*HEADER    HYDROLASE                               28-JAN-03   1NSO              
*TITLE     FOLDED MONOMER OF PROTEASE FROM MASON-PFIZER MONKEY VIRUS             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEASE;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 EC: 3.4.23.-;                                                        
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SIMIAN RETROVIRUS SRV-1;                        
*SOURCE   3 GENE: PRT;                                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
*KEYWDS    M-PMV, PROTEASE, VIRUS MATURATION, FOLDED MONOMER                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    V.VEVERKA, H.BAUEROVA, A.ZABRANSKY, T.RUML, I.PICHOVA,                
*AUTHOR   2 R.HRABAL                                                             
*REVDAT   1   18-FEB-03 1NSO    0                                                
 ASSI {    1}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HH2 ))
      3.400     1.500     1.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.63294E-02 ppm1     10.188 ppm2      6.919 CV     1
 ASSI {    2}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HB1 ))
      3.200     3.200     2.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.57516E-02 ppm1     10.189 ppm2      3.036 CV     1
 ASSI {    3}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 45   and name HG12))
      4.900     3.000     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.56484E-03 ppm1     10.191 ppm2      1.135 CV     1
 ASSI {    4}
   (( segid "    " and resid 43   and name HE1 ))
   (  segid "    " and resid 45   and name HG2%)
      2.500     0.800     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.91568E-02 ppm1     10.188 ppm2      0.444 CV     1
 ASSI {    5}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.13261E-02 ppm1     10.187 ppm2      7.915 CV     1
 ASSI {    6}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HZ2 ))
      3.300     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1     10.188 ppm2      7.395 CV     1
 ASSI {    7}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HD1 ))
      3.300     1.400     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.19366E-02 ppm1     10.187 ppm2      7.134 CV     1
 ASSI {    8}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 45   and name HA  ))
      4.500     2.700     1.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.86078E-04 ppm1     10.191 ppm2      4.904 CV     1
 ASSI {    9}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 44   and name HA  ))
      4.900     3.000     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.49457E-03 ppm1     10.186 ppm2      4.685 CV     1
 ASSI {   10}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 39   and name HB2 ))
      4.500     2.700     1.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.56484E-03 ppm1     10.191 ppm2      3.023 CV     1
 ASSI {   11}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 45   and name HB  ))
      4.700     2.800     1.300 peak    11 spectrum    1 weight  0.10000E+01 volume  0.87908E-03 ppm1     10.188 ppm2      1.426 CV     1
 ASSI {   12}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 45   and name HN  ))
      5.900     4.300     0.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.15444E-03 ppm1     10.193 ppm2      8.450 CV     1
 ASSI {   13}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 64   and name HA  ))
      5.600     3.900     0.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.17405E-03 ppm1     10.180 ppm2      4.197 CV     1
 ASSI {   14}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 40   and name HD2 ))
      4.400     2.500     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.43908E-03 ppm1     10.180 ppm2      3.425 CV     1
 ASSI {   15}
   (( segid "    " and resid 1    and name HE1 ))
   (( segid "    " and resid 1    and name HZ2 ))
      3.600     1.600     1.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.13235E-02 ppm1     10.040 ppm2      7.354 CV     1
 ASSI {   16}
   (( segid "    " and resid 1    and name HE1 ))
   (( segid "    " and resid 1    and name HD1 ))
      2.900     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.52510E-02 ppm1     10.045 ppm2      7.150 CV     1
 ASSI {   17}
   (( segid "    " and resid 15   and name HE1 ))
   (( segid "    " and resid 15   and name HZ2 ))
      3.100     1.200     1.200 peak    17 spectrum    1 weight  0.10000E+01 volume  0.21752E-02 ppm1     10.122 ppm2      7.363 CV     1
 ASSI {   18}
   (( segid "    " and resid 15   and name HE1 ))
   (( segid "    " and resid 15   and name HD1 ))
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.80850E-02 ppm1     10.126 ppm2      6.724 CV     1
 ASSI {   20}
   (( segid "    " and resid 15   and name HE1 ))
   (( segid "    " and resid 16   and name HA  ))
      5.900     4.400     0.100 peak    20 spectrum    1 weight  0.10000E+01 volume  0.11856E-03 ppm1     10.127 ppm2      5.315 CV     1
 ASSI {   21}
   (( segid "    " and resid 15   and name HE1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.52006E-03 ppm1     10.129 ppm2      4.092 CV     1
 ASSI {   22}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 45   and name HN  ))
      4.500     2.700     1.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.56484E-03 ppm1     10.191 ppm2      8.431 CV     1
 ASSI {   23}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 66   and name HN  ))
      4.500     2.700     1.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.56484E-03 ppm1     10.191 ppm2      7.363 CV     1
 ASSI {   24}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.500     2.700     1.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.37346E-04 ppm1      8.663 ppm2      5.325 CV     1
 ASSI {   25}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      4.500     2.700     1.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.37346E-04 ppm1      8.663 ppm2      1.004 CV     1
 ASSI {   26}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 78   and name HA1 ))
      4.500     2.700     1.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.37346E-04 ppm1      8.663 ppm2      3.738 CV     1
 ASSI {   27}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      4.300     2.300     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.31529E-03 ppm1      8.959 ppm2      4.919 CV     1
 ASSI {   28}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.900     1.900     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.43497E-03 ppm1      8.946 ppm2      2.139 CV     1
 ASSI {   29}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      5.800     4.200     0.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.83725E-04 ppm1      8.951 ppm2      1.409 CV     1
 ASSI {   30}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.300     1.400     1.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.17837E-02 ppm1      8.950 ppm2      0.868 CV     1
 ASSI {   31}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 98   and name HD1%)
      4.000     2.000     2.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.58274E-03 ppm1      8.944 ppm2      0.618 CV     1
 ASSI {   32}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.400     1.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.10242E-02 ppm1      8.943 ppm2      3.983 CV     1
 ASSI {   33}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.24340E-02 ppm1      8.941 ppm2      2.947 CV     1
 ASSI {   34}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     5.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.91699E-04 ppm1      8.944 ppm2      8.516 CV     1
 ASSI {   35}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.300     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.12072E-01 ppm1      9.347 ppm2      4.867 CV     1
 ASSI {   36}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.900     1.100     1.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.19843E-02 ppm1      9.348 ppm2      4.649 CV     1
 ASSI {   37}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      5.600     3.900     0.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.28131E-03 ppm1      9.345 ppm2      4.082 CV     1
 ASSI {   38}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      3.800     1.800     1.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.91765E-03 ppm1      9.348 ppm2      3.497 CV     1
 ASSI {   39}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
      2.500     0.800     0.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.50150E-02 ppm1      9.349 ppm2      1.813 CV     1
 ASSI {   40}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      3.100     1.200     1.200 peak    40 spectrum    1 weight  0.10000E+01 volume  0.46111E-02 ppm1      9.346 ppm2      1.423 CV     1
 ASSI {   41}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 93   and name HB1 )
      4.500     2.700     1.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.83725E-04 ppm1      8.951 ppm2      3.030 CV     1
 ASSI {   42}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      3.300     1.400     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.50405E-02 ppm1      9.346 ppm2      0.871 CV     1
 ASSI {   43}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.000     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.25784E-02 ppm1      9.350 ppm2      0.551 CV     1
 ASSI {   44}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 67   and name HE% )
      3.300     3.300     2.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.70719E-03 ppm1      9.348 ppm2      6.725 CV     1
 ASSI {   45}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     5.700     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.37346E-04 ppm1      8.663 ppm2      3.417 CV     1
 ASSI {   46}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 15   and name HD1 ))
      6.000     5.100     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.92418E-04 ppm1      8.659 ppm2      6.736 CV     1
 ASSI {   47}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HD1 ))
      5.000     3.100     1.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.65353E-03 ppm1      8.664 ppm2      6.436 CV     1
 ASSI {   48}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.41189E-02 ppm1      8.663 ppm2      6.218 CV     1
 ASSI {   49}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.13523E-02 ppm1      8.660 ppm2      5.873 CV     1
 ASSI {   50}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      5.000     3.100     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.17405E-03 ppm1      8.663 ppm2      5.283 CV     1
 ASSI {   51}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.400     0.700     0.700 peak    51 spectrum    1 weight  0.10000E+01 volume  0.68366E-02 ppm1      8.662 ppm2      5.012 CV     1
 ASSI {   52}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.600     2.600     1.400 peak    52 spectrum    1 weight  0.10000E+01 volume  0.47791E-03 ppm1      8.659 ppm2      4.022 CV     1
 ASSI {   53}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.500     2.700     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.37346E-04 ppm1      8.663 ppm2      6.253 CV     1
 ASSI {   54}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      3.500     1.500     1.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      8.658 ppm2      3.080 CV     1
 ASSI {   55}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak    55 spectrum    1 weight  0.10000E+01 volume  0.21059E-02 ppm1      8.660 ppm2      2.560 CV     1
 ASSI {   56}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      3.500     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.77386E-02 ppm1      8.661 ppm2      0.941 CV     1
 ASSI {   57}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 79   and name HD2%)
      4.100     2.200     1.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.11915E-02 ppm1      8.661 ppm2      0.623 CV     1
 ASSI {   58}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.500     2.700     1.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.31765E-03 ppm1      8.745 ppm2      4.298 CV     1
 ASSI {   59}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.800     3.800     2.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.31765E-03 ppm1      8.745 ppm2      4.044 CV     1
 ASSI {   60}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak    60 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      8.746 ppm2      5.214 CV     1
 ASSI {   61}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 22   and name HA  ))
      4.500     2.700     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.70915E-02 ppm1      9.562 ppm2      5.423 CV     1
 ASSI {   62}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.87320E-02 ppm1      8.751 ppm2      4.715 CV     1
 ASSI {   63}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      3.600     1.600     1.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.83791E-03 ppm1      8.745 ppm2      3.765 CV     1
 ASSI {   64}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.700     1.700     1.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.34372E-02 ppm1      8.749 ppm2      1.403 CV     1
 ASSI {   65}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      3.700     1.700     1.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.10183E-02 ppm1      8.748 ppm2      1.039 CV     1
 ASSI {   66}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      3.400     1.400     1.400 peak    66 spectrum    1 weight  0.10000E+01 volume  0.41856E-02 ppm1      8.746 ppm2      0.766 CV     1
 ASSI {   67}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.600     2.600     1.400 peak    67 spectrum    1 weight  0.10000E+01 volume  0.53366E-03 ppm1      8.745 ppm2      0.255 CV     1
 ASSI {   68}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 101  and name HE% )
      5.000     3.100     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.18954E-03 ppm1      9.454 ppm2      1.425 CV     1
 ASSI {   69}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     5.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10993E-03 ppm1      9.965 ppm2      2.018 CV     1
 ASSI {   70}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 40   and name HB1 ))
      5.300     3.500     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.41065E-03 ppm1      9.960 ppm2      0.159 CV     1
 ASSI {   71}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 101  and name HG1 ))
      4.800     2.800     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.28869E-03 ppm1      9.454 ppm2      1.858 CV     1
 ASSI {   72}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 80   and name HG2%)
      4.000     2.000     2.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.27105E-02 ppm1      9.453 ppm2      0.860 CV     1
 ASSI {   73}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 97   and name HD1%)
      4.700     2.800     1.300 peak    73 spectrum    1 weight  0.10000E+01 volume  0.16418E-03 ppm1      9.453 ppm2      0.555 CV     1
 ASSI {   74}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.700     1.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.70915E-02 ppm1      9.562 ppm2      5.416 CV     1
 ASSI {   75}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.500     2.700     1.500 peak    75 spectrum    1 weight  0.10000E+01 volume  0.91830E-03 ppm1      9.072 ppm2      5.374 CV     1
 ASSI {   76}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 93   and name HZ2 ))
      3.200     1.300     1.300 peak    76 spectrum    1 weight  0.10000E+01 volume  0.16941E-02 ppm1      9.447 ppm2      7.443 CV     1
 ASSI {   77}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 93   and name HD1 ))
      2.900     1.100     1.100 peak    77 spectrum    1 weight  0.10000E+01 volume  0.21255E-02 ppm1      9.446 ppm2      6.948 CV     1
 ASSI {   78}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 93   and name HZ3 ))
      4.100     2.100     1.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.89542E-03 ppm1      9.452 ppm2      6.679 CV     1
 ASSI {   79}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.500     2.700     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.91830E-03 ppm1      9.072 ppm2      6.244 CV     1
 ASSI {   80}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 78   and name HA1 ))
      3.100     3.100     2.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11091E-01 ppm1      9.447 ppm2      3.775 CV     1
 ASSI {   81}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD% ))
      4.500     2.700     1.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.29928E-04 ppm1      8.242 ppm2      3.032 CV     1
 ASSI {   82}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      4.500     2.700     1.500 peak    82 spectrum    1 weight  0.10000E+01 volume  0.29928E-04 ppm1      8.242 ppm2      3.062 CV     1
 ASSI {   83}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 97   and name HB1 ))
      5.300     3.400     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.28856E-03 ppm1      9.446 ppm2      1.546 CV     1
 ASSI {   84}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 97   and name HD2%)
      5.000     3.100     1.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.52118E-03 ppm1      9.446 ppm2     -0.484 CV     1
 ASSI {   85}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 97   and name HG  ))
      4.100     2.100     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.50608E-03 ppm1      9.434 ppm2      1.138 CV     1
 ASSI {   86}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 88   and name HA  )
      4.500     2.700     1.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19915E-02 ppm1      7.715 ppm2      4.546 CV     1
 ASSI {   87}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      5.000     3.100     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.51712E-03 ppm1      7.720 ppm2      1.289 CV     1
 ASSI {   88}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.300     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.74314E-02 ppm1      7.717 ppm2      0.840 CV     1
 ASSI {   89}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      3.700     1.700     1.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.19915E-02 ppm1      7.715 ppm2      0.105 CV     1
 ASSI {   90}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 84   and name HG1%)
      6.000     5.800     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.31379E-04 ppm1      7.718 ppm2     -0.640 CV     1
 ASSI {   91}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      5.600     3.900     0.400 peak    91 spectrum    1 weight  0.10000E+01 volume  0.13712E-03 ppm1      7.712 ppm2      5.002 CV     1
 ASSI {   92}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.37843E-02 ppm1      7.713 ppm2      3.783 CV     1
 ASSI {   93}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HG2 ))
      6.000     6.000     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.32542E-04 ppm1      7.712 ppm2      2.492 CV     1
 ASSI {   94}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.300     1.400     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.28974E-02 ppm1      7.720 ppm2      1.818 CV     1
 ASSI {   95}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HZ2 ))
      2.900     1.000     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.37327E-02 ppm1      9.957 ppm2      7.397 CV     1
 ASSI {   96}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HD1 ))
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.53451E-02 ppm1      9.959 ppm2      6.626 CV     1
 ASSI {   97}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HB2 ))
      4.300     2.300     1.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.84967E-03 ppm1      9.963 ppm2      2.903 CV     1
 ASSI {   98}
   (( segid "    " and resid 39   and name HE1 ))
   (  segid "    " and resid 84   and name HG1%)
      5.200     3.400     0.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.33758E-03 ppm1      9.965 ppm2     -0.651 CV     1
 ASSI {   99}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 43   and name HA  ))
      4.200     2.200     1.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.67516E-03 ppm1      9.951 ppm2      5.332 CV     1
 ASSI {  100}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.400     1.400 peak   100 spectrum    1 weight  0.10000E+01 volume  0.25242E-02 ppm1      9.955 ppm2      4.693 CV     1
 ASSI {  101}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.900     1.900     1.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.87712E-03 ppm1      9.959 ppm2      1.336 CV     1
 ASSI {  102}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 40   and name HG2 ))
      6.000     5.900     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.99346E-04 ppm1      9.951 ppm2      0.602 CV     1
 ASSI {  103}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 79   and name HA  ))
      5.100     3.300     0.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.18085E-03 ppm1      9.455 ppm2      5.860 CV     1
 ASSI {  104}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      4.500     2.700     1.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.31765E-03 ppm1      8.745 ppm2      4.298 CV     1
 ASSI {  105}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     5.100     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.88431E-04 ppm1      7.716 ppm2      4.233 CV     1
 ASSI {  106}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      5.300     3.600     0.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.42255E-03 ppm1      7.720 ppm2      2.140 CV     1
 ASSI {  107}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.100     0.500     0.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.10131E-01 ppm1      7.711 ppm2      4.493 CV     1
 ASSI {  108}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 84   and name HB  ))
      5.600     3.900     0.400 peak   108 spectrum    1 weight  0.10000E+01 volume  0.12889E-03 ppm1      7.710 ppm2      1.040 CV     1
 ASSI {  109}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 43   and name HN  ))
      5.100     3.200     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.15333E-03 ppm1      9.949 ppm2      7.922 CV     1
 ASSI {  110}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      4.500     2.500     1.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.39052E-03 ppm1      8.806 ppm2      0.153 CV     1
 ASSI {  111}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      4.100     2.100     1.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.11647E-02 ppm1      8.799 ppm2      7.930 CV     1
 ASSI {  112}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.37020E-02 ppm1      8.801 ppm2      5.055 CV     1
 ASSI {  113}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.000     0.500     0.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.17163E-01 ppm1      8.803 ppm2      4.602 CV     1
 ASSI {  114}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 89   and name HD1 ))
      6.000     6.000     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.32908E-04 ppm1      8.795 ppm2      3.699 CV     1
 ASSI {  115}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.800     1.900     1.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.13575E-02 ppm1      8.803 ppm2      2.837 CV     1
 ASSI {  116}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
      3.900     1.900     1.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.55608E-03 ppm1      8.805 ppm2      1.981 CV     1
 ASSI {  117}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      2.600     0.900     0.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.41412E-02 ppm1      8.801 ppm2      1.734 CV     1
 ASSI {  118}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      3.300     1.300     1.300 peak   118 spectrum    1 weight  0.10000E+01 volume  0.19993E-02 ppm1      8.806 ppm2      1.186 CV     1
 ASSI {  119}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      2.800     1.000     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.43431E-02 ppm1      8.801 ppm2      0.673 CV     1
 ASSI {  120}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      4.200     2.200     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.90196E-03 ppm1      8.802 ppm2      0.329 CV     1
 ASSI {  121}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 84   and name HG1%)
      3.700     1.700     1.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.13098E-02 ppm1      8.801 ppm2     -0.638 CV     1
 ASSI {  122}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 82   and name HB1 )
      4.500     2.700     1.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.39052E-03 ppm1      8.806 ppm2      2.006 CV     1
 ASSI {  123}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 91   and name HA  )
      4.500     2.700     1.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.39052E-03 ppm1      8.806 ppm2      4.532 CV     1
 ASSI {  124}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     5.000     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.11007E-03 ppm1      8.539 ppm2      5.355 CV     1
 ASSI {  125}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.98627E-02 ppm1      8.531 ppm2      4.785 CV     1
 ASSI {  126}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   126 spectrum    1 weight  0.10000E+01 volume  0.20562E-02 ppm1      8.531 ppm2      4.016 CV     1
 ASSI {  127}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.18660E-02 ppm1      8.529 ppm2      2.051 CV     1
 ASSI {  128}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      2.800     2.800     3.200 peak   128 spectrum    1 weight  0.10000E+01 volume  0.13621E-01 ppm1      8.537 ppm2      1.555 CV     1
 ASSI {  129}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      5.000     3.200     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.34673E-03 ppm1      8.528 ppm2      1.110 CV     1
 ASSI {  130}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.13379E-01 ppm1      8.119 ppm2      4.221 CV     1
 ASSI {  131}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HB% )
      2.800     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.85359E-02 ppm1      8.117 ppm2      1.299 CV     1
 ASSI {  132}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.200     2.200     1.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.65163E-03 ppm1      8.115 ppm2      1.083 CV     1
 ASSI {  133}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      5.800     4.200     0.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.13098E-03 ppm1      8.046 ppm2      5.239 CV     1
 ASSI {  134}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 45   and name HB  ))
      4.500     2.700     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.67516E-03 ppm1      9.951 ppm2      1.399 CV     1
 ASSI {  135}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.200     1.200 peak   135 spectrum    1 weight  0.10000E+01 volume  0.23673E-02 ppm1      8.050 ppm2      4.101 CV     1
 ASSI {  136}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     0.700     0.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.11529E-01 ppm1      8.043 ppm2      3.845 CV     1
 ASSI {  137}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HD2 ))
      5.100     3.300     0.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.36157E-03 ppm1      8.046 ppm2      3.560 CV     1
 ASSI {  138}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG1 ))
      3.900     1.900     1.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.82680E-03 ppm1      8.045 ppm2      2.219 CV     1
 ASSI {  139}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.700     0.900     0.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.42464E-02 ppm1      8.041 ppm2      1.812 CV     1
 ASSI {  140}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      6.000     5.700     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.39013E-04 ppm1      8.035 ppm2      1.530 CV     1
 ASSI {  141}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HA2 ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.35967E-04 ppm1      8.325 ppm2      3.229 CV     1
 ASSI {  142}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.900     1.900     1.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.51144E-03 ppm1      8.325 ppm2      2.744 CV     1
 ASSI {  143}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 97   and name HD2%)
      3.900     1.900     1.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.55843E-03 ppm1      8.325 ppm2     -0.484 CV     1
 ASSI {  144}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.500     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.77451E-02 ppm1      8.195 ppm2      4.401 CV     1
 ASSI {  145}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      4.300     2.300     1.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.28882E-03 ppm1      8.200 ppm2      2.495 CV     1
 ASSI {  146}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
      4.200     2.200     1.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.14752E-02 ppm1      8.196 ppm2      1.964 CV     1
 ASSI {  147}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HB% )
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.69542E-02 ppm1      8.194 ppm2      1.322 CV     1
 ASSI {  148}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 104  and name HE% )
      5.200     3.400     0.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.19301E-03 ppm1      8.193 ppm2      1.064 CV     1
 ASSI {  149}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.500     2.700     1.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.29928E-04 ppm1      8.242 ppm2      2.755 CV     1
 ASSI {  150}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      4.500     2.700     1.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.96209E-04 ppm1      8.038 ppm2      3.809 CV     1
 ASSI {  151}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      5.500     3.800     0.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.96209E-04 ppm1      8.038 ppm2      1.038 CV     1
 ASSI {  152}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.800     1.800     1.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      8.039 ppm2      0.714 CV     1
 ASSI {  153}
   (( segid "    " and resid 70   and name HE1 ))
   (  segid "    " and resid 14   and name HD1%)
      6.000     5.900     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.14908E-03 ppm1      9.573 ppm2     -0.454 CV     1
 ASSI {  154}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.400     2.500     1.600 peak   154 spectrum    1 weight  0.10000E+01 volume  0.73072E-03 ppm1      8.743 ppm2      7.767 CV     1
 ASSI {  155}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.100     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.14967E-01 ppm1      8.753 ppm2      4.487 CV     1
 ASSI {  156}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      4.100     2.100     1.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.14373E-02 ppm1      8.747 ppm2      4.074 CV     1
 ASSI {  157}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.400     3.400     2.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1      8.746 ppm2      1.776 CV     1
 ASSI {  158}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      2.300     0.700     0.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.10523E-01 ppm1      8.750 ppm2      1.434 CV     1
 ASSI {  159}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.100     1.200     1.200 peak   159 spectrum    1 weight  0.10000E+01 volume  0.15072E-02 ppm1      8.745 ppm2      1.103 CV     1
 ASSI {  160}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.500     1.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.32902E-02 ppm1      8.740 ppm2      0.711 CV     1
 ASSI {  161}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      6.000     6.000     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.38497E-04 ppm1      8.324 ppm2      5.049 CV     1
 ASSI {  162}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.500     2.700     1.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.73072E-03 ppm1      8.743 ppm2      4.465 CV     1
 ASSI {  163}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.500     1.500     1.500 peak   163 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      8.326 ppm2      4.057 CV     1
 ASSI {  164}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.23359E-02 ppm1      8.325 ppm2      3.780 CV     1
 ASSI {  166}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      5.500     3.800     0.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.18627E-03 ppm1      8.323 ppm2      1.852 CV     1
 ASSI {  167}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid  3   and name HN  ))
      4.500     2.700     1.500 peak   167 spectrum    1 weight  0.10000E+01 volume  0.90784E-04 ppm1      8.913 ppm2      8.068 CV     1
 ASSI {  168}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.300     1.300     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.61046E-02 ppm1      8.327 ppm2      1.155 CV     1
 ASSI {  169}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      3.700     1.700     1.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.21810E-02 ppm1      8.325 ppm2      0.853 CV     1
 ASSI {  170}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 97   and name HD1%)
      4.300     2.300     1.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.12085E-02 ppm1      8.325 ppm2      0.536 CV     1
 ASSI {  171}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 98   and name HD2%)
      5.200     3.300     0.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.29575E-03 ppm1      8.327 ppm2     -0.245 CV     1
 ASSI {  172}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.800     3.800     2.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.29477E-03 ppm1      8.198 ppm2      7.728 CV     1
 ASSI {  173}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      5.000     3.100     1.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.61967E-03 ppm1      7.934 ppm2      3.857 CV     1
 ASSI {  174}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.500     2.700     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.90784E-04 ppm1      8.913 ppm2      2.734 CV     1
 ASSI {  175}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.500     2.700     1.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.10307E-03 ppm1      7.982 ppm2      4.143 CV     1
 ASSI {  176}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB% ))
      4.500     2.700     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10307E-03 ppm1      7.982 ppm2      1.997 CV     1
 ASSI {  177}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     3.000     3.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.70915E-02 ppm1      9.562 ppm2      8.359 CV     1
 ASSI {  178}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.500     2.700     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.10307E-03 ppm1      7.982 ppm2      8.901 CV     1
 ASSI {  179}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 70   and name HZ2 ))
      3.600     1.600     1.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.83660E-03 ppm1      9.561 ppm2      6.958 CV     1
 ASSI {  180}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 70   and name HD1 ))
      2.900     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.27843E-02 ppm1      9.565 ppm2      6.440 CV     1
 ASSI {  181}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.500     2.700     1.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.72745E-02 ppm1      8.096 ppm2      8.925 CV     1
 ASSI {  182}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 14   and name HA  ))
      4.600     2.700     1.400 peak   182 spectrum    1 weight  0.10000E+01 volume  0.85490E-03 ppm1      9.562 ppm2      4.708 CV     1
 ASSI {  183}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 21   and name HB1 ))
      4.200     2.200     1.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.23085E-03 ppm1      9.568 ppm2      2.959 CV     1
 ASSI {  184}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 23   and name HA2 ))
      4.300     2.300     1.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.17013E-02 ppm1      9.564 ppm2      2.657 CV     1
 ASSI {  185}
   (( segid "    " and resid 70   and name HE1 ))
   (  segid "    " and resid 20   and name HE% )
      5.600     3.900     0.400 peak   185 spectrum    1 weight  0.10000E+01 volume  0.34248E-03 ppm1      9.568 ppm2      1.731 CV     1
 ASSI {  186}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.500     2.700     1.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.72745E-02 ppm1      8.096 ppm2      8.908 CV     1
 ASSI {  187}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 12   and name HG  ))
      3.800     1.900     1.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.19712E-02 ppm1      9.565 ppm2      1.070 CV     1
 ASSI {  188}
   (( segid "    " and resid 70   and name HE1 ))
   (  segid "    " and resid 12   and name HD1%)
      2.900     2.900     3.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.14353E-02 ppm1      9.561 ppm2      0.784 CV     1
 ASSI {  189}
   (( segid "    " and resid 70   and name HE1 ))
   (  segid "    " and resid 14   and name HD2%)
      4.000     2.000     2.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.17020E-02 ppm1      9.560 ppm2      0.289 CV     1
 ASSI {  190}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 23   and name HA1 ))
      4.400     2.400     1.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.65189E-03 ppm1      9.554 ppm2      4.124 CV     1
 ASSI {  191}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.800     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.21216E-02 ppm1      9.087 ppm2      7.682 CV     1
 ASSI {  192}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      1.900     0.500     0.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.19235E-01 ppm1      9.090 ppm2      4.479 CV     1
 ASSI {  193}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.500     2.700     1.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.81961E-03 ppm1      7.385 ppm2      1.434 CV     1
 ASSI {  194}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      5.700     4.000     0.300 peak   194 spectrum    1 weight  0.10000E+01 volume  0.10144E-03 ppm1      9.086 ppm2      3.068 CV     1
 ASSI {  195}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HE1 ))
      3.900     1.900     1.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.83921E-03 ppm1      9.086 ppm2      2.820 CV     1
 ASSI {  196}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.200     0.600     0.600 peak   196 spectrum    1 weight  0.10000E+01 volume  0.12824E-01 ppm1      9.088 ppm2      1.770 CV     1
 ASSI {  197}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      4.800     2.800     1.200 peak   197 spectrum    1 weight  0.10000E+01 volume  0.44843E-03 ppm1      9.088 ppm2      1.457 CV     1
 ASSI {  198}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.10856E-01 ppm1      9.088 ppm2      1.218 CV     1
 ASSI {  199}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 95   and name HD1 ))
      4.700     2.700     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.81961E-03 ppm1      7.385 ppm2      3.248 CV     1
 ASSI {  200}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      4.300     2.300     1.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.12608E-02 ppm1      9.089 ppm2      0.321 CV     1
 ASSI {  201}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 84   and name HG1%)
      6.000     6.000     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.29157E-04 ppm1      9.094 ppm2     -0.634 CV     1
 ASSI {  202}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 94   and name HA2 ))
      4.500     2.700     1.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.81961E-03 ppm1      7.385 ppm2      3.241 CV     1
 ASSI {  203}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      5.000     3.100     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.19850E-03 ppm1      9.079 ppm2      2.511 CV     1
 ASSI {  204}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.500     2.700     1.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.81961E-03 ppm1      7.385 ppm2      2.635 CV     1
 ASSI {  205}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      4.300     2.400     1.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.93137E-03 ppm1      8.867 ppm2      3.766 CV     1
 ASSI {  206}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.800     1.800     1.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.86601E-03 ppm1      8.868 ppm2      2.998 CV     1
 ASSI {  207}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.800     2.800     1.200 peak   207 spectrum    1 weight  0.10000E+01 volume  0.44307E-03 ppm1      8.865 ppm2      1.575 CV     1
 ASSI {  208}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.800     2.900     1.200 peak   208 spectrum    1 weight  0.10000E+01 volume  0.46732E-03 ppm1      8.867 ppm2     -0.456 CV     1
 ASSI {  209}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      5.200     3.400     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.33497E-03 ppm1      8.857 ppm2      8.358 CV     1
 ASSI {  210}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 70   and name HZ2 ))
      3.900     1.900     1.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.70131E-03 ppm1      8.856 ppm2      6.954 CV     1
 ASSI {  211}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.000     0.500     0.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.14993E-01 ppm1      8.861 ppm2      5.221 CV     1
 ASSI {  212}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.36974E-02 ppm1      8.861 ppm2      4.685 CV     1
 ASSI {  213}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.800     2.900     1.200 peak   213 spectrum    1 weight  0.10000E+01 volume  0.37967E-03 ppm1      8.859 ppm2      4.059 CV     1
 ASSI {  214}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.39680E-02 ppm1      8.859 ppm2      1.302 CV     1
 ASSI {  215}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      4.300     2.400     1.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.31667E-03 ppm1      8.853 ppm2      1.030 CV     1
 ASSI {  216}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      2.700     0.900     0.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.81765E-02 ppm1      8.860 ppm2      0.749 CV     1
 ASSI {  217}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      3.900     1.900     1.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.10895E-02 ppm1      8.859 ppm2      0.285 CV     1
 ASSI {  218}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      5.800     4.200     0.200 peak   218 spectrum    1 weight  0.10000E+01 volume  0.99673E-04 ppm1      8.738 ppm2      5.040 CV     1
 ASSI {  219}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HZ3 ))
      3.700     1.700     1.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.27020E-02 ppm1      7.935 ppm2      6.623 CV     1
 ASSI {  220}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.42484E-02 ppm1      7.934 ppm2      5.353 CV     1
 ASSI {  221}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   221 spectrum    1 weight  0.10000E+01 volume  0.38170E-02 ppm1      7.936 ppm2      4.648 CV     1
 ASSI {  222}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     1.700     1.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.10033E-02 ppm1      7.936 ppm2      4.331 CV     1
 ASSI {  223}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     2.900     3.100 peak   223 spectrum    1 weight  0.10000E+01 volume  0.15425E-02 ppm1      7.933 ppm2      4.101 CV     1
 ASSI {  224}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      3.100     3.100     2.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.10725E-02 ppm1      7.937 ppm2      3.429 CV     1
 ASSI {  225}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     2.300     3.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.14451E-01 ppm1      7.938 ppm2      3.091 CV     1
 ASSI {  226}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      4.500     2.500     1.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.96667E-03 ppm1      7.938 ppm2      2.731 CV     1
 ASSI {  227}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.500     1.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.12340E-02 ppm1      7.936 ppm2      1.388 CV     1
 ASSI {  228}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.000     2.000     2.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.27732E-02 ppm1      7.935 ppm2      0.161 CV     1
 ASSI {  229}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HZ2 ))
      4.100     2.100     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.84771E-03 ppm1      7.929 ppm2      7.395 CV     1
 ASSI {  230}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.600     3.600     2.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.38961E-03 ppm1      7.931 ppm2      1.883 CV     1
 ASSI {  231}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.700     1.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.33497E-03 ppm1      8.857 ppm2      8.872 CV     1
 ASSI {  232}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      5.600     3.900     0.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.17889E-03 ppm1      7.925 ppm2      0.447 CV     1
 ASSI {  233}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 25   and name HD1%))
      4.500     2.700     1.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.33497E-03 ppm1      8.857 ppm2      0.809 CV     1
 ASSI {  235}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   235 spectrum    1 weight  0.10000E+01 volume  0.30157E-02 ppm1      7.760 ppm2      4.721 CV     1
 ASSI {  236}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.900     1.000     1.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.24484E-02 ppm1      7.755 ppm2      2.997 CV     1
 ASSI {  237}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.200     1.300     1.300 peak   237 spectrum    1 weight  0.10000E+01 volume  0.50640E-02 ppm1      7.754 ppm2      3.460 CV     1
 ASSI {  238}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      5.500     3.700     0.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.33980E-04 ppm1      7.751 ppm2      2.514 CV     1
 ASSI {  239}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HD1 ))
      4.500     2.500     1.500 peak   239 spectrum    1 weight  0.10000E+01 volume  0.11869E-02 ppm1      7.752 ppm2      1.497 CV     1
 ASSI {  240}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      3.700     1.800     1.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.15033E-02 ppm1      7.750 ppm2      1.186 CV     1
 ASSI {  241}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      4.000     2.000     2.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.13837E-02 ppm1      7.752 ppm2      0.118 CV     1
 ASSI {  243}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     3.400     2.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.53719E-03 ppm1      7.385 ppm2      4.868 CV     1
 ASSI {  244}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      4.400     4.400     1.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.73595E-03 ppm1      7.387 ppm2      1.860 CV     1
 ASSI {  245}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      5.500     3.800     0.500 peak   245 spectrum    1 weight  0.10000E+01 volume  0.32144E-04 ppm1      7.396 ppm2      1.144 CV     1
 ASSI {  246}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 92   and name HD1%)
      5.100     3.300     0.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.30000E-03 ppm1      7.386 ppm2      0.708 CV     1
 ASSI {  247}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak   247 spectrum    1 weight  0.10000E+01 volume  0.39457E-02 ppm1      7.385 ppm2      4.509 CV     1
 ASSI {  248}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      3.100     1.200     1.200 peak   248 spectrum    1 weight  0.10000E+01 volume  0.20843E-02 ppm1      7.385 ppm2      4.106 CV     1
 ASSI {  249}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.600     1.600     1.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.10516E-02 ppm1      7.382 ppm2      3.809 CV     1
 ASSI {  250}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      3.400     1.400     1.400 peak   250 spectrum    1 weight  0.10000E+01 volume  0.32039E-02 ppm1      7.384 ppm2      3.597 CV     1
 ASSI {  251}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.500     2.700     1.500 peak   251 spectrum    1 weight  0.10000E+01 volume  0.24484E-02 ppm1      7.755 ppm2      1.505 CV     1
 ASSI {  252}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.700     3.700     2.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.10026E-02 ppm1      7.382 ppm2      2.917 CV     1
 ASSI {  253}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      5.200     3.300     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.21961E-03 ppm1      7.388 ppm2      2.166 CV     1
 ASSI {  254}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      2.400     0.700     0.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.12837E-01 ppm1      7.383 ppm2      1.370 CV     1
 ASSI {  255}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     5.000     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.12791E-03 ppm1      9.620 ppm2      4.433 CV     1
 ASSI {  256}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.500     2.700     1.500 peak   256 spectrum    1 weight  0.10000E+01 volume  0.24484E-02 ppm1      7.755 ppm2      1.812 CV     1
 ASSI {  257}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.200     2.200     1.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.90327E-03 ppm1      9.613 ppm2      2.528 CV     1
 ASSI {  258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.000     2.000     2.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.19340E-02 ppm1      9.611 ppm2      1.136 CV     1
 ASSI {  259}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      6.000     4.600     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.10797E-03 ppm1      8.865 ppm2      7.424 CV     1
 ASSI {  260}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.500     2.700     1.500 peak   260 spectrum    1 weight  0.10000E+01 volume  0.44183E-03 ppm1      8.899 ppm2      3.033 CV     1
 ASSI {  261}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.500     2.600     1.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.10176E-03 ppm1      7.933 ppm2      2.340 CV     1
 ASSI {  262}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.72745E-02 ppm1      8.096 ppm2      4.152 CV     1
 ASSI {  263}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      4.500     2.700     1.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.44183E-03 ppm1      8.899 ppm2      2.808 CV     1
 ASSI {  264}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.800     2.900     1.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.19288E-03 ppm1      9.615 ppm2      2.273 CV     1
 ASSI {  265}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.14373E-02 ppm1      9.612 ppm2      8.957 CV     1
 ASSI {  266}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.800     1.800     1.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.95948E-03 ppm1      9.611 ppm2      8.558 CV     1
 ASSI {  267}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      4.300     2.400     1.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.88301E-03 ppm1      9.616 ppm2      6.170 CV     1
 ASSI {  268}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.44118E-02 ppm1      9.608 ppm2      5.299 CV     1
 ASSI {  269}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      5.200     3.300     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.33791E-03 ppm1      9.608 ppm2      5.023 CV     1
 ASSI {  270}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.500     2.700     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.81895E-03 ppm1      8.603 ppm2      4.638 CV     1
 ASSI {  271}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.50928E-02 ppm1      9.609 ppm2      4.159 CV     1
 ASSI {  272}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.17948E-02 ppm1      9.612 ppm2      2.894 CV     1
 ASSI {  273}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 67   and name HB2 )
      4.500     2.700     1.500 peak   273 spectrum    1 weight  0.10000E+01 volume  0.16928E-02 ppm1      9.399 ppm2      2.836 CV     1
 ASSI {  274}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      4.100     2.100     1.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.11673E-02 ppm1      9.607 ppm2      0.823 CV     1
 ASSI {  275}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.19673E-02 ppm1      9.422 ppm2      8.856 CV     1
 ASSI {  276}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      4.200     2.200     1.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      9.421 ppm2      7.477 CV     1
 ASSI {  277}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 70   and name HD1 ))
      5.200     3.400     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.19353E-03 ppm1      9.425 ppm2      6.716 CV     1
 ASSI {  278}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.600     1.600     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.14020E-02 ppm1      9.423 ppm2      5.356 CV     1
 ASSI {  279}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.400     1.400 peak   279 spectrum    1 weight  0.10000E+01 volume  0.11961E-02 ppm1      9.424 ppm2      4.676 CV     1
 ASSI {  280}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.300     0.600     0.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.79346E-02 ppm1      9.423 ppm2      4.023 CV     1
 ASSI {  281}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     5.100     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.16941E-03 ppm1      9.429 ppm2      3.273 CV     1
 ASSI {  282}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.900     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.35667E-02 ppm1      9.423 ppm2      2.987 CV     1
 ASSI {  283}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      4.600     2.700     1.400 peak   283 spectrum    1 weight  0.10000E+01 volume  0.65359E-03 ppm1      9.418 ppm2      3.756 CV     1
 ASSI {  284}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.500     2.700     1.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.19353E-03 ppm1      9.425 ppm2      1.339 CV     1
 ASSI {  285}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     2.700     3.300 peak   285 spectrum    1 weight  0.10000E+01 volume  0.65268E-02 ppm1      9.420 ppm2      1.439 CV     1
 ASSI {  286}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HE% )
      4.600     2.700     1.400 peak   286 spectrum    1 weight  0.10000E+01 volume  0.70196E-03 ppm1      9.421 ppm2      0.752 CV     1
 ASSI {  287}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.200     1.300     1.300 peak   287 spectrum    1 weight  0.10000E+01 volume  0.19418E-02 ppm1      7.711 ppm2      3.873 CV     1
 ASSI {  288}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HD1%))
      4.500     2.700     1.500 peak   288 spectrum    1 weight  0.10000E+01 volume  0.19353E-03 ppm1      9.425 ppm2      0.409 CV     1
 ASSI {  289}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      3.000     1.100     1.100 peak   289 spectrum    1 weight  0.10000E+01 volume  0.43353E-02 ppm1      7.712 ppm2      4.646 CV     1
 ASSI {  290}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.500     1.600     1.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.15549E-02 ppm1      7.713 ppm2      3.138 CV     1
 ASSI {  291}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.29856E-02 ppm1      9.050 ppm2      8.333 CV     1
 ASSI {  292}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.700     1.700     1.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.24255E-02 ppm1      9.044 ppm2      0.765 CV     1
 ASSI {  293}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      5.700     5.700     0.300 peak   293 spectrum    1 weight  0.10000E+01 volume  0.18765E-03 ppm1      9.031 ppm2      0.309 CV     1
 ASSI {  294}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      4.500     2.700     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.19353E-03 ppm1      9.425 ppm2      1.581 CV     1
 ASSI {  295}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      4.500     2.700     1.500 peak   295 spectrum    1 weight  0.10000E+01 volume  0.76536E-02 ppm1      8.951 ppm2      4.452 CV     1
 ASSI {  296}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.500     2.700     1.500 peak   296 spectrum    1 weight  0.10000E+01 volume  0.76536E-02 ppm1      8.951 ppm2      1.098 CV     1
 ASSI {  297}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.76536E-02 ppm1      8.951 ppm2      4.430 CV     1
 ASSI {  298}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      2.600     0.800     0.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.67582E-02 ppm1      8.949 ppm2      4.064 CV     1
 ASSI {  299}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 94   and name HA2 ))
      4.400     2.500     1.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.26059E-03 ppm1      8.957 ppm2      3.237 CV     1
 ASSI {  300}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 69   and name HG2%))
      4.500     2.700     1.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.39229E-03 ppm1      6.238 ppm2      0.981 CV     1
 ASSI {  301}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      4.200     2.200     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      8.951 ppm2      2.015 CV     1
 ASSI {  302}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.200     1.300     1.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.22274E-02 ppm1      8.949 ppm2      1.370 CV     1
 ASSI {  303}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.500     1.600     1.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.23562E-02 ppm1      8.948 ppm2      0.784 CV     1
 ASSI {  304}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HG1%)
      4.500     2.500     1.500 peak   304 spectrum    1 weight  0.10000E+01 volume  0.87189E-03 ppm1      8.945 ppm2      0.553 CV     1
 ASSI {  305}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      6.000     6.000     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.28516E-04 ppm1      8.945 ppm2      4.971 CV     1
 ASSI {  306}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      4.500     2.700     1.500 peak   306 spectrum    1 weight  0.10000E+01 volume  0.16216E-03 ppm1      8.241 ppm2      1.422 CV     1
 ASSI {  307}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      4.500     2.700     1.500 peak   307 spectrum    1 weight  0.10000E+01 volume  0.16216E-03 ppm1      8.241 ppm2      3.734 CV     1
 ASSI {  308}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      4.200     2.200     1.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.81895E-03 ppm1      8.603 ppm2      1.406 CV     1
 ASSI {  309}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      5.400     3.600     0.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.22739E-03 ppm1      8.602 ppm2      7.900 CV     1
 ASSI {  310}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.40915E-02 ppm1      8.598 ppm2      7.339 CV     1
 ASSI {  311}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 39   and name HD1 ))
      4.700     2.800     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.46477E-03 ppm1      8.598 ppm2      6.649 CV     1
 ASSI {  312}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.10876E-01 ppm1      8.597 ppm2      4.217 CV     1
 ASSI {  313}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.500     1.500     1.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.19680E-02 ppm1      8.600 ppm2      3.697 CV     1
 ASSI {  314}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.200     1.300     1.300 peak   314 spectrum    1 weight  0.10000E+01 volume  0.34529E-02 ppm1      8.597 ppm2      3.538 CV     1
 ASSI {  315}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.300     3.300     2.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.64484E-03 ppm1      8.596 ppm2      1.070 CV     1
 ASSI {  316}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.200     0.600     0.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.14268E-01 ppm1      8.239 ppm2      4.217 CV     1
 ASSI {  317}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.16216E-03 ppm1      8.241 ppm2      3.477 CV     1
 ASSI {  318}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.500     2.700     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.16216E-03 ppm1      8.241 ppm2      4.263 CV     1
 ASSI {  319}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.16614E-01 ppm1      8.240 ppm2      1.344 CV     1
 ASSI {  320}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.800     1.800     1.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.17477E-02 ppm1      8.239 ppm2      0.471 CV     1
 ASSI {  321}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      5.700     4.100     0.300 peak   321 spectrum    1 weight  0.10000E+01 volume  0.15359E-03 ppm1      9.054 ppm2      5.381 CV     1
 ASSI {  322}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.58078E-02 ppm1      9.043 ppm2      5.077 CV     1
 ASSI {  323}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.10484E-02 ppm1      9.043 ppm2      4.690 CV     1
 ASSI {  324}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      5.200     3.400     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.24837E-03 ppm1      9.039 ppm2      4.181 CV     1
 ASSI {  325}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.600     1.700     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.28980E-02 ppm1      9.043 ppm2      3.699 CV     1
 ASSI {  326}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      5.300     3.600     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.17993E-03 ppm1      9.043 ppm2      1.752 CV     1
 OR {  326}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI {  327}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.300     1.300     1.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.29784E-02 ppm1      9.044 ppm2      1.447 CV     1
 ASSI {  328}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      5.800     4.200     0.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.18804E-03 ppm1      9.045 ppm2      2.687 CV     1
 ASSI {  329}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      3.900     1.900     1.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.86863E-03 ppm1      9.038 ppm2      1.086 CV     1
 ASSI {  330}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     2.600     3.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.28118E-02 ppm1      8.595 ppm2      4.917 CV     1
 ASSI {  331}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.600     1.700     1.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.94444E-03 ppm1      8.597 ppm2      3.996 CV     1
 ASSI {  332}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.500     1.500     1.500 peak   332 spectrum    1 weight  0.10000E+01 volume  0.15484E-02 ppm1      8.595 ppm2      0.455 CV     1
 ASSI {  333}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 84   and name HG1%)
      6.000     6.000     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.28471E-04 ppm1      8.601 ppm2      0.144 CV     1
 ASSI {  334}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak   334 spectrum    1 weight  0.10000E+01 volume  0.38843E-02 ppm1      8.239 ppm2      1.933 CV     1
 ASSI {  335}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.200     0.600     0.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.17902E-01 ppm1      8.239 ppm2      4.621 CV     1
 ASSI {  336}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.800     1.800     1.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.31248E-02 ppm1      8.227 ppm2      2.672 CV     1
 ASSI {  337}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     5.100     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.90980E-04 ppm1      9.417 ppm2      8.543 CV     1
 ASSI {  338}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 67   and name HD% )
      4.700     2.700     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.32647E-03 ppm1      9.409 ppm2      6.981 CV     1
 ASSI {  339}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      5.600     4.000     0.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.16144E-03 ppm1      9.404 ppm2      8.754 CV     1
 ASSI {  340}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 67   and name HE% )
      4.200     2.200     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.15941E-03 ppm1      9.399 ppm2      6.740 CV     1
 ASSI {  341}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      5.700     4.100     0.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.14575E-03 ppm1      9.400 ppm2      5.857 CV     1
 ASSI {  342}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.900     1.900     1.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.11993E-02 ppm1      9.404 ppm2      4.641 CV     1
 ASSI {  343}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.200     1.200 peak   343 spectrum    1 weight  0.10000E+01 volume  0.18908E-02 ppm1      9.403 ppm2      4.401 CV     1
 ASSI {  344}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.200     0.600     0.600 peak   344 spectrum    1 weight  0.10000E+01 volume  0.11621E-01 ppm1      9.404 ppm2      4.096 CV     1
 ASSI {  345}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 82   and name HD1 ))
      6.000     4.900     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.12320E-03 ppm1      9.400 ppm2      3.392 CV     1
 ASSI {  346}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.500     1.500     1.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.20961E-02 ppm1      9.404 ppm2      2.716 CV     1
 ASSI {  347}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.500     0.800     0.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.77255E-02 ppm1      9.404 ppm2      1.677 CV     1
 ASSI {  348}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      6.000     5.900     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.15242E-03 ppm1      9.399 ppm2      1.381 CV     1
 ASSI {  349}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HD2%)
      3.300     1.400     1.400 peak   349 spectrum    1 weight  0.10000E+01 volume  0.27065E-02 ppm1      9.403 ppm2      0.897 CV     1
 ASSI {  350}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 79   and name HD1%)
      3.900     1.900     1.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.83399E-03 ppm1      9.404 ppm2      0.473 CV     1
 ASSI {  351}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      3.900     1.900     1.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.14216E-02 ppm1      9.405 ppm2      0.141 CV     1
 ASSI {  352}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      4.500     2.700     1.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.39229E-03 ppm1      6.238 ppm2      3.287 CV     1
 ASSI {  354}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      6.000     6.000     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.33150E-04 ppm1      8.772 ppm2      0.390 CV     1
 ASSI {  355}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      5.100     3.300     0.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.28739E-03 ppm1      8.761 ppm2      8.528 CV     1
 ASSI {  356}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HE1 ))
      3.600     3.600     2.400 peak   356 spectrum    1 weight  0.10000E+01 volume  0.35863E-02 ppm1      8.761 ppm2      7.430 CV     1
 ASSI {  357}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HD1 ))
      4.500     2.700     1.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.10863E-03 ppm1      8.770 ppm2      6.741 CV     1
 ASSI {  358}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.500     2.700     1.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10863E-03 ppm1      8.770 ppm2      9.641 CV     1
 ASSI {  359}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      8.760 ppm2      5.343 CV     1
 ASSI {  360}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     3.500     2.500 peak   360 spectrum    1 weight  0.10000E+01 volume  0.46484E-03 ppm1      8.764 ppm2      2.277 CV     1
 ASSI {  361}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.800     2.800     3.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.63020E-02 ppm1      8.762 ppm2      2.046 CV     1
 ASSI {  362}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      3.200     1.300     1.300 peak   362 spectrum    1 weight  0.10000E+01 volume  0.20987E-02 ppm1      8.763 ppm2      1.354 CV     1
 ASSI {  363}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.900     1.900     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.92418E-03 ppm1      8.757 ppm2      1.148 CV     1
 ASSI {  364}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.500     1.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.15471E-02 ppm1      8.758 ppm2      4.268 CV     1
 ASSI {  365}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     6.000     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.44967E-04 ppm1      8.762 ppm2      4.027 CV     1
 ASSI {  366}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      4.300     2.300     1.700 peak   366 spectrum    1 weight  0.10000E+01 volume  0.11190E-02 ppm1      8.761 ppm2      3.070 CV     1
 ASSI {  367}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.200     1.300     1.300 peak   367 spectrum    1 weight  0.10000E+01 volume  0.12804E-02 ppm1      8.762 ppm2      2.792 CV     1
 ASSI {  368}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      5.200     3.300     0.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.42516E-03 ppm1      8.758 ppm2      2.561 CV     1
 ASSI {  369}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 20   and name HE% )
      6.000     6.000     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.37706E-04 ppm1      8.754 ppm2      1.763 CV     1
 ASSI {  370}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.41379E-02 ppm1      8.339 ppm2      7.897 CV     1
 ASSI {  371}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.300     0.700     0.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.14183E-01 ppm1      8.339 ppm2      4.467 CV     1
 ASSI {  372}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      3.200     1.300     1.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.29810E-02 ppm1      8.341 ppm2      4.076 CV     1
 ASSI {  373}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      5.400     5.400     0.600 peak   373 spectrum    1 weight  0.10000E+01 volume  0.11784E-03 ppm1      8.332 ppm2      2.666 CV     1
 ASSI {  374}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      2.500     0.800     0.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.74444E-02 ppm1      8.340 ppm2      1.535 CV     1
 ASSI {  375}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.10072E-02 ppm1      8.337 ppm2      1.081 CV     1
 ASSI {  376}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      3.700     1.700     1.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.18477E-02 ppm1      8.340 ppm2      0.802 CV     1
 ASSI {  377}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      5.900     4.300     0.100 peak   377 spectrum    1 weight  0.10000E+01 volume  0.88235E-04 ppm1      8.188 ppm2      4.844 CV     1
 ASSI {  378}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.700     0.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.11490E-01 ppm1      8.191 ppm2      4.621 CV     1
 ASSI {  379}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.800     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.40274E-04 ppm1      8.179 ppm2      3.602 CV     1
 OR {  379}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI {  380}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.600     1.700     1.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.16091E-02 ppm1      8.189 ppm2      2.675 CV     1
 ASSI {  381}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.100     1.100 peak   381 spectrum    1 weight  0.10000E+01 volume  0.44157E-02 ppm1      8.190 ppm2      2.461 CV     1
 ASSI {  382}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.500     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      8.185 ppm2      1.069 CV     1
 ASSI {  383}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.900     3.000     1.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      4.004 CV     1
 ASSI {  384}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     6.000     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.32163E-04 ppm1      9.651 ppm2      4.289 CV     1
 ASSI {  385}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.500     2.700     1.500 peak   385 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      1.606 CV     1
 ASSI {  386}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.500     0.800     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.62889E-02 ppm1      8.600 ppm2      4.745 CV     1
 ASSI {  387}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.400     2.400     1.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.82484E-03 ppm1      8.608 ppm2      3.987 CV     1
 ASSI {  388}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      4.100     2.100     1.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.14366E-02 ppm1      8.606 ppm2      1.583 CV     1
 ASSI {  389}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.100     2.100     1.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.86536E-03 ppm1      8.604 ppm2      1.130 CV     1
 ASSI {  390}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 92   and name HD1%)
      2.600     2.600     3.400 peak   390 spectrum    1 weight  0.10000E+01 volume  0.29085E-02 ppm1      8.604 ppm2      0.748 CV     1
 ASSI {  391}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.700     1.700     1.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.74902E-03 ppm1      8.604 ppm2      5.069 CV     1
 ASSI {  392}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      3.100     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.12190E-02 ppm1      8.605 ppm2      3.007 CV     1
 ASSI {  393}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.300     2.300     1.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.78823E-03 ppm1      8.334 ppm2      4.730 CV     1
 ASSI {  394}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.000     1.100     1.100 peak   394 spectrum    1 weight  0.10000E+01 volume  0.19654E-02 ppm1      8.186 ppm2      7.740 CV     1
 ASSI {  395}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.500     2.600     1.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.11810E-03 ppm1      8.188 ppm2      7.449 CV     1
 ASSI {  396}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.700     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.47026E-02 ppm1      8.183 ppm2      4.371 CV     1
 ASSI {  397}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.900     1.000     1.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.54608E-02 ppm1      8.183 ppm2      4.123 CV     1
 ASSI {  398}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      4.500     2.500     1.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.13399E-03 ppm1      8.186 ppm2      2.179 CV     1
 OR {  398}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
 ASSI {  399}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      2.700     2.700     3.300 peak   399 spectrum    1 weight  0.10000E+01 volume  0.88170E-02 ppm1      8.187 ppm2      1.941 CV     1
 ASSI {  400}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      3.100     1.200     1.200 peak   400 spectrum    1 weight  0.10000E+01 volume  0.20647E-02 ppm1      8.186 ppm2      1.724 CV     1
 ASSI {  401}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.300     1.400     1.400 peak   401 spectrum    1 weight  0.10000E+01 volume  0.27536E-02 ppm1      8.186 ppm2      0.777 CV     1
 ASSI {  402}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.100     0.600     0.600 peak   402 spectrum    1 weight  0.10000E+01 volume  0.13229E-01 ppm1      7.932 ppm2      5.056 CV     1
 ASSI {  403}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     3.300     2.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.28941E-02 ppm1      7.936 ppm2      4.522 CV     1
 ASSI {  404}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HD1 ))
      4.300     2.300     1.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.90719E-03 ppm1      7.934 ppm2      3.734 CV     1
 ASSI {  405}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB  ))
      2.400     0.700     0.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.76340E-02 ppm1      7.933 ppm2      1.647 CV     1
 ASSI {  406}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      4.200     2.200     1.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.16699E-03 ppm1      7.931 ppm2      1.125 CV     1
 ASSI {  407}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.200     1.300     1.300 peak   407 spectrum    1 weight  0.10000E+01 volume  0.13882E-02 ppm1      7.929 ppm2      4.826 CV     1
 ASSI {  408}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.500     2.700     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      3.287 CV     1
 ASSI {  409}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      4.100     2.100     1.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.21020E-02 ppm1      7.922 ppm2      1.421 CV     1
 ASSI {  410}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      3.800     1.800     1.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.14647E-02 ppm1      7.932 ppm2      0.944 CV     1
 ASSI {  411}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.300     1.400     1.400 peak   411 spectrum    1 weight  0.10000E+01 volume  0.24850E-02 ppm1      7.930 ppm2      0.768 CV     1
 ASSI {  412}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      3.700     1.700     1.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.32222E-02 ppm1      7.931 ppm2      0.114 CV     1
 ASSI {  413}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      5.500     3.800     0.500 peak   413 spectrum    1 weight  0.10000E+01 volume  0.15562E-03 ppm1      9.660 ppm2      9.040 CV     1
 ASSI {  414}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.45189E-02 ppm1      9.660 ppm2      8.775 CV     1
 ASSI {  415}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HE1 ))
      4.200     2.200     1.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.35739E-02 ppm1      9.659 ppm2      7.441 CV     1
 ASSI {  416}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.200     2.200     3.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.13484E-01 ppm1      9.656 ppm2      5.345 CV     1
 ASSI {  417}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.700     1.700     1.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.67255E-03 ppm1      9.657 ppm2      2.737 CV     1
 ASSI {  418}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.700     1.700     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.15196E-02 ppm1      9.658 ppm2      2.278 CV     1
 ASSI {  419}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      4.100     2.200     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.75621E-03 ppm1      9.656 ppm2      2.018 CV     1
 ASSI {  420}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      4.900     3.000     1.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.12457E-02 ppm1      9.659 ppm2      1.587 CV     1
 ASSI {  421}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.69804E-03 ppm1      9.656 ppm2      1.149 CV     1
 ASSI {  422}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      4.600     2.700     1.400 peak   422 spectrum    1 weight  0.10000E+01 volume  0.44006E-03 ppm1      9.653 ppm2      0.850 CV     1
 ASSI {  423}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.700     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.94706E-04 ppm1      9.657 ppm2      4.798 CV     1
 ASSI {  424}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      5.000     3.100     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.63699E-03 ppm1      9.652 ppm2      3.267 CV     1
 ASSI {  425}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      5.500     3.800     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.10824E-03 ppm1      9.651 ppm2      2.993 CV     1
 ASSI {  426}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      4.600     2.700     1.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.21438E-03 ppm1      9.651 ppm2      0.410 CV     1
 ASSI {  427}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      4.900     3.000     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.10261E-03 ppm1      8.847 ppm2      5.006 CV     1
 ASSI {  428}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      6.000     6.000     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.32471E-04 ppm1      8.857 ppm2      2.104 CV     1
 ASSI {  429}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HG1%)
      5.700     4.100     0.300 peak   429 spectrum    1 weight  0.10000E+01 volume  0.30176E-03 ppm1      8.857 ppm2      0.566 CV     1
 ASSI {  430}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      5.600     3.900     0.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.11621E-03 ppm1      7.929 ppm2      0.407 CV     1
 ASSI {  431}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HG1%)
      4.400     2.400     1.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.69346E-03 ppm1      7.928 ppm2     -0.644 CV     1
 ASSI {  432}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.500     2.700     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      2.763 CV     1
 ASSI {  433}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.37765E-02 ppm1      8.853 ppm2      7.346 CV     1
 ASSI {  434}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.700     0.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.83464E-02 ppm1      8.852 ppm2      4.524 CV     1
 ASSI {  435}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     1.200     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.21320E-02 ppm1      8.854 ppm2      4.265 CV     1
 ASSI {  436}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.500     2.700     1.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.40320E-04 ppm1      8.775 ppm2      4.655 CV     1
 ASSI {  437}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.44889E-02 ppm1      8.853 ppm2      2.619 CV     1
 ASSI {  438}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      3.100     1.200     1.200 peak   438 spectrum    1 weight  0.10000E+01 volume  0.47516E-02 ppm1      8.852 ppm2      1.372 CV     1
 ASSI {  439}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      6.000     5.000     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.16000E-03 ppm1      8.857 ppm2      0.793 CV     1
 ASSI {  440}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      5.100     3.200     0.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.19614E-03 ppm1      8.864 ppm2      1.893 CV     1
 ASSI {  441}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.900     3.000     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.26889E-03 ppm1      8.264 ppm2      7.987 CV     1
 ASSI {  442}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.100     0.600     0.600 peak   442 spectrum    1 weight  0.10000E+01 volume  0.13601E-01 ppm1      8.248 ppm2      5.257 CV     1
 ASSI {  443}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.700     2.800     1.300 peak   443 spectrum    1 weight  0.10000E+01 volume  0.35418E-03 ppm1      8.249 ppm2      0.285 CV     1
 ASSI {  444}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.900     2.900     1.100 peak   444 spectrum    1 weight  0.10000E+01 volume  0.47366E-03 ppm1      8.252 ppm2      4.144 CV     1
 ASSI {  445}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      5.100     3.200     0.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.26784E-03 ppm1      8.245 ppm2      3.291 CV     1
 ASSI {  446}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.400     1.500     1.500 peak   446 spectrum    1 weight  0.10000E+01 volume  0.16033E-02 ppm1      8.246 ppm2      1.744 CV     1
 ASSI {  447}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      2.400     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.80327E-02 ppm1      8.548 ppm2      1.746 CV     1
 ASSI {  448}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      3.900     1.900     1.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.25725E-02 ppm1      8.554 ppm2      0.642 CV     1
 ASSI {  449}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak   449 spectrum    1 weight  0.10000E+01 volume  0.32654E-02 ppm1      8.248 ppm2      2.682 CV     1
 ASSI {  450}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      6.000     5.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.35889E-04 ppm1      8.247 ppm2     -0.518 CV     1
 ASSI {  451}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.38157E-02 ppm1      8.258 ppm2      3.653 CV     1
 ASSI {  452}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HD1 ))
      4.500     2.700     1.500 peak   452 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      6.774 CV     1
 ASSI {  453}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      4.500     2.700     1.500 peak   453 spectrum    1 weight  0.10000E+01 volume  0.20876E-02 ppm1      8.220 ppm2      1.463 CV     1
 ASSI {  454}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.20876E-02 ppm1      8.220 ppm2      4.061 CV     1
 ASSI {  455}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.34131E-02 ppm1      7.911 ppm2      4.509 CV     1
 ASSI {  456}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak   456 spectrum    1 weight  0.10000E+01 volume  0.21327E-02 ppm1      7.908 ppm2      4.692 CV     1
 ASSI {  457}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   457 spectrum    1 weight  0.10000E+01 volume  0.22085E-02 ppm1      7.906 ppm2      4.215 CV     1
 ASSI {  458}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HD1 ))
      2.800     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.18216E-02 ppm1      7.905 ppm2      3.754 CV     1
 ASSI {  459}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.800     1.800     1.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.17693E-02 ppm1      7.908 ppm2      1.846 CV     1
 ASSI {  460}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      3.100     1.200     1.200 peak   460 spectrum    1 weight  0.10000E+01 volume  0.44085E-02 ppm1      7.906 ppm2      1.585 CV     1
 ASSI {  461}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      5.800     4.200     0.200 peak   461 spectrum    1 weight  0.10000E+01 volume  0.19654E-03 ppm1      7.905 ppm2      1.030 CV     1
 ASSI {  462}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      2.800     2.800     3.200 peak   462 spectrum    1 weight  0.10000E+01 volume  0.17928E-02 ppm1      7.906 ppm2      0.744 CV     1
 ASSI {  463}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      3.600     1.600     1.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.12301E-02 ppm1      7.904 ppm2      2.837 CV     1
 ASSI {  464}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.83856E-02 ppm1      7.901 ppm2      1.314 CV     1
 ASSI {  465}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HE3 ))
      4.500     2.700     1.500 peak   465 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      7.445 CV     1
 ASSI {  466}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.800     2.900     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.10908E-03 ppm1      8.555 ppm2      4.467 CV     1
 ASSI {  467}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.700     1.700     1.700 peak   467 spectrum    1 weight  0.10000E+01 volume  0.68170E-03 ppm1      8.548 ppm2      3.987 CV     1
 ASSI {  468}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.700     3.700     2.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.34294E-03 ppm1      8.548 ppm2      3.697 CV     1
 ASSI {  469}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      5.100     3.200     0.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.39941E-03 ppm1      8.555 ppm2      2.011 CV     1
 ASSI {  470}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.900     1.900     1.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.24020E-02 ppm1      8.551 ppm2      1.475 CV     1
 ASSI {  471}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.300     0.600     0.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.85229E-02 ppm1      8.544 ppm2      4.952 CV     1
 ASSI {  472}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.300     1.400     1.400 peak   472 spectrum    1 weight  0.10000E+01 volume  0.16353E-02 ppm1      8.545 ppm2      1.243 CV     1
 ASSI {  473}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      4.600     2.600     1.400 peak   473 spectrum    1 weight  0.10000E+01 volume  0.10843E-03 ppm1      8.651 ppm2      4.243 CV     1
 ASSI {  474}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      5.900     4.300     0.100 peak   474 spectrum    1 weight  0.10000E+01 volume  0.11503E-03 ppm1      8.310 ppm2      7.689 CV     1
 ASSI {  475}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      1.900     0.400     0.400 peak   475 spectrum    1 weight  0.10000E+01 volume  0.22987E-01 ppm1      8.299 ppm2      4.238 CV     1
 ASSI {  476}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.12091E-01 ppm1      8.306 ppm2      1.707 CV     1
 ASSI {  477}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.700     1.700     1.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.17085E-02 ppm1      8.303 ppm2      1.470 CV     1
 ASSI {  478}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.200     2.200     1.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.14817E-02 ppm1      8.296 ppm2      0.439 CV     1
 ASSI {  479}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.500     2.700     1.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      4.806 CV     1
 ASSI {  480}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.300     2.300     1.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.41359E-03 ppm1      8.666 ppm2      7.758 CV     1
 ASSI {  481}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 93   and name HE1 ))
      4.500     2.700     1.500 peak   481 spectrum    1 weight  0.10000E+01 volume  0.39229E-03 ppm1      6.238 ppm2      9.447 CV     1
 ASSI {  482}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.000     1.100     1.100 peak   482 spectrum    1 weight  0.10000E+01 volume  0.27425E-02 ppm1      8.664 ppm2      4.799 CV     1
 ASSI {  483}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.200     0.600     0.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.14497E-01 ppm1      8.660 ppm2      4.538 CV     1
 ASSI {  484}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 97   and name HA ))
      4.500     2.700     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.39229E-03 ppm1      6.238 ppm2      3.778 CV     1
 ASSI {  485}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.500     1.700     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.12752E-01 ppm1      8.666 ppm2      1.580 CV     1
 ASSI {  486}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.300     1.300     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.23549E-02 ppm1      8.663 ppm2      1.098 CV     1
 ASSI {  487}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 92   and name HD1%)
      2.900     2.900     3.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.66013E-02 ppm1      8.665 ppm2      0.731 CV     1
 ASSI {  488}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      4.800     2.800     1.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.36667E-03 ppm1      8.673 ppm2      0.303 CV     1
 ASSI {  489}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.51006E-02 ppm1      8.346 ppm2      4.644 CV     1
 ASSI {  490}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.500     1.500     1.500 peak   490 spectrum    1 weight  0.10000E+01 volume  0.24634E-02 ppm1      8.351 ppm2      4.335 CV     1
 OR {  490}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  491}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak   491 spectrum    1 weight  0.10000E+01 volume  0.19085E-01 ppm1      8.348 ppm2      4.115 CV     1
 ASSI {  492}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.400     0.700     0.700 peak   492 spectrum    1 weight  0.10000E+01 volume  0.12346E-01 ppm1      8.344 ppm2      2.673 CV     1
 ASSI {  493}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.400     1.500     1.500 peak   493 spectrum    1 weight  0.10000E+01 volume  0.29020E-02 ppm1      8.346 ppm2      0.994 CV     1
 ASSI {  494}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.300     2.300     1.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.90850E-03 ppm1      8.344 ppm2      7.883 CV     1
 ASSI {  495}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      4.500     2.700     1.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      2.026 CV     1
 ASSI {  496}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.200     0.600     0.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.12954E-01 ppm1      8.209 ppm2      4.364 CV     1
 ASSI {  497}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
      2.300     0.700     0.700 peak   497 spectrum    1 weight  0.10000E+01 volume  0.12072E-01 ppm1      8.202 ppm2      1.937 CV     1
 ASSI {  498}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      2.400     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.15248E-01 ppm1      8.220 ppm2      1.790 CV     1
 ASSI {  499}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      3.500     1.500     1.500 peak   499 spectrum    1 weight  0.10000E+01 volume  0.31059E-02 ppm1      8.222 ppm2      1.111 CV     1
 ASSI {  500}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.900     1.900     1.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.18889E-02 ppm1      8.216 ppm2      2.178 CV     1
 ASSI {  501}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      3.800     1.800     1.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.46386E-02 ppm1      8.218 ppm2      0.798 CV     1
 ASSI {  502}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 76   and name HB1 ))
      3.200     1.300     1.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.13333E-02 ppm1      7.217 ppm2      3.023 CV     1
 ASSI {  503}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 76   and name HB2 ))
      4.300     2.300     1.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.53784E-03 ppm1      7.218 ppm2      2.733 CV     1
 ASSI {  504}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 74   and name HB1 ))
      4.100     2.100     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.11000E-02 ppm1      7.218 ppm2      2.253 CV     1
 ASSI {  505}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 74   and name HB2 ))
      4.800     2.800     1.200 peak   505 spectrum    1 weight  0.10000E+01 volume  0.13961E-02 ppm1      7.218 ppm2      1.952 CV     1
 ASSI {  506}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.500     0.800     0.800 peak   506 spectrum    1 weight  0.10000E+01 volume  0.97255E-02 ppm1      8.196 ppm2      4.073 CV     1
 ASSI {  507}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HA2 ))
      3.300     1.300     1.300 peak   507 spectrum    1 weight  0.10000E+01 volume  0.17176E-02 ppm1      8.190 ppm2      3.220 CV     1
 ASSI {  508}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.000     1.100     1.100 peak   508 spectrum    1 weight  0.10000E+01 volume  0.75098E-02 ppm1      8.195 ppm2      2.975 CV     1
 ASSI {  509}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      4.500     2.700     1.500 peak   509 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      1.153 CV     1
 ASSI {  510}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      5.500     3.700     0.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.90980E-04 ppm1      8.173 ppm2      7.701 CV     1
 OR {  510}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  511}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HG1%)
      3.200     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.39948E-02 ppm1      8.145 ppm2     -0.651 CV     1
 ASSI {  512}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HD% )
      5.800     4.200     0.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.91895E-04 ppm1      8.172 ppm2      6.727 CV     1
 ASSI {  513}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.600     2.700     1.400 peak   513 spectrum    1 weight  0.10000E+01 volume  0.52242E-03 ppm1      8.171 ppm2      6.226 CV     1
 ASSI {  514}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.20235E-02 ppm1      8.168 ppm2      5.849 CV     1
 ASSI {  515}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA1 ))
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.70065E-02 ppm1      8.164 ppm2      3.776 CV     1
 ASSI {  516}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.400     2.400     3.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.13850E-01 ppm1      8.162 ppm2      1.433 CV     1
 ASSI {  517}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.200     1.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.20680E-02 ppm1      8.165 ppm2      1.144 CV     1
 ASSI {  518}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.400     1.400     1.400 peak   518 spectrum    1 weight  0.10000E+01 volume  0.22294E-02 ppm1      8.153 ppm2      0.644 CV     1
 ASSI {  519}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HD1%)
      3.500     1.500     1.500 peak   519 spectrum    1 weight  0.10000E+01 volume  0.30830E-02 ppm1      8.159 ppm2      0.472 CV     1
 ASSI {  520}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      3.800     1.800     1.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.61765E-03 ppm1      8.154 ppm2      0.134 CV     1
 ASSI {  521}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.100     1.200     1.200 peak   521 spectrum    1 weight  0.10000E+01 volume  0.16608E-02 ppm1      8.146 ppm2      5.059 CV     1
 ASSI {  522}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.12183E-01 ppm1      8.143 ppm2      4.788 CV     1
 ASSI {  523}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.500     1.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.30013E-02 ppm1      8.143 ppm2      4.512 CV     1
 ASSI {  524}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.800     1.000     1.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.74640E-02 ppm1      8.142 ppm2      2.847 CV     1
 ASSI {  525}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB  ))
      3.000     1.100     1.100 peak   525 spectrum    1 weight  0.10000E+01 volume  0.28216E-02 ppm1      8.146 ppm2      0.969 CV     1
 ASSI {  526}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      4.600     2.600     1.400 peak   526 spectrum    1 weight  0.10000E+01 volume  0.31882E-03 ppm1      7.872 ppm2      3.561 CV     1
 ASSI {  528}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 70   and name HD1 ))
      3.900     1.900     1.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.73072E-03 ppm1      8.899 ppm2      6.762 CV     1
 ASSI {  529}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.23804E-02 ppm1      8.885 ppm2      5.369 CV     1
 ASSI {  530}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.700     0.700 peak   530 spectrum    1 weight  0.10000E+01 volume  0.96209E-02 ppm1      8.898 ppm2      4.664 CV     1
 ASSI {  531}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.600     0.900     0.900 peak   531 spectrum    1 weight  0.10000E+01 volume  0.41673E-02 ppm1      8.891 ppm2      3.243 CV     1
 ASSI {  532}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.500     1.500     1.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.71046E-03 ppm1      8.895 ppm2      1.598 CV     1
 ASSI {  533}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.400     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.36444E-02 ppm1      8.890 ppm2      1.305 CV     1
 ASSI {  534}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.800     2.900     1.200 peak   534 spectrum    1 weight  0.10000E+01 volume  0.81046E-03 ppm1      8.898 ppm2      0.296 CV     1
 ASSI {  535}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.33660E-02 ppm1      8.891 ppm2      2.705 CV     1
 ASSI {  536}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      4.200     2.200     1.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.79673E-03 ppm1      8.884 ppm2      0.776 CV     1
 ASSI {  537}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     6.000     0.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.40320E-04 ppm1      8.775 ppm2      7.341 CV     1
 ASSI {  538}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 67   and name HD% )
      2.800     1.000     1.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.36216E-02 ppm1      8.775 ppm2      6.962 CV     1
 ASSI {  539}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.700     1.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      8.795 CV     1
 ASSI {  540}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.100     0.600     0.600 peak   540 spectrum    1 weight  0.10000E+01 volume  0.17137E-01 ppm1      8.772 ppm2      4.579 CV     1
 ASSI {  541}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.000     1.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.25536E-02 ppm1      8.773 ppm2      4.084 CV     1
 ASSI {  542}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.500     2.500     3.500 peak   542 spectrum    1 weight  0.10000E+01 volume  0.62000E-02 ppm1      8.772 ppm2      2.781 CV     1
 ASSI {  543}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      4.500     2.700     1.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.39229E-03 ppm1      6.238 ppm2      1.485 CV     1
 ASSI {  544}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.400     1.400     1.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.54542E-02 ppm1      8.771 ppm2      1.738 CV     1
 ASSI {  545}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.400     1.500     1.500 peak   545 spectrum    1 weight  0.10000E+01 volume  0.29549E-02 ppm1      8.774 ppm2      1.498 CV     1
 ASSI {  546}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
      4.000     2.000     2.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.81895E-03 ppm1      8.776 ppm2      1.217 CV     1
 ASSI {  547}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      5.300     3.500     0.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.16712E-03 ppm1      8.764 ppm2      0.947 CV     1
ASSI {  548}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HB% ))
      4.900     3.100     1.100 peak   548 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      9.658 ppm2      3.024 CV     1
ASSI {  549}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 106  and name HB% )
      4.400     2.400     1.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.88693E-03 ppm1      7.864 ppm2      1.348 CV     1
 ASSI {  550}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.300     1.300     1.300 peak   550 spectrum    1 weight  0.10000E+01 volume  0.20797E-02 ppm1      7.867 ppm2      4.233 CV     1
 ASSI {  551}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      5.700     4.000     0.300 peak   551 spectrum    1 weight  0.10000E+01 volume  0.20052E-03 ppm1      8.896 ppm2      6.163 CV     1
 ASSI {  552}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      5.800     4.300     0.200 peak   552 spectrum    1 weight  0.10000E+01 volume  0.99346E-04 ppm1      8.898 ppm2      3.981 CV     1
 ASSI {  553}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     5.900     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.89935E-04 ppm1      8.894 ppm2      3.527 CV     1
 ASSI {  554}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.700     2.700     1.300 peak   554 spectrum    1 weight  0.10000E+01 volume  0.55621E-03 ppm1      8.890 ppm2      1.771 CV     1
 ASSI {  555}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      5.600     3.900     0.400 peak   555 spectrum    1 weight  0.10000E+01 volume  0.23157E-03 ppm1      8.888 ppm2     -0.446 CV     1
 ASSI {  556}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.300     1.400     1.400 peak   556 spectrum    1 weight  0.10000E+01 volume  0.12026E-02 ppm1      8.158 ppm2      7.708 CV     1
 ASSI {  557}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      3.100     1.200     1.200 peak   557 spectrum    1 weight  0.10000E+01 volume  0.21797E-02 ppm1      8.158 ppm2      7.446 CV     1
 ASSI {  558}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.000     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.39765E-02 ppm1      8.160 ppm2      4.319 CV     1
 ASSI {  559}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      2.400     0.700     0.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.11706E-01 ppm1      8.155 ppm2      4.122 CV     1
 ASSI {  560}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
      2.500     2.500     3.500 peak   560 spectrum    1 weight  0.10000E+01 volume  0.12196E-01 ppm1      8.157 ppm2      1.793 CV     1
 ASSI {  561}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.11222E-01 ppm1      8.223 ppm2      4.692 CV     1
 ASSI {  562}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.700     1.700     1.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.19889E-02 ppm1      8.217 ppm2      3.730 CV     1
 ASSI {  563}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HA2 )
      4.500     2.700     1.500 peak   563 spectrum    1 weight  0.10000E+01 volume  0.52673E-02 ppm1      8.150 ppm2      3.803 CV     1
 ASSI {  564}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.900     1.100     1.100 peak   564 spectrum    1 weight  0.10000E+01 volume  0.78235E-02 ppm1      8.218 ppm2      2.623 CV     1
 ASSI {  565}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 97   and name HA  )
      4.500     2.700     1.500 peak   565 spectrum    1 weight  0.10000E+01 volume  0.52673E-02 ppm1      8.150 ppm2      3.785 CV     1
 ASSI {  566}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      4.500     2.500     1.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.22490E-03 ppm1      7.800 ppm2      7.008 CV     1
 ASSI {  567}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      6.000     4.900     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.90719E-04 ppm1      7.801 ppm2      4.794 CV     1
 ASSI {  568}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.800     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.31575E-02 ppm1      7.789 ppm2      4.537 CV     1
 ASSI {  569}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.400     2.400     3.600 peak   569 spectrum    1 weight  0.10000E+01 volume  0.14582E-01 ppm1      7.796 ppm2      4.249 CV     1
 ASSI {  570}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      3.200     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.32810E-02 ppm1      7.796 ppm2      2.525 CV     1
 ASSI {  571}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.400     1.400     1.400 peak   571 spectrum    1 weight  0.10000E+01 volume  0.27379E-02 ppm1      7.796 ppm2      1.750 CV     1
 ASSI {  572}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.600     1.700     1.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.14353E-02 ppm1      7.797 ppm2      1.460 CV     1
 ASSI {  573}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 35   and name HG1 ))
      3.800     1.800     1.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.90850E-03 ppm1      7.799 ppm2      1.278 CV     1
 ASSI {  574}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      3.100     1.200     1.200 peak   574 spectrum    1 weight  0.10000E+01 volume  0.63523E-02 ppm1      7.794 ppm2      0.750 CV     1
 ASSI {  575}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.500     2.700     1.500 peak   575 spectrum    1 weight  0.10000E+01 volume  0.65059E-03 ppm1      8.034 ppm2      3.820 CV     1
 ASSI {  576}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 35   and name HE1 ))
      3.900     1.900     1.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.12935E-02 ppm1      7.792 ppm2      2.777 CV     1
 ASSI {  577}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      2.600     0.900     0.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.63850E-02 ppm1      7.794 ppm2      1.980 CV     1
 ASSI {  578}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.600     2.700     1.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.92222E-04 ppm1      7.790 ppm2      1.047 CV     1
 ASSI {  579}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.100     1.200     1.200 peak   579 spectrum    1 weight  0.10000E+01 volume  0.26608E-02 ppm1      7.545 ppm2      4.380 CV     1
 ASSI {  580}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.900     1.900     1.900 peak   580 spectrum    1 weight  0.10000E+01 volume  0.73464E-03 ppm1      7.545 ppm2      3.593 CV     1
 ASSI {  581}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HE2 ))
      4.500     2.700     1.500 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17569E-02 ppm1      8.221 ppm2      2.648 CV     1
 ASSI {  582}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      5.500     3.800     0.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.15654E-03 ppm1      7.545 ppm2      1.692 CV     1
 ASSI {  583}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      3.700     1.700     1.700 peak   583 spectrum    1 weight  0.10000E+01 volume  0.17569E-02 ppm1      8.221 ppm2      2.272 CV     1
 ASSI {  584}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB% ))
      2.500     2.500     3.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.10837E-01 ppm1      8.220 ppm2      1.913 CV     1
 ASSI {  585}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.300     2.300     1.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.65059E-03 ppm1      8.034 ppm2      4.344 CV     1
 OR {  585}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  586}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      4.200     2.200     1.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.37882E-03 ppm1      7.540 ppm2      4.146 CV     1
 ASSI {  587}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      4.000     2.000     2.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.56503E-03 ppm1      7.542 ppm2      3.942 CV     1
 ASSI {  588}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.600     1.700     1.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.41065E-02 ppm1      7.543 ppm2      2.664 CV     1
 ASSI {  589}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 97   and name HB1 )
      4.500     2.700     1.500 peak   589 spectrum    1 weight  0.10000E+01 volume  0.52673E-02 ppm1      8.150 ppm2      1.512 CV     1
 ASSI {  590}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      2.500     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.47333E-02 ppm1      7.539 ppm2      2.184 CV     1
 ASSI {  591}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      4.900     3.000     1.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.34065E-03 ppm1      7.542 ppm2      1.440 CV     1
 ASSI {  593}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      5.000     3.100     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.44183E-03 ppm1      8.899 ppm2      7.725 CV     1
 ASSI {  594}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HD21))
      3.400     1.400     1.400 peak   594 spectrum    1 weight  0.10000E+01 volume  0.13654E-02 ppm1      8.896 ppm2      7.220 CV     1
 ASSI {  595}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.36294E-02 ppm1      8.896 ppm2      4.608 CV     1
 ASSI {  596}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.000     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.47640E-02 ppm1      8.891 ppm2      3.021 CV     1
 ASSI {  597}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.400     1.500     1.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.27444E-02 ppm1      8.891 ppm2      2.749 CV     1
 ASSI {  598}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.600     1.600     1.600 peak   598 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      8.892 ppm2      2.277 CV     1
 ASSI {  599}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.700     2.800     1.300 peak   599 spectrum    1 weight  0.10000E+01 volume  0.15033E-03 ppm1      8.892 ppm2      1.758 CV     1
 ASSI {  600}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HG1%)
      4.500     2.700     1.500 peak   600 spectrum    1 weight  0.10000E+01 volume  0.84706E-03 ppm1      9.350 ppm2      1.394 CV     1
 ASSI {  601}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      5.400     3.600     0.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.18771E-03 ppm1      8.225 ppm2      0.808 CV     1
 ASSI {  602}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak   602 spectrum    1 weight  0.10000E+01 volume  0.17941E-01 ppm1      8.218 ppm2      4.212 CV     1
 ASSI {  603}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.500     2.700     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      8.755 ppm2      4.734 CV     1
 ASSI {  604}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HB% )
      3.800     1.800     1.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.10673E-02 ppm1      8.223 ppm2      1.303 CV     1
 ASSI {  605}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.900     3.000     1.100 peak   605 spectrum    1 weight  0.10000E+01 volume  0.33941E-03 ppm1      9.068 ppm2      8.270 CV     1
 ASSI {  606}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak   606 spectrum    1 weight  0.10000E+01 volume  0.29673E-02 ppm1      8.892 ppm2      4.139 CV     1
 ASSI {  607}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.200     2.200     1.800 peak   607 spectrum    1 weight  0.10000E+01 volume  0.48085E-03 ppm1      8.897 ppm2      3.631 CV     1
 ASSI {  608}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.500     2.500     1.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.61412E-03 ppm1      8.892 ppm2      1.956 CV     1
 ASSI {  609}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.11183E-03 ppm1      8.066 ppm2      0.982 CV     1
 ASSI {  610}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.47065E-02 ppm1      8.062 ppm2      4.162 CV     1
 ASSI {  611}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
      3.500     1.700     1.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.92091E-02 ppm1      8.057 ppm2      3.798 CV     1
 ASSI {  612}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.300     1.300     1.300 peak   612 spectrum    1 weight  0.10000E+01 volume  0.33314E-02 ppm1      8.062 ppm2      2.179 CV     1
 ASSI {  613}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak   613 spectrum    1 weight  0.10000E+01 volume  0.38170E-02 ppm1      8.062 ppm2      1.899 CV     1
 ASSI {  614}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
      4.200     2.200     1.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.46346E-03 ppm1      8.065 ppm2      1.247 CV     1
 ASSI {  615}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      5.100     3.300     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.34281E-03 ppm1      8.059 ppm2      0.435 CV     1
 ASSI {  616}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.200     2.200     1.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.15497E-03 ppm1      7.768 ppm2      3.646 CV     1
 ASSI {  617}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.100     2.100     3.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.17000E-01 ppm1      7.762 ppm2      1.708 CV     1
 ASSI {  618}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      4.400     2.400     1.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.12627E-03 ppm1      7.749 ppm2      2.201 CV     1
 ASSI {  619}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.500     2.700     1.500 peak   619 spectrum    1 weight  0.10000E+01 volume  0.15497E-03 ppm1      7.768 ppm2      1.680 CV     1
 ASSI {  620}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.200     0.600     0.600 peak   620 spectrum    1 weight  0.10000E+01 volume  0.11974E-01 ppm1      9.072 ppm2      6.169 CV     1
 ASSI {  621}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.800     0.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.43784E-02 ppm1      9.072 ppm2      5.288 CV     1
 ASSI {  622}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     6.000     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.32490E-04 ppm1      9.076 ppm2      4.992 CV     1
 ASSI {  623}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.600     2.600     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.69085E-03 ppm1      9.072 ppm2      4.691 CV     1
 ASSI {  624}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     6.000     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.27745E-04 ppm1      9.066 ppm2      3.748 CV     1
 OR {  624}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 78   and name HA2 ))
 ASSI {  625}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      3.100     1.200     1.200 peak   625 spectrum    1 weight  0.10000E+01 volume  0.42052E-02 ppm1      9.077 ppm2      3.072 CV     1
 ASSI {  626}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      4.000     2.000     2.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.21608E-02 ppm1      9.073 ppm2      2.579 CV     1
 ASSI {  627}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.400     1.500     1.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.22673E-02 ppm1      9.073 ppm2      1.756 CV     1
 ASSI {  628}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.900     1.100     1.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.19274E-02 ppm1      9.078 ppm2      1.534 CV     1
 ASSI {  629}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.800     1.800     1.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.11150E-02 ppm1      9.073 ppm2      1.302 CV     1
 ASSI {  630}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      6.000     5.200     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.92353E-04 ppm1      9.073 ppm2      1.016 CV     1
 ASSI {  631}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      2.900     2.900     3.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.16020E-02 ppm1      9.070 ppm2      0.816 CV     1
 ASSI {  632}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.500     2.500     1.500 peak   632 spectrum    1 weight  0.10000E+01 volume  0.57372E-03 ppm1      9.078 ppm2      0.317 CV     1
 ASSI {  633}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.700     2.800     1.300 peak   633 spectrum    1 weight  0.10000E+01 volume  0.39732E-03 ppm1      9.074 ppm2     -0.459 CV     1
 ASSI {  634}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak   634 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      8.755 ppm2      4.536 CV     1
 ASSI {  635}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.900     1.900     1.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.18562E-02 ppm1      8.753 ppm2      1.672 CV     1
 ASSI {  636}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      5.500     3.800     0.500 peak   636 spectrum    1 weight  0.10000E+01 volume  0.16739E-03 ppm1      8.755 ppm2      0.756 CV     1
 ASSI {  637}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.68954E-02 ppm1      8.750 ppm2      4.769 CV     1
 ASSI {  638}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      5.800     4.200     0.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.79346E-04 ppm1      8.753 ppm2      4.228 CV     1
 ASSI {  639}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.200     2.200     1.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.13457E-02 ppm1      8.054 ppm2      0.698 CV     1
 ASSI {  640}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.200     1.200 peak   640 spectrum    1 weight  0.10000E+01 volume  0.18967E-02 ppm1      7.769 ppm2      4.790 CV     1
 ASSI {  641}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      4.500     2.700     1.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.24484E-02 ppm1      7.755 ppm2      3.513 CV     1
 ASSI {  642}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.400     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.83006E-02 ppm1      7.774 ppm2      4.385 CV     1
 ASSI {  643}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HE1 ))
      4.800     2.900     1.200 peak   643 spectrum    1 weight  0.10000E+01 volume  0.66274E-03 ppm1      7.765 ppm2      2.853 CV     1
 ASSI {  644}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      4.500     2.700     1.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.86732E-02 ppm1      8.537 ppm2      4.085 CV     1
 ASSI {  645}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 103  and name HD1%)
      3.200     1.300     1.300 peak   645 spectrum    1 weight  0.10000E+01 volume  0.49072E-02 ppm1      7.754 ppm2      0.762 CV     1
 ASSI {  646}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      5.400     3.700     0.600 peak   646 spectrum    1 weight  0.10000E+01 volume  0.17706E-03 ppm1      9.076 ppm2      8.245 CV     1
 ASSI {  647}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     3.500     2.500 peak   647 spectrum    1 weight  0.10000E+01 volume  0.49320E-03 ppm1      8.748 ppm2      8.080 CV     1
 ASSI {  648}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.000     3.100     1.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.45163E-03 ppm1      8.747 ppm2      7.791 CV     1
 ASSI {  649}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      4.500     2.500     1.500 peak   649 spectrum    1 weight  0.10000E+01 volume  0.34908E-03 ppm1      8.755 ppm2      1.988 CV     1
 ASSI {  650}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      3.200     3.200     2.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.11451E-01 ppm1      8.748 ppm2      1.383 CV     1
 ASSI {  651}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      5.300     3.400     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.18235E-03 ppm1      7.997 ppm2      5.383 CV     1
 ASSI {  652}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.900     1.900     1.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.98889E-03 ppm1      7.997 ppm2      2.692 CV     1
 ASSI {  653}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.97582E-02 ppm1      7.989 ppm2      1.959 CV     1
 ASSI {  654}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      4.400     2.400     1.600 peak   654 spectrum    1 weight  0.10000E+01 volume  0.51059E-03 ppm1      7.990 ppm2      1.576 CV     1
 ASSI {  655}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      6.000     6.000     0.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.34706E-04 ppm1      7.984 ppm2      0.309 CV     1
 ASSI {  656}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      5.500     3.800     0.500 peak   656 spectrum    1 weight  0.10000E+01 volume  0.33196E-04 ppm1      7.981 ppm2     -0.502 CV     1
 ASSI {  657}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.66732E-02 ppm1      7.682 ppm2      4.144 CV     1
 ASSI {  658}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.500     2.700     1.500 peak   658 spectrum    1 weight  0.10000E+01 volume  0.66732E-02 ppm1      7.682 ppm2      4.212 CV     1
 ASSI {  659}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      3.300     1.400     1.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.39928E-02 ppm1      7.683 ppm2      3.696 CV     1
 ASSI {  660}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      4.500     2.700     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.86732E-02 ppm1      8.537 ppm2      1.768 CV     1
 ASSI {  661}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
      3.100     1.200     1.200 peak   661 spectrum    1 weight  0.10000E+01 volume  0.66470E-02 ppm1      7.676 ppm2      1.755 CV     1
 ASSI {  662}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      5.500     3.700     0.500 peak   662 spectrum    1 weight  0.10000E+01 volume  0.29294E-03 ppm1      7.677 ppm2      1.445 CV     1
 ASSI {  663}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
      2.400     0.600     1.100 peak   663 spectrum    1 weight  0.10000E+01 volume  0.26647E-02 ppm1      7.684 ppm2      1.227 CV     1
 ASSI {  664}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
      2.500     0.800     0.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.31111E-02 ppm1      7.683 ppm2      0.962 CV     1
 ASSI {  665}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 55   and name HD1%)
      3.800     1.800     1.800 peak   665 spectrum    1 weight  0.10000E+01 volume  0.51065E-02 ppm1      7.682 ppm2      0.692 CV     1
 ASSI {  666}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.600     2.700     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.90784E-04 ppm1      8.913 ppm2      1.273 CV     1
 ASSI {  667}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      5.400     3.600     0.600 peak   667 spectrum    1 weight  0.10000E+01 volume  0.17242E-03 ppm1      8.548 ppm2      5.301 CV     1
 ASSI {  668}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.500     2.700     1.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.66732E-02 ppm1      7.682 ppm2      8.403 CV     1
 ASSI {  669}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      4.300     2.300     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.45268E-03 ppm1      8.550 ppm2      2.566 CV     1
 ASSI {  670}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.700     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.36987E-04 ppm1      8.551 ppm2      2.296 CV     1
 ASSI {  671}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 93   and name HH2 ))
      3.500     3.500     2.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.29758E-02 ppm1      8.542 ppm2      7.116 CV     1
 OR {  671}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 71   and name HE  ))
 ASSI {  672}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.100     1.200     1.200 peak   672 spectrum    1 weight  0.10000E+01 volume  0.19810E-02 ppm1      8.544 ppm2      5.002 CV     1
 ASSI {  673}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      4.500     2.700     1.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.17242E-03 ppm1      8.548 ppm2      1.693 CV     1
 ASSI {  674}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      1.900     0.400     0.400 peak   674 spectrum    1 weight  0.10000E+01 volume  0.36791E-01 ppm1      8.544 ppm2      4.459 CV     1
 ASSI {  675}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      2.900     1.100     1.100 peak   675 spectrum    1 weight  0.10000E+01 volume  0.66601E-02 ppm1      8.540 ppm2      4.009 CV     1
 ASSI {  676}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.800     1.000     1.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.86732E-02 ppm1      8.537 ppm2      2.836 CV     1
 ASSI {  677}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.500     1.500     1.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.42490E-02 ppm1      8.542 ppm2      1.959 CV     1
 ASSI {  678}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HD2%))
      4.500     2.700     1.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.17242E-03 ppm1      8.548 ppm2      0.775 CV     1
 ASSI {  679}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      4.500     2.700     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.86732E-02 ppm1      8.537 ppm2      1.968 CV     1
 ASSI {  680}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      2.500     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.92810E-02 ppm1      8.540 ppm2      0.751 CV     1
 ASSI {  681}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      2.600     0.800     0.800 peak   681 spectrum    1 weight  0.10000E+01 volume  0.71046E-02 ppm1      8.543 ppm2      0.761 CV     1
 ASSI {  682}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 79   and name HD1%)
      3.600     1.600     1.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.20163E-02 ppm1      8.543 ppm2      0.555 CV     1
 ASSI {  683}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      3.600     1.600     1.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13549E-02 ppm1      8.544 ppm2      0.131 CV     1
 ASSI {  684}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 84   and name HG1%)
      6.000     6.000     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.30693E-04 ppm1      8.545 ppm2     -0.638 CV     1
 ASSI {  685}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.500     2.700     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.36425E-02 ppm1      8.160 ppm2      1.367 CV     1
 ASSI {  686}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.900     1.100     1.100 peak   686 spectrum    1 weight  0.10000E+01 volume  0.43307E-02 ppm1      8.281 ppm2      4.132 CV     1
 ASSI {  687}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.700     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.52039E-02 ppm1      8.280 ppm2      2.637 CV     1
 ASSI {  688}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.700     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.18608E-03 ppm1      8.277 ppm2      1.980 CV     1
 ASSI {  689}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.500     2.700     1.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.36425E-02 ppm1      8.160 ppm2      3.646 CV     1
 ASSI {  690}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.600     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.61921E-02 ppm1      8.281 ppm2      1.512 CV     1
 ASSI {  691}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.200     1.300     1.300 peak   691 spectrum    1 weight  0.10000E+01 volume  0.37020E-02 ppm1      8.279 ppm2      1.245 CV     1
 ASSI {  692}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG  ))
      4.300     2.300     1.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.40274E-03 ppm1      8.281 ppm2      1.030 CV     1
 ASSI {  693}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HD2%)
      2.900     1.100     1.100 peak   693 spectrum    1 weight  0.10000E+01 volume  0.41817E-02 ppm1      8.281 ppm2      0.746 CV     1
 ASSI {  694}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      5.800     4.200     0.200 peak   694 spectrum    1 weight  0.10000E+01 volume  0.25196E-03 ppm1      8.274 ppm2      4.469 CV     1
 ASSI {  695}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.900     0.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.76274E-02 ppm1      7.990 ppm2      4.342 CV     1
 ASSI {  696}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.400     2.400     1.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13771E-02 ppm1      8.000 ppm2      4.146 CV     1
 ASSI {  697}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.82680E-02 ppm1      7.996 ppm2      2.276 CV     1
 ASSI {  698}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HD21))
      6.000     4.600     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.17974E-03 ppm1      7.979 ppm2      7.187 CV     1
 ASSI {  699}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.700     1.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.36425E-02 ppm1      8.160 ppm2      8.826 CV     1
 ASSI {  700}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.800     1.800     1.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.63098E-03 ppm1      7.986 ppm2      3.610 CV     1
 ASSI {  701}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      5.900     4.400     0.100 peak   701 spectrum    1 weight  0.10000E+01 volume  0.20078E-03 ppm1      7.980 ppm2      3.001 CV     1
 ASSI {  702}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.100     1.100 peak   702 spectrum    1 weight  0.10000E+01 volume  0.26948E-02 ppm1      8.917 ppm2      7.989 CV     1
 ASSI {  703}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 15   and name HD1 ))
      3.000     3.000     3.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.11980E-02 ppm1      8.920 ppm2      6.764 CV     1
 ASSI {  704}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.800     2.900     1.200 peak   704 spectrum    1 weight  0.10000E+01 volume  0.20732E-03 ppm1      8.923 ppm2      4.683 CV     1
 ASSI {  705}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.500     2.700     1.500 peak   705 spectrum    1 weight  0.10000E+01 volume  0.36425E-02 ppm1      8.160 ppm2      4.536 CV     1
 ASSI {  706}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.800     1.000     1.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.84510E-02 ppm1      8.917 ppm2      3.608 CV     1
 ASSI {  707}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.400     1.500     1.500 peak   707 spectrum    1 weight  0.10000E+01 volume  0.22235E-02 ppm1      8.918 ppm2      2.674 CV     1
 ASSI {  708}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      5.600     4.000     0.400 peak   708 spectrum    1 weight  0.10000E+01 volume  0.22203E-03 ppm1      8.926 ppm2      2.274 CV     1
 ASSI {  709}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.300     0.700     0.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.11699E-01 ppm1      8.917 ppm2      1.975 CV     1
 ASSI {  710}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.000     1.100     1.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.33941E-02 ppm1      8.919 ppm2      1.538 CV     1
 ASSI {  711}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak   711 spectrum    1 weight  0.10000E+01 volume  0.83921E-03 ppm1      8.917 ppm2      0.294 CV     1
 ASSI {  712}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.33902E-02 ppm1      8.916 ppm2      5.410 CV     1
 ASSI {  713}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   713 spectrum    1 weight  0.10000E+01 volume  0.25288E-02 ppm1      8.918 ppm2      4.171 CV     1
 ASSI {  714}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.600     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.40758E-04 ppm1      8.913 ppm2      3.898 CV     1
 ASSI {  715}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.500     2.700     1.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.20098E-01 ppm1      8.400 ppm2      4.641 CV     1
 ASSI {  716}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.100     0.500     0.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.20098E-01 ppm1      8.400 ppm2      4.708 CV     1
 ASSI {  717}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.500     2.700     1.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.36425E-02 ppm1      8.160 ppm2      3.782 CV     1
 ASSI {  718}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HD2 ))
      2.900     2.900     3.100 peak   718 spectrum    1 weight  0.10000E+01 volume  0.54529E-02 ppm1      8.400 ppm2      3.499 CV     1
 ASSI {  719}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.700     0.900     0.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.14007E-01 ppm1      8.401 ppm2      2.643 CV     1
 ASSI {  720}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB% ))
      4.500     2.700     1.500 peak   720 spectrum    1 weight  0.10000E+01 volume  0.20098E-01 ppm1      8.400 ppm2      2.641 CV     1
 ASSI {  721}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.600     1.600     1.600 peak   721 spectrum    1 weight  0.10000E+01 volume  0.61196E-03 ppm1      7.455 ppm2      2.404 CV     1
 ASSI {  722}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 101  and name HE% )
      4.600     2.600     1.400 peak   722 spectrum    1 weight  0.10000E+01 volume  0.57301E-03 ppm1      7.459 ppm2      1.423 CV     1
 ASSI {  723}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 104  and name HE% )
      4.700     2.700     1.300 peak   723 spectrum    1 weight  0.10000E+01 volume  0.40229E-03 ppm1      7.457 ppm2      0.698 CV     1
 ASSI {  725}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      4.700     2.800     1.300 peak   725 spectrum    1 weight  0.10000E+01 volume  0.83399E-04 ppm1      8.908 ppm2      0.780 CV     1
 OR {  725}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
 ASSI {  726}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      5.900     4.400     0.100 peak   726 spectrum    1 weight  0.10000E+01 volume  0.82222E-04 ppm1      8.457 ppm2      4.048 CV     1
 ASSI {  727}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.900     1.000     1.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.37732E-02 ppm1      7.455 ppm2      4.334 CV     1
 ASSI {  728}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.800     1.900     1.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.93202E-03 ppm1      7.457 ppm2      4.108 CV     1
 ASSI {  729}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.400     1.400     1.400 peak   729 spectrum    1 weight  0.10000E+01 volume  0.14863E-02 ppm1      7.457 ppm2      3.573 CV     1
 ASSI {  730}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      3.300     1.400     1.400 peak   730 spectrum    1 weight  0.10000E+01 volume  0.59654E-02 ppm1      7.454 ppm2      2.144 CV     1
 ASSI {  732}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.800     2.900     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.18980E-03 ppm1      7.449 ppm2      3.819 CV     1
 ASSI {  733}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      4.000     2.000     2.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.16667E-02 ppm1      7.453 ppm2      2.679 CV     1
 ASSI {  734}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 97   and name HD1%)
      3.300     3.300     2.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.74836E-03 ppm1      7.451 ppm2      0.539 CV     1
 ASSI {  735}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      4.500     2.700     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.36425E-02 ppm1      8.160 ppm2      0.795 CV     1
 ASSI {  736}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.100     4.100     1.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.17974E-03 ppm1      7.446 ppm2     -0.487 CV     1
 ASSI {  737}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.700     1.700     1.700 peak   737 spectrum    1 weight  0.10000E+01 volume  0.10118E-02 ppm1      8.451 ppm2      3.779 CV     1
 ASSI {  738}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.800     1.000     1.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.27386E-02 ppm1      8.455 ppm2      3.571 CV     1
 ASSI {  739}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      2.000     2.000     4.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.17013E-01 ppm1      8.458 ppm2      1.585 CV     1
 ASSI {  740}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 97   and name HD1%)
      2.500     2.500     3.500 peak   740 spectrum    1 weight  0.10000E+01 volume  0.34366E-02 ppm1      8.456 ppm2      0.559 CV     1
 ASSI {  741}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     5.900     0.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.30536E-04 ppm1      8.449 ppm2      7.528 CV     1
 ASSI {  742}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      5.400     3.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.42771E-03 ppm1      8.453 ppm2      0.864 CV     1
 ASSI {  743}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HD2%)
      4.400     2.400     1.600 peak   743 spectrum    1 weight  0.10000E+01 volume  0.24843E-03 ppm1      8.445 ppm2     -0.224 CV     1
 ASSI {  744}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 97   and name HD2%)
      6.000     5.300     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.89412E-04 ppm1      8.443 ppm2     -0.494 CV     1
 ASSI {  745}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      5.000     3.200     1.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.54183E-03 ppm1      7.609 ppm2      2.270 CV     1
 ASSI {  746}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.500     1.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.16320E-02 ppm1      7.594 ppm2      4.716 CV     1
 ASSI {  747}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.900     1.900     1.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.90588E-03 ppm1      7.599 ppm2      3.988 CV     1
 ASSI {  748}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.500     2.700     1.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.54183E-03 ppm1      7.609 ppm2      1.491 CV     1
 ASSI {  749}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.700     0.900     0.900 peak   749 spectrum    1 weight  0.10000E+01 volume  0.51150E-02 ppm1      7.593 ppm2      3.070 CV     1
 ASSI {  750}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak   750 spectrum    1 weight  0.10000E+01 volume  0.78758E-02 ppm1      7.594 ppm2      2.826 CV     1
 ASSI {  751}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HG2 ))
      5.300     3.500     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.40209E-03 ppm1      7.596 ppm2      2.524 CV     1
 ASSI {  752}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.800     1.800     1.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.23000E-02 ppm1      7.597 ppm2      1.911 CV     1
 ASSI {  753}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 36   and name HG  )
      4.500     2.700     1.500 peak   753 spectrum    1 weight  0.10000E+01 volume  0.30098E-02 ppm1      7.934 ppm2      0.795 CV     1
 ASSI {  754}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      3.300     3.300     2.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.36052E-02 ppm1      7.596 ppm2      1.255 CV     1
 ASSI {  755}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      4.500     4.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.67320E-03 ppm1      7.594 ppm2      0.740 CV     1
 ASSI {  756}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      4.500     2.700     1.500 peak   756 spectrum    1 weight  0.10000E+01 volume  0.54124E-02 ppm1      7.333 ppm2      3.531 CV     1
 ASSI {  757}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HB  )
      4.500     2.700     1.500 peak   757 spectrum    1 weight  0.10000E+01 volume  0.30098E-02 ppm1      7.934 ppm2      0.973 CV     1
 ASSI {  758}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.100     2.100     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.48274E-03 ppm1      7.590 ppm2      3.761 CV     1
 ASSI {  759}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      4.500     2.700     1.500 peak   759 spectrum    1 weight  0.10000E+01 volume  0.18007E-03 ppm1      8.444 ppm2      1.173 CV     1
 ASSI {  760}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      5.600     4.000     0.400 peak   760 spectrum    1 weight  0.10000E+01 volume  0.18020E-03 ppm1      9.417 ppm2      8.157 CV     1
 ASSI {  761}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 67   and name HE% )
      3.500     3.500     2.500 peak   761 spectrum    1 weight  0.10000E+01 volume  0.45039E-03 ppm1      9.412 ppm2      6.839 CV     1
 ASSI {  762}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.500     2.700     1.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.54124E-02 ppm1      7.333 ppm2      3.662 CV     1
 ASSI {  763}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.400     0.700     0.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.75163E-02 ppm1      9.412 ppm2      5.847 CV     1
 ASSI {  764}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.400     1.400     1.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13235E-02 ppm1      9.415 ppm2      4.882 CV     1
 ASSI {  765}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      4.900     3.000     1.100 peak   765 spectrum    1 weight  0.10000E+01 volume  0.43444E-03 ppm1      9.411 ppm2      4.094 CV     1
 ASSI {  766}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.500     2.500     1.500 peak   766 spectrum    1 weight  0.10000E+01 volume  0.45640E-03 ppm1      9.422 ppm2      2.677 CV     1
 ASSI {  767}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.800     1.800     1.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.18353E-02 ppm1      9.410 ppm2      1.574 CV     1
 ASSI {  768}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG11))
      3.300     1.400     1.400 peak   768 spectrum    1 weight  0.10000E+01 volume  0.16765E-02 ppm1      9.413 ppm2      1.328 CV     1
 ASSI {  769}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.900     1.900     1.900 peak   769 spectrum    1 weight  0.10000E+01 volume  0.13876E-02 ppm1      9.411 ppm2      1.118 CV     1
 ASSI {  770}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      3.000     1.100     1.100 peak   770 spectrum    1 weight  0.10000E+01 volume  0.44307E-02 ppm1      9.409 ppm2      0.887 CV     1
 ASSI {  771}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HD1%)
      4.800     2.900     1.200 peak   771 spectrum    1 weight  0.10000E+01 volume  0.24288E-03 ppm1      9.417 ppm2      0.491 CV     1
 ASSI {  772}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   772 spectrum    1 weight  0.10000E+01 volume  0.17118E-02 ppm1      8.435 ppm2      4.902 CV     1
 ASSI {  773}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.000     0.500     0.500 peak   773 spectrum    1 weight  0.10000E+01 volume  0.19150E-01 ppm1      8.426 ppm2      4.686 CV     1
 ASSI {  774}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.100     1.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.27124E-02 ppm1      8.431 ppm2      2.317 CV     1
 ASSI {  775}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.300     1.300     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.39392E-02 ppm1      8.431 ppm2      2.045 CV     1
 ASSI {  776}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      2.700     0.900     0.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.84118E-02 ppm1      8.431 ppm2      1.122 CV     1
 ASSI {  777}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.25823E-02 ppm1      8.430 ppm2      0.408 CV     1
 ASSI {  778}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   778 spectrum    1 weight  0.10000E+01 volume  0.67320E-02 ppm1      7.981 ppm2      4.099 CV     1
 ASSI {  779}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      4.900     3.000     1.100 peak   779 spectrum    1 weight  0.10000E+01 volume  0.77778E-03 ppm1      7.980 ppm2      1.763 CV     1
 ASSI {  780}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      4.000     2.000     2.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.10261E-02 ppm1      7.982 ppm2      1.416 CV     1
 ASSI {  781}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 67   and name HD% )
      5.000     3.100     1.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.15869E-03 ppm1      9.409 ppm2      6.969 CV     1
 ASSI {  782}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
      4.100     2.100     1.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.85752E-03 ppm1      9.415 ppm2      1.835 CV     1
 ASSI {  783}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      5.500     3.800     0.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.29915E-03 ppm1      9.409 ppm2      8.670 CV     1
 ASSI {  784}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.000     2.000     2.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.18908E-02 ppm1      7.977 ppm2      1.107 CV     1
 ASSI {  785}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      4.500     2.600     1.500 peak   785 spectrum    1 weight  0.10000E+01 volume  0.82353E-03 ppm1      7.984 ppm2      0.784 CV     1
 ASSI {  786}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.500     1.500 peak   786 spectrum    1 weight  0.10000E+01 volume  0.12595E-02 ppm1      8.832 ppm2      4.270 CV     1
 ASSI {  787}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      3.300     1.300     1.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.16007E-02 ppm1      8.831 ppm2      8.216 CV     1
 ASSI {  788}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      2.800     1.000     1.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.23797E-02 ppm1      8.831 ppm2      5.012 CV     1
 ASSI {  789}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.600     2.700     1.400 peak   789 spectrum    1 weight  0.10000E+01 volume  0.92484E-04 ppm1      8.828 ppm2      4.483 CV     1
 ASSI {  790}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.000     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.21444E-02 ppm1      8.831 ppm2      3.741 CV     1
 ASSI {  791}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA2 ))
      3.300     1.400     1.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.34556E-02 ppm1      8.829 ppm2      3.207 CV     1
 ASSI {  792}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.600     2.600     1.400 peak   792 spectrum    1 weight  0.10000E+01 volume  0.94640E-04 ppm1      8.826 ppm2      2.660 CV     1
 ASSI {  793}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.000     1.100     1.100 peak   793 spectrum    1 weight  0.10000E+01 volume  0.20052E-02 ppm1      8.828 ppm2      1.860 CV     1
 ASSI {  794}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HG1 ))
      4.000     2.000     2.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.18895E-02 ppm1      8.828 ppm2      1.435 CV     1
 ASSI {  795}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 89   and name HD1 )
      4.500     2.700     1.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.30098E-02 ppm1      7.934 ppm2      3.738 CV     1
 ASSI {  796}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.35451E-02 ppm1      7.950 ppm2      4.210 CV     1
 ASSI {  797}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak   797 spectrum    1 weight  0.10000E+01 volume  0.48209E-02 ppm1      7.949 ppm2      3.648 CV     1
 ASSI {  798}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.500     2.700     1.500 peak   798 spectrum    1 weight  0.10000E+01 volume  0.35451E-02 ppm1      7.950 ppm2      8.208 CV     1
 ASSI {  799}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.500     1.500     1.500 peak   799 spectrum    1 weight  0.10000E+01 volume  0.22346E-02 ppm1      7.947 ppm2      1.990 CV     1
 ASSI {  800}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 84   and name HG1%)
      3.900     1.900     1.900 peak   800 spectrum    1 weight  0.10000E+01 volume  0.14131E-02 ppm1      7.947 ppm2     -0.650 CV     1
 ASSI {  801}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      4.300     2.300     1.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.12268E-02 ppm1      7.947 ppm2      4.800 CV     1
 ASSI {  802}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300     0.600     0.600 peak   802 spectrum    1 weight  0.10000E+01 volume  0.10797E-01 ppm1      7.950 ppm2      4.501 CV     1
 ASSI {  803}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.600     0.900     0.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.53915E-02 ppm1      7.948 ppm2      3.925 CV     1
 ASSI {  805}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     3.000     3.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11542E-02 ppm1      7.943 ppm2      1.467 CV     1
 ASSI {  806}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.400     1.400     1.400 peak   806 spectrum    1 weight  0.10000E+01 volume  0.24131E-02 ppm1      7.946 ppm2      1.244 CV     1
 ASSI {  807}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.500     2.700     1.500 peak   807 spectrum    1 weight  0.10000E+01 volume  0.58359E-02 ppm1      7.890 ppm2      8.396 CV     1
 ASSI {  808}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak   808 spectrum    1 weight  0.10000E+01 volume  0.22497E-02 ppm1      7.944 ppm2      0.469 CV     1
 ASSI {  809}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.58359E-02 ppm1      7.890 ppm2      3.995 CV     1
 ASSI {  810}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.300     1.400     1.400 peak   810 spectrum    1 weight  0.10000E+01 volume  0.55229E-02 ppm1      7.897 ppm2      1.548 CV     1
 ASSI {  811}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      3.300     1.400     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.63961E-03 ppm1      7.887 ppm2      0.774 CV     1
 ASSI {  812}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.75621E-02 ppm1      9.473 ppm2      7.658 CV     1
 ASSI {  813}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.93072E-03 ppm1      9.476 ppm2      4.480 CV     1
 ASSI {  814}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.58386E-02 ppm1      9.474 ppm2      3.982 CV     1
 ASSI {  815}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     1.500     1.500 peak   815 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      9.468 ppm2      3.751 CV     1
 ASSI {  816}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 89   and name HD2 ))
      6.000     6.000     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10595E-03 ppm1      9.469 ppm2      3.500 CV     1
 ASSI {  817}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HE% ))
      4.500     2.700     1.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.75621E-02 ppm1      9.473 ppm2      2.841 CV     1
 ASSI {  818}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.600     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.16634E-03 ppm1      9.472 ppm2      3.047 CV     1
 ASSI {  819}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      4.600     2.700     1.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.98954E-03 ppm1      9.469 ppm2      2.827 CV     1
 ASSI {  820}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HG2 ))
      3.700     1.700     1.700 peak   820 spectrum    1 weight  0.10000E+01 volume  0.82941E-03 ppm1      9.471 ppm2      2.485 CV     1
 ASSI {  821}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      3.100     1.200     1.200 peak   821 spectrum    1 weight  0.10000E+01 volume  0.24856E-02 ppm1      9.473 ppm2      2.225 CV     1
 ASSI {  822}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.100     1.200     1.200 peak   822 spectrum    1 weight  0.10000E+01 volume  0.66470E-02 ppm1      9.472 ppm2      1.825 CV     1
 ASSI {  823}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.400     0.700     0.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.68758E-02 ppm1      9.472 ppm2      1.525 CV     1
 ASSI {  824}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      4.200     2.200     1.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.80653E-03 ppm1      9.468 ppm2      1.270 CV     1
 ASSI {  825}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      3.400     1.500     1.500 peak   825 spectrum    1 weight  0.10000E+01 volume  0.36869E-02 ppm1      9.476 ppm2      0.764 CV     1
 ASSI {  826}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.16039E-01 ppm1      7.892 ppm2      4.468 CV     1
 ASSI {  827}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.400     1.500     1.500 peak   827 spectrum    1 weight  0.10000E+01 volume  0.18039E-02 ppm1      7.894 ppm2      1.026 CV     1
 ASSI {  828}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      4.400     2.400     1.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.46020E-03 ppm1      7.886 ppm2      2.666 CV     1
 ASSI {  829}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HG1 ))
      4.500     2.700     1.500 peak   829 spectrum    1 weight  0.10000E+01 volume  0.75621E-02 ppm1      9.473 ppm2      1.296 CV     1
 ASSI {  830}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      5.800     4.200     0.200 peak   830 spectrum    1 weight  0.10000E+01 volume  0.17274E-03 ppm1      8.869 ppm2      8.360 CV     1
 ASSI {  831}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      4.900     3.000     1.100 peak   831 spectrum    1 weight  0.10000E+01 volume  0.24503E-03 ppm1      8.864 ppm2      2.579 CV     1
 ASSI {  832}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      3.500     1.600     1.600 peak   832 spectrum    1 weight  0.10000E+01 volume  0.13353E-02 ppm1      8.861 ppm2      7.494 CV     1
 ASSI {  833}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.98627E-02 ppm1      8.129 ppm2      4.233 CV     1
 ASSI {  834}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      2.600     2.600     3.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.74771E-02 ppm1      8.129 ppm2      3.737 CV     1
 ASSI {  835}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   835 spectrum    1 weight  0.10000E+01 volume  0.38307E-02 ppm1      8.132 ppm2      1.932 CV     1
 ASSI {  836}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.500     2.500     1.500 peak   836 spectrum    1 weight  0.10000E+01 volume  0.42176E-03 ppm1      8.126 ppm2      1.293 CV     1
 ASSI {  837}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.800     2.800     1.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.41804E-03 ppm1      8.132 ppm2      0.685 CV     1
 ASSI {  838}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 39   and name HD1 ))
      3.000     3.000     3.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.54124E-02 ppm1      7.333 ppm2      6.657 CV     1
 ASSI {  839}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.84248E-02 ppm1      7.332 ppm2      4.659 CV     1
 ASSI {  840}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.500     1.500     1.500 peak   840 spectrum    1 weight  0.10000E+01 volume  0.18183E-02 ppm1      7.333 ppm2      4.066 CV     1
 ASSI {  841}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.300     1.400     1.400 peak   841 spectrum    1 weight  0.10000E+01 volume  0.33013E-02 ppm1      7.334 ppm2      3.565 CV     1
 ASSI {  842}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.400     1.400     1.400 peak   842 spectrum    1 weight  0.10000E+01 volume  0.18752E-02 ppm1      7.338 ppm2      1.742 CV     1
 ASSI {  843}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.400     0.700     0.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.57902E-02 ppm1      7.332 ppm2      1.499 CV     1
 ASSI {  844}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
      3.900     1.900     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.26608E-02 ppm1      7.335 ppm2      1.231 CV     1
 ASSI {  845}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      4.500     2.700     1.500 peak   845 spectrum    1 weight  0.10000E+01 volume  0.75621E-02 ppm1      9.473 ppm2      4.755 CV     1
 ASSI {  846}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      4.500     2.700     1.500 peak   846 spectrum    1 weight  0.10000E+01 volume  0.75621E-02 ppm1      9.473 ppm2      2.224 CV     1
 ASSI {  847}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      4.800     2.900     1.200 peak   847 spectrum    1 weight  0.10000E+01 volume  0.19359E-03 ppm1      7.336 ppm2      0.163 CV     1
 ASSI {  848}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 67   and name HD% )
      5.800     4.300     0.200 peak   848 spectrum    1 weight  0.10000E+01 volume  0.20131E-03 ppm1      7.329 ppm2      6.938 CV     1
 OR {  848}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 43   and name HH2 ))
 ASSI {  849}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 84   and name HB  ))
      5.400     3.600     0.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.19157E-03 ppm1      7.327 ppm2      0.986 CV     1
 ASSI {  850}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.500     2.700     1.500 peak   850 spectrum    1 weight  0.10000E+01 volume  0.75621E-02 ppm1      9.473 ppm2      4.547 CV     1
 ASSI {  851}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      5.800     4.200     0.200 peak   851 spectrum    1 weight  0.10000E+01 volume  0.15928E-03 ppm1      8.864 ppm2      4.183 CV     1
 ASSI {  852}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 70   and name HZ2 ))
      5.600     3.900     0.400 peak   852 spectrum    1 weight  0.10000E+01 volume  0.17739E-03 ppm1      8.857 ppm2      6.915 CV     1
 ASSI {  853}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.400     1.400 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10523E-02 ppm1      8.856 ppm2      5.377 CV     1
 ASSI {  854}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      5.000     3.200     1.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.24993E-02 ppm1      8.198 ppm2      3.747 CV     1
 ASSI {  855}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.10882E-01 ppm1      8.857 ppm2      4.690 CV     1
 ASSI {  856}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.100     1.200     1.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.27608E-02 ppm1      8.866 ppm2      3.873 CV     1
 ASSI {  857}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.700     1.800     1.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.18346E-02 ppm1      8.856 ppm2      2.972 CV     1
 ASSI {  858}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      3.500     1.500     1.500 peak   858 spectrum    1 weight  0.10000E+01 volume  0.19065E-02 ppm1      8.856 ppm2      1.129 CV     1
 ASSI {  859}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      5.200     3.300     0.800 peak   859 spectrum    1 weight  0.10000E+01 volume  0.18562E-03 ppm1      8.854 ppm2      0.765 CV     1
 ASSI {  860}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.700     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.83660E-04 ppm1      8.797 ppm2      2.425 CV     1
 ASSI {  861}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      4.500     2.700     1.500 peak   861 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      8.784 ppm2      3.659 CV     1
 ASSI {  862}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.000     2.000     2.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      8.784 ppm2      8.188 CV     1
 ASSI {  863}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.300     0.700     0.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.11078E-01 ppm1      8.788 ppm2      4.892 CV     1
 ASSI {  864}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   864 spectrum    1 weight  0.10000E+01 volume  0.17046E-02 ppm1      8.791 ppm2      4.613 CV     1
 ASSI {  865}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.600     1.600     1.600 peak   865 spectrum    1 weight  0.10000E+01 volume  0.97385E-03 ppm1      8.785 ppm2      4.198 CV     1
 ASSI {  866}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.200     1.300     1.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.19667E-02 ppm1      8.788 ppm2      3.926 CV     1
 ASSI {  867}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      5.600     3.900     0.400 peak   867 spectrum    1 weight  0.10000E+01 volume  0.16627E-03 ppm1      8.787 ppm2      3.623 CV     1
 ASSI {  868}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      5.200     3.400     0.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.16784E-03 ppm1      8.786 ppm2      1.699 CV     1
 ASSI {  869}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      2.200     0.600     0.600 peak   869 spectrum    1 weight  0.10000E+01 volume  0.10451E-01 ppm1      8.786 ppm2      1.403 CV     1
 ASSI {  870}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      2.600     0.800     0.800 peak   870 spectrum    1 weight  0.10000E+01 volume  0.83333E-02 ppm1      8.788 ppm2      1.056 CV     1
 ASSI {  871}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.500     2.700     1.500 peak   871 spectrum    1 weight  0.10000E+01 volume  0.17745E-02 ppm1      8.198 ppm2      1.963 CV     1
 ASSI {  872}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.700     1.700     1.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.23582E-02 ppm1      8.787 ppm2      0.442 CV     1
 ASSI {  873}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   873 spectrum    1 weight  0.10000E+01 volume  0.17745E-02 ppm1      8.198 ppm2      5.060 CV     1
 ASSI {  874}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   874 spectrum    1 weight  0.10000E+01 volume  0.88039E-02 ppm1      8.194 ppm2      4.459 CV     1
 ASSI {  875}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     3.200     2.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.84967E-03 ppm1      8.196 ppm2      4.201 CV     1
 ASSI {  876}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.400     2.400     1.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.41823E-03 ppm1      8.197 ppm2      3.984 CV     1
 ASSI {  877}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak   877 spectrum    1 weight  0.10000E+01 volume  0.34856E-02 ppm1      8.197 ppm2      3.688 CV     1
 ASSI {  878}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.600     1.600     1.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      8.196 ppm2      2.292 CV     1
 ASSI {  879}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.900     1.900     1.900 peak   879 spectrum    1 weight  0.10000E+01 volume  0.24993E-02 ppm1      8.198 ppm2      1.949 CV     1
 ASSI {  880}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      6.000     6.000     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.32471E-04 ppm1      8.202 ppm2      1.478 CV     1
 ASSI {  881}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.800     1.800     1.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.14719E-02 ppm1      8.197 ppm2      0.726 CV     1
 ASSI {  882}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HD1 ))
      5.800     4.200     0.200 peak   882 spectrum    1 weight  0.10000E+01 volume  0.13686E-03 ppm1      9.506 ppm2      3.731 CV     1
 ASSI {  883}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      9.500 ppm2      7.885 CV     1
 ASSI {  884}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   884 spectrum    1 weight  0.10000E+01 volume  0.69477E-02 ppm1      9.496 ppm2      4.684 CV     1
 ASSI {  885}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      5.200     3.300     0.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.32935E-03 ppm1      9.491 ppm2      4.443 CV     1
 ASSI {  886}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.200     2.200     3.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.19261E-01 ppm1      9.496 ppm2      4.213 CV     1
 ASSI {  887}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      3.000     1.100     1.100 peak   887 spectrum    1 weight  0.10000E+01 volume  0.34333E-02 ppm1      9.496 ppm2      2.841 CV     1
 ASSI {  888}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      3.600     1.600     1.600 peak   888 spectrum    1 weight  0.10000E+01 volume  0.25935E-02 ppm1      9.496 ppm2      2.175 CV     1
 ASSI {  889}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      3.000     3.000     3.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.43817E-02 ppm1      9.496 ppm2      1.922 CV     1
 ASSI {  890}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      4.000     2.000     2.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.21157E-02 ppm1      9.499 ppm2      1.538 CV     1
 ASSI {  891}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      5.900     4.400     0.100 peak   891 spectrum    1 weight  0.10000E+01 volume  0.18098E-03 ppm1      9.491 ppm2      1.293 CV     1
 ASSI {  892}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.500     2.700     1.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.18477E-01 ppm1      8.074 ppm2      1.398 CV     1
 ASSI {  893}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.500     1.800     1.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.18477E-01 ppm1      8.074 ppm2      4.677 CV     1
 ASSI {  894}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   894 spectrum    1 weight  0.10000E+01 volume  0.25144E-02 ppm1      8.075 ppm2      4.433 CV     1
 ASSI {  895}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.600     1.600     1.600 peak   895 spectrum    1 weight  0.10000E+01 volume  0.30457E-02 ppm1      8.075 ppm2      2.668 CV     1
 ASSI {  896}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.400     1.400 peak   896 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      8.075 ppm2      2.453 CV     1
 ASSI {  897}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HG% ))
      4.500     2.700     1.500 peak   897 spectrum    1 weight  0.10000E+01 volume  0.35451E-02 ppm1      7.950 ppm2      2.018 CV     1
 ASSI {  898}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.200     1.300     1.300 peak   898 spectrum    1 weight  0.10000E+01 volume  0.35556E-02 ppm1      8.073 ppm2      1.082 CV     1
 ASSI {  899}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      3.500     1.500     1.500 peak   899 spectrum    1 weight  0.10000E+01 volume  0.16320E-02 ppm1      8.065 ppm2      4.085 CV     1
 ASSI {  900}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      5.700     4.000     0.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.12444E-03 ppm1      8.068 ppm2      0.795 CV     1
 ASSI {  901}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      3.900     1.900     1.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.83791E-03 ppm1      8.073 ppm2      1.374 CV     1
 ASSI {  902}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.500     2.600     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.82418E-03 ppm1      8.377 ppm2      5.126 CV     1
 ASSI {  903}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 70   and name HZ2 ))
      3.300     1.300     1.300 peak   903 spectrum    1 weight  0.10000E+01 volume  0.16105E-02 ppm1      8.376 ppm2      6.945 CV     1
 ASSI {  904}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.76601E-02 ppm1      8.378 ppm2      5.379 CV     1
 ASSI {  905}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.100     2.100     1.900 peak   905 spectrum    1 weight  0.10000E+01 volume  0.11464E-02 ppm1      8.383 ppm2      4.663 CV     1
 ASSI {  906}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.800     1.000     1.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.30020E-02 ppm1      8.373 ppm2      4.140 CV     1
 ASSI {  907}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      3.800     1.800     1.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      8.373 ppm2      2.627 CV     1
 ASSI {  908}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      4.300     2.300     1.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.11242E-02 ppm1      8.375 ppm2      1.428 CV     1
 ASSI {  909}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   909 spectrum    1 weight  0.10000E+01 volume  0.10000E-01 ppm1      8.400 ppm2      4.935 CV     1
 ASSI {  910}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      4.100     2.100     1.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.42353E-03 ppm1      8.409 ppm2      4.336 CV     1
 ASSI {  911}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      5.100     3.300     0.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.31399E-03 ppm1      8.401 ppm2      2.133 CV     1
 ASSI {  912}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.500     1.500     1.500 peak   912 spectrum    1 weight  0.10000E+01 volume  0.16013E-02 ppm1      8.402 ppm2      0.856 CV     1
 ASSI {  913}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 98   and name HD1%)
      4.100     2.100     1.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.80784E-03 ppm1      8.409 ppm2      0.638 CV     1
 ASSI {  914}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.200     1.300     1.300 peak   914 spectrum    1 weight  0.10000E+01 volume  0.22431E-02 ppm1      8.408 ppm2      3.797 CV     1
 ASSI {  915}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.300     2.300     1.700 peak   915 spectrum    1 weight  0.10000E+01 volume  0.47699E-03 ppm1      8.399 ppm2      2.929 CV     1
 ASSI {  916}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      2.500     0.800     0.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.73137E-02 ppm1      8.418 ppm2      1.149 CV     1
 ASSI {  917}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.500     1.500 peak   917 spectrum    1 weight  0.10000E+01 volume  0.13850E-02 ppm1      8.099 ppm2      4.360 CV     1
 ASSI {  918}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.100     0.600     0.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.17660E-01 ppm1      8.098 ppm2      4.131 CV     1
 ASSI {  919}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.600     1.600     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.31274E-02 ppm1      8.096 ppm2      3.002 CV     1
 ASSI {  920}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak   920 spectrum    1 weight  0.10000E+01 volume  0.26948E-02 ppm1      8.099 ppm2      2.788 CV     1
 ASSI {  921}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.100     2.100     1.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.77843E-03 ppm1      8.098 ppm2      2.266 CV     1
 ASSI {  922}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.900     1.900     1.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.14157E-02 ppm1      8.101 ppm2      1.961 CV     1
 ASSI {  923}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.700     3.700     2.300 peak   923 spectrum    1 weight  0.10000E+01 volume  0.37640E-03 ppm1      8.103 ppm2      1.544 CV     1
 ASSI {  924}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      5.500     3.800     0.500 peak   924 spectrum    1 weight  0.10000E+01 volume  0.12359E-03 ppm1      8.091 ppm2      5.397 CV     1
 ASSI {  925}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.500     2.700     1.500 peak   925 spectrum    1 weight  0.10000E+01 volume  0.35451E-02 ppm1      7.950 ppm2      8.767 CV     1
 ASSI {  926}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      5.700     4.100     0.300 peak   926 spectrum    1 weight  0.10000E+01 volume  0.17039E-03 ppm1      8.097 ppm2      4.647 CV     1
 ASSI {  927}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      3.800     1.900     1.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.69150E-03 ppm1      7.715 ppm2      6.221 CV     1
 ASSI {  928}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.900     3.000     1.100 peak   928 spectrum    1 weight  0.10000E+01 volume  0.18366E-03 ppm1      7.718 ppm2      5.274 CV     1
 ASSI {  929}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.200     0.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.20373E-01 ppm1      7.720 ppm2      4.612 CV     1
 ASSI {  930}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.48196E-02 ppm1      7.724 ppm2      3.713 CV     1
 ASSI {  931}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.900     1.900     1.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.82549E-03 ppm1      7.715 ppm2      3.415 CV     1
 ASSI {  932}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.200     1.300     1.300 peak   932 spectrum    1 weight  0.10000E+01 volume  0.22281E-02 ppm1      7.720 ppm2      3.278 CV     1
 ASSI {  933}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      4.200     2.200     1.800 peak   933 spectrum    1 weight  0.10000E+01 volume  0.18072E-02 ppm1      7.720 ppm2      3.021 CV     1
 ASSI {  934}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.300     1.400     1.400 peak   934 spectrum    1 weight  0.10000E+01 volume  0.26176E-02 ppm1      7.719 ppm2      2.739 CV     1
 ASSI {  935}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.500     2.700     1.500 peak   935 spectrum    1 weight  0.10000E+01 volume  0.16451E-03 ppm1      9.486 ppm2      1.537 CV     1
 ASSI {  936}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.700     1.700 peak   936 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      7.706 ppm2      1.767 CV     1
 ASSI {  937}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      3.400     1.400     1.400 peak   937 spectrum    1 weight  0.10000E+01 volume  0.18209E-02 ppm1      7.351 ppm2      2.024 CV     1
 ASSI {  938}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.500     2.700     1.500 peak   938 spectrum    1 weight  0.10000E+01 volume  0.18209E-02 ppm1      7.351 ppm2      4.557 CV     1
 ASSI {  939}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      5.600     4.000     0.400 peak   939 spectrum    1 weight  0.10000E+01 volume  0.18039E-03 ppm1      8.512 ppm2      2.135 CV     1
 ASSI {  940}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.600     0.900     0.900 peak   940 spectrum    1 weight  0.10000E+01 volume  0.50451E-02 ppm1      8.507 ppm2      7.508 CV     1
 ASSI {  941}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      5.100     3.200     0.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.48255E-03 ppm1      8.505 ppm2      4.403 CV     1
 ASSI {  942}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.35457E-02 ppm1      8.509 ppm2      4.163 CV     1
 ASSI {  943}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.500     2.700     1.500 peak   943 spectrum    1 weight  0.10000E+01 volume  0.18209E-02 ppm1      7.351 ppm2      4.523 CV     1
 ASSI {  944}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.100     3.100     2.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.92222E-03 ppm1      8.500 ppm2      1.889 CV     1
 ASSI {  945}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      3.600     1.600     1.600 peak   945 spectrum    1 weight  0.10000E+01 volume  0.24634E-02 ppm1      8.505 ppm2      1.448 CV     1
 ASSI {  946}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 98   and name HD1%)
      4.200     2.200     1.800 peak   946 spectrum    1 weight  0.10000E+01 volume  0.14673E-02 ppm1      8.505 ppm2      0.594 CV     1
 ASSI {  947}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.45242E-02 ppm1      8.343 ppm2      7.679 CV     1
 ASSI {  948}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   948 spectrum    1 weight  0.10000E+01 volume  0.11608E-01 ppm1      8.349 ppm2      4.120 CV     1
 ASSI {  949}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.11444E-01 ppm1      8.340 ppm2      3.787 CV     1
 ASSI {  950}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HZ3 ))
      4.400     2.400     1.600 peak   950 spectrum    1 weight  0.10000E+01 volume  0.11274E-02 ppm1      8.216 ppm2      6.698 CV     1
 ASSI {  951}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     6.000     0.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.31608E-04 ppm1      8.208 ppm2      5.323 CV     1
 ASSI {  952}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.200     1.200 peak   952 spectrum    1 weight  0.10000E+01 volume  0.22294E-02 ppm1      7.351 ppm2      4.467 CV     1
 ASSI {  953}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.400     1.400 peak   953 spectrum    1 weight  0.10000E+01 volume  0.16935E-02 ppm1      7.349 ppm2      2.624 CV     1
 ASSI {  954}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      4.200     2.300     1.800 peak   954 spectrum    1 weight  0.10000E+01 volume  0.24948E-02 ppm1      7.347 ppm2      1.339 CV     1
 ASSI {  955}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      5.600     3.900     0.400 peak   955 spectrum    1 weight  0.10000E+01 volume  0.11686E-03 ppm1      7.342 ppm2      1.050 CV     1
 ASSI {  956}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      4.200     2.200     1.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.47608E-03 ppm1      7.349 ppm2      0.803 CV     1
 ASSI {  957}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG1%)
      2.800     0.900     0.900 peak   957 spectrum    1 weight  0.10000E+01 volume  0.53229E-02 ppm1      7.353 ppm2      0.556 CV     1
 ASSI {  958}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      6.000     5.000     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.35654E-04 ppm1      7.343 ppm2      4.994 CV     1
 ASSI {  959}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 94   and name HA2 ))
      5.600     4.000     0.400 peak   959 spectrum    1 weight  0.10000E+01 volume  0.28059E-03 ppm1      7.338 ppm2      3.164 CV     1
 ASSI {  960}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.200     1.200     1.200 peak   960 spectrum    1 weight  0.10000E+01 volume  0.18288E-02 ppm1      7.030 ppm2      4.537 CV     1
 ASSI {  961}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HD2 ))
      5.000     3.100     1.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.95555E-04 ppm1      7.033 ppm2      3.509 CV     1
 ASSI {  962}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.600     0.800     0.800 peak   962 spectrum    1 weight  0.10000E+01 volume  0.63438E-02 ppm1      7.032 ppm2      4.241 CV     1
 ASSI {  963}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HD1 ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.34222E-02 ppm1      7.027 ppm2      3.758 CV     1
 ASSI {  964}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 35   and name HE1 ))
      5.300     3.400     0.700 peak   964 spectrum    1 weight  0.10000E+01 volume  0.24196E-03 ppm1      7.030 ppm2      2.799 CV     1
 ASSI {  965}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      3.400     1.400     1.400 peak   965 spectrum    1 weight  0.10000E+01 volume  0.17333E-02 ppm1      7.029 ppm2      2.278 CV     1
 ASSI {  966}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      2.700     0.900     0.900 peak   966 spectrum    1 weight  0.10000E+01 volume  0.11582E-01 ppm1      7.024 ppm2      1.977 CV     1
 ASSI {  967}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.900     1.100     1.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.37725E-02 ppm1      7.028 ppm2      1.637 CV     1
 ASSI {  968}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      3.000     3.000     3.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.10000E-01 ppm1      7.027 ppm2      1.351 CV     1
 ASSI {  969}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.900     1.900     1.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.53248E-03 ppm1      7.022 ppm2      1.030 CV     1
 ASSI {  970}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      4.000     2.000     2.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.37013E-02 ppm1      7.022 ppm2      0.805 CV     1
 ASSI {  971}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      4.500     2.500     1.500 peak   971 spectrum    1 weight  0.10000E+01 volume  0.18209E-02 ppm1      7.351 ppm2      8.866 CV     1
 ASSI {  972}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
      4.100     2.100     1.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.11588E-02 ppm1      8.349 ppm2      1.773 CV     1
 ASSI {  973}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
      5.000     3.100     1.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.35797E-03 ppm1      8.346 ppm2      0.973 CV     1
 ASSI {  974}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 55   and name HG2%)
      5.400     3.700     0.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.47529E-03 ppm1      8.344 ppm2      0.706 CV     1
 ASSI {  975}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.45477E-02 ppm1      8.336 ppm2      8.034 CV     1
 ASSI {  976}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.500     2.700     1.500 peak   976 spectrum    1 weight  0.10000E+01 volume  0.16451E-03 ppm1      9.486 ppm2      0.800 CV     1
 ASSI {  977}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
      3.600     1.600     1.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1      8.337 ppm2      1.207 CV     1
 ASSI {  978}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak   978 spectrum    1 weight  0.10000E+01 volume  0.83660E-02 ppm1      8.212 ppm2      7.940 CV     1
 ASSI {  979}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.000     1.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.44105E-02 ppm1      8.212 ppm2      4.643 CV     1
 ASSI {  980}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   980 spectrum    1 weight  0.10000E+01 volume  0.22091E-02 ppm1      8.213 ppm2      4.321 CV     1
 ASSI {  981}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      3.300     1.400     1.400 peak   981 spectrum    1 weight  0.10000E+01 volume  0.97451E-03 ppm1      8.212 ppm2      3.763 CV     1
 ASSI {  982}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      3.900     1.900     1.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.20621E-02 ppm1      8.211 ppm2      3.493 CV     1
 ASSI {  983}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.700     0.900     0.900 peak   983 spectrum    1 weight  0.10000E+01 volume  0.64497E-02 ppm1      8.213 ppm2      2.972 CV     1
 ASSI {  984}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.47529E-02 ppm1      8.213 ppm2      2.698 CV     1
 ASSI {  985}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.74836E-03 ppm1      8.211 ppm2      2.360 CV     1
 ASSI {  986}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.500     1.500     1.500 peak   986 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      8.213 ppm2      1.894 CV     1
 ASSI {  987}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.300     1.300 peak   987 spectrum    1 weight  0.10000E+01 volume  0.11405E-02 ppm1      8.212 ppm2      1.378 CV     1
 ASSI {  988}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      6.000     6.000     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.31150E-04 ppm1      8.208 ppm2      0.630 CV     1
 ASSI {  989}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.000     2.000     2.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      8.211 ppm2      0.172 CV     1
 ASSI {  990}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.600     2.700     1.400 peak   990 spectrum    1 weight  0.10000E+01 volume  0.35993E-03 ppm1      8.209 ppm2      4.090 CV     1
 ASSI {  991}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA2 ))
      2.700     0.900     0.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.34745E-02 ppm1      8.400 ppm2      3.194 CV     1
 ASSI {  992}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.900     1.900     1.900 peak   992 spectrum    1 weight  0.10000E+01 volume  0.63640E-03 ppm1      8.395 ppm2      1.373 CV     1
 ASSI {  993}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      4.200     2.300     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.34464E-03 ppm1      8.401 ppm2      2.830 CV     1
 ASSI {  994}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HB  ))
      4.500     2.700     1.500 peak   994 spectrum    1 weight  0.10000E+01 volume  0.16451E-03 ppm1      9.486 ppm2      1.637 CV     1
 ASSI {  995}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   995 spectrum    1 weight  0.10000E+01 volume  0.72418E-02 ppm1      8.391 ppm2      5.088 CV     1
 ASSI {  996}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.100     1.100 peak   996 spectrum    1 weight  0.10000E+01 volume  0.33823E-02 ppm1      8.391 ppm2      4.481 CV     1
 ASSI {  997}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 92   and name HD1%)
      4.200     2.200     1.800 peak   997 spectrum    1 weight  0.10000E+01 volume  0.15529E-03 ppm1      8.384 ppm2      0.743 CV     1
 ASSI {  998}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.67386E-02 ppm1      8.948 ppm2      4.243 CV     1
 ASSI {  999}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      5.100     3.300     0.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.21922E-03 ppm1      8.950 ppm2      3.052 CV     1
 ASSI { 1000}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.600     1.600     1.600 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.21575E-02 ppm1      8.951 ppm2      2.865 CV     1
 ASSI { 1001}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.700     2.700     1.300 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.25091E-03 ppm1      8.952 ppm2      2.566 CV     1
 ASSI { 1002}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.62104E-02 ppm1      8.402 ppm2      7.683 CV     1
 ASSI { 1003}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.13739E-01 ppm1      8.396 ppm2      4.192 CV     1
 ASSI { 1004}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA1 ))
      2.700     0.900     0.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.70915E-02 ppm1      8.401 ppm2      3.933 CV     1
 ASSI { 1005}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      2.300     0.700     0.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.12693E-01 ppm1      8.401 ppm2      3.710 CV     1
 ASSI { 1006}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.100     1.200     1.200 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.53555E-02 ppm1      8.406 ppm2      1.720 CV     1
 ASSI { 1007}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.900     1.900     1.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.17556E-02 ppm1      8.398 ppm2      1.483 CV     1
 ASSI { 1008}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
      6.000     4.800     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.19065E-03 ppm1      8.400 ppm2      1.266 CV     1
 ASSI { 1009}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 55   and name HG2%)
      4.900     3.000     1.100 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.60229E-03 ppm1      8.402 ppm2      0.704 CV     1
 ASSI { 1010}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
      6.000     4.800     0.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.13033E-03 ppm1      8.400 ppm2      0.977 CV     1
 ASSI { 1011}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.38510E-02 ppm1      8.276 ppm2      7.379 CV     1
 ASSI { 1012}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      4.700     2.800     1.300 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.65621E-03 ppm1      8.276 ppm2      4.941 CV     1
 ASSI { 1013}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      3.300     1.300     1.300 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.31477E-02 ppm1      8.275 ppm2      4.109 CV     1
 ASSI { 1014}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.600     0.800     0.800 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.46967E-02 ppm1      8.278 ppm2      3.591 CV     1
 ASSI { 1015}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      6.000     5.100     0.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.35974E-04 ppm1      8.281 ppm2      2.906 CV     1
 ASSI { 1016}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      6.000     6.000     0.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.30627E-04 ppm1      8.278 ppm2      2.133 CV     1
 ASSI { 1017}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.400     2.400     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.48235E-03 ppm1      8.273 ppm2      3.823 CV     1
 ASSI { 1018}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      5.700     4.000     0.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.19274E-03 ppm1      8.280 ppm2      1.394 CV     1
 ASSI { 1019}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      5.600     3.900     0.400 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.98170E-04 ppm1      8.280 ppm2      0.824 CV     1
 ASSI { 1020}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.500     2.700     1.500 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.62104E-02 ppm1      8.402 ppm2      4.252 CV     1
 ASSI { 1021}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.400     2.400     1.600 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.39229E-03 ppm1      6.238 ppm2      1.742 CV     1
 ASSI { 1022}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 101  and name HE% )
      5.900     4.300     0.100 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.98301E-04 ppm1      6.245 ppm2      1.373 CV     1
 ASSI { 1023}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.100     1.100 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.49863E-02 ppm1      6.240 ppm2      3.683 CV     1
 ASSI { 1024}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.600     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.41405E-02 ppm1      6.232 ppm2      3.346 CV     1
 ASSI { 1025}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG% ))
      4.500     2.700     1.500 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.62104E-02 ppm1      8.402 ppm2      1.557 CV     1
 ASSI { 1026}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 79   and name HD2%)
      6.000     6.000     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.36189E-04 ppm1      6.240 ppm2      0.657 CV     1
 ASSI { 1027}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.65490E-03 ppm1      6.225 ppm2      5.266 CV     1
 ASSI { 1028}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      4.500     2.700     1.500 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.16451E-03 ppm1      9.486 ppm2      7.948 CV     1
 ASSI { 1029}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      5.500     3.800     0.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.26412E-03 ppm1      6.226 ppm2      2.609 CV     1
 ASSI { 1030}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      5.100     3.300     0.900 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.16039E-03 ppm1      6.234 ppm2      1.470 CV     1
 ASSI { 1031}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.800     2.900     1.200 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.45817E-03 ppm1      6.223 ppm2      4.987 CV     1
 ASSI { 1032}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 89   and name HD1 ))
      4.500     2.700     1.500 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.16451E-03 ppm1      9.486 ppm2      3.747 CV     1
 ASSI { 1033}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.000     1.100     1.100 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.34150E-02 ppm1      7.712 ppm2      1.723 CV     1
 ASSI { 1034}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.400     1.400     1.400 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.20634E-02 ppm1      7.713 ppm2      0.709 CV     1
 ASSI { 1035}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.500     2.700     1.500 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.21327E-02 ppm1      7.908 ppm2      0.789 CV     1
 ASSI { 1036}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      3.400     1.500     1.500 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.46961E-02 ppm1      8.222 ppm2      1.386 CV     1
 ASSI { 1037}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.600     1.600 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.10915E-02 ppm1      7.984 ppm2      4.279 CV     1
 ASSI { 1038}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.000     3.200     1.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.50033E-03 ppm1      8.127 ppm2      7.888 CV     1
 ASSI { 1039}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.500     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.51830E-03 ppm1      9.039 ppm2      8.749 CV     1
 ASSI { 1040}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.200     0.600     0.600 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.73268E-02 ppm1      9.658 ppm2      5.380 CV     1
 ASSI { 1041}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      6.000     5.600     0.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.77908E-04 ppm1      9.606 ppm2      0.467 CV     1
 ASSI { 1042}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.38889E-02 ppm1      8.763 ppm2      4.753 CV     1
 ASSI {  1043}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.700     1.500 peak   1043 spectrum    1 weight  0.10000E+01 volume  0.21327E-02 ppm1      7.908 ppm2      9.493 CV     1
 ASSI { 1044}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.100     1.100 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.30902E-02 ppm1      8.281 ppm2      4.960 CV     1
 ASSI { 1045}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.700     1.700     1.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.37902E-02 ppm1      8.553 ppm2      0.859 CV     1
 ASSI  { 1046}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 85   and name HB  ))
      4.500     2.700     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.21327E-02 ppm1      7.908 ppm2      1.648 CV     1
 ASSI { 1047}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      4.600     2.700     1.400 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.45516E-03 ppm1      8.804 ppm2      1.447 CV     1
 ASSI { 1048}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      5.400     3.600     0.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.20059E-03 ppm1      9.088 ppm2      8.795 CV     1
 ASSI { 1049}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.900     1.900     1.900 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.15281E-02 ppm1      9.475 ppm2      0.833 CV     1
 ASSI { 1050}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      4.500     2.700     1.500 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.21327E-02 ppm1      7.908 ppm2      2.840 CV     1
 ASSI { 1051}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.200     1.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.20131E-02 ppm1      7.757 ppm2      7.567 CV     1
 ASSI { 1052}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.700     1.700     1.700 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.11379E-02 ppm1      7.755 ppm2      3.780 CV     1
 ASSI { 1053}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      4.100     2.100     1.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.74118E-03 ppm1      7.758 ppm2      2.824 CV     1
 ASSI { 1054}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.900     0.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.14052E-03 ppm1      8.212 ppm2      2.250 CV     1
 ASSI { 1055}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.300     1.300     1.300 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.14784E-02 ppm1      7.935 ppm2      2.947 CV     1
 ASSI { 1056}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.300     0.700     0.700 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.78431E-02 ppm1      8.434 ppm2      4.677 CV     1
 ASSI { 1057}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      3.800     1.800     1.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.13137E-02 ppm1      8.431 ppm2      1.373 CV     1
 ASSI { 1058}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.75425E-02 ppm1      8.339 ppm2      4.469 CV     1
 ASSI { 1059}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.200     1.200 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.21353E-02 ppm1      7.892 ppm2      4.141 CV     1
 ASSI { 1060}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      4.500     2.500     1.500 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.50405E-03 ppm1      8.347 ppm2      3.957 CV     1
 ASSI { 1061}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.99216E-02 ppm1      8.296 ppm2      4.212 CV     1
 ASSI { 1062}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.46078E-02 ppm1      8.308 ppm2      1.357 CV     1
 ASSI { 1063}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.000     1.200     1.200 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.48314E-02 ppm1      7.683 ppm2      1.749 CV     1
 ASSI { 1064}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      3.400     1.400     1.400 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.24745E-02 ppm1      8.063 ppm2      4.154 CV     1
 ASSI { 1065}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.19575E-02 ppm1      8.128 ppm2      4.366 CV     1
 ASSI { 1066}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
      4.000     2.000     2.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.18464E-02 ppm1      8.131 ppm2      2.177 CV     1
 ASSI { 1067}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.33307E-02 ppm1      8.225 ppm2      4.340 CV     1
 ASSI { 1068}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      2.800     2.800     3.200 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.19405E-02 ppm1      8.753 ppm2      1.081 CV     1
 ASSI { 1069}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      4.500     2.700     1.500 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.16026E-03 ppm1      7.032 ppm2      4.555 CV     1
 ASSI { 1070}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.500     2.700     1.500 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.42359E-02 ppm1      7.795 ppm2      4.532 CV     1
 ASSI { 1071}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 35   and name HG2  ))
      4.500     2.700     1.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.42359E-02 ppm1      7.795 ppm2      1.808 CV     1
 ASSI { 1072}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      5.000     3.100     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.71046E-03 ppm1      9.403 ppm2      0.576 CV     1
 ASSI { 1073}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.300     1.400     1.400 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.40601E-02 ppm1      8.545 ppm2      0.988 CV     1
 ASSI { 1074}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      6.000     4.500     0.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.93137E-04 ppm1      9.078 ppm2      4.060 CV     1
 ASSI { 1075}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.19392E-02 ppm1      8.246 ppm2      5.424 CV     1
 ASSI { 1076}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      5.500     3.800     0.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.17673E-03 ppm1      8.098 ppm2      1.783 CV     1
 ASSI { 1077}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.700     1.700     1.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.27993E-02 ppm1      8.890 ppm2      2.722 CV     1
 ASSI { 1078}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA1 ))
      2.600     0.800     0.800 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.79346E-02 ppm1      6.241 ppm2      3.766 CV     1
 ASSI { 1079}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      3.600     1.600     1.600 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.15621E-02 ppm1      9.410 ppm2      0.814 CV     1
 ASSI { 1080}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.14614E-01 ppm1      8.544 ppm2      4.459 CV     1
 ASSI { 1081}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.500     2.500     1.500 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.11020E-02 ppm1      7.905 ppm2      0.724 CV     1
 ASSI { 1082}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.000     1.100     1.100 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.31425E-02 ppm1      7.028 ppm2      4.213 CV     1
 ASSI { 1083}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
      2.800     2.800     3.200 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.77059E-02 ppm1      7.026 ppm2      1.955 CV     1
 ASSI { 1084}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      2.900     1.000     1.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.58118E-02 ppm1      7.023 ppm2      0.735 CV     1
 ASSI { 1085}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      3.600     1.600     1.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.27843E-02 ppm1      8.667 ppm2      1.780 CV     1
 ASSI { 1086}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      4.600     2.700     1.400 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.27091E-03 ppm1      8.610 ppm2      1.374 CV     1
 ASSI { 1087}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HG1  ))
      4.500     2.700     1.500 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.42359E-02 ppm1      7.795 ppm2      2.030 CV     1
 ASSI { 1088}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.500     2.700     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.43549E-02 ppm1      8.662 ppm2      4.611 CV     1
 ASSI { 1089}
   (( segid "    " and resid 15   and name HE1 ))
   (  segid "    " and resid 20   and name HE% )
      3.600     1.600     1.600 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.18438E-02 ppm1     10.123 ppm2      1.701 CV     1
 ASSI { 1090}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.500     2.500     1.500 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.29222E-03 ppm1      7.758 ppm2      3.991 CV     1
 ASSI { 1091}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      6.000     6.000     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.37346E-04 ppm1      8.223 ppm2     -0.804 CV     1
 ASSI { 1092}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 40   and name HG1 ))
      4.800     2.900     1.200 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.17412E-03 ppm1      9.965 ppm2     -0.832 CV     1
 ASSI { 1093}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      5.600     3.900     0.400 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.89085E-04 ppm1      7.942 ppm2     -0.835 CV     1
 ASSI { 1094}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      4.500     2.700     1.500 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.43549E-02 ppm1      8.662 ppm2      1.840 CV     1
 ASSI { 1095}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 70   and name HH2 ))
      4.800     2.800     1.200 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.72091E-03 ppm1      9.561 ppm2      6.656 CV     1
 ASSI { 1096}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.700     1.700     1.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.55588E-03 ppm1      9.556 ppm2      5.380 CV     1
 ASSI { 1097}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      4.500     2.700     1.500 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.43549E-02 ppm1      8.662 ppm2      1.745 CV     1
 ASSI { 1098}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.36575E-03 ppm1      8.952 ppm2      8.718 CV     1
 ASSI { 1099}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     6.000     0.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.88104E-04 ppm1      9.657 ppm2      9.390 CV     1
 ASSI { 1100}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.600     1.600     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.96274E-03 ppm1      8.899 ppm2      9.092 CV     1
 ASSI { 1101}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.900     4.400     0.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.11686E-03 ppm1      8.527 ppm2      3.037 CV     1
 ASSI { 1102}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      2.400     0.700     0.700 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.83006E-02 ppm1      7.762 ppm2      1.361 CV     1
 ASSI { 1103}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      4.000     2.000     2.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.73203E-03 ppm1      7.762 ppm2      0.980 CV     1
 ASSI { 1104}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      4.100     2.100     1.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.61954E-03 ppm1      8.370 ppm2      3.870 CV     1
 ASSI { 1105}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 98   and name HB2 )
      4.500     2.700     1.500 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.31261E-04 ppm1      8.283 ppm2      1.447 CV     1
 ASSI { 1106}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      3.100     1.200     1.200 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.58758E-02 ppm1      8.375 ppm2      1.134 CV     1
 ASSI { 1107}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      6.000     4.500     0.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.31261E-04 ppm1      8.283 ppm2      1.137 CV     1
 ASSI { 1108}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.700     1.300 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.94314E-03 ppm1      7.381 ppm2      8.855 CV     1
 OR { 1108}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 1109}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      5.200     3.300     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.91242E-03 ppm1      7.348 ppm2      4.498 CV     1
 ASSI { 1110}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.300     2.400     1.700 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.64738E-03 ppm1      7.344 ppm2      4.283 CV     1
 ASSI { 1111}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      5.400     3.700     0.600 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.15105E-03 ppm1      8.745 ppm2      4.750 CV     1
 ASSI { 1112}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.900     1.900     1.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      8.744 ppm2      0.786 CV     1
 ASSI { 1113}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      5.100     3.200     0.900 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.20418E-03 ppm1      8.810 ppm2      4.749 CV     1
 ASSI { 1114}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.73464E-03 ppm1      8.805 ppm2      4.504 CV     1
 ASSI { 1115}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.100     2.100     1.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.10660E-02 ppm1      9.088 ppm2      0.709 CV     1
 ASSI { 1116}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.300     1.300 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.11869E-02 ppm1      7.714 ppm2      9.489 CV     1
 ASSI { 1117}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.000     1.100     1.100 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.25693E-02 ppm1      7.721 ppm2      1.524 CV     1
 ASSI { 1118}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.11405E-01 ppm1      9.471 ppm2      1.907 CV     1
 ASSI { 1119}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      4.200     2.200     1.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.84444E-03 ppm1      8.405 ppm2      1.521 CV     1
 ASSI { 1120}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.600     1.600     1.600 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.10712E-02 ppm1      8.509 ppm2      3.610 CV     1
 ASSI { 1121}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HD1%)
      3.900     1.900     1.900 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.10176E-02 ppm1      8.457 ppm2      0.606 CV     1
 ASSI { 1122}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2  ))
      4.500     2.700     1.500 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.43549E-02 ppm1      8.662 ppm2      1.773 CV     1
 ASSI { 1123}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      4.400     2.400     1.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.81895E-03 ppm1      8.190 ppm2      5.035 CV     1
 ASSI { 1124}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.800     1.800     1.800 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.21536E-02 ppm1      8.187 ppm2      1.863 CV     1
 ASSI { 1125}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.700     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.24203E-03 ppm1      8.833 ppm2      8.378 CV     1
 ASSI { 1126}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 98   and name HD2%)
      5.100     3.200     0.900 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.22993E-03 ppm1      8.832 ppm2      0.617 CV     1
 ASSI { 1127}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      4.700     2.700     1.300 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.17830E-03 ppm1      8.402 ppm2      4.022 CV     1
 ASSI { 1128}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 98   and name HD2%)
      6.000     5.300     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.12000E-03 ppm1      9.436 ppm2     -0.204 CV     1
 ASSI { 1129}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 70   and name HA  )
      4.500     2.700     1.500 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.18954E-03 ppm1      9.454 ppm2      6.208 CV     1
 ASSI { 1130}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.500     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.41817E-02 ppm1      8.533 ppm2      1.383 CV     1
 ASSI { 1131}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.600     3.900     0.400 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.17967E-03 ppm1      8.862 ppm2      9.387 CV     1
 ASSI { 1132}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.300     1.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.95294E-03 ppm1      8.411 ppm2      8.946 CV     1
 ASSI { 1133}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 78   and name HA2 )
      4.500     2.700     1.500 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.18954E-03 ppm1      9.454 ppm2      3.803 CV     1
 ASSI { 1134}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HG1 ))
      2.700     0.900     1.300 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.34392E-02 ppm1      9.091 ppm2      1.301 CV     1
 ASSI { 1135}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.500     2.500     3.500 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.39248E-02 ppm1      7.592 ppm2      1.801 CV     1
 ASSI { 1136}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.500     1.500 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.43438E-03 ppm1      7.756 ppm2      9.444 CV     1
 ASSI { 1137}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.600     1.600     1.600 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.18085E-02 ppm1      8.191 ppm2      3.938 CV     1
 ASSI { 1138}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      4.200     2.200     1.800 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.12601E-02 ppm1      8.183 ppm2      1.378 CV     1
 ASSI { 1139}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 61   and name HD2 ))
      5.000     3.200     1.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.87647E-03 ppm1      7.897 ppm2      3.556 CV     1
 ASSI { 1140}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 97   and name HA  )
      4.500     2.700     1.500 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.18954E-03 ppm1      9.454 ppm2      3.793 CV     1
 ASSI { 1141}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 80   and name HG12)
      4.500     2.700     1.500 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.11863E-03 ppm1      8.408 ppm2      1.369 CV     1
 ASSI { 1142}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      3.700     1.700     1.700 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.35712E-03 ppm1      8.227 ppm2      0.707 CV     1
 ASSI { 1143}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      5.100     3.300     0.900 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.27039E-03 ppm1      8.404 ppm2      0.996 CV     1
 ASSI { 1144}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      3.800     1.800     1.800 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      7.706 ppm2      0.781 CV     1
 ASSI { 1145}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.400     2.400     1.600 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.14614E-02 ppm1      7.715 ppm2      0.721 CV     1
 ASSI { 1146}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.200     3.200     2.800 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.90131E-03 ppm1      9.075 ppm2      2.723 CV     1
 ASSI { 1147}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.100     3.100     2.900 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.99934E-03 ppm1      9.072 ppm2      3.253 CV     1
 ASSI { 1148}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.900     1.900     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.19085E-02 ppm1      8.247 ppm2      8.898 CV     1
 ASSI { 1150}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HD2%)
      3.700     1.700     1.700 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.23196E-02 ppm1      8.157 ppm2      0.620 CV     1
 ASSI { 1151}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      4.800     2.900     1.200 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.84706E-03 ppm1      9.350 ppm2      0.781 CV     1
 ASSI { 1152}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 98   and name HB2 )
      4.500     2.700     1.500 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.70523E-03 ppm1      8.389 ppm2      4.295 CV     1
 ASSI { 1153}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      4.700     2.800     1.300 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.53418E-03 ppm1      8.598 ppm2      2.817 CV     1
 ASSI { 1154}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.900     3.000     1.100 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.15085E-03 ppm1      7.539 ppm2      3.785 CV     1
 ASSI { 1155}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      4.000     2.000     2.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.12039E-02 ppm1      8.155 ppm2      4.179 CV     1
 ASSI { 1156}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HG1 ))
      3.600     1.600     1.600 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.18373E-02 ppm1      8.157 ppm2      1.362 CV     1
 ASSI { 1157}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.700     1.700     1.700 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.96078E-03 ppm1      7.746 ppm2      4.402 CV     1
 ASSI { 1158}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.300     1.400     1.400 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.15118E-02 ppm1      7.744 ppm2      4.110 CV     1
 ASSI { 1159}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      2.400     0.700     0.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.86078E-02 ppm1      7.747 ppm2      1.744 CV     1
 ASSI { 1160}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.800     1.800     1.800 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.23621E-02 ppm1      7.747 ppm2      0.760 CV     1
 ASSI { 1161}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.81569E-02 ppm1      8.206 ppm2      4.367 CV     1
 ASSI { 1162}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HZ3 ))
      4.300     2.300     1.700 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.10281E-02 ppm1     10.187 ppm2      6.731 CV     1
 ASSI { 1163}
   (( segid "    " and resid 15   and name HE1 ))
   (( segid "    " and resid 15   and name HZ3 ))
      3.900     1.900     1.900 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1     10.125 ppm2      6.532 CV     1
 ASSI { 1164}
   (( segid "    " and resid 15   and name HE1 ))
   (( segid "    " and resid 15   and name HH2 ))
      4.200     2.200     1.800 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.17654E-02 ppm1     10.125 ppm2      6.938 CV     1
 ASSI { 1165}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 93   and name HH2 ))
      5.100     3.200     0.900 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.46843E-03 ppm1      9.458 ppm2      7.090 CV     1
 ASSI { 1166}
   (( segid "    " and resid 70   and name HE1 ))
   (( segid "    " and resid 70   and name HZ3 ))
      4.400     2.400     1.600 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.74575E-03 ppm1      9.560 ppm2      6.228 CV     1
 ASSI { 1167}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HH2 ))
      4.200     2.200     1.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.18183E-02 ppm1      9.956 ppm2      6.816 CV     1
 ASSI { 1168}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HZ3 ))
      4.300     2.300     1.700 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.91046E-03 ppm1      9.957 ppm2      6.438 CV     1
 ASSI { 1169}
   (( segid "    " and resid 1    and name HE1 ))
   (( segid "    " and resid 1    and name HH2 ))
      4.800     2.900     1.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.93333E-03 ppm1     10.046 ppm2      6.981 CV     1
 ASSI { 1170}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.500     2.700     1.500 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.12595E-02 ppm1      8.832 ppm2      1.448 CV     1
 ASSI { 1171}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.400     1.500     1.500 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.16444E-02 ppm1      8.187 ppm2      3.753 CV     1
 ASSI { 1172}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HD2%)
      4.200     2.300     1.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.83595E-03 ppm1      9.415 ppm2      0.598 CV     1
 ASSI { 1173}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      5.100     3.300     0.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.30797E-03 ppm1      8.452 ppm2      1.869 CV     1
 OR { 1173}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 101  and name HG1 ))
 ASSI { 1174}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      5.000     3.100     1.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.28451E-03 ppm1      8.457 ppm2      2.055 CV     1
 ASSI { 1175}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.900     1.000     1.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.24673E-02 ppm1      7.543 ppm2      2.406 CV     1
 ASSI { 1176}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.100     1.200     1.200 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.30098E-02 ppm1      7.934 ppm2      0.683 CV     1
 ASSI { 1177}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.800     2.800     1.200 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.75490E-03 ppm1      8.243 ppm2      0.983 CV     1
 ASSI { 1178}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.100     2.100     1.900 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.82484E-03 ppm1      8.240 ppm2      0.710 CV     1
 ASSI { 1179}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.73464E-04 ppm1      8.663 ppm2      5.059 CV     1
 ASSI { 1180}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB2 ))
      4.100     2.100     1.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.62091E-03 ppm1      8.157 ppm2      2.051 CV     1
 ASSI { 1181}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      4.700     2.700     1.300 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.33745E-03 ppm1      7.871 ppm2      3.695 CV     1
 ASSI { 1182}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG% ))
      4.500     2.700     1.500 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.81895E-03 ppm1      8.190 ppm2      1.459 CV     1
 ASSI { 1183}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      4.500     2.700     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.81895E-03 ppm1      8.190 ppm2      1.181 CV     1
 ASSI { 1184}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 78   and name HA1 ))
      4.500     2.700     1.500 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.29974E-02 ppm1      8.327 ppm2      3.739 CV     1
 ASSI { 1185}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 78   and name HA2 ))
      4.500     2.700     1.500 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.29974E-02 ppm1      8.327 ppm2      3.812 CV     1
 ASSI { 1186}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HD1 ))
      6.000     6.000     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.26477E-04 ppm1      8.301 ppm2      3.094 CV     1
 ASSI { 1187}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      6.000     5.100     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.13288E-03 ppm1      8.404 ppm2      0.437 CV     1
 ASSI { 1188}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      4.500     2.700     1.500 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.29974E-02 ppm1      8.327 ppm2      3.786 CV     1
 ASSI { 1189}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.500     2.700     1.500 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.29974E-02 ppm1      8.327 ppm2      2.777 CV     1
 ASSI { 1190}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.46137E-02 ppm1      8.300 ppm2      1.482 CV     1
 ASSI { 1191}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.500     4.500     1.500 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.54791E-03 ppm1      8.351 ppm2      1.491 CV     1
 ASSI { 1192}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.200     1.200 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.28425E-02 ppm1      7.761 ppm2      4.646 CV     1
 ASSI { 1193}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.500     2.700     1.500 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.29974E-02 ppm1      8.327 ppm2      1.459 CV     1
 ASSI { 1194}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     5.300     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.83137E-04 ppm1      8.896 ppm2      9.637 CV     1
 ASSI { 1196}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      6.000     6.000     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.31529E-04 ppm1      8.891 ppm2      1.026 CV     1
 ASSI { 1197}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.800     0.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.57444E-04 ppm1      8.943 ppm2      5.339 CV     1
 ASSI { 1198}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.500     3.700     0.500 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.31268E-03 ppm1      8.530 ppm2      9.412 CV     1
 ASSI { 1199}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      4.500     2.700     1.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.45209E-03 ppm1      8.371 ppm2      0.796 CV     1
 ASSI { 1200}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      5.000     3.100     1.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.45209E-03 ppm1      8.371 ppm2      0.766 CV     1
 ASSI { 1201}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      5.100     3.300     0.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.34163E-03 ppm1      8.568 ppm2      8.304 CV     1
 ASSI { 1202}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      6.000     6.000     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.60686E-04 ppm1      8.951 ppm2      1.178 CV     1
 ASSI { 1203}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.600     2.600     1.400 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.68889E-03 ppm1      7.752 ppm2      0.726 CV     1
 ASSI { 1204}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 12   and name HG  )
      4.500     2.700     1.500 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.45209E-03 ppm1      8.371 ppm2      1.111 CV     1
 ASSI { 1205}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HG2 ))
      2.700     0.900     0.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.35608E-02 ppm1      9.087 ppm2      1.799 CV     1
 ASSI { 1206}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 12   and name HN  )
      4.500     2.700     1.500 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.45209E-03 ppm1      8.371 ppm2      9.075 CV     1
 ASSI { 1207}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 14   and name HN  )
      4.500     2.700     1.500 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.45209E-03 ppm1      8.371 ppm2      8.845 CV     1
 ASSI { 1208}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 67   and name HE% )
      4.200     2.200     1.800 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.19222E-02 ppm1      8.773 ppm2      6.777 CV     1
 ASSI { 1209}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.800     0.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.92287E-04 ppm1      8.658 ppm2      9.076 CV     1
 ASSI { 1210}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      3.500     1.500     1.500 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.40967E-02 ppm1      7.986 ppm2      2.308 CV     1
 ASSI { 1211}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      6.000     4.500     0.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.16026E-03 ppm1      7.032 ppm2      8.639 CV     1
 ASSI { 1212}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.29562E-03 ppm1      8.662 ppm2      9.073 CV     1
 ASSI { 1213}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.600     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.87059E-04 ppm1      8.948 ppm2      8.429 CV     1
 ASSI { 1214}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      5.100     3.300     0.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.34778E-03 ppm1      8.858 ppm2      5.441 CV     1
 ASSI { 1215}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      3.500     1.500     1.500 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.18523E-02 ppm1      7.594 ppm2      1.192 CV     1
 ASSI { 1216}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.500     2.700     1.500 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.18039E-03 ppm1      8.512 ppm2      3.801 CV     1
 ASSI { 1217}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.500     2.700     1.500 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.18039E-03 ppm1      8.512 ppm2      1.445 CV     1
 ASSI { 1218}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      3.100     3.100     2.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.39170E-02 ppm1      8.213 ppm2      1.895 CV     1
 ASSI { 1219}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      4.500     2.600     1.500 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.13706E-02 ppm1      8.790 ppm2      1.133 CV     1
 ASSI { 1220}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      2.400     2.400     3.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.53471E-02 ppm1      8.059 ppm2      3.736 CV     1
 ASSI { 1221}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     2.700     3.300 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.22490E-02 ppm1      8.229 ppm2      4.196 CV     1
 ASSI { 1222}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     2.900     3.100 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.15373E-02 ppm1      8.892 ppm2      4.216 CV     1
 ASSI { 1223}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.500     2.700     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.61196E-03 ppm1      7.455 ppm2      1.445 CV     1
 ASSI { 1224}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      2.800     2.800     3.200 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.17320E-02 ppm1      7.794 ppm2      0.812 CV     1
 ASSI { 1225}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 34   and name HD1%)
      5.800     4.200     0.200 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.10804E-03 ppm1      9.443 ppm2      0.342 CV     1
 ASSI { 1226}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      2.800     2.800     3.200 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.19869E-02 ppm1      8.431 ppm2      2.037 CV     1
 ASSI { 1227}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
      3.400     1.500     1.500 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.44444E-02 ppm1      7.904 ppm2      1.324 CV     1
 ASSI { 1228}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.300     1.700 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.13993E-03 ppm1      9.492 ppm2      8.197 CV     1
 ASSI { 1229}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 76   and name HB1 ))
      4.500     2.500     1.500 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.84640E-03 ppm1      9.492 ppm2      3.039 CV     1
 ASSI { 1230}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 76   and name HB2 ))
      5.100     3.200     0.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.45026E-03 ppm1      9.487 ppm2      2.742 CV     1
 ASSI { 1231}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 74   and name HB1 ))
      3.700     1.700     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.37418E-03 ppm1      9.488 ppm2      2.259 CV     1
 ASSI { 1232}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 74   and name HB2 ))
      5.200     3.400     0.800 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.27902E-03 ppm1      9.487 ppm2      1.937 CV     1
 ASSI { 1233}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HD22))
      6.000     5.800     0.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.10307E-03 ppm1      7.982 ppm2      9.457 CV     1
 ASSI { 1234}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 63   and name HB1 ))
      4.700     2.800     1.300 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.69281E-03 ppm1      6.475 ppm2      2.006 CV     1
 ASSI { 1235}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 63   and name HB2 ))
      4.600     2.700     1.400 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.76340E-03 ppm1      6.479 ppm2      1.248 CV     1
 ASSI { 1236}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 63   and name HB1 ))
      4.400     2.400     1.600 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.32065E-03 ppm1      6.712 ppm2      1.973 CV     1
 ASSI { 1237}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 63   and name HB2 ))
      3.800     1.800     1.800 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.84510E-03 ppm1      6.716 ppm2      1.234 CV     1
 ASSI { 1238}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 63   and name HG2 ))
      5.300     3.500     0.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.32268E-03 ppm1      6.480 ppm2      1.456 CV     1
 ASSI { 1239}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 63   and name HG2 ))
      4.800     2.900     1.200 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.16366E-03 ppm1      6.708 ppm2      1.480 CV     1
 ASSI { 1240}
   (( segid "    " and resid 63   and name HE21))
   (  segid "    " and resid 85   and name HD1%)
      4.000     2.000     2.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.21471E-03 ppm1      6.475 ppm2      0.745 CV     1
 ASSI { 1241}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 85   and name HD1%)
      4.400     2.400     1.600 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.46301E-03 ppm1      6.705 ppm2      0.711 CV     1
 ASSI { 1242}
   (( segid "    " and resid 100  and name HE22))
   (( segid "    " and resid 96   and name HA  ))
      5.000     3.100     1.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.60542E-04 ppm1      7.652 ppm2      4.117 CV     1
 ASSI { 1243}
   (( segid "    " and resid 100  and name HE22))
   (( segid "    " and resid 97   and name HA  ))
      4.200     2.200     1.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.85229E-03 ppm1      7.649 ppm2      3.785 CV     1
 ASSI { 1244}
   (( segid "    " and resid 100  and name HE22))
   (( segid "    " and resid 100  and name HB1 ))
      4.000     2.000     2.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.20281E-02 ppm1      7.654 ppm2      2.638 CV     1
 ASSI { 1245}
   (( segid "    " and resid 100  and name HE22))
   (( segid "    " and resid 100  and name HB2 ))
      4.500     2.500     1.500 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.72026E-03 ppm1      7.651 ppm2      2.404 CV     1
 ASSI { 1246}
   (( segid "    " and resid 100  and name HE22))
   (  segid "    " and resid 80   and name HG2%)
      4.200     2.200     1.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.40222E-03 ppm1      7.652 ppm2      0.871 CV     1
 ASSI { 1247}
   (( segid "    " and resid 95   and name HE  ))
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.700     1.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.11850E-02 ppm1      7.239 ppm2      4.261 CV     1
 ASSI { 1248}
   (( segid "    " and resid 95   and name HE  ))
   (( segid "    " and resid 95   and name HA  ))
      4.200     2.200     1.800 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.55908E-03 ppm1      7.236 ppm2      3.692 CV     1
 ASSI { 1249}
   (( segid "    " and resid 95   and name HE  ))
   (( segid "    " and resid 95   and name HD1 ))
      2.800     1.000     1.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.51196E-02 ppm1      7.240 ppm2      3.201 CV     1
 ASSI { 1250}
   (( segid "    " and resid 95   and name HE  ))
   (( segid "    " and resid 95   and name HB1 ))
      2.500     0.800     0.800 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.43640E-02 ppm1      7.240 ppm2      1.876 CV     1
 ASSI { 1251}
   (( segid "    " and resid 95   and name HE  ))
   (( segid "    " and resid 95   and name HG1 ))
      4.100     2.100     1.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.11346E-02 ppm1      7.239 ppm2      1.455 CV     1
 ASSI { 1252}
   (( segid "    " and resid 95   and name HE  ))
   (( segid "    " and resid 95   and name HN  ))
      5.200     3.400     0.800 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.28987E-03 ppm1      7.251 ppm2      8.856 CV     1
 ASSI { 1253}
   (( segid "    " and resid 71   and name HE  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.300     1.300     1.300 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.16346E-02 ppm1      7.139 ppm2      3.095 CV     1
 ASSI { 1254}
   (( segid "    " and resid 71   and name HE  ))
   (( segid "    " and resid 70   and name HB2 ))
      4.900     3.000     1.100 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.34791E-03 ppm1      7.138 ppm2      2.567 CV     1
 ASSI { 1255}
   (( segid "    " and resid 71   and name HE  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.200     2.200     1.800 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.62301E-03 ppm1      7.138 ppm2      1.722 CV     1
 ASSI { 1256}
   (( segid "    " and resid 71   and name HE  ))
   (( segid "    " and resid 71   and name HG1 ))
      3.500     1.500     1.500 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.10333E-02 ppm1      7.131 ppm2      1.496 CV     1
 ASSI { 1257}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA ))
      4.500     2.700     1.500 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.61196E-03 ppm1      7.455 ppm2      4.383 CV     1
 ASSI { 1258}
   (( segid "    " and resid 71   and name HE  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.200     3.400     0.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.45438E-04 ppm1      7.133 ppm2      2.302 CV     1
 ASSI { 1259}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     3.700     2.300 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.36425E-03 ppm1      6.729 ppm2      4.244 CV     1
 ASSI { 1260}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 53   and name HD1 ))
      2.600     0.900     0.900 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.73006E-02 ppm1      6.725 ppm2      2.966 CV     1
 ASSI { 1261}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.800     3.800     2.200 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.28935E-03 ppm1      6.724 ppm2      2.675 CV     1
 ASSI { 1262}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.700     1.700     1.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.21536E-02 ppm1      6.728 ppm2      1.758 CV     1
 ASSI { 1263}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.700     1.700     1.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.99869E-03 ppm1      6.724 ppm2      1.476 CV     1
 ASSI { 1264}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA ))
      4.500     2.700     1.500 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.55150E-03 ppm1      8.346 ppm2      4.204 CV     1
 ASSI { 1265}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      3.300     3.300     2.700 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.30980E-02 ppm1      7.929 ppm2      0.708 CV     1
 ASSI { 1266}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      2.400     2.400     3.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.49830E-02 ppm1      8.145 ppm2      0.940 CV     1
 ASSI { 1267}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.100     2.100     1.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.77908E-03 ppm1      8.255 ppm2      3.726 CV     1
 ASSI { 1268}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      6.000     4.800     0.000 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.91568E-04 ppm1      8.895 ppm2      5.304 CV     1
 ASSI { 1269}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.20745E-02 ppm1      8.887 ppm2      8.219 CV     1
 ASSI { 1270}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.500     3.800     0.500 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.12405E-03 ppm1      8.150 ppm2      4.053 CV     1
 ASSI { 1271}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      5.800     4.300     0.200 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.89477E-04 ppm1      8.090 ppm2      3.585 CV     1
 ASSI { 1272}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.36732E-03 ppm1      8.595 ppm2      8.789 CV     1
 ASSI { 1273}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
      3.400     1.400     1.400 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.35542E-02 ppm1      7.752 ppm2      1.766 CV     1
 ASSI { 1274}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HG1 ))
      3.300     3.300     2.700 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.42569E-02 ppm1      7.761 ppm2      1.345 CV     1
 ASSI { 1275}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.400     1.400     1.400 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.27863E-02 ppm1      7.760 ppm2      1.827 CV     1
 ASSI { 1276}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.300     1.400     1.400 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.28771E-02 ppm1      8.430 ppm2      0.430 CV     1
 ASSI { 1277}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      5.300     3.500     0.700 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.14359E-03 ppm1      8.348 ppm2      0.477 CV     1
 ASSI { 1278}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.500     2.700     1.500 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.43993E-02 ppm1      8.342 ppm2      4.761 CV     1
 ASSI { 1279}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.700     1.700     1.700 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.18209E-02 ppm1      8.128 ppm2      2.216 CV     1
 ASSI { 1280}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.33307E-02 ppm1      8.224 ppm2      4.316 CV     1
 ASSI { 1281}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD21))
      5.100     3.300     0.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.18712E-03 ppm1      8.404 ppm2      6.746 CV     1
 ASSI { 1282}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD22))
      5.100     3.200     0.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.51667E-03 ppm1      8.403 ppm2      7.432 CV     1
 ASSI { 1283}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 61   and name HD1 ))
      3.600     1.600     1.600 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.43699E-03 ppm1      7.466 ppm2      3.709 CV     1
 ASSI { 1284}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 60   and name HB1 ))
      3.300     1.400     1.400 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.55719E-02 ppm1      7.461 ppm2      2.651 CV     1
 ASSI { 1285}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.500     2.700     1.500 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.43993E-02 ppm1      8.342 ppm2      2.694 CV     1
 ASSI { 1286}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 61   and name HG1 ))
      3.200     3.200     2.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.76601E-03 ppm1      7.466 ppm2      1.926 CV     1
 ASSI { 1288}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.50784E-02 ppm1      7.751 ppm2      8.160 CV     1
 ASSI { 1290}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      2.500     0.800     0.800 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.61183E-02 ppm1      8.187 ppm2      2.455 CV     1
 ASSI { 1291}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 104  and name HE% )
      3.500     1.600     1.600 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.19078E-02 ppm1      8.187 ppm2      1.050 CV     1
 ASSI { 1292}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA2 ))
      4.300     2.300     1.700 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.37013E-03 ppm1      6.237 ppm2      3.920 CV     1
 ASSI { 1293}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      4.500     2.700     1.500 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.68758E-03 ppm1      8.280 ppm2      4.835 CV     1
 ASSI { 1294}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.000     3.100     1.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.38157E-03 ppm1      9.042 ppm2      8.220 CV     1
 ASSI { 1295}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.000     2.000     2.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.10739E-02 ppm1      9.051 ppm2      4.969 CV     1
 ASSI { 1296}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      4.000     2.000     2.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.68758E-03 ppm1      9.033 ppm2      1.097 CV     1
 ASSI { 1297}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      5.300     3.400     0.700 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.23052E-03 ppm1      8.755 ppm2      5.346 CV     1
 ASSI { 1298}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      5.400     3.600     0.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.13902E-03 ppm1      8.746 ppm2      1.129 CV     1
 ASSI { 1299}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      2.600     2.600     3.400 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.29098E-02 ppm1      8.745 ppm2      0.767 CV     1
 ASSI { 1300}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     2.000     2.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.94118E-03 ppm1      8.860 ppm2      4.681 CV     1
 ASSI { 1301}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.900     3.000     1.100 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.58876E-03 ppm1      8.859 ppm2      5.425 CV     1
 ASSI { 1302}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.000     2.000     2.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.53745E-03 ppm1      8.889 ppm2      5.430 CV     1
 ASSI { 1303}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      5.900     4.300     0.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.95359E-04 ppm1      8.904 ppm2      8.244 CV     1
 ASSI { 1304}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.700     1.400 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.37993E-03 ppm1      8.895 ppm2      5.283 CV     1
 ASSI { 1305}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      4.000     2.000     2.000 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.12797E-02 ppm1      9.661 ppm2      7.522 CV     1
 ASSI { 1306}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.600     2.700     1.400 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.67451E-03 ppm1      9.609 ppm2      4.057 CV     1
 ASSI { 1307}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.500     2.500     1.500 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.10386E-02 ppm1      9.611 ppm2      0.876 CV     1
 ASSI { 1308}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      6.000     6.000     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.30189E-04 ppm1      9.617 ppm2      0.128 CV     1
 ASSI { 1309}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.800     2.900     1.200 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.48359E-03 ppm1      8.760 ppm2      5.390 CV     1
 ASSI { 1310}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.800     2.800     1.200 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.92353E-03 ppm1      8.760 ppm2      3.167 CV     1
 ASSI { 1311}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.27654E-03 ppm1      8.761 ppm2      4.153 CV     1
 ASSI { 1312}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      5.900     4.400     0.100 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.14771E-03 ppm1      8.525 ppm2      9.640 CV     1
 ASSI { 1313}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      4.300     2.300     1.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.39183E-03 ppm1      9.423 ppm2      0.755 CV     1
 ASSI { 1314}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.95490E-03 ppm1      9.422 ppm2      4.678 CV     1
 ASSI { 1315}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.500     2.500     1.500 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.69150E-03 ppm1      9.419 ppm2      1.555 CV     1
 ASSI { 1316}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.13765E-02 ppm1      9.419 ppm2      8.861 CV     1
 ASSI { 1317}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      5.300     3.500     0.700 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.24091E-03 ppm1      8.375 ppm2      5.177 CV     1
 ASSI { 1318}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      3.800     1.800     1.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.30105E-03 ppm1      8.381 ppm2      0.776 CV     1
 ASSI { 1319}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.68758E-03 ppm1      8.280 ppm2      5.028 CV     1
 ASSI { 1320}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     5.100     0.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.89477E-04 ppm1      8.560 ppm2      5.134 CV     1
 ASSI { 1321}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      4.200     2.200     1.800 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.66405E-03 ppm1      8.548 ppm2      1.482 CV     1
 ASSI { 1322}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.000     3.000     3.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.49229E-02 ppm1      8.550 ppm2      0.825 CV     1
 ASSI { 1323}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      3.800     1.800     1.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.61301E-03 ppm1      8.950 ppm2      2.999 CV     1
 ASSI { 1324}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      5.500     3.800     0.500 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.27562E-03 ppm1      7.380 ppm2      3.771 CV     1
 ASSI { 1325}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.500     2.700     1.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.10608E-02 ppm1      8.187 ppm2      4.401 CV     1
 ASSI { 1326}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      6.000     5.700     0.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.58490E-04 ppm1      8.850 ppm2      1.644 CV     1
 ASSI { 1327}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 92   and name HD1%)
      5.800     4.200     0.200 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.10091E-03 ppm1      8.858 ppm2      0.778 CV     1
 ASSI { 1328}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 92   and name HD2%)
      5.800     4.200     0.200 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.82026E-04 ppm1      8.858 ppm2      0.786 CV     1
 ASSI { 1329}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 92   and name HD2%)
      4.200     2.200     1.800 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.45882E-03 ppm1      7.343 ppm2      0.774 CV     1
 ASSI { 1330}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 92   and name HD1%)
      4.000     2.000     2.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.69738E-03 ppm1      7.347 ppm2      0.780 CV     1
 ASSI { 1331}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      6.000     5.400     0.000 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.14706E-03 ppm1      8.747 ppm2      1.884 CV     1
 ASSI { 1332}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.700     2.700     1.300 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.35157E-03 ppm1      8.749 ppm2      1.109 CV     1
 ASSI { 1333}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.900     1.900     1.900 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.14634E-02 ppm1      8.752 ppm2      0.738 CV     1
 OR { 1333}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 92   and name HD1%)
 ASSI { 1334}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 31   and name HG1%)
      4.000     2.000     2.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.13627E-02 ppm1      8.751 ppm2      0.746 CV     1
 ASSI { 1335}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     3.000     3.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.33575E-02 ppm1      8.744 ppm2      4.523 CV     1
 ASSI { 1336}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      4.300     2.300     1.700 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.35157E-03 ppm1      8.749 ppm2      1.109 CV     1
 ASSI { 1337}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      5.200     3.300     0.800 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.22490E-03 ppm1      8.801 ppm2      8.521 CV     1
 ASSI { 1338}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.300     2.300     1.700 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.10274E-02 ppm1      9.088 ppm2      4.584 CV     1
 ASSI { 1339}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG2%))
      4.500     2.700     1.500 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.10608E-02 ppm1      8.187 ppm2      1.077 CV     1
 ASSI { 1340}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.700     0.900     0.900 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.66470E-02 ppm1      9.088 ppm2      4.494 CV     1
 ASSI { 1341}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.800     1.800     1.800 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.60830E-03 ppm1      7.709 ppm2      7.979 CV     1
 ASSI { 1342}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.20163E-02 ppm1      7.711 ppm2      4.721 CV     1
 ASSI { 1343}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      5.000     3.100     1.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.16451E-03 ppm1      9.486 ppm2      7.755 CV     1
 ASSI { 1344}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 89   and name HD1 ))
      4.100     2.100     1.900 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.70000E-03 ppm1      7.709 ppm2      3.764 CV     1
 ASSI { 1345}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
      4.900     3.000     1.100 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.48255E-03 ppm1      7.713 ppm2      1.913 CV     1
 ASSI { 1346}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      4.500     2.700     1.500 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.61196E-03 ppm1      7.455 ppm2      1.756 CV     1
 ASSI { 1347}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.600     1.600     1.600 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.70327E-03 ppm1      8.195 ppm2      1.719 CV     1
 ASSI { 1348}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      3.900     1.900     1.900 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.10608E-02 ppm1      8.187 ppm2      1.395 CV     1
 ASSI { 1349}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      4.500     2.700     1.500 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.12026E-02 ppm1      8.158 ppm2      4.395 CV     1
 ASSI { 1350}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.500     1.700     1.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.43993E-02 ppm1      8.342 ppm2      4.410 CV     1
 ASSI { 1351}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.25327E-02 ppm1      8.343 ppm2      4.666 CV     1
 ASSI { 1352}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.600     1.600     1.600 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.30595E-02 ppm1      8.345 ppm2      2.646 CV     1
 ASSI { 1353}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      2.900     2.900     3.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.62327E-02 ppm1      8.295 ppm2      4.201 CV     1
 ASSI { 1354}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.99216E-02 ppm1      8.298 ppm2      4.223 CV     1
 ASSI { 1355}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.100     1.100 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.53444E-02 ppm1      8.399 ppm2      4.181 CV     1
 ASSI { 1356}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      4.400     2.400     1.600 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.13085E-02 ppm1      8.327 ppm2      3.694 CV     1
 ASSI { 1357}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.700     1.700     1.700 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.55150E-03 ppm1      8.346 ppm2      1.732 CV     1
 ASSI { 1358}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.400     2.400     3.600 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.75882E-02 ppm1      8.131 ppm2      4.207 CV     1
 ASSI { 1359}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.38725E-02 ppm1      7.770 ppm2      4.424 CV     1
 ASSI { 1360}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      4.300     2.300     1.700 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.67255E-03 ppm1      7.781 ppm2      4.120 CV     1
 ASSI { 1361}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.400     3.400     2.600 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.58987E-03 ppm1      7.942 ppm2      3.932 CV     1
 ASSI { 1362}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 83   and name HD% )
      4.200     2.200     1.800 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.67974E-03 ppm1      7.945 ppm2      6.662 CV     1
 ASSI { 1363}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 83   and name HE% )
      4.400     2.400     1.600 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.59085E-03 ppm1      7.943 ppm2      7.191 CV     1
 ASSI { 1364}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB% ))
      4.500     2.700     1.500 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.12026E-02 ppm1      8.158 ppm2      1.771 CV     1
 ASSI { 1365}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 84   and name HB  ))
      4.400     2.400     1.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.26281E-03 ppm1      7.947 ppm2      0.996 CV     1
 ASSI { 1366}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      4.000     2.000     2.000 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.60176E-03 ppm1      7.946 ppm2      4.815 CV     1
 ASSI { 1367}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      4.500     2.500     1.500 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.55144E-03 ppm1      7.937 ppm2      0.761 CV     1
 ASSI { 1368}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      4.300     2.300     1.700 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.13725E-03 ppm1      7.956 ppm2      1.018 CV     1
 ASSI { 1369}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      3.600     1.600     1.600 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.16928E-02 ppm1      9.399 ppm2      0.886 CV     1
 ASSI { 1370}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      4.500     2.700     1.500 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.12026E-02 ppm1      8.158 ppm2      4.119 CV     1
 ASSI { 1371}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 15   and name HD1 ))
      4.000     2.000     2.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.40778E-03 ppm1      9.074 ppm2      6.755 CV     1
 ASSI { 1372}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.000     2.000     2.000 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.91830E-03 ppm1      9.072 ppm2      5.354 CV     1
 ASSI { 1373}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     6.000     0.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.29928E-04 ppm1      8.242 ppm2      4.619 CV     1
 ASSI { 1374}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.72745E-02 ppm1      8.096 ppm2      4.152 CV     1
 ASSI { 1375}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      4.500     2.700     1.500 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.12026E-02 ppm1      8.158 ppm2      1.752 CV     1
 ASSI { 1376}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 97   and name HD1%)
      3.200     1.300     1.300 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.27261E-02 ppm1      8.159 ppm2      0.546 CV     1
 ASSI { 1377}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      2.800     0.900     0.900 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.52673E-02 ppm1      8.150 ppm2      0.860 CV     1
 ASSI { 1378}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.700     1.700     1.700 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.15954E-02 ppm1      8.545 ppm2      4.050 CV     1
 ASSI { 1379}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.500     2.700     1.500 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.11497E-03 ppm1      7.752 ppm2      4.169 CV     1
 ASSI { 1380}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 63   and name HG1 ))
      3.100     3.100     2.900 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.36425E-02 ppm1      8.160 ppm2      1.359 CV     1
 ASSI { 1381}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.82680E-03 ppm1      7.931 ppm2      4.486 CV     1
 ASSI { 1382}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.200     2.200     1.800 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.55817E-03 ppm1      7.931 ppm2      3.734 CV     1
 ASSI { 1383}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
      4.600     2.600     1.400 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.15268E-03 ppm1      7.927 ppm2      1.796 CV     1
 ASSI { 1384}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.21680E-02 ppm1      7.904 ppm2      4.528 CV     1
 ASSI { 1385}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.500     2.500     1.500 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.72680E-03 ppm1      7.796 ppm2      4.518 CV     1
 ASSI { 1386}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.000     2.000     2.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.74444E-03 ppm1      7.795 ppm2      4.527 CV     1
 ASSI { 1387}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.200     1.300     1.300 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.88301E-03 ppm1      7.795 ppm2      0.730 CV     1
 ASSI { 1388}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.100     1.200     1.200 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.42359E-02 ppm1      7.795 ppm2      4.238 CV     1
 ASSI { 1389}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.43549E-02 ppm1      8.663 ppm2      4.512 CV     1
 ASSI { 1390}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.400     1.500     1.500 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      8.672 ppm2      1.444 CV     1
 ASSI { 1391}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.43549E-02 ppm1      8.662 ppm2      4.513 CV     1
 ASSI { 1392}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.500     2.600     1.500 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.26647E-03 ppm1      8.593 ppm2      4.474 CV     1
 ASSI { 1393}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.200     2.200     1.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.60124E-03 ppm1      8.602 ppm2      2.941 CV     1
 ASSI { 1394}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      4.300     2.300     1.700 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.70523E-03 ppm1      8.389 ppm2      1.395 CV     1
 ASSI { 1395}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      5.200     3.400     0.800 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.11863E-03 ppm1      8.408 ppm2      0.834 CV     1
 ASSI { 1396}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      4.000     2.000     2.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.52686E-03 ppm1      8.829 ppm2      1.389 CV     1
 ASSI { 1397}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.500     2.700     1.500 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.66601E-03 ppm1      8.186 ppm2      4.153 CV     1
 ASSI { 1398}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      4.300     2.300     1.700 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.59314E-03 ppm1      8.457 ppm2      8.261 CV     1
 ASSI { 1399}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.800     1.000     1.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.29974E-02 ppm1      8.327 ppm2      8.473 CV     1
 ASSI { 1400}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      4.100     2.100     1.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.51484E-03 ppm1      8.449 ppm2      3.743 CV     1
 ASSI { 1401}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.100     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.28444E-02 ppm1      8.506 ppm2      4.092 CV     1
 ASSI { 1402}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.800     1.800     1.800 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.10477E-02 ppm1      8.506 ppm2      3.743 CV     1
 ASSI { 1403}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.700     1.800     1.800 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.10085E-02 ppm1      7.541 ppm2      4.095 CV     1
 ASSI { 1404}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.500     2.600     1.500 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.39810E-03 ppm1      7.458 ppm2      8.480 CV     1
 ASSI { 1405}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.900     1.100     1.100 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.50320E-02 ppm1      7.737 ppm2      4.147 CV     1
 ASSI { 1406}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      5.700     4.100     0.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.11497E-03 ppm1      7.752 ppm2      7.478 CV     1
 ASSI { 1407}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.400     0.700     0.700 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.72091E-02 ppm1      8.179 ppm2      4.117 CV     1
 ASSI { 1408}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      4.400     2.400     1.600 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.66601E-03 ppm1      8.186 ppm2      3.927 CV     1
 ASSI { 1410}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB% ))
      4.500     2.700     1.500 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.12072E-01 ppm1      8.202 ppm2      1.991 CV     1
 ASSI { 1411}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HE% ))
      4.500     2.700     1.500 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.77451E-02 ppm1      8.195 ppm2      0.833 CV     1
 ASSI { 1412}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      4.500     2.700     1.500 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.33745E-03 ppm1      7.871 ppm2      4.327 CV     1

 ASSI {    1}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     3.000     3.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.53534E-02 ppm1      6.167 ppm2      5.264 CV     1
 ASSI {    1}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak     1 spectrum    1 weight  0.10000E+01 volume  0.22634E-02 ppm1      5.844 ppm2      5.009 CV     1
 ASSI {    2}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak     2 spectrum    1 weight  0.10000E+01 volume  0.30314E-02 ppm1      5.268 ppm2      3.715 CV     1
 ASSI {    3}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 79   and name HA  ))
      4.000     2.000     2.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.97062E-03 ppm1      6.158 ppm2      5.844 CV     1
 ASSI {    4}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 16   and name HD2%)
      3.200     1.300     1.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.35042E-02 ppm1      6.165 ppm2      0.806 CV     1
 ASSI {    5}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.33814E-02 ppm1      6.161 ppm2      3.082 CV     1
 ASSI {    6}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.36691E-02 ppm1      6.162 ppm2      2.603 CV     1
 ASSI {    7}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HE1 ))
      4.800     2.900     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.73823E-03 ppm1      6.179 ppm2      9.565 CV     1
 ASSI {    8}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.300     0.700     0.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.66547E-02 ppm1      6.159 ppm2      9.041 CV     1
 ASSI {    9}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.64861E-02 ppm1      5.854 ppm2      9.421 CV     1
 ASSI {   10}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      3.300     3.300     2.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.60407E-03 ppm1      5.860 ppm2      8.512 CV     1
 ASSI {   11}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.700     0.900     0.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.34382E-02 ppm1      5.860 ppm2      1.458 CV     1
 ASSI {   12}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.900     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.34969E-02 ppm1      5.853 ppm2      1.132 CV     1
 ASSI {   13}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
      2.900     1.000     1.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.53956E-02 ppm1      5.858 ppm2      0.594 CV     1
 ASSI {   14}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      4.200     2.200     1.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.76297E-03 ppm1      5.390 ppm2      4.695 CV     1
 ASSI {   15}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      2.900     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.23001E-02 ppm1      5.384 ppm2      1.143 CV     1
 ASSI {   16}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      4.200     2.200     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.82583E-03 ppm1      5.379 ppm2      0.738 CV     1
 ASSI {   17}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.44646E-02 ppm1      5.378 ppm2      8.375 CV     1
 ASSI {   18}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.23844E-02 ppm1      5.386 ppm2      8.877 CV     1
 ASSI {   19}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.14843E-02 ppm1      5.221 ppm2      4.641 CV     1
 ASSI {   20}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      2.900     1.000     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.26520E-02 ppm1      5.222 ppm2      0.722 CV     1
 ASSI {   21}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.100     0.600     0.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.10738E-01 ppm1      5.220 ppm2      8.853 CV     1
 ASSI {   22}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      3.300     3.300     2.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.33283E-02 ppm1      5.040 ppm2      4.654 CV     1
 OR {   22}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {   23}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.300     0.700     0.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.79651E-02 ppm1      5.010 ppm2      8.664 CV     1
 ASSI {   25}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HG2%)
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.42428E-02 ppm1      5.058 ppm2      0.103 CV     1
 ASSI {   26}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
      2.900     1.100     1.100 peak    26 spectrum    1 weight  0.10000E+01 volume  0.44847E-02 ppm1      5.016 ppm2      0.599 CV     1
 ASSI {   27}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      2.700     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.42465E-02 ppm1      5.018 ppm2      0.978 CV     1
 ASSI {   28}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      3.500     1.500     1.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.18951E-02 ppm1      5.051 ppm2      1.709 CV     1
 ASSI {   29}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.200     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.10842E-01 ppm1      5.055 ppm2      7.912 CV     1
 ASSI {   31}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.74886E-02 ppm1      4.877 ppm2      9.366 CV     1
 ASSI {   32}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      2.300     0.700     0.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.23404E-02 ppm1      5.369 ppm2      4.030 CV     1
 ASSI {   33}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.98693E-03 ppm1      5.373 ppm2      3.263 CV     1
 ASSI {   34}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.000     1.100     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.14653E-02 ppm1      5.371 ppm2      2.745 CV     1
 ASSI {   35}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.300     2.300     1.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.72173E-03 ppm1      5.352 ppm2      2.239 CV     1
 ASSI {   36}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.11379E-02 ppm1      5.346 ppm2      1.573 CV     1
 ASSI {   37}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 70   and name HD1 ))
      3.700     1.700     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.54561E-03 ppm1      5.368 ppm2      6.741 CV     1
 ASSI {   38}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.49942E-02 ppm1      5.376 ppm2      9.677 CV     1
 ASSI {   40}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.300     0.600     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.90427E-02 ppm1      5.087 ppm2      9.042 CV     1
 ASSI {   41}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.100     2.100     1.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.98162E-03 ppm1      5.091 ppm2      8.565 CV     1
 ASSI {   42}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.31083E-02 ppm1      5.070 ppm2      8.331 CV     1
 ASSI {   44}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.400     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.19060E-02 ppm1      5.081 ppm2      1.523 CV     1
 ASSI {   45}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
      3.200     3.200     2.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.47560E-02 ppm1      5.088 ppm2      0.697 CV     1
 ASSI {   46}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.900     2.900     3.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.21938E-02 ppm1      5.267 ppm2      3.369 CV     1
 ASSI {   47}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.800     3.800     2.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.15641E-02 ppm1      5.269 ppm2      3.016 CV     1
 ASSI {   48}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.400     0.700     0.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.57676E-02 ppm1      5.270 ppm2      1.725 CV     1
 ASSI {   49}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      4.700     2.700     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.26373E-03 ppm1      5.268 ppm2      4.620 CV     1
 ASSI {   50}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.800     1.800     1.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.62038E-03 ppm1      5.259 ppm2      6.218 CV     1
 ASSI {   51}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.400     0.700     0.700 peak    51 spectrum    1 weight  0.10000E+01 volume  0.51317E-02 ppm1      5.264 ppm2      8.230 CV     1
 ASSI {   52}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      3.600     1.700     1.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.50804E-03 ppm1      5.262 ppm2      9.019 CV     1
 ASSI {   53}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.64018E-02 ppm1      5.112 ppm2      8.447 CV     1
 ASSI {   54}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HZ2 ))
      2.900     2.900     3.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.43418E-02 ppm1      5.107 ppm2      7.462 CV     1
 ASSI {   55}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB1 ))
      2.500     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.59784E-02 ppm1      5.111 ppm2      2.901 CV     1
 ASSI {   56}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      2.900     1.100     1.100 peak    56 spectrum    1 weight  0.10000E+01 volume  0.40998E-02 ppm1      5.097 ppm2      1.396 CV     1
 ASSI {   57}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 97   and name HD2%)
      4.100     2.200     1.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.86322E-03 ppm1      5.120 ppm2     -0.289 CV     1
 ASSI {   58}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.800     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.30295E-02 ppm1      5.294 ppm2      1.198 CV     1
 ASSI {   59}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HD2%)
      3.200     1.200     1.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.48916E-02 ppm1      5.286 ppm2      0.818 CV     1
 ASSI {   62}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.50712E-02 ppm1      5.298 ppm2      9.614 CV     1
 ASSI {   63}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.31267E-02 ppm1      5.409 ppm2      0.281 CV     1
 ASSI {   65}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      4.800     2.800     1.200 peak    65 spectrum    1 weight  0.10000E+01 volume  0.59747E-03 ppm1      5.417 ppm2      1.932 CV     1
 ASSI {   66}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.56118E-02 ppm1      5.410 ppm2      2.660 CV     1
 ASSI {   68}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.100     1.200     1.200 peak    68 spectrum    1 weight  0.10000E+01 volume  0.25255E-02 ppm1      5.412 ppm2      3.580 CV     1
 ASSI {   69}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.84819E-03 ppm1      5.403 ppm2      4.665 CV     1
 ASSI {   70}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak    70 spectrum    1 weight  0.10000E+01 volume  0.12624E-02 ppm1      5.420 ppm2      8.277 CV     1
 ASSI {   71}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.42501E-02 ppm1      5.411 ppm2      8.958 CV     1
 ASSI {   73}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      2.500     0.800     0.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.14578E-01 ppm1      5.347 ppm2      4.010 CV     1
 ASSI {   74}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.54561E-02 ppm1      5.350 ppm2      3.053 CV     1
 ASSI {   75}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      4.000     2.000     2.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.28224E-02 ppm1      5.366 ppm2      2.055 CV     1
 ASSI {   76}
   (( segid "    " and resid 94   and name HA1 ))
   (( segid "    " and resid 94   and name HA2 ))
      2.000     0.500     0.500 peak    76 spectrum    1 weight  0.10000E+01 volume  0.11097E-01 ppm1      5.009 ppm2      3.218 CV     1
 ASSI {   77}
   (( segid "    " and resid 94   and name HA1 ))
   (( segid "    " and resid 93   and name HB2 ))
      4.400     2.400     1.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.68398E-03 ppm1      5.013 ppm2      2.807 CV     1
 ASSI {   79}
   (( segid "    " and resid 94   and name HA1 ))
   (  segid "    " and resid 98   and name HD1%)
      3.900     1.900     1.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.84636E-03 ppm1      5.004 ppm2      0.622 CV     1
 ASSI {   80}
   (( segid "    " and resid 94   and name HA1 ))
   (( segid "    " and resid 33   and name HN  ))
      5.000     3.200     1.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.15818E-02 ppm1      5.026 ppm2      8.751 CV     1
 ASSI {   82}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.66657E-02 ppm1      4.510 ppm2      8.907 CV     1
 ASSI {   83}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      4.521 ppm2      7.324 CV     1
 ASSI {   84}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HB% )
      2.500     0.800     0.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.68709E-02 ppm1      4.521 ppm2      1.350 CV     1
 ASSI {   85}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 13   and name HG2%)
      2.600     0.900     0.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.50290E-02 ppm1      3.760 ppm2      0.728 CV     1
 ASSI {   86}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 14   and name HD2%)
      5.500     5.500     0.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.12926E-03 ppm1      3.765 ppm2      0.384 CV     1
 ASSI {   87}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     3.200     2.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.20710E-02 ppm1      3.763 ppm2      4.691 CV     1
 ASSI {   88}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
      3.400     1.500     1.500 peak    88 spectrum    1 weight  0.10000E+01 volume  0.90757E-03 ppm1      3.755 ppm2      5.238 CV     1
 ASSI {   89}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.15061E-02 ppm1      3.769 ppm2      8.846 CV     1
 ASSI {   90}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.88393E-03 ppm1      3.916 ppm2      8.851 CV     1
 ASSI {   91}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak    91 spectrum    1 weight  0.10000E+01 volume  0.14409E-02 ppm1      3.920 ppm2      8.217 CV     1
 ASSI {   92}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      4.400     2.500     1.600 peak    92 spectrum    1 weight  0.10000E+01 volume  0.32678E-03 ppm1      3.908 ppm2      5.085 CV     1
 ASSI {   93}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.11114E-01 ppm1      3.916 ppm2      4.645 CV     1
 ASSI {   94}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
      3.600     1.700     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.11392E-02 ppm1      3.915 ppm2      4.198 CV     1
 ASSI {   95}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 45   and name HB  ))
      4.600     2.600     1.400 peak    95 spectrum    1 weight  0.10000E+01 volume  0.66345E-03 ppm1      3.924 ppm2      1.352 CV     1
 ASSI {   97}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.67591E-02 ppm1      4.321 ppm2      3.796 CV     1
 ASSI {   98}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.400     4.400     1.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.75069E-03 ppm1      4.319 ppm2      2.097 CV     1
 ASSI {   99}
   (( segid "    " and resid 27   and name HB  ))
   (  segid "    " and resid 27   and name HG2%)
      2.500     0.800     0.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.57310E-02 ppm1      4.320 ppm2      1.138 CV     1
 ASSI {  100}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      2.400     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.63101E-02 ppm1      1.309 ppm2     -0.437 CV     1
 ASSI {  102}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 13   and name HG2%)
      2.500     2.500     3.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.19555E-01 ppm1      1.319 ppm2      0.773 CV     1
 ASSI {  103}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      4.200     2.200     1.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.79852E-03 ppm1      1.309 ppm2      2.640 CV     1
 ASSI {  104}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 72   and name HB1 ))
      4.200     2.200     1.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.11673E-02 ppm1      1.316 ppm2      3.019 CV     1
 ASSI {  105}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.45617E-02 ppm1      1.316 ppm2      4.684 CV     1
 ASSI {  106}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.13428E-02 ppm1      1.321 ppm2      5.372 CV     1
 ASSI {  107}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.71440E-02 ppm1      1.307 ppm2      8.889 CV     1
 ASSI {  108}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 84   and name HG1%)
      4.500     2.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      0.296 ppm2     -0.644 CV     1
 ASSI {  109}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 92   and name HD1%)
      3.400     3.400     2.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.23312E-02 ppm1      0.300 ppm2      0.768 CV     1
 ASSI {  110}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 34   and name HG2%)
      2.700     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.22341E-01 ppm1      0.303 ppm2      1.145 CV     1
 ASSI {  111}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HB  ))
      2.100     0.500     0.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.19500E-01 ppm1      0.299 ppm2      1.813 CV     1
 ASSI {  112}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 91   and name HB1 ))
      3.200     1.300     1.300 peak   112 spectrum    1 weight  0.10000E+01 volume  0.24320E-02 ppm1      0.307 ppm2      2.525 CV     1
 ASSI {  114}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
      2.300     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.84178E-02 ppm1      0.305 ppm2      4.487 CV     1
 ASSI {  116}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 93   and name HZ2 ))
      3.300     1.400     1.400 peak   116 spectrum    1 weight  0.10000E+01 volume  0.37150E-02 ppm1      0.303 ppm2      7.405 CV     1
 ASSI {  117}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.82675E-03 ppm1      0.310 ppm2      8.718 CV     1
 ASSI {  118}
   (  segid "    " and resid 84   and name HG1%)
   (  segid "    " and resid 84   and name HG2%)
      2.200     0.600     0.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.14458E-01 ppm1     -0.647 ppm2      0.108 CV     1
 ASSI {  119}
   (  segid "    " and resid 84   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
      2.500     0.800     0.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.10485E-01 ppm1     -0.642 ppm2      0.454 CV     1
 ASSI {  120}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 84   and name HB  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.11920E-01 ppm1     -0.650 ppm2      0.915 CV     1
 ASSI {  121}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 85   and name HB  ))
      3.200     3.200     2.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.52105E-02 ppm1     -0.648 ppm2      1.647 CV     1
 ASSI {  122}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 39   and name HB2 ))
      3.900     1.900     1.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10872E-02 ppm1     -0.637 ppm2      3.059 CV     1
 ASSI {  123}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 64   and name HB2 ))
      4.800     2.900     1.200 peak   123 spectrum    1 weight  0.10000E+01 volume  0.30845E-03 ppm1     -0.654 ppm2      3.683 CV     1
 ASSI {  125}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.40815E-02 ppm1     -0.644 ppm2      4.820 CV     1
 ASSI {  126}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 84   and name HA  ))
      2.400     0.700     0.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.77195E-02 ppm1     -0.646 ppm2      5.091 CV     1
 ASSI {  127}
   (  segid "    " and resid 84   and name HG1%)
   (  segid "    " and resid 83   and name HD% )
      2.600     2.600     3.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.26483E-02 ppm1     -0.639 ppm2      6.738 CV     1
 ASSI {  129}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 85   and name HN  ))
      3.400     1.400     1.400 peak   129 spectrum    1 weight  0.10000E+01 volume  0.26446E-02 ppm1     -0.647 ppm2      7.980 CV     1
 ASSI {  130}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.14009E-02 ppm1     -0.646 ppm2      8.528 CV     1
 ASSI {  134}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
      2.800     2.800     3.200 peak   134 spectrum    1 weight  0.10000E+01 volume  0.15826E-02 ppm1      0.129 ppm2      2.964 CV     1
 ASSI {  135}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
      3.000     1.100     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.16332E-02 ppm1      0.120 ppm2      3.430 CV     1
 ASSI {  136}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.48879E-02 ppm1      0.113 ppm2      3.789 CV     1
 ASSI {  137}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      3.500     1.600     1.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.17840E-02 ppm1      0.118 ppm2      4.605 CV     1
 ASSI {  139}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
      3.500     1.500     1.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.33557E-02 ppm1      0.119 ppm2      7.964 CV     1
 ASSI {  140}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.72137E-03 ppm1      0.122 ppm2      8.826 CV     1
 ASSI {  142}
   (  segid "    " and resid 97   and name HD2%)
   (( segid "    " and resid 101  and name HG1 ))
      3.100     3.100     2.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.31688E-02 ppm1     -0.471 ppm2      1.852 CV     1
 ASSI {  145}
   (  segid "    " and resid 97   and name HD2%)
   (( segid "    " and resid 97   and name HA  ))
      2.600     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.43656E-02 ppm1     -0.484 ppm2      3.804 CV     1
 ASSI {  146}
   (  segid "    " and resid 97   and name HD2%)
   (( segid "    " and resid 101  and name HN  ))
      3.600     3.600     2.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.18987E-02 ppm1     -0.470 ppm2      7.500 CV     1
 ASSI {  147}
   (  segid "    " and resid 97   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
      3.700     1.700     1.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.90922E-03 ppm1     -0.469 ppm2      4.082 CV     1
 OR {  147}
   (  segid "    " and resid 97   and name HD2%)
   (( segid "    " and resid 32   and name HB  ))
 ASSI {  149}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 97   and name HB2 ))
      2.800     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.67866E-02 ppm1     -0.255 ppm2      1.129 CV     1
 ASSI {  150}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 97   and name HB1 ))
      2.600     2.600     3.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.71697E-02 ppm1     -0.249 ppm2      1.516 CV     1
 ASSI {  151}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.100     1.100 peak   151 spectrum    1 weight  0.10000E+01 volume  0.55734E-02 ppm1     -0.450 ppm2      1.536 CV     1
 ASSI {  152}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 101  and name HB1 ))
      3.900     1.900     1.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.15393E-02 ppm1     -0.250 ppm2      1.940 CV     1
 ASSI {  155}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 93   and name HA  ))
      2.900     1.100     1.100 peak   155 spectrum    1 weight  0.10000E+01 volume  0.12336E-02 ppm1     -0.247 ppm2      5.096 CV     1
 ASSI {  157}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      4.000     2.000     2.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.14006E-02 ppm1     -0.438 ppm2      6.157 CV     1
 ASSI {  158}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 70   and name HZ3 ))
      3.800     1.800     1.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.11224E-02 ppm1     -0.443 ppm2      6.509 CV     1
 ASSI {  159}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 93   and name HD1 ))
      3.300     1.300     1.300 peak   159 spectrum    1 weight  0.10000E+01 volume  0.12043E-02 ppm1     -0.242 ppm2      6.452 CV     1
 ASSI {  161}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 14   and name HD1%)
      2.000     0.500     0.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.24742E-01 ppm1      0.284 ppm2     -0.426 CV     1
 ASSI {  162}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.700     0.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.81007E-02 ppm1      0.281 ppm2      1.067 CV     1
 OR {  162}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 12   and name HG  ))
 ASSI {  163}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.200     0.600     0.600 peak   163 spectrum    1 weight  0.10000E+01 volume  0.23936E-01 ppm1      0.284 ppm2      1.356 CV     1
 ASSI {  164}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 73   and name HB1 ))
      3.600     3.600     2.400 peak   164 spectrum    1 weight  0.10000E+01 volume  0.21113E-02 ppm1      0.282 ppm2      1.931 CV     1
 ASSI {  166}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.89933E-02 ppm1      0.285 ppm2      2.657 CV     1
 ASSI {  168}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.200     1.200 peak   168 spectrum    1 weight  0.10000E+01 volume  0.48897E-02 ppm1      0.282 ppm2      4.679 CV     1
 ASSI {  169}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      3.400     3.400     2.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.27583E-02 ppm1      0.289 ppm2      5.369 CV     1
 ASSI {  171}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 70   and name HH2 ))
      3.100     3.100     2.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.31853E-02 ppm1      0.280 ppm2      6.913 CV     1
 ASSI {  173}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      2.900     2.900     3.100 peak   173 spectrum    1 weight  0.10000E+01 volume  0.44591E-02 ppm1      0.286 ppm2      8.899 CV     1
 ASSI {  174}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 70   and name HE1 ))
      3.900     1.900     1.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.15252E-02 ppm1      0.282 ppm2      9.595 CV     1
 ASSI {  175}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB  ))
      2.800     1.000     1.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.33814E-02 ppm1      4.869 ppm2      1.812 CV     1
 ASSI {  176}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 80   and name HG2%)
      2.500     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.80311E-02 ppm1      4.872 ppm2      0.840 CV     1
 ASSI {  177}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.74134E-02 ppm1      4.903 ppm2      8.753 CV     1
 ASSI {  179}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      2.500     0.800     0.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.72320E-02 ppm1      4.895 ppm2      1.382 CV     1
 ASSI {  180}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak   180 spectrum    1 weight  0.10000E+01 volume  0.66162E-02 ppm1      4.894 ppm2      0.455 CV     1
 ASSI {  181}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.100     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.14123E-01 ppm1      4.593 ppm2      8.764 CV     1
 ASSI {  182}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.52765E-02 ppm1      4.604 ppm2      8.232 CV     1
 ASSI {  184}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.200     3.200     2.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.27326E-02 ppm1      4.591 ppm2      2.898 CV     1
 ASSI {  185}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.300     2.300     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.65355E-03 ppm1      4.604 ppm2      2.461 CV     1
 ASSI {  186}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.800     1.000     1.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.49356E-02 ppm1      4.602 ppm2      1.064 CV     1
 ASSI {  187}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      3.300     1.300     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.34565E-02 ppm1      4.598 ppm2      1.430 CV     1
 ASSI {  188}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.300     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.88595E-02 ppm1      4.586 ppm2      0.689 CV     1
 ASSI {  189}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 84   and name HG1%)
      4.600     2.700     1.400 peak   189 spectrum    1 weight  0.10000E+01 volume  0.52343E-03 ppm1      4.578 ppm2     -0.649 CV     1
 ASSI {  190}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      3.400     1.500     1.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.28737E-02 ppm1      4.593 ppm2      1.777 CV     1
 ASSI {  191}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.200     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.14953E-02 ppm1      3.798 ppm2      7.694 CV     1
 ASSI {  193}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      2.400     2.400     3.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.13394E-01 ppm1      3.791 ppm2      0.721 CV     1
 ASSI {  194}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.37644E-02 ppm1      3.787 ppm2      1.506 CV     1
 ASSI {  195}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.200     1.200     1.200 peak   195 spectrum    1 weight  0.10000E+01 volume  0.17358E-02 ppm1      3.798 ppm2      2.998 CV     1
 ASSI {  196}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 98   and name HD2%)
      2.500     0.800     0.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.74611E-02 ppm1      3.558 ppm2      0.587 CV     1
 ASSI {  197}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB1 ))
      2.200     0.600     0.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.99609E-02 ppm1      3.560 ppm2      1.442 CV     1
 ASSI {  198}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      2.400     2.400     3.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.75930E-02 ppm1      4.819 ppm2      4.524 CV     1
 ASSI {  199}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HD1 ))
      2.400     0.700     0.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.51628E-02 ppm1      4.832 ppm2      3.758 CV     1
 ASSI {  200}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.400     3.400     2.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.11462E-02 ppm1      4.820 ppm2      2.006 CV     1
 ASSI {  201}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB  ))
      2.900     1.100     1.100 peak   201 spectrum    1 weight  0.10000E+01 volume  0.24302E-02 ppm1      4.823 ppm2      1.650 CV     1
 ASSI {  203}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
      2.900     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.34346E-02 ppm1      4.835 ppm2      0.912 CV     1
 ASSI {  204}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 84   and name HG2%)
      3.400     3.400     2.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.50199E-03 ppm1      4.849 ppm2      0.109 CV     1
 ASSI {  205}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.60682E-02 ppm1      3.711 ppm2      6.241 CV     1
 ASSI {  207}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.300     0.600     0.600 peak   207 spectrum    1 weight  0.10000E+01 volume  0.12710E-01 ppm1      3.702 ppm2      3.411 CV     1
 ASSI {  208}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.53039E-02 ppm1      4.938 ppm2      8.552 CV     1
 ASSI {  209}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.34749E-02 ppm1      4.937 ppm2      1.543 CV     1
 ASSI {  210}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.900     1.100     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.23184E-02 ppm1      4.942 ppm2      1.303 CV     1
 ASSI {  211}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HD2%)
      2.600     2.600     3.400 peak   211 spectrum    1 weight  0.10000E+01 volume  0.92535E-02 ppm1      4.939 ppm2      0.705 CV     1
 ASSI {  212}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      4.800     2.900     1.200 peak   212 spectrum    1 weight  0.10000E+01 volume  0.32311E-03 ppm1      4.944 ppm2      4.000 CV     1
 ASSI {  214}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.41438E-02 ppm1      4.947 ppm2      8.271 CV     1
 ASSI {  215}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.000     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.32806E-02 ppm1      4.946 ppm2      2.125 CV     1
 ASSI {  217}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.900     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.36875E-02 ppm1      4.955 ppm2      2.920 CV     1
 ASSI {  220}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HA2 ))
      1.900     0.500     0.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.17781E-01 ppm1      4.120 ppm2      3.589 CV     1
 ASSI {  221}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HA2 ))
      1.800     0.400     0.400 peak   221 spectrum    1 weight  0.10000E+01 volume  0.23532E-01 ppm1      4.129 ppm2      2.627 CV     1
 ASSI {  223}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 24   and name HD1%)
      3.700     1.700     1.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.23771E-02 ppm1      4.141 ppm2      0.708 CV     1
 ASSI {  225}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.11850E-01 ppm1      4.132 ppm2      8.315 CV     1
 ASSI {  226}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.73493E-02 ppm1      3.690 ppm2      5.068 CV     1
 ASSI {  227}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     3.200     2.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.30662E-02 ppm1      3.690 ppm2      4.694 CV     1
 ASSI {  228}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 22   and name HG2%)
      3.300     1.400     1.400 peak   228 spectrum    1 weight  0.10000E+01 volume  0.20362E-02 ppm1      3.688 ppm2      1.119 CV     1
 ASSI {  230}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak   230 spectrum    1 weight  0.10000E+01 volume  0.31065E-02 ppm1      3.688 ppm2      8.197 CV     1
 ASSI {  231}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD1 ))
      3.500     1.500     1.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.11398E-02 ppm1      4.468 ppm2      3.604 CV     1
 ASSI {  232}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.29764E-02 ppm1      4.482 ppm2      4.858 CV     1
 ASSI {  233}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.900     1.100     1.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.41622E-02 ppm1      4.465 ppm2      2.280 CV     1
 ASSI {  234}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak   234 spectrum    1 weight  0.10000E+01 volume  0.96989E-02 ppm1      4.472 ppm2      1.929 CV     1
 ASSI {  235}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      4.468 ppm2      1.529 CV     1
 ASSI {  236}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.24650E-02 ppm1      4.466 ppm2      1.254 CV     1
 ASSI {  237}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 24   and name HD2%)
      3.100     3.100     2.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.50657E-02 ppm1      4.471 ppm2      0.812 CV     1
 ASSI {  238}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.100     3.100     2.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.75014E-02 ppm1      4.465 ppm2      8.127 CV     1
 ASSI {  239}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.42318E-02 ppm1      4.473 ppm2      8.603 CV     1
 ASSI {  242}
   (( segid "    " and resid 84   and name HB  ))
   (  segid "    " and resid 84   and name HG2%)
      2.800     1.000     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.31596E-02 ppm1      0.944 ppm2      0.111 CV     1
 ASSI {  243}
   (( segid "    " and resid 84   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      3.300     1.300     1.300 peak   243 spectrum    1 weight  0.10000E+01 volume  0.15494E-02 ppm1      0.941 ppm2      0.492 CV     1
 ASSI {  245}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 84   and name HA  ))
      3.400     1.400     1.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.98308E-03 ppm1      0.936 ppm2      5.034 CV     1
 ASSI {  246}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HB1 ))
      2.000     0.500     0.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.85644E-02 ppm1      0.576 ppm2      1.440 CV     1
 ASSI {  247}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
      3.200     1.200     1.200 peak   247 spectrum    1 weight  0.10000E+01 volume  0.90464E-03 ppm1      0.558 ppm2      4.662 CV     1
 ASSI {  249}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      4.100     2.100     1.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.33649E-03 ppm1      0.571 ppm2      9.297 CV     1
 ASSI {  250}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.900     1.100     1.100 peak   250 spectrum    1 weight  0.10000E+01 volume  0.16093E-02 ppm1      0.149 ppm2      0.566 CV     1
 ASSI {  251}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.900     0.400     0.400 peak   251 spectrum    1 weight  0.10000E+01 volume  0.13018E-01 ppm1      0.159 ppm2      1.388 CV     1
 ASSI {  252}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HD2 ))
      4.200     2.200     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.92260E-03 ppm1      0.160 ppm2      3.412 CV     1
 ASSI {  253}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.500     1.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.61232E-03 ppm1      0.162 ppm2      4.120 CV     1
 ASSI {  254}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HG1 ))
      3.400     1.400     1.400 peak   254 spectrum    1 weight  0.10000E+01 volume  0.23807E-02 ppm1      0.150 ppm2     -0.806 CV     1
 ASSI {  255}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 84   and name HG1%)
      3.100     1.200     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.42794E-02 ppm1      0.455 ppm2     -0.658 CV     1
 ASSI {  256}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      2.600     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.42666E-02 ppm1      0.455 ppm2      1.400 CV     1
 ASSI {  257}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
      2.800     2.800     3.200 peak   257 spectrum    1 weight  0.10000E+01 volume  0.17739E-02 ppm1      0.455 ppm2      3.026 CV     1
 ASSI {  258}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 40   and name HD2 ))
      4.100     2.100     1.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.75820E-03 ppm1      0.456 ppm2      3.420 CV     1
 ASSI {  259}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak   259 spectrum    1 weight  0.10000E+01 volume  0.27399E-02 ppm1      0.456 ppm2      4.237 CV     1
 ASSI {  260}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.55165E-02 ppm1      0.451 ppm2      4.909 CV     1
 ASSI {  262}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 43   and name HD1 ))
      3.200     1.300     1.300 peak   262 spectrum    1 weight  0.10000E+01 volume  0.19684E-02 ppm1      0.461 ppm2      7.124 CV     1
 ASSI {  263}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 43   and name HZ2 ))
      3.400     1.400     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.26007E-02 ppm1      0.461 ppm2      7.411 CV     1
 ASSI {  264}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.600     1.600 peak   264 spectrum    1 weight  0.10000E+01 volume  0.24357E-02 ppm1      0.450 ppm2      8.812 CV     1
 ASSI {  265}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.000     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.28554E-02 ppm1      0.451 ppm2      8.585 CV     1
 ASSI {  266}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 43   and name HE1 ))
      2.800     1.000     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.33667E-02 ppm1      0.447 ppm2     10.155 CV     1
 ASSI {  268}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 31   and name HB  ))
      2.400     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.89309E-02 ppm1      0.555 ppm2      2.027 CV     1
 ASSI {  269}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.800     1.800     1.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.73420E-03 ppm1      0.568 ppm2      2.657 CV     1
 ASSI {  270}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 94   and name HA2 ))
      3.800     1.800     1.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.15505E-02 ppm1      0.560 ppm2      3.226 CV     1
 ASSI {  272}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 30   and name HA  ))
      3.000     3.000     3.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.53314E-02 ppm1      0.552 ppm2      4.387 CV     1
 ASSI {  274}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      3.800     1.800     1.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.26465E-02 ppm1      0.553 ppm2      8.860 CV     1
 ASSI {  276}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 43   and name HD1 ))
      2.800     2.800     3.200 peak   276 spectrum    1 weight  0.10000E+01 volume  0.17175E-02 ppm1      0.403 ppm2      7.180 CV     1
 ASSI {  277}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 39   and name HH2 ))
      3.800     1.900     1.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.24705E-03 ppm1      0.404 ppm2      6.848 CV     1
 ASSI {  278}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
      2.700     2.700     3.300 peak   278 spectrum    1 weight  0.10000E+01 volume  0.21461E-02 ppm1      0.399 ppm2      4.729 CV     1
 ASSI {  279}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
      3.300     1.400     1.400 peak   279 spectrum    1 weight  0.10000E+01 volume  0.13489E-02 ppm1      0.406 ppm2      3.659 CV     1
 ASSI {  281}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 44   and name HB2 ))
      2.900     2.900     3.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.13729E-02 ppm1      0.402 ppm2      2.372 CV     1
 ASSI {  282}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 44   and name HB1 ))
      2.500     2.500     3.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.29507E-02 ppm1      0.399 ppm2      2.012 CV     1
 ASSI {  283}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB  ))
      1.800     1.800     4.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.36380E-01 ppm1      0.396 ppm2      1.320 CV     1
 ASSI {  284}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 62   and name HB1 ))
      3.500     3.500     2.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      0.394 ppm2      1.683 CV     1
 OR {  284}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 85   and name HB  ))
 ASSI {  286}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 54   and name HA2 ))
      2.500     2.500     3.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.34492E-02 ppm1      0.636 ppm2      3.773 CV     1
 ASSI {  287}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
      3.100     1.200     1.200 peak   287 spectrum    1 weight  0.10000E+01 volume  0.94129E-03 ppm1      0.640 ppm2      4.445 CV     1
 ASSI {  288}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 55   and name HB  ))
      2.400     0.700     0.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.11563E-01 ppm1      0.638 ppm2      1.730 CV     1
 ASSI {  290}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      3.300     3.300     2.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.59033E-03 ppm1      0.640 ppm2      5.113 CV     1
 ASSI {  291}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
      5.500     3.800     0.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.40009E-03 ppm1      0.640 ppm2      7.697 CV     1
 ASSI {  292}
   (  segid "    " and resid 101  and name HE% )
   (  segid "    " and resid 98   and name HD2%)
      2.700     0.900     0.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.64696E-02 ppm1      1.389 ppm2     -0.253 CV     1
 ASSI {  293}
   (  segid "    " and resid 101  and name HE% )
   (  segid "    " and resid 97   and name HD2%)
      2.200     2.200     3.800 peak   293 spectrum    1 weight  0.10000E+01 volume  0.81227E-02 ppm1      1.390 ppm2     -0.490 CV     1
 ASSI {  294}
   (  segid "    " and resid 101  and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      2.000     2.000     4.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.11194E-01 ppm1      1.387 ppm2      0.266 CV     1
 ASSI {  296}
   (  segid "    " and resid 101  and name HE% )
   (( segid "    " and resid 100  and name HB1 ))
      2.600     2.600     3.400 peak   296 spectrum    1 weight  0.10000E+01 volume  0.24944E-02 ppm1      1.390 ppm2      2.693 CV     1
 ASSI {  297}
   (  segid "    " and resid 101  and name HE% )
   (( segid "    " and resid 93   and name HB1 ))
      3.700     1.700     1.700 peak   297 spectrum    1 weight  0.10000E+01 volume  0.13713E-02 ppm1      1.390 ppm2      3.029 CV     1
 ASSI {  298}
   (  segid "    " and resid 101  and name HE% )
   (( segid "    " and resid 97   and name HA  ))
      3.600     1.700     1.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.13256E-02 ppm1      1.381 ppm2      3.760 CV     1
 ASSI {  299}
   (  segid "    " and resid 101  and name HE% )
   (( segid "    " and resid 101  and name HA  ))
      2.400     2.400     3.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.45818E-02 ppm1      1.390 ppm2      4.270 CV     1
 ASSI {  300}
   (  segid "    " and resid 101  and name HE% )
   (( segid "    " and resid 70   and name HE1 ))
      4.500     2.700     1.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.29012E-02 ppm1      1.392 ppm2      6.977 CV     1
 ASSI {  301}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      4.000     2.000     2.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.16744E-02 ppm1      1.762 ppm2      0.275 CV     1
 ASSI {  302}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 2    and name HG2%)
      3.100     3.100     2.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.90757E-03 ppm1      1.759 ppm2      0.630 CV     1
 ASSI {  303}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      3.600     1.700     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.39844E-02 ppm1      1.755 ppm2      1.351 CV     1
 ASSI {  304}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 12   and name HG  ))
      2.800     2.800     3.200 peak   304 spectrum    1 weight  0.10000E+01 volume  0.15364E-02 ppm1      1.756 ppm2      1.099 CV     1
 OR {  304}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 22   and name HG2%)
 OR {  304}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 19   and name HG2 ))
 ASSI {  305}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 73   and name HE1 ))
      4.200     2.200     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.55440E-03 ppm1      1.758 ppm2      3.055 CV     1
 ASSI {  306}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.700     1.700 peak   306 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      1.758 ppm2      3.990 CV     1
 ASSI {  307}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 74   and name HA  ))
      3.700     3.700     2.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.18201E-02 ppm1      1.754 ppm2      4.389 CV     1
 ASSI {  308}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   308 spectrum    1 weight  0.10000E+01 volume  0.13806E-02 ppm1      1.751 ppm2      5.478 CV     1
 ASSI {  309}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 15   and name HZ3 ))
      3.700     1.700     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.11499E-02 ppm1      1.752 ppm2      6.314 CV     1
 ASSI {  310}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 15   and name HH2 ))
      3.900     1.900     1.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.91105E-03 ppm1      1.747 ppm2      6.915 CV     1
 ASSI {  311}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 15   and name HZ2 ))
      3.300     3.300     2.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.23093E-02 ppm1      1.753 ppm2      7.336 CV     1
 ASSI {  312}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 20   and name HN  ))
      3.000     3.000     3.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.11530E-02 ppm1      1.754 ppm2      8.522 CV     1
 ASSI {  314}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 15   and name HE1 ))
      3.600     1.600     1.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      1.755 ppm2     10.164 CV     1
 ASSI {  316}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      2.400     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.73071E-02 ppm1      1.177 ppm2      1.738 CV     1
 ASSI {  317}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
      2.800     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.27308E-02 ppm1      1.173 ppm2      2.796 CV     1
 ASSI {  318}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 38   and name HB1 ))
      3.300     1.300     1.300 peak   318 spectrum    1 weight  0.10000E+01 volume  0.27125E-02 ppm1      1.177 ppm2      3.023 CV     1
 ASSI {  319}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 82   and name HD1 ))
      4.400     2.400     1.600 peak   319 spectrum    1 weight  0.10000E+01 volume  0.35170E-03 ppm1      1.184 ppm2      3.454 CV     1
 ASSI {  320}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
      4.300     2.300     1.700 peak   320 spectrum    1 weight  0.10000E+01 volume  0.43106E-03 ppm1      1.183 ppm2      3.786 CV     1
 ASSI {  322}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   322 spectrum    1 weight  0.10000E+01 volume  0.38084E-02 ppm1      1.177 ppm2      4.482 CV     1
 ASSI {  323}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 93   and name HZ3 ))
      4.500     2.500     1.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.10278E-02 ppm1      1.171 ppm2      6.723 CV     1
 ASSI {  324}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      2.700     2.700     3.300 peak   324 spectrum    1 weight  0.10000E+01 volume  0.77525E-02 ppm1      1.178 ppm2      7.346 CV     1
 ASSI {  325}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak   325 spectrum    1 weight  0.10000E+01 volume  0.17094E-02 ppm1      1.176 ppm2      9.114 CV     1
 ASSI {  326}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1     -0.431 ppm2      8.865 CV     1
 ASSI {  327}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      2.400     2.400     3.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.12274E-01 ppm1      0.612 ppm2      5.869 CV     1
 ASSI {  328}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 70   and name HN  ))
      3.500     3.500     2.500 peak   328 spectrum    1 weight  0.10000E+01 volume  0.17103E-02 ppm1      0.613 ppm2      8.679 CV     1
 ASSI {  332}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.42941E-03 ppm1      0.115 ppm2      4.119 CV     1
 ASSI {  333}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
      2.600     0.800     0.800 peak   333 spectrum    1 weight  0.10000E+01 volume  0.10817E-01 ppm1      0.137 ppm2      1.698 CV     1
 ASSI {  334}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 68   and name HD2%)
      2.500     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.84141E-02 ppm1      0.141 ppm2      0.824 CV     1
 ASSI {  335}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 67   and name HB1 ))
      4.100     4.100     1.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.78405E-03 ppm1      0.148 ppm2      2.756 CV     1
 ASSI {  337}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.900     0.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.67591E-02 ppm1      0.143 ppm2      4.390 CV     1
 ASSI {  338}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      2.700     2.700     3.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.26703E-02 ppm1      0.141 ppm2      4.711 CV     1
 OR {  338}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  340}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      3.700     1.800     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.24009E-02 ppm1      0.455 ppm2      4.647 CV     1
 ASSI {  341}
   (  segid "    " and resid 34   and name HG2%)
   (  segid "    " and resid 84   and name HG1%)
      3.600     1.700     1.700 peak   341 spectrum    1 weight  0.10000E+01 volume  0.65575E-03 ppm1      1.170 ppm2     -0.692 CV     1
 ASSI {  342}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 84   and name HN  ))
      5.100     3.300     0.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.23056E-03 ppm1      1.180 ppm2      8.137 CV     1
 ASSI {  343}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.49924E-02 ppm1      4.089 ppm2      9.387 CV     1
 ASSI {  344}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
      3.100     1.200     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.27546E-02 ppm1      0.612 ppm2      9.386 CV     1
 ASSI {  345}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HG1 ))
      2.000     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.90024E-02 ppm1      0.598 ppm2     -0.827 CV     1
 ASSI {  347}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      2.500     0.800     0.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.77250E-02 ppm1      0.615 ppm2      1.549 CV     1
 ASSI {  349}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      3.800     1.800     1.800 peak   349 spectrum    1 weight  0.10000E+01 volume  0.64219E-03 ppm1      3.550 ppm2      7.505 CV     1
 ASSI {  351}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.900     2.900     3.100 peak   351 spectrum    1 weight  0.10000E+01 volume  0.13016E-02 ppm1      3.762 ppm2      6.197 CV     1
 ASSI {  354}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 98   and name HA  ))
      3.500     1.700     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.71862E-02 ppm1      0.562 ppm2      3.585 CV     1
 ASSI {  355}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 94   and name HN  ))
      3.200     3.200     2.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.25475E-02 ppm1      0.567 ppm2      8.398 CV     1
 ASSI {  356}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 93   and name HB2 ))
      3.700     1.700     1.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.16401E-02 ppm1      0.568 ppm2      2.849 CV     1
 ASSI {  357}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 98   and name HB2 ))
      2.500     0.800     0.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.13040E-01 ppm1      0.571 ppm2      1.594 CV     1
 ASSI {  358}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      2.200     0.600     0.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.12899E-01 ppm1      4.064 ppm2      4.479 CV     1
 ASSI {  359}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak   359 spectrum    1 weight  0.10000E+01 volume  0.14321E-02 ppm1      4.068 ppm2      8.936 CV     1
 ASSI {  360}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      3.300     1.400     1.400 peak   360 spectrum    1 weight  0.10000E+01 volume  0.11138E-02 ppm1      4.054 ppm2      1.401 CV     1
 ASSI {  361}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.45049E-02 ppm1      4.073 ppm2      1.083 CV     1
 ASSI {  362}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.500     1.500 peak   362 spectrum    1 weight  0.10000E+01 volume  0.12945E-02 ppm1      4.094 ppm2      8.115 CV     1
 ASSI {  363}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.300     1.300 peak   363 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      4.090 ppm2      8.350 CV     1
 ASSI {  364}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 84   and name HG2%)
      4.100     2.100     1.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.64329E-03 ppm1      0.807 ppm2      0.131 CV     1
 ASSI {  366}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.900     0.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.24504E-02 ppm1      0.807 ppm2      4.675 CV     1
 ASSI {  367}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HG1 ))
      5.800     4.200     0.200 peak   367 spectrum    1 weight  0.10000E+01 volume  0.16660E-03 ppm1      0.805 ppm2      2.256 CV     1
 ASSI {  370}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.17314E-02 ppm1      3.077 ppm2      5.282 CV     1
 ASSI {  371}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      4.500     2.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.64696E-03 ppm1      3.067 ppm2      1.197 CV     1
 ASSI {  372}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 68   and name HD2%)
      3.800     3.800     2.200 peak   372 spectrum    1 weight  0.10000E+01 volume  0.20637E-02 ppm1      3.080 ppm2      0.831 CV     1
 ASSI {  373}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 97   and name HD2%)
      3.800     1.800     1.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.87293E-03 ppm1      3.074 ppm2     -0.440 CV     1
 OR {  373}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  375}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      3.200     1.300     1.300 peak   375 spectrum    1 weight  0.10000E+01 volume  0.22634E-02 ppm1      3.063 ppm2      9.061 CV     1
 ASSI {  378}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 94   and name HA2 ))
      3.400     1.500     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.15335E-02 ppm1      4.504 ppm2      3.171 CV     1
 ASSI {  379}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      4.700     2.700     1.300 peak   379 spectrum    1 weight  0.10000E+01 volume  0.37131E-03 ppm1      4.499 ppm2      1.765 CV     1
 OR {  379}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI {  380}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      3.400     1.400     1.400 peak   380 spectrum    1 weight  0.10000E+01 volume  0.12864E-02 ppm1      4.489 ppm2      1.379 CV     1
 ASSI {  381}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      4.500     2.500     1.500 peak   381 spectrum    1 weight  0.10000E+01 volume  0.50364E-03 ppm1      4.485 ppm2      0.702 CV     1
 OR {  381}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 92   and name HD1%)
 OR {  381}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI {  383}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.59033E-02 ppm1      4.490 ppm2      8.761 CV     1
 ASSI {  384}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HB  ))
      2.300     0.700     0.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.11339E-01 ppm1      0.981 ppm2      4.008 CV     1
 ASSI {  385}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      2.900     2.900     3.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.54487E-02 ppm1      0.985 ppm2      4.687 CV     1
 ASSI {  386}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak   386 spectrum    1 weight  0.10000E+01 volume  0.71953E-02 ppm1      0.401 ppm2      1.533 CV     1
 ASSI {  388}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 51   and name HB1 ))
      2.700     2.700     3.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.18731E-02 ppm1      0.395 ppm2      2.645 CV     1
 ASSI {  389}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.80622E-02 ppm1      4.455 ppm2      4.092 CV     1
 ASSI {  390}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.90134E-02 ppm1      4.454 ppm2      8.365 CV     1
 ASSI {  391}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak   391 spectrum    1 weight  0.10000E+01 volume  0.27106E-02 ppm1      4.458 ppm2      8.045 CV     1
 ASSI {  392}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.400     1.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.29269E-02 ppm1      4.443 ppm2      1.532 CV     1
 ASSI {  395}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
      2.400     0.700     0.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.97868E-02 ppm1      1.049 ppm2      3.957 CV     1
 ASSI {  397}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      4.100     2.100     1.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.84783E-03 ppm1      1.046 ppm2      4.961 CV     1
 ASSI {  398}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 84   and name HG2%)
      3.400     1.500     1.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.29800E-02 ppm1      0.458 ppm2      0.135 CV     1
 ASSI {  399}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 36   and name HD1%)
      3.400     1.400     1.400 peak   399 spectrum    1 weight  0.10000E+01 volume  0.28426E-02 ppm1      0.458 ppm2      0.749 CV     1
 ASSI {  400}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.22891E-02 ppm1      1.373 ppm2      4.104 CV     1
 ASSI {  401}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 39   and name HB2 ))
      4.700     2.800     1.300 peak   401 spectrum    1 weight  0.10000E+01 volume  0.10793E-02 ppm1      1.512 ppm2      3.017 CV     1
 ASSI {  402}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.46203E-02 ppm1      1.522 ppm2      4.652 CV     1
 ASSI {  403}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 39   and name HD1 ))
      5.900     4.300     0.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.25878E-03 ppm1      1.523 ppm2      6.670 CV     1
 ASSI {  406}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 39   and name HA  ))
      2.400     0.700     0.700 peak   406 spectrum    1 weight  0.10000E+01 volume  0.66015E-02 ppm1      3.406 ppm2      4.671 CV     1
 ASSI {  407}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     3.600     2.400 peak   407 spectrum    1 weight  0.10000E+01 volume  0.14548E-02 ppm1      3.408 ppm2      7.316 CV     1
 ASSI {  408}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.300     1.400     1.400 peak   408 spectrum    1 weight  0.10000E+01 volume  0.15019E-02 ppm1      4.437 ppm2      1.667 CV     1
 ASSI {  410}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HD1 ))
      2.000     2.000     4.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.20142E-01 ppm1      4.549 ppm2      3.758 CV     1
 ASSI {  411}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
      2.600     0.900     0.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.54414E-02 ppm1      4.546 ppm2      0.746 CV     1
 ASSI {  412}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HG1 ))
      2.800     1.000     1.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.80622E-02 ppm1      3.991 ppm2      2.282 CV     1
 ASSI {  413}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.200     2.200     3.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.11904E-01 ppm1      3.997 ppm2      1.910 CV     1
 ASSI {  414}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.600     2.600     3.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.54432E-02 ppm1      3.996 ppm2      1.557 CV     1
 ASSI {  415}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      5.000     3.100     1.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.35628E-03 ppm1      4.004 ppm2      0.874 CV     1
 ASSI {  416}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.300     1.300 peak   416 spectrum    1 weight  0.10000E+01 volume  0.18437E-02 ppm1      3.998 ppm2      7.720 CV     1
 ASSI {  417}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HD1 ))
      4.700     2.800     1.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.58684E-03 ppm1      3.739 ppm2      3.302 CV     1
 ASSI {  418}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB1 ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.57896E-02 ppm1      3.725 ppm2      1.899 CV     1
 ASSI {  419}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HG1 ))
      2.500     2.500     3.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.68489E-02 ppm1      3.734 ppm2      1.433 CV     1
 ASSI {  420}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.200     1.300     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.13975E-02 ppm1      3.743 ppm2      1.073 CV     1
 ASSI {  421}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 98   and name HD1%)
      3.800     1.800     1.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.14737E-02 ppm1      3.729 ppm2      0.582 CV     1
 ASSI {  422}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 99   and name HA  ))
      3.700     3.700     2.300 peak   422 spectrum    1 weight  0.10000E+01 volume  0.13784E-02 ppm1      3.741 ppm2      4.152 CV     1
 ASSI {  423}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 79   and name HD1%)
      2.900     2.900     3.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.48549E-02 ppm1      4.119 ppm2      0.609 CV     1
 ASSI {  424}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 68   and name HD1%)
      3.400     3.400     2.600 peak   424 spectrum    1 weight  0.10000E+01 volume  0.19867E-02 ppm1      4.116 ppm2      0.165 CV     1
 ASSI {  425}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 88   and name HD2%)
      4.000     2.000     2.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.92462E-03 ppm1      4.192 ppm2      0.818 CV     1
 ASSI {  426}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.13401E-02 ppm1      4.301 ppm2      2.941 CV     1
 ASSI {  427}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.700     0.900     0.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.38799E-02 ppm1      4.315 ppm2      1.910 CV     1
 ASSI {  428}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   428 spectrum    1 weight  0.10000E+01 volume  0.54121E-02 ppm1      4.307 ppm2      2.287 CV     1
 ASSI {  429}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD2 ))
      4.200     2.200     1.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.58684E-03 ppm1      4.301 ppm2      3.481 CV     1
 ASSI {  431}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.31303E-02 ppm1      1.821 ppm2      9.352 CV     1
 ASSI {  433}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HD1%)
      3.100     1.200     1.200 peak   433 spectrum    1 weight  0.10000E+01 volume  0.16551E-02 ppm1      1.180 ppm2      0.429 CV     1
 ASSI {  434}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HD2%)
      2.600     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.86212E-02 ppm1      1.170 ppm2      0.852 CV     1
 ASSI {  436}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.14002E-01 ppm1      1.302 ppm2      0.475 CV     1
 ASSI {  437}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 16   and name HD2%)
      2.700     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.41878E-02 ppm1      2.269 ppm2      0.852 CV     1
 ASSI {  438}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 16   and name HD1%)
      3.700     1.700     1.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.13720E-02 ppm1      2.273 ppm2      0.411 CV     1
 ASSI {  442}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.67353E-03 ppm1      1.167 ppm2      8.187 CV     1
 ASSI {  443}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
      2.900     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.33044E-02 ppm1      1.144 ppm2      0.761 CV     1
 ASSI {  444}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
      3.000     1.100     1.100 peak   444 spectrum    1 weight  0.10000E+01 volume  0.43308E-02 ppm1      1.153 ppm2      0.553 CV     1
 ASSI {  446}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.50785E-02 ppm1      0.614 ppm2      5.017 CV     1
 ASSI {  447}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.300     3.300     2.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.63798E-03 ppm1      0.617 ppm2      6.265 CV     1
 ASSI {  448}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HZ3 ))
      5.300     3.600     0.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.14229E-03 ppm1      0.160 ppm2      6.724 CV     1
 ASSI {  449}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 42   and name HB1 ))
      4.500     2.600     1.500 peak   449 spectrum    1 weight  0.10000E+01 volume  0.61177E-03 ppm1      0.182 ppm2      3.013 CV     1
 ASSI {  450}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 43   and name HZ2 ))
      3.600     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.75546E-03 ppm1     -0.824 ppm2      7.380 CV     1
 ASSI {  452}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 97   and name HD2%)
      3.000     1.200     1.200 peak   452 spectrum    1 weight  0.10000E+01 volume  0.38268E-02 ppm1      1.169 ppm2      0.481 CV     1
 ASSI {  453}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 97   and name HD1%)
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.25878E-02 ppm1      1.176 ppm2     -0.228 CV     1
 ASSI {  454}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
      3.300     1.300     1.300 peak   454 spectrum    1 weight  0.10000E+01 volume  0.97044E-03 ppm1      1.186 ppm2      3.860 CV     1
 ASSI {  455}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 93   and name HZ2 ))
      4.400     2.400     1.600 peak   455 spectrum    1 weight  0.10000E+01 volume  0.57310E-03 ppm1      1.187 ppm2      7.428 CV     1
 ASSI {  456}
   (  segid "    " and resid 101  and name HE% )
   (( segid "    " and resid 103  and name HN  ))
      3.300     3.300     2.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.67078E-03 ppm1      1.390 ppm2      7.692 CV     1
 OR {  456}
   (  segid "    " and resid 101  and name HE% )
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  457}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD1 ))
      2.200     0.600     0.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.76370E-02 ppm1      5.345 ppm2      3.816 CV     1
 ASSI {  458}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak   458 spectrum    1 weight  0.10000E+01 volume  0.13132E-02 ppm1      1.829 ppm2      2.833 CV     1
 ASSI {  459}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 98   and name HD2%)
      3.700     1.800     1.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.12765E-02 ppm1      3.991 ppm2     -0.273 CV     1
 ASSI {  460}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
      2.400     0.700     0.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.89089E-02 ppm1      3.988 ppm2      0.872 CV     1
 ASSI {  461}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB  ))
      2.600     0.800     0.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.66455E-02 ppm1      3.989 ppm2      1.593 CV     1
 ASSI {  462}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.26776E-02 ppm1      3.987 ppm2      2.938 CV     1
 ASSI {  463}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 25   and name HB  ))
      3.500     3.500     2.500 peak   463 spectrum    1 weight  0.10000E+01 volume  0.43619E-03 ppm1      4.320 ppm2      1.781 CV     1
 ASSI {  464}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 92   and name HA  ))
      4.100     2.100     1.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.68526E-03 ppm1      4.516 ppm2      4.816 CV     1
 ASSI {  466}
   (  segid "    " and resid 29   and name HB% )
   (( segid "    " and resid 94   and name HA1 ))
      2.800     1.000     1.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.32714E-02 ppm1      1.366 ppm2      5.003 CV     1
 ASSI {  467}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HG2%)
      3.100     1.200     1.200 peak   467 spectrum    1 weight  0.10000E+01 volume  0.25713E-02 ppm1      4.112 ppm2      1.041 CV     1
 ASSI {  468}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      2.800     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.38359E-02 ppm1      3.801 ppm2      1.503 CV     1
 ASSI {  470}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 97   and name HD1%)
      3.000     1.100     1.100 peak   470 spectrum    1 weight  0.10000E+01 volume  0.24192E-02 ppm1      3.798 ppm2      0.537 CV     1
 ASSI {  472}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     1.500     1.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.83683E-03 ppm1      1.170 ppm2      5.278 CV     1
 ASSI {  473}
   (( segid "    " and resid 94   and name HA2 ))
   (  segid "    " and resid 97   and name HD2%)
      4.600     2.700     1.400 peak   473 spectrum    1 weight  0.10000E+01 volume  0.18896E-03 ppm1      3.224 ppm2     -0.427 CV     1
 ASSI {  474}
   (( segid "    " and resid 94   and name HA2 ))
   (  segid "    " and resid 92   and name HD1%)
      2.800     2.800     3.200 peak   474 spectrum    1 weight  0.10000E+01 volume  0.16843E-02 ppm1      3.227 ppm2      0.784 CV     1
 ASSI {  475}
   (( segid "    " and resid 94   and name HA2 ))
   (  segid "    " and resid 32   and name HG2%)
      3.000     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.25952E-02 ppm1      3.222 ppm2      1.338 CV     1
 ASSI {  476}
   (( segid "    " and resid 94   and name HA2 ))
   (( segid "    " and resid 95   and name HB1 ))
      3.300     3.300     2.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.86340E-02 ppm1      3.234 ppm2      1.877 CV     1
 ASSI {  478}
   (( segid "    " and resid 94   and name HA2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.800     1.800     1.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.19097E-02 ppm1      3.226 ppm2      4.306 CV     1
 ASSI {  479}
   (( segid "    " and resid 80   and name HB  ))
   (  segid "    " and resid 97   and name HD2%)
      4.700     2.700     1.300 peak   479 spectrum    1 weight  0.10000E+01 volume  0.60096E-03 ppm1      1.816 ppm2     -0.443 CV     1
 ASSI {  480}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 68   and name HD1%)
      3.300     1.400     1.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.13960E-02 ppm1      1.000 ppm2      0.119 CV     1
 ASSI {  482}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 90   and name HG2%)
      3.200     3.200     2.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.60664E-02 ppm1      1.281 ppm2      0.742 CV     1
 ASSI {  483}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 88   and name HD1%)
      2.500     0.800     0.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.81337E-02 ppm1      1.281 ppm2      0.742 CV     1
 ASSI {  484}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 87   and name HB1 ))
      3.600     3.600     2.400 peak   484 spectrum    1 weight  0.10000E+01 volume  0.11312E-02 ppm1      1.283 ppm2      2.869 CV     1
 ASSI {  485}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.800     1.000     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.22030E-02 ppm1      1.295 ppm2      4.544 CV     1
 ASSI {  486}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 33   and name HB  ))
      3.700     1.700     1.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.71385E-03 ppm1      1.986 ppm2      1.441 CV     1
 ASSI {  487}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 90   and name HG1%)
      2.200     0.600     0.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.14484E-01 ppm1      1.979 ppm2      0.757 CV     1
 ASSI {  488}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      2.500     2.500     3.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.31267E-02 ppm1      1.978 ppm2      0.753 CV     1
 ASSI {  489}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.18206E-02 ppm1      4.660 ppm2      5.321 CV     1
 ASSI {  490}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      3.800     1.800     1.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.13954E-02 ppm1      4.658 ppm2      0.491 CV     1
 ASSI {  493}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.31102E-02 ppm1      6.167 ppm2      5.290 CV     1
 ASSI {  494}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.400     2.500     1.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.24595E-03 ppm1      6.163 ppm2      1.193 CV     1
 ASSI {  495}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      4.700     2.800     1.300 peak   495 spectrum    1 weight  0.10000E+01 volume  0.26208E-03 ppm1      5.080 ppm2      1.065 CV     1
 ASSI {  496}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      2.300     0.700     0.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.71532E-02 ppm1      5.079 ppm2      4.946 CV     1
 ASSI {  497}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.300     2.300     3.700 peak   497 spectrum    1 weight  0.10000E+01 volume  0.88705E-02 ppm1      4.832 ppm2      0.865 CV     1
 ASSI {  498}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      3.400     3.400     2.600 peak   498 spectrum    1 weight  0.10000E+01 volume  0.28023E-02 ppm1      4.845 ppm2      0.726 CV     1
 ASSI {  499}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
      5.300     3.500     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.18456E-03 ppm1      3.567 ppm2      0.943 CV     1
 ASSI {  501}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 101  and name HE% )
      3.500     1.700     1.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.67903E-02 ppm1      3.563 ppm2      1.402 CV     1
 ASSI {  502}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 67   and name HD% )
      3.600     1.600     1.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.77671E-03 ppm1      4.850 ppm2      6.909 CV     1
 ASSI {  503}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.700     0.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.42520E-02 ppm1      5.393 ppm2      5.203 CV     1
 ASSI {  504}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 93   and name HA  ))
      3.400     1.500     1.500 peak   504 spectrum    1 weight  0.10000E+01 volume  0.97593E-03 ppm1      4.495 ppm2      5.019 CV     1
 ASSI {  505}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 98   and name HD1%)
      3.400     1.500     1.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.14920E-02 ppm1      3.976 ppm2      0.519 CV     1
 ASSI {  506}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 92   and name HD1%)
      3.600     1.600     1.600 peak   506 spectrum    1 weight  0.10000E+01 volume  0.11508E-02 ppm1      4.525 ppm2      0.699 CV     1
 ASSI {  507}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      3.400     1.500     1.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.21461E-02 ppm1      4.431 ppm2      0.914 CV     1
 ASSI {  508}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 35   and name HG1 ))
      3.000     3.000     3.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.35372E-02 ppm1      4.545 ppm2      1.259 CV     1
 ASSI {  509}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 95   and name HE  ))
      4.200     2.300     1.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.45562E-03 ppm1      4.141 ppm2      7.169 CV     1
 ASSI {  510}
   (( segid "    " and resid 94   and name HA2 ))
   (  segid "    " and resid 29   and name HB% )
      4.400     2.400     1.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.97245E-03 ppm1      3.223 ppm2      1.325 CV     1
 ASSI {  512}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.700     1.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.59967E-03 ppm1     -0.449 ppm2      5.407 CV     1
 ASSI {  513}
   (  segid "    " and resid 97   and name HD2%)
   (( segid "    " and resid 78   and name HA2 ))
      3.000     1.100     1.100 peak   513 spectrum    1 weight  0.10000E+01 volume  0.27583E-02 ppm1     -0.481 ppm2      3.782 CV     1
 ASSI {  514}
   (  segid "    " and resid 97   and name HD2%)
   (  segid "    " and resid 98   and name HD1%)
      2.900     2.900     3.100 peak   514 spectrum    1 weight  0.10000E+01 volume  0.14438E-02 ppm1     -0.470 ppm2      0.519 CV     1
 ASSI {  515}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 42   and name HB2 ))
      4.800     2.900     1.200 peak   515 spectrum    1 weight  0.10000E+01 volume  0.49979E-03 ppm1     -0.829 ppm2      2.706 CV     1
 ASSI {  516}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 39   and name HA  ))
      4.100     2.100     1.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.20252E-02 ppm1      0.592 ppm2      4.648 CV     1
 ASSI {  518}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HD2 ))
      2.200     0.600     0.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.15679E-01 ppm1      4.099 ppm2      3.740 CV     1
 ASSI {  519}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
      3.100     3.100     2.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.90482E-03 ppm1     -0.243 ppm2      3.716 CV     1
 ASSI {  520}
   (  segid "    " and resid 98   and name HD2%)
   (  segid "    " and resid 29   and name HB% )
      2.800     1.000     1.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.30332E-02 ppm1     -0.253 ppm2      1.343 CV     1
 ASSI {  522}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 95   and name HA  ))
      3.500     1.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.86249E-03 ppm1     -0.243 ppm2      3.766 CV     1
 ASSI {  523}
   (  segid "    " and resid 98   and name HD1%)
   (  segid "    " and resid 25   and name HG2%)
      2.600     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.53296E-02 ppm1      0.554 ppm2      0.829 CV     1
 ASSI {  524}
   (  segid "    " and resid 98   and name HD1%)
   (  segid "    " and resid 101  and name HE% )
      2.600     0.800     0.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.69534E-02 ppm1      0.559 ppm2      1.408 CV     1
 ASSI {  525}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 16   and name HD1%)
      3.400     1.400     1.400 peak   525 spectrum    1 weight  0.10000E+01 volume  0.19720E-02 ppm1      0.137 ppm2      0.374 CV     1
 ASSI {  526}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 93   and name HZ3 ))
      3.600     1.700     1.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.15368E-02 ppm1      0.145 ppm2      6.615 CV     1
 ASSI {  529}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 39   and name HD1 ))
      3.400     1.500     1.500 peak   529 spectrum    1 weight  0.10000E+01 volume  0.10097E-02 ppm1      0.459 ppm2      6.638 CV     1
 ASSI {  530}
   (  segid "    " and resid 101  and name HE% )
   (  segid "    " and resid 25   and name HD1%)
      2.000     2.000     4.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.12659E-01 ppm1      1.387 ppm2      0.716 CV     1
 ASSI {  531}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      4.700     2.700     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.40925E-03 ppm1      1.756 ppm2      5.410 CV     1
 ASSI {  532}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.88356E-03 ppm1      0.401 ppm2      4.137 CV     1
 ASSI {  533}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 92   and name HD1%)
      2.200     2.200     3.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.17389E-01 ppm1      1.978 ppm2      0.762 CV     1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TRP   1          1HT       TRP   1   7.666 -18.762   6.333
    2   2H    TRP   1          2HT       TRP   1   8.758 -19.793   5.504
    3   3H    TRP   1          3HT       TRP   1   7.073 -19.900   5.197
    4    HA   TRP   1           HA       TRP   1   8.722 -17.522   4.669
    5   1HB   TRP   1          2HB       TRP   1   7.786 -19.736   2.827
    6   2HB   TRP   1          1HB       TRP   1   8.554 -18.243   2.297
    7    HD1  TRP   1           HD       TRP   1   9.332 -21.668   3.666
    8    HE1  TRP   1           1HE      TRP   1  11.882 -21.984   3.787
    9    HE3  TRP   1           3HE      TRP   1  10.791 -16.860   2.727
   10    HZ2  TRP   1           2HZ      TRP   1  14.207 -20.405   3.518
   11    HZ3  TRP   1           3HZ      TRP   1  13.196 -16.345   2.677
   12    HH2  TRP   1           HH       TRP   1  14.867 -18.082   3.065
   13    H    VAL   2           H        VAL   2   5.829 -19.310   3.583
   14    HA   VAL   2           HA       VAL   2   4.393 -16.738   3.469
   15    HB   VAL   2           HB       VAL   2   4.651 -17.753   1.268
   16   1HG1  VAL   2          1HG1      VAL   2   2.973 -19.956   1.252
   17   2HG1  VAL   2          2HG1      VAL   2   3.948 -20.165   2.706
   18   3HG1  VAL   2          3HG1      VAL   2   4.733 -19.973   1.139
   19   1HG2  VAL   2          1HG2      VAL   2   1.804 -18.010   2.225
   20   2HG2  VAL   2          2HG2      VAL   2   2.341 -17.715   0.574
   21   3HG2  VAL   2          3HG2      VAL   2   2.597 -16.488   1.811
   22    H    GLN   3           H        GLN   3   2.107 -16.780   3.984
   23    HA   GLN   3           HA       GLN   3   1.430 -18.936   5.875
   24   1HB   GLN   3          2HB       GLN   3   0.958 -15.976   6.000
   25   2HB   GLN   3          1HB       GLN   3  -0.084 -17.081   6.879
   26   1HG   GLN   3          2HG       GLN   3   2.196 -18.027   7.764
   27   2HG   GLN   3          1HG       GLN   3   2.781 -16.425   7.315
   28   1HE2  GLN   3          1HE2      GLN   3   1.475 -18.224   9.753
   29   2HE2  GLN   3          2HE2      GLN   3   0.865 -16.952  10.750
   30    HA   PRO   4           HA       PRO   4  -2.066 -19.670   3.251
   31   1HB   PRO   4          2HB       PRO   4  -3.548 -21.205   4.901
   32   2HB   PRO   4          1HB       PRO   4  -2.053 -21.790   4.163
   33   1HG   PRO   4          2HG       PRO   4  -2.514 -20.732   6.925
   34   2HG   PRO   4          1HG       PRO   4  -1.561 -22.136   6.409
   35   1HD   PRO   4          2HD       PRO   4  -0.457 -19.719   7.018
   36   2HD   PRO   4          1HD       PRO   4   0.259 -20.849   5.852
   37    H    ILE   5           H        ILE   5  -3.653 -18.295   2.775
   38    HA   ILE   5           HA       ILE   5  -4.707 -16.453   4.669
   39    HB   ILE   5           HB       ILE   5  -4.490 -15.894   2.285
   40   1HG1  ILE   5          2HG1      ILE   5  -7.287 -15.481   2.248
   41   2HG1  ILE   5          1HG1      ILE   5  -6.802 -15.450   3.941
   42   1HG2  ILE   5          1HG2      ILE   5  -6.847 -17.687   1.767
   43   2HG2  ILE   5          2HG2      ILE   5  -5.178 -18.194   1.504
   44   3HG2  ILE   5          3HG2      ILE   5  -5.842 -16.837   0.594
   45   1HD1  ILE   5          1HD1      ILE   5  -6.737 -13.322   2.283
   46   2HD1  ILE   5          2HD1      ILE   5  -5.080 -13.909   2.140
   47   3HD1  ILE   5          3HD1      ILE   5  -5.735 -13.496   3.724
   48    H    THR   6           H        THR   6  -6.212 -16.854   6.141
   49    HA   THR   6           HA       THR   6  -8.084 -19.070   5.699
   50    HB   THR   6           HB       THR   6  -7.677 -17.619   8.304
   51    HG1  THR   6           1HG      THR   6  -6.103 -19.165   8.793
   52   1HG2  THR   6          1HG2      THR   6  -8.171 -20.529   8.107
   53   2HG2  THR   6          2HG2      THR   6  -9.517 -19.438   7.771
   54   3HG2  THR   6          3HG2      THR   6  -8.689 -19.366   9.326
   55    H    ALA   7           H        ALA   7  -9.915 -18.425   4.770
   56    HA   ALA   7           HA       ALA   7 -11.861 -17.314   4.376
   57   1HB   ALA   7          1HB       ALA   7 -11.705 -17.533   7.072
   58   2HB   ALA   7          2HB       ALA   7 -13.083 -16.855   6.205
   59   3HB   ALA   7          3HB       ALA   7 -11.856 -15.786   6.885
   60    H    GLN   8           H        GLN   8 -12.717 -15.265   3.750
   61    HA   GLN   8           HA       GLN   8 -10.750 -13.458   2.812
   62   1HB   GLN   8          2HB       GLN   8 -13.761 -13.314   2.924
   63   2HB   GLN   8          1HB       GLN   8 -12.779 -12.033   2.224
   64   1HG   GLN   8          2HG       GLN   8 -13.207 -13.202   0.341
   65   2HG   GLN   8          1HG       GLN   8 -11.770 -14.076   0.867
   66   1HE2  GLN   8          1HE2      GLN   8 -14.171 -14.858  -0.736
   67   2HE2  GLN   8          2HE2      GLN   8 -14.767 -16.285   0.035
   68    H    LYS   9           H        LYS   9  -9.589 -12.675   4.569
   69    HA   LYS   9           HA       LYS   9 -10.932 -10.538   6.037
   70   1HB   LYS   9          2HB       LYS   9  -9.662 -12.949   7.247
   71   2HB   LYS   9          1HB       LYS   9  -9.456 -11.407   8.065
   72   1HG   LYS   9          2HG       LYS   9 -12.071 -11.281   7.741
   73   2HG   LYS   9          1HG       LYS   9 -11.905 -13.037   7.672
   74   1HD   LYS   9          2HD       LYS   9 -10.765 -11.336   9.884
   75   2HD   LYS   9          1HD       LYS   9 -12.356 -12.094   9.957
   76   1HE   LYS   9          2HE       LYS   9 -10.858 -14.217   9.260
   77   2HE   LYS   9          1HE       LYS   9  -9.667 -13.291  10.174
   78   1HZ   LYS   9          1HZ       LYS   9 -11.228 -14.978  11.365
   79   2HZ   LYS   9          2HZ       LYS   9 -12.337 -13.703  11.324
   80   3HZ   LYS   9          3HZ       LYS   9 -10.850 -13.504  12.104
   81    HA   PRO  10           HA       PRO  10  -7.204  -8.303   5.344
   82   1HB   PRO  10          2HB       PRO  10  -6.944  -6.805   7.582
   83   2HB   PRO  10          1HB       PRO  10  -8.209  -6.513   6.383
   84   1HG   PRO  10          2HG       PRO  10  -8.374  -7.971   8.993
   85   2HG   PRO  10          1HG       PRO  10  -9.506  -6.800   8.293
   86   1HD   PRO  10          2HD       PRO  10  -9.915  -9.477   8.184
   87   2HD   PRO  10          1HD       PRO  10 -10.476  -8.371   6.916
   88    H    SER  11           H        SER  11  -6.369 -10.773   5.868
   89    HA   SER  11           HA       SER  11  -3.965 -10.328   7.412
   90   1HB   SER  11          2HB       SER  11  -6.190 -11.748   8.545
   91   2HB   SER  11          1HB       SER  11  -4.831 -12.852   8.327
   92    HG   SER  11           HG       SER  11  -4.573 -10.310   9.548
   93    H    LEU  12           H        LEU  12  -2.344 -11.099   6.285
   94    HA   LEU  12           HA       LEU  12  -2.203 -13.717   5.251
   95   1HB   LEU  12          2HB       LEU  12  -2.290 -13.394   2.907
   96   2HB   LEU  12          1HB       LEU  12  -3.746 -12.670   3.559
   97    HG   LEU  12           HG       LEU  12  -2.888 -11.243   1.829
   98   1HD1  LEU  12          1HD1      LEU  12  -1.939  -9.668   4.101
   99   2HD1  LEU  12          2HD1      LEU  12  -3.537 -10.384   4.302
  100   3HD1  LEU  12          3HD1      LEU  12  -3.212  -9.324   2.935
  101   1HD2  LEU  12          1HD2      LEU  12  -0.449 -12.171   2.433
  102   2HD2  LEU  12          2HD2      LEU  12  -0.379 -10.583   3.193
  103   3HD2  LEU  12          3HD2      LEU  12  -0.745 -10.720   1.475
  104    H    THR  13           H        THR  13  -0.097 -14.170   4.307
  105    HA   THR  13           HA       THR  13   1.821 -11.983   4.795
  106    HB   THR  13           HB       THR  13   2.340 -14.924   5.237
  107    HG1  THR  13           1HG      THR  13   0.871 -14.111   6.775
  108   1HG2  THR  13          1HG2      THR  13   4.374 -13.714   4.797
  109   2HG2  THR  13          2HG2      THR  13   4.285 -14.140   6.506
  110   3HG2  THR  13          3HG2      THR  13   3.938 -12.490   5.990
  111    H    LEU  14           H        LEU  14   2.670 -11.316   2.983
  112    HA   LEU  14           HA       LEU  14   3.715 -13.249   1.047
  113   1HB   LEU  14          2HB       LEU  14   2.335 -10.726   0.157
  114   2HB   LEU  14          1HB       LEU  14   2.958 -12.003  -0.850
  115    HG   LEU  14           HG       LEU  14   0.442 -11.933   0.764
  116   1HD1  LEU  14          1HD1      LEU  14   1.143 -12.434  -2.102
  117   2HD1  LEU  14          2HD1      LEU  14   0.111 -11.177  -1.424
  118   3HD1  LEU  14          3HD1      LEU  14  -0.434 -12.852  -1.435
  119   1HD2  LEU  14          1HD2      LEU  14   2.117 -14.245   0.398
  120   2HD2  LEU  14          2HD2      LEU  14   0.541 -14.454  -0.361
  121   3HD2  LEU  14          3HD2      LEU  14   0.646 -14.046   1.352
  122    H    TRP  15           H        TRP  15   5.193 -11.943  -0.565
  123    HA   TRP  15           HA       TRP  15   6.804 -10.242   1.163
  124   1HB   TRP  15          2HB       TRP  15   8.653 -10.985   0.117
  125   2HB   TRP  15          1HB       TRP  15   7.598 -12.318  -0.286
  126    HD1  TRP  15           HD       TRP  15   6.228 -10.334  -2.779
  127    HE1  TRP  15           1HE      TRP  15   7.598 -10.324  -4.956
  128    HE3  TRP  15           3HE      TRP  15  10.708 -12.050  -0.990
  129    HZ2  TRP  15           2HZ      TRP  15  10.189 -10.948  -5.820
  130    HZ3  TRP  15           3HZ      TRP  15  12.570 -12.317  -2.567
  131    HH2  TRP  15           HH       TRP  15  12.318 -11.782  -4.929
  132    H    LEU  16           H        LEU  16   7.544  -8.261   0.637
  133    HA   LEU  16           HA       LEU  16   6.322  -6.958  -1.688
  134   1HB   LEU  16          2HB       LEU  16   5.722  -5.015  -0.343
  135   2HB   LEU  16          1HB       LEU  16   4.908  -6.460   0.225
  136    HG   LEU  16           HG       LEU  16   7.140  -6.433   1.808
  137   1HD1  LEU  16          1HD1      LEU  16   6.234  -3.579   1.751
  138   2HD1  LEU  16          2HD1      LEU  16   7.594  -4.134   0.775
  139   3HD1  LEU  16          3HD1      LEU  16   7.652  -4.281   2.531
  140   1HD2  LEU  16          1HD2      LEU  16   5.650  -5.751   3.579
  141   2HD2  LEU  16          2HD2      LEU  16   4.791  -6.817   2.468
  142   3HD2  LEU  16          3HD2      LEU  16   4.516  -5.076   2.409
  143    H    ASP  17           H        ASP  17   7.536  -5.386  -2.658
  144    HA   ASP  17           HA       ASP  17   9.365  -4.172  -3.238
  145   1HB   ASP  17          2HB       ASP  17   9.794  -4.293  -0.257
  146   2HB   ASP  17          1HB       ASP  17  10.959  -3.516  -1.323
  147    H    ASP  18           H        ASP  18  10.611  -6.338  -0.689
  148    HA   ASP  18           HA       ASP  18  11.835  -8.143  -2.474
  149   1HB   ASP  18          2HB       ASP  18  13.370  -5.738  -1.781
  150   2HB   ASP  18          1HB       ASP  18  14.229  -7.243  -1.465
  151    H    LYS  19           H        LYS  19  10.288  -8.195  -0.054
  152    HA   LYS  19           HA       LYS  19  11.708 -10.187   1.357
  153   1HB   LYS  19          2HB       LYS  19  12.407  -7.668   2.170
  154   2HB   LYS  19          1HB       LYS  19  11.121  -8.076   3.302
  155   1HG   LYS  19          2HG       LYS  19  12.284 -10.146   3.865
  156   2HG   LYS  19          1HG       LYS  19  13.580  -9.704   2.750
  157   1HD   LYS  19          2HD       LYS  19  14.086  -7.732   4.075
  158   2HD   LYS  19          1HD       LYS  19  12.738  -8.088   5.156
  159   1HE   LYS  19          2HE       LYS  19  14.284 -10.421   5.081
  160   2HE   LYS  19          1HE       LYS  19  15.436  -9.093   5.197
  161   1HZ   LYS  19          1HZ       LYS  19  13.596  -8.373   7.005
  162   2HZ   LYS  19          2HZ       LYS  19  14.995  -9.250   7.374
  163   3HZ   LYS  19          3HZ       LYS  19  13.528 -10.058   7.144
  164    H    MET  20           H        MET  20  10.417 -11.360   2.760
  165    HA   MET  20           HA       MET  20   7.634 -11.227   2.289
  166   1HB   MET  20          2HB       MET  20   9.477 -13.029   3.549
  167   2HB   MET  20          1HB       MET  20   8.074 -12.801   4.581
  168   1HG   MET  20          2HG       MET  20   7.112 -14.382   3.355
  169   2HG   MET  20          1HG       MET  20   6.937 -13.141   2.118
  170   1HE   MET  20          1HE       MET  20   6.829 -14.024   0.252
  171   2HE   MET  20          2HE       MET  20   7.483 -15.587  -0.243
  172   3HE   MET  20          3HE       MET  20   8.322 -14.099  -0.689
  173    H    PHE  21           H        PHE  21   5.934 -10.794   3.709
  174    HA   PHE  21           HA       PHE  21   6.286  -9.778   6.336
  175   1HB   PHE  21          2HB       PHE  21   7.074  -7.879   4.734
  176   2HB   PHE  21          1HB       PHE  21   5.358  -7.673   4.399
  177    HD1  PHE  21           1HD      PHE  21   4.215  -6.133   5.648
  178    HD2  PHE  21           2HD      PHE  21   7.640  -8.013   7.334
  179    HE1  PHE  21           1HE      PHE  21   3.988  -4.735   7.660
  180    HE2  PHE  21           2HE      PHE  21   7.419  -6.618   9.349
  181    HZ   PHE  21           HZ       PHE  21   5.590  -4.978   9.514
  182    H    THR  22           H        THR  22   4.121  -8.656   7.050
  183    HA   THR  22           HA       THR  22   1.973 -10.365   6.031
  184    HB   THR  22           HB       THR  22   1.674  -8.628   8.449
  185    HG1  THR  22           1HG      THR  22   2.647 -10.315   9.670
  186   1HG2  THR  22          1HG2      THR  22   0.525 -11.185   7.472
  187   2HG2  THR  22          2HG2      THR  22  -0.270  -9.793   8.208
  188   3HG2  THR  22          3HG2      THR  22   0.650 -10.917   9.210
  189    H    GLY  23           H        GLY  23  -0.272  -9.338   6.178
  190   1HA   GLY  23          2HA       GLY  23  -0.577  -6.544   5.772
  191   2HA   GLY  23          1HA       GLY  23  -0.541  -7.383   4.229
  192    H    LEU  24           H        LEU  24  -2.785  -6.423   4.146
  193    HA   LEU  24           HA       LEU  24  -4.657  -8.394   5.235
  194   1HB   LEU  24          2HB       LEU  24  -6.270  -6.344   5.420
  195   2HB   LEU  24          1HB       LEU  24  -5.171  -6.746   6.722
  196    HG   LEU  24           HG       LEU  24  -5.311  -4.323   6.248
  197   1HD1  LEU  24          1HD1      LEU  24  -3.140  -5.777   6.931
  198   2HD1  LEU  24          2HD1      LEU  24  -3.188  -4.015   6.892
  199   3HD1  LEU  24          3HD1      LEU  24  -2.532  -4.910   5.521
  200   1HD2  LEU  24          1HD2      LEU  24  -5.566  -4.659   3.755
  201   2HD2  LEU  24          2HD2      LEU  24  -3.822  -4.903   3.704
  202   3HD2  LEU  24          3HD2      LEU  24  -4.480  -3.367   4.261
  203    H    ILE  25           H        ILE  25  -6.220  -9.054   3.856
  204    HA   ILE  25           HA       ILE  25  -6.203  -7.825   1.183
  205    HB   ILE  25           HB       ILE  25  -7.239 -10.565   1.912
  206   1HG1  ILE  25          2HG1      ILE  25  -4.868 -10.538   2.360
  207   2HG1  ILE  25          1HG1      ILE  25  -5.127 -11.379   0.836
  208   1HG2  ILE  25          1HG2      ILE  25  -7.516 -10.955  -0.346
  209   2HG2  ILE  25          2HG2      ILE  25  -6.384  -9.685  -0.812
  210   3HG2  ILE  25          3HG2      ILE  25  -7.987  -9.262  -0.210
  211   1HD1  ILE  25          1HD1      ILE  25  -4.624  -9.144  -0.281
  212   2HD1  ILE  25          2HD1      ILE  25  -3.278 -10.009   0.458
  213   3HD1  ILE  25          3HD1      ILE  25  -4.009  -8.640   1.291
  214    H    ASN  26           H        ASN  26  -7.956  -6.866   0.401
  215    HA   ASN  26           HA       ASN  26 -10.425  -6.996   1.978
  216   1HB   ASN  26          2HB       ASN  26 -10.055  -5.025  -0.235
  217   2HB   ASN  26          1HB       ASN  26 -10.943  -4.855   1.274
  218   1HD2  ASN  26          1HD2      ASN  26 -10.007  -3.826   2.912
  219   2HD2  ASN  26          2HD2      ASN  26  -8.353  -3.331   2.966
  220    H    THR  27           H        THR  27 -12.311  -7.692   1.101
  221    HA   THR  27           HA       THR  27 -12.111  -9.105  -1.426
  222    HB   THR  27           HB       THR  27 -13.111 -10.163   0.572
  223    HG1  THR  27           1HG      THR  27 -13.753 -10.662  -1.669
  224   1HG2  THR  27          1HG2      THR  27 -14.688  -7.781   0.651
  225   2HG2  THR  27          2HG2      THR  27 -14.584  -9.096   1.822
  226   3HG2  THR  27          3HG2      THR  27 -15.733  -9.192   0.488
  227    H    GLY  28           H        GLY  28 -12.614  -6.009  -0.808
  228   1HA   GLY  28          2HA       GLY  28 -14.214  -5.639  -3.201
  229   2HA   GLY  28          1HA       GLY  28 -14.929  -5.024  -1.717
  230    H    ALA  29           H        ALA  29 -11.759  -4.963  -3.346
  231    HA   ALA  29           HA       ALA  29 -11.300  -2.263  -2.357
  232   1HB   ALA  29          1HB       ALA  29  -9.183  -3.003  -4.035
  233   2HB   ALA  29          2HB       ALA  29  -9.653  -4.471  -3.174
  234   3HB   ALA  29          3HB       ALA  29  -9.218  -3.023  -2.269
  235    H    ASP  30           H        ASP  30 -11.004  -0.472  -3.665
  236    HA   ASP  30           HA       ASP  30 -11.825  -0.763  -6.480
  237   1HB   ASP  30          2HB       ASP  30 -12.890   1.441  -6.327
  238   2HB   ASP  30          1HB       ASP  30 -13.587   0.333  -5.150
  239    H    VAL  31           H        VAL  31  -9.968   1.100  -4.136
  240    HA   VAL  31           HA       VAL  31  -7.962   1.636  -6.193
  241    HB   VAL  31           HB       VAL  31  -7.861   3.947  -4.678
  242   1HG1  VAL  31          1HG1      VAL  31  -7.508   3.677  -7.103
  243   2HG1  VAL  31          2HG1      VAL  31  -8.518   5.068  -6.706
  244   3HG1  VAL  31          3HG1      VAL  31  -9.256   3.589  -7.323
  245   1HG2  VAL  31          1HG2      VAL  31  -9.990   4.884  -4.451
  246   2HG2  VAL  31          2HG2      VAL  31 -10.188   3.235  -3.854
  247   3HG2  VAL  31          3HG2      VAL  31 -10.741   3.659  -5.474
  248    H    THR  32           H        THR  32  -6.135   0.826  -5.459
  249    HA   THR  32           HA       THR  32  -5.627  -0.096  -2.915
  250    HB   THR  32           HB       THR  32  -3.476   0.894  -4.715
  251    HG1  THR  32           1HG      THR  32  -3.686  -1.207  -5.731
  252   1HG2  THR  32          1HG2      THR  32  -3.318  -0.489  -2.371
  253   2HG2  THR  32          2HG2      THR  32  -2.077  -0.434  -3.623
  254   3HG2  THR  32          3HG2      THR  32  -3.235  -1.762  -3.588
  255    H    ILE  33           H        ILE  33  -5.649   1.058  -1.088
  256    HA   ILE  33           HA       ILE  33  -4.132   3.588  -1.048
  257    HB   ILE  33           HB       ILE  33  -6.236   3.190   1.003
  258   1HG1  ILE  33          2HG1      ILE  33  -7.346   2.569  -1.145
  259   2HG1  ILE  33          1HG1      ILE  33  -8.026   4.001  -0.385
  260   1HG2  ILE  33          1HG2      ILE  33  -4.887   5.128   1.181
  261   2HG2  ILE  33          2HG2      ILE  33  -6.480   5.650   0.634
  262   3HG2  ILE  33          3HG2      ILE  33  -5.147   5.540  -0.514
  263   1HD1  ILE  33          1HD1      ILE  33  -6.678   5.393  -1.928
  264   2HD1  ILE  33          2HD1      ILE  33  -7.866   4.374  -2.738
  265   3HD1  ILE  33          3HD1      ILE  33  -6.164   3.917  -2.744
  266    H    ILE  34           H        ILE  34  -2.412   3.523   0.221
  267    HA   ILE  34           HA       ILE  34  -2.416   1.680   2.517
  268    HB   ILE  34           HB       ILE  34  -0.743   1.408   0.416
  269   1HG1  ILE  34          2HG1      ILE  34   0.872   0.384   2.224
  270   2HG1  ILE  34          1HG1      ILE  34  -0.440   0.784   3.326
  271   1HG2  ILE  34          1HG2      ILE  34   0.398   3.465   0.586
  272   2HG2  ILE  34          2HG2      ILE  34   1.506   2.229   1.170
  273   3HG2  ILE  34          3HG2      ILE  34   0.656   3.265   2.318
  274   1HD1  ILE  34          1HD1      ILE  34  -1.758  -0.497   1.311
  275   2HD1  ILE  34          2HD1      ILE  34  -1.214  -1.242   2.814
  276   3HD1  ILE  34          3HD1      ILE  34  -0.220  -1.360   1.361
  277    H    LYS  35           H        LYS  35  -2.159   2.640   4.428
  278    HA   LYS  35           HA       LYS  35  -2.193   5.402   4.697
  279   1HB   LYS  35          2HB       LYS  35  -1.729   4.972   7.112
  280   2HB   LYS  35          1HB       LYS  35  -3.034   3.998   6.460
  281   1HG   LYS  35          2HG       LYS  35  -0.256   2.914   6.608
  282   2HG   LYS  35          1HG       LYS  35  -1.323   2.899   8.005
  283   1HD   LYS  35          2HD       LYS  35  -2.973   1.867   6.153
  284   2HD   LYS  35          1HD       LYS  35  -1.418   1.295   5.545
  285   1HE   LYS  35          2HE       LYS  35  -1.815   0.992   8.441
  286   2HE   LYS  35          1HE       LYS  35  -2.890   0.024   7.435
  287   1HZ   LYS  35          1HZ       LYS  35  -0.135  -0.364   7.997
  288   2HZ   LYS  35          2HZ       LYS  35  -0.382  -0.257   6.327
  289   3HZ   LYS  35          3HZ       LYS  35  -1.227  -1.408   7.234
  290    H    LEU  36           H        LEU  36  -0.655   6.789   5.800
  291    HA   LEU  36           HA       LEU  36   1.817   6.812   4.464
  292   1HB   LEU  36          2HB       LEU  36   0.325   8.544   6.111
  293   2HB   LEU  36          1HB       LEU  36   1.921   8.422   6.823
  294    HG   LEU  36           HG       LEU  36   1.120   9.490   4.145
  295   1HD1  LEU  36          1HD1      LEU  36   2.666  10.477   6.508
  296   2HD1  LEU  36          2HD1      LEU  36   1.276  11.203   5.706
  297   3HD1  LEU  36          3HD1      LEU  36   2.855  11.227   4.922
  298   1HD2  LEU  36          1HD2      LEU  36   3.842   9.583   4.069
  299   2HD2  LEU  36          2HD2      LEU  36   2.842   8.412   3.209
  300   3HD2  LEU  36          3HD2      LEU  36   3.546   7.991   4.768
  301    H    GLU  37           H        GLU  37   0.862   5.517   7.535
  302    HA   GLU  37           HA       GLU  37   3.296   5.395   8.862
  303   1HB   GLU  37          2HB       GLU  37   0.961   3.486   8.906
  304   2HB   GLU  37          1HB       GLU  37   2.323   3.375  10.012
  305   1HG   GLU  37          2HG       GLU  37   1.771   5.351  11.094
  306   2HG   GLU  37          1HG       GLU  37   0.767   5.912   9.759
  307    H    ASP  38           H        ASP  38   2.486   3.866   5.945
  308    HA   ASP  38           HA       ASP  38   4.697   1.944   6.300
  309   1HB   ASP  38          2HB       ASP  38   2.003   1.509   5.441
  310   2HB   ASP  38          1HB       ASP  38   3.084   1.162   4.095
  311    H    TRP  39           H        TRP  39   4.671   4.783   5.326
  312    HA   TRP  39           HA       TRP  39   5.651   4.339   2.589
  313   1HB   TRP  39          2HB       TRP  39   4.314   6.056   2.083
  314   2HB   TRP  39          1HB       TRP  39   3.981   6.364   3.781
  315    HD1  TRP  39           HD       TRP  39   5.829   7.735   0.837
  316    HE1  TRP  39           1HE      TRP  39   7.074   9.879   1.506
  317    HE3  TRP  39           3HE      TRP  39   5.304   7.429   5.912
  318    HZ2  TRP  39           2HZ      TRP  39   7.734  11.273   3.878
  319    HZ3  TRP  39           3HZ      TRP  39   6.268   9.210   7.308
  320    HH2  TRP  39           HH       TRP  39   7.458  11.091   6.309
  321    HA   PRO  40           HA       PRO  40   9.854   5.220   3.599
  322   1HB   PRO  40          2HB       PRO  40   9.903   7.175   1.375
  323   2HB   PRO  40          1HB       PRO  40  10.899   5.741   1.635
  324   1HG   PRO  40          2HG       PRO  40   8.964   5.798  -0.216
  325   2HG   PRO  40          1HG       PRO  40   9.348   4.335   0.699
  326   1HD   PRO  40          2HD       PRO  40   7.055   6.202   0.996
  327   2HD   PRO  40          1HD       PRO  40   7.116   4.447   1.230
  328    HA   PRO  41           HA       PRO  41   9.150   9.069   5.920
  329   1HB   PRO  41          2HB       PRO  41  11.226   8.705   7.643
  330   2HB   PRO  41          1HB       PRO  41   9.644   7.949   7.855
  331   1HG   PRO  41          2HG       PRO  41  12.157   6.794   6.712
  332   2HG   PRO  41          1HG       PRO  41  10.993   6.056   7.827
  333   1HD   PRO  41          2HD       PRO  41  11.013   5.497   5.185
  334   2HD   PRO  41          1HD       PRO  41   9.513   5.531   6.136
  335    H    ASN  42           H        ASN  42  11.731   8.031   3.974
  336    HA   ASN  42           HA       ASN  42  13.650  10.019   4.389
  337   1HB   ASN  42          2HB       ASN  42  13.695   7.841   2.936
  338   2HB   ASN  42          1HB       ASN  42  13.117   8.907   1.661
  339   1HD2  ASN  42          1HD2      ASN  42  15.668   8.585   4.084
  340   2HD2  ASN  42          2HD2      ASN  42  16.900   9.352   3.148
  341    H    TRP  43           H        TRP  43  10.781   9.972   2.304
  342    HA   TRP  43           HA       TRP  43  11.055  12.885   2.017
  343   1HB   TRP  43          2HB       TRP  43  10.606  12.824  -0.340
  344   2HB   TRP  43          1HB       TRP  43  11.940  11.717  -0.027
  345    HD1  TRP  43           HD       TRP  43   8.103  11.561  -0.567
  346    HE1  TRP  43           1HE      TRP  43   7.554   9.334  -1.732
  347    HE3  TRP  43           3HE      TRP  43  12.785   9.504  -0.658
  348    HZ2  TRP  43           2HZ      TRP  43   8.910   7.024  -2.579
  349    HZ3  TRP  43           3HZ      TRP  43  13.068   7.276  -1.667
  350    HH2  TRP  43           HH       TRP  43  11.165   6.068  -2.607
  351    HA   PRO  44           HA       PRO  44   6.743  12.802   3.120
  352   1HB   PRO  44          2HB       PRO  44   6.034  15.287   2.285
  353   2HB   PRO  44          1HB       PRO  44   6.991  15.004   3.744
  354   1HG   PRO  44          2HG       PRO  44   7.904  15.802   1.005
  355   2HG   PRO  44          1HG       PRO  44   8.419  16.429   2.581
  356   1HD   PRO  44          2HD       PRO  44   9.877  14.622   1.196
  357   2HD   PRO  44          1HD       PRO  44   9.832  14.648   2.971
  358    H    ILE  45           H        ILE  45   4.674  12.587   2.154
  359    HA   ILE  45           HA       ILE  45   4.663  12.654  -0.790
  360    HB   ILE  45           HB       ILE  45   3.112  10.702  -0.642
  361   1HG1  ILE  45          2HG1      ILE  45   3.676   9.194   1.363
  362   2HG1  ILE  45          1HG1      ILE  45   4.341  10.631   2.123
  363   1HG2  ILE  45          1HG2      ILE  45   6.058  10.639  -0.158
  364   2HG2  ILE  45          2HG2      ILE  45   5.161  10.273  -1.631
  365   3HG2  ILE  45          3HG2      ILE  45   5.160   9.128  -0.291
  366   1HD1  ILE  45          1HD1      ILE  45   1.779   9.760   2.368
  367   2HD1  ILE  45          2HD1      ILE  45   1.627  10.983   1.111
  368   3HD1  ILE  45          3HD1      ILE  45   2.328  11.407   2.674
  369    H    THR  46           H        THR  46   2.991  13.541  -1.736
  370    HA   THR  46           HA       THR  46   0.505  13.984  -0.244
  371    HB   THR  46           HB       THR  46   2.137  15.797   0.041
  372    HG1  THR  46           1HG      THR  46  -0.091  16.835  -1.314
  373   1HG2  THR  46          1HG2      THR  46   1.489  17.019  -2.532
  374   2HG2  THR  46          2HG2      THR  46   2.603  15.650  -2.605
  375   3HG2  THR  46          3HG2      THR  46   2.986  17.049  -1.599
  376    H    ASP  47           H        ASP  47  -1.421  13.919  -1.479
  377    HA   ASP  47           HA       ASP  47  -1.058  14.405  -4.367
  378   1HB   ASP  47          2HB       ASP  47  -1.333  11.871  -3.587
  379   2HB   ASP  47          1HB       ASP  47  -3.028  12.287  -3.800
  380    H    THR  48           H        THR  48  -3.421  14.255  -5.480
  381    HA   THR  48           HA       THR  48  -5.120  16.093  -3.924
  382    HB   THR  48           HB       THR  48  -4.138  17.260  -5.794
  383    HG1  THR  48           1HG      THR  48  -6.460  17.487  -5.328
  384   1HG2  THR  48          1HG2      THR  48  -3.568  16.198  -7.644
  385   2HG2  THR  48          2HG2      THR  48  -5.279  16.125  -8.069
  386   3HG2  THR  48          3HG2      THR  48  -4.530  14.789  -7.195
  387    H    LEU  49           H        LEU  49  -6.890  15.069  -3.223
  388    HA   LEU  49           HA       LEU  49  -8.157  13.132  -5.057
  389   1HB   LEU  49          2HB       LEU  49  -7.112  12.175  -3.005
  390   2HB   LEU  49          1HB       LEU  49  -8.222  13.115  -2.047
  391    HG   LEU  49           HG       LEU  49 -10.106  11.846  -2.872
  392   1HD1  LEU  49          1HD1      LEU  49  -9.195   9.735  -4.315
  393   2HD1  LEU  49          2HD1      LEU  49  -8.165  11.035  -4.916
  394   3HD1  LEU  49          3HD1      LEU  49  -9.919  11.184  -5.011
  395   1HD2  LEU  49          1HD2      LEU  49  -9.178   9.459  -2.280
  396   2HD2  LEU  49          2HD2      LEU  49  -9.309  10.714  -1.049
  397   3HD2  LEU  49          3HD2      LEU  49  -7.750  10.377  -1.800
  398    H    THR  50           H        THR  50 -10.613  12.832  -4.297
  399    HA   THR  50           HA       THR  50 -11.718  15.552  -4.126
  400    HB   THR  50           HB       THR  50 -12.132  14.483  -6.275
  401    HG1  THR  50           1HG      THR  50 -14.196  15.055  -6.339
  402   1HG2  THR  50          1HG2      THR  50 -13.560  12.350  -4.708
  403   2HG2  THR  50          2HG2      THR  50 -12.097  12.148  -5.672
  404   3HG2  THR  50          3HG2      THR  50 -13.622  12.552  -6.459
  405    H    ASN  51           H        ASN  51 -13.207  16.060  -2.670
  406    HA   ASN  51           HA       ASN  51 -14.441  13.960  -1.039
  407   1HB   ASN  51          2HB       ASN  51 -12.463  15.228   0.096
  408   2HB   ASN  51          1HB       ASN  51 -13.582  16.585   0.165
  409   1HD2  ASN  51          1HD2      ASN  51 -13.959  13.092   0.667
  410   2HD2  ASN  51          2HD2      ASN  51 -14.658  13.225   2.242
  411    H    LEU  52           H        LEU  52 -16.223  14.324  -2.502
  412    HA   LEU  52           HA       LEU  52 -17.406  16.959  -2.489
  413   1HB   LEU  52          2HB       LEU  52 -17.574  14.591  -4.139
  414   2HB   LEU  52          1HB       LEU  52 -19.163  15.198  -3.744
  415    HG   LEU  52           HG       LEU  52 -18.884  16.429  -5.608
  416   1HD1  LEU  52          1HD1      LEU  52 -18.738  18.020  -3.663
  417   2HD1  LEU  52          2HD1      LEU  52 -18.190  18.618  -5.228
  418   3HD1  LEU  52          3HD1      LEU  52 -17.010  18.127  -4.009
  419   1HD2  LEU  52          1HD2      LEU  52 -16.337  17.186  -6.110
  420   2HD2  LEU  52          2HD2      LEU  52 -17.070  15.696  -6.709
  421   3HD2  LEU  52          3HD2      LEU  52 -16.071  15.666  -5.256
  422    H    ARG  53           H        ARG  53 -18.751  17.630  -1.019
  423    HA   ARG  53           HA       ARG  53 -20.135  15.728   0.680
  424   1HB   ARG  53          2HB       ARG  53 -19.737  18.694   0.795
  425   2HB   ARG  53          1HB       ARG  53 -20.923  17.905   1.816
  426   1HG   ARG  53          2HG       ARG  53 -18.135  16.868   1.791
  427   2HG   ARG  53          1HG       ARG  53 -18.481  18.366   2.657
  428   1HD   ARG  53          2HD       ARG  53 -18.828  16.822   4.317
  429   2HD   ARG  53          1HD       ARG  53 -20.456  16.968   3.658
  430    HE   ARG  53           HE       ARG  53 -18.862  14.880   2.465
  431   1HH1  ARG  53          1HH1      ARG  53 -21.092  15.706   5.023
  432   2HH1  ARG  53          2HH1      ARG  53 -21.630  14.076   5.250
  433   1HH2  ARG  53          1HH2      ARG  53 -19.570  12.736   2.763
  434   2HH2  ARG  53          2HH2      ARG  53 -20.766  12.390   3.968
  435    H    GLY  54           H        GLY  54 -20.780  16.562  -2.269
  436   1HA   GLY  54          2HA       GLY  54 -22.743  16.484  -3.501
  437   2HA   GLY  54          1HA       GLY  54 -23.630  16.300  -1.997
  438    H    ILE  55           H        ILE  55 -23.250  18.358  -0.600
  439    HA   ILE  55           HA       ILE  55 -24.074  20.656  -2.218
  440    HB   ILE  55           HB       ILE  55 -24.976  21.531  -0.001
  441   1HG1  ILE  55          2HG1      ILE  55 -24.439  18.655   0.748
  442   2HG1  ILE  55          1HG1      ILE  55 -23.836  20.096   1.548
  443   1HG2  ILE  55          1HG2      ILE  55 -26.457  20.744  -1.729
  444   2HG2  ILE  55          2HG2      ILE  55 -27.045  20.181  -0.166
  445   3HG2  ILE  55          3HG2      ILE  55 -26.197  19.070  -1.242
  446   1HD1  ILE  55          1HD1      ILE  55 -26.478  18.783   1.712
  447   2HD1  ILE  55          2HD1      ILE  55 -26.421  20.538   1.873
  448   3HD1  ILE  55          3HD1      ILE  55 -25.496  19.519   2.977
  449    H    GLY  56           H        GLY  56 -21.697  19.306  -0.234
  450   1HA   GLY  56          2HA       GLY  56 -20.440  21.952   0.173
  451   2HA   GLY  56          1HA       GLY  56 -20.163  20.560   1.209
  452    H    GLN  57           H        GLN  57 -19.947  21.388  -2.250
  453    HA   GLN  57           HA       GLN  57 -18.222  19.535  -3.148
  454   1HB   GLN  57          2HB       GLN  57 -19.179  21.214  -4.603
  455   2HB   GLN  57          1HB       GLN  57 -18.222  22.470  -3.831
  456   1HG   GLN  57          2HG       GLN  57 -16.225  21.681  -4.776
  457   2HG   GLN  57          1HG       GLN  57 -16.957  20.147  -5.243
  458   1HE2  GLN  57          1HE2      GLN  57 -17.443  23.625  -5.758
  459   2HE2  GLN  57          2HE2      GLN  57 -17.787  23.500  -7.446
  460    H    SER  58           H        SER  58 -16.675  18.816  -1.715
  461    HA   SER  58           HA       SER  58 -14.513  20.719  -1.098
  462   1HB   SER  58          2HB       SER  58 -15.992  19.183   0.673
  463   2HB   SER  58          1HB       SER  58 -14.496  18.271   0.488
  464    HG   SER  58           HG       SER  58 -14.924  20.801   1.571
  465    H    ASN  59           H        ASN  59 -12.397  19.419  -0.621
  466    HA   ASN  59           HA       ASN  59 -11.977  17.458  -2.778
  467   1HB   ASN  59          2HB       ASN  59 -10.195  19.737  -1.916
  468   2HB   ASN  59          1HB       ASN  59  -9.648  18.420  -2.952
  469   1HD2  ASN  59          1HD2      ASN  59 -10.470  21.475  -3.101
  470   2HD2  ASN  59          2HD2      ASN  59 -11.255  21.548  -4.638
  471    H    ASN  60           H        ASN  60 -10.788  15.638  -2.266
  472    HA   ASN  60           HA       ASN  60 -10.388  15.118   0.523
  473   1HB   ASN  60          2HB       ASN  60 -10.413  13.533  -1.927
  474   2HB   ASN  60          1HB       ASN  60  -9.179  13.017  -0.785
  475   1HD2  ASN  60          1HD2      ASN  60  -9.757  11.715   0.793
  476   2HD2  ASN  60          2HD2      ASN  60 -11.379  11.393   1.292
  477    HA   PRO  61           HA       PRO  61  -6.205  16.261   1.084
  478   1HB   PRO  61          2HB       PRO  61  -5.389  14.459   2.921
  479   2HB   PRO  61          1HB       PRO  61  -6.559  15.734   3.285
  480   1HG   PRO  61          2HG       PRO  61  -7.055  12.857   2.591
  481   2HG   PRO  61          1HG       PRO  61  -7.767  13.827   3.896
  482   1HD   PRO  61          2HD       PRO  61  -9.072  13.376   1.571
  483   2HD   PRO  61          1HD       PRO  61  -9.230  14.906   2.466
  484    H    LYS  62           H        LYS  62  -4.363  16.034   0.072
  485    HA   LYS  62           HA       LYS  62  -3.666  14.391  -1.839
  486   1HB   LYS  62          2HB       LYS  62  -1.301  15.094  -0.310
  487   2HB   LYS  62          1HB       LYS  62  -1.842  15.778  -1.831
  488   1HG   LYS  62          2HG       LYS  62  -1.625  17.561  -0.330
  489   2HG   LYS  62          1HG       LYS  62  -3.355  17.273  -0.495
  490   1HD   LYS  62          2HD       LYS  62  -2.813  15.678   1.609
  491   2HD   LYS  62          1HD       LYS  62  -1.572  16.910   1.837
  492   1HE   LYS  62          2HE       LYS  62  -3.150  18.622   2.060
  493   2HE   LYS  62          1HE       LYS  62  -4.433  17.656   1.334
  494   1HZ   LYS  62          1HZ       LYS  62  -4.989  17.482   3.517
  495   2HZ   LYS  62          2HZ       LYS  62  -3.397  17.618   4.070
  496   3HZ   LYS  62          3HZ       LYS  62  -3.944  16.155   3.419
  497    H    GLN  63           H        GLN  63  -3.200  12.312  -2.049
  498    HA   GLN  63           HA       GLN  63  -2.063  10.875   0.255
  499   1HB   GLN  63          2HB       GLN  63  -4.381  10.313  -1.327
  500   2HB   GLN  63          1HB       GLN  63  -3.195   9.048  -1.599
  501   1HG   GLN  63          2HG       GLN  63  -3.846   8.080   0.266
  502   2HG   GLN  63          1HG       GLN  63  -3.246   9.464   1.163
  503   1HE2  GLN  63          1HE2      GLN  63  -5.497   7.762   1.770
  504   2HE2  GLN  63          2HE2      GLN  63  -6.890   8.782   1.820
  505    H    SER  64           H        SER  64  -0.054  10.206  -0.029
  506    HA   SER  64           HA       SER  64   1.688  10.601  -1.992
  507   1HB   SER  64          2HB       SER  64   2.056   9.252   0.153
  508   2HB   SER  64          1HB       SER  64   1.527   7.856  -0.760
  509    HG   SER  64           HG       SER  64   3.592   7.771  -1.203
  510    H    SER  65           H        SER  65   2.638   9.171  -3.635
  511    HA   SER  65           HA       SER  65   0.612   7.534  -5.025
  512   1HB   SER  65          2HB       SER  65   1.754   8.128  -7.138
  513   2HB   SER  65          1HB       SER  65   1.158   9.558  -6.295
  514    HG   SER  65           HG       SER  65   3.824   8.587  -6.209
  515    H    LYS  66           H        LYS  66   3.740   7.597  -3.595
  516    HA   LYS  66           HA       LYS  66   5.374   5.874  -4.806
  517   1HB   LYS  66          2HB       LYS  66   5.883   6.724  -2.605
  518   2HB   LYS  66          1HB       LYS  66   4.575   5.791  -1.893
  519   1HG   LYS  66          2HG       LYS  66   6.748   4.795  -1.432
  520   2HG   LYS  66          1HG       LYS  66   5.741   3.723  -2.406
  521   1HD   LYS  66          2HD       LYS  66   6.948   4.303  -4.398
  522   2HD   LYS  66          1HD       LYS  66   7.850   5.556  -3.541
  523   1HE   LYS  66          2HE       LYS  66   9.388   3.858  -3.530
  524   2HE   LYS  66          1HE       LYS  66   8.558   3.548  -2.006
  525   1HZ   LYS  66          1HZ       LYS  66   7.605   1.674  -2.797
  526   2HZ   LYS  66          2HZ       LYS  66   8.957   1.673  -3.813
  527   3HZ   LYS  66          3HZ       LYS  66   7.473   2.254  -4.381
  528    H    TYR  67           H        TYR  67   4.965   4.090  -5.952
  529    HA   TYR  67           HA       TYR  67   2.727   2.434  -5.333
  530   1HB   TYR  67          2HB       TYR  67   2.980   1.497  -7.408
  531   2HB   TYR  67          1HB       TYR  67   3.715   3.070  -7.655
  532    HD1  TYR  67           1HD      TYR  67   4.029   0.112  -8.917
  533    HD2  TYR  67           2HD      TYR  67   6.391   2.643  -6.448
  534    HE1  TYR  67           1HE      TYR  67   6.055  -0.994  -9.740
  535    HE2  TYR  67           2HE      TYR  67   8.433   1.541  -7.263
  536    HH   TYR  67           HH       TYR  67   8.619  -0.234  -9.948
  537    H    LEU  68           H        LEU  68   2.615   0.417  -4.605
  538    HA   LEU  68           HA       LEU  68   5.058  -0.643  -3.365
  539   1HB   LEU  68          2HB       LEU  68   2.552  -0.128  -2.276
  540   2HB   LEU  68          1HB       LEU  68   2.563  -1.865  -2.512
  541    HG   LEU  68           HG       LEU  68   4.481  -2.129  -1.106
  542   1HD1  LEU  68          1HD1      LEU  68   6.031  -0.548  -1.055
  543   2HD1  LEU  68          2HD1      LEU  68   4.970   0.399  -0.013
  544   3HD1  LEU  68          3HD1      LEU  68   4.928   0.632  -1.762
  545   1HD2  LEU  68          1HD2      LEU  68   3.637  -0.991   1.014
  546   2HD2  LEU  68          2HD2      LEU  68   2.524  -2.076   0.182
  547   3HD2  LEU  68          3HD2      LEU  68   2.350  -0.330   0.004
  548    H    THR  69           H        THR  69   5.477  -2.876  -3.466
  549    HA   THR  69           HA       THR  69   4.092  -4.255  -5.661
  550    HB   THR  69           HB       THR  69   6.288  -5.377  -6.116
  551    HG1  THR  69           1HG      THR  69   7.208  -3.410  -4.295
  552   1HG2  THR  69          1HG2      THR  69   5.935  -3.759  -7.682
  553   2HG2  THR  69          2HG2      THR  69   7.428  -3.180  -6.943
  554   3HG2  THR  69          3HG2      THR  69   5.882  -2.455  -6.495
  555    H    TRP  70           H        TRP  70   2.780  -5.583  -4.575
  556    HA   TRP  70           HA       TRP  70   3.852  -7.264  -2.436
  557   1HB   TRP  70          2HB       TRP  70   1.537  -5.886  -2.451
  558   2HB   TRP  70          1HB       TRP  70   0.978  -7.385  -3.184
  559    HD1  TRP  70           HD       TRP  70   3.539  -8.498  -0.900
  560    HE1  TRP  70           1HE      TRP  70   2.547  -9.220   1.370
  561    HE3  TRP  70           3HE      TRP  70  -1.110  -6.394  -1.296
  562    HZ2  TRP  70           2HZ      TRP  70   0.167  -8.928   2.792
  563    HZ3  TRP  70           3HZ      TRP  70  -2.685  -6.672   0.571
  564    HH2  TRP  70           HH       TRP  70  -2.051  -7.925   2.570
  565    H    ARG  71           H        ARG  71   4.303  -9.315  -2.839
  566    HA   ARG  71           HA       ARG  71   3.029 -10.699  -5.057
  567   1HB   ARG  71          2HB       ARG  71   5.873  -9.970  -4.837
  568   2HB   ARG  71          1HB       ARG  71   5.550 -11.624  -5.339
  569   1HG   ARG  71          2HG       ARG  71   5.585 -10.639  -7.378
  570   2HG   ARG  71          1HG       ARG  71   3.884 -10.379  -6.989
  571   1HD   ARG  71          2HD       ARG  71   5.055  -8.362  -7.875
  572   2HD   ARG  71          1HD       ARG  71   4.312  -8.136  -6.292
  573    HE   ARG  71           HE       ARG  71   6.397  -7.847  -5.376
  574   1HH1  ARG  71          1HH1      ARG  71   6.727  -9.093  -8.620
  575   2HH1  ARG  71          2HH1      ARG  71   8.439  -8.835  -8.679
  576   1HH2  ARG  71          1HH2      ARG  71   8.648  -7.509  -5.453
  577   2HH2  ARG  71          2HH2      ARG  71   9.529  -7.938  -6.881
  578    H    ASP  72           H        ASP  72   2.604 -12.812  -4.621
  579    HA   ASP  72           HA       ASP  72   3.100 -13.705  -1.935
  580   1HB   ASP  72          2HB       ASP  72   1.769 -15.667  -2.539
  581   2HB   ASP  72          1HB       ASP  72   0.951 -14.189  -3.031
  582    H    LYS  73           H        LYS  73   4.032 -15.787  -1.447
  583    HA   LYS  73           HA       LYS  73   6.623 -16.108  -2.059
  584   1HB   LYS  73          2HB       LYS  73   6.512 -18.343  -1.225
  585   2HB   LYS  73          1HB       LYS  73   5.350 -17.370  -0.339
  586   1HG   LYS  73          2HG       LYS  73   4.726 -19.279  -2.582
  587   2HG   LYS  73          1HG       LYS  73   4.435 -19.541  -0.865
  588   1HD   LYS  73          2HD       LYS  73   3.077 -17.295  -1.100
  589   2HD   LYS  73          1HD       LYS  73   2.991 -17.793  -2.788
  590   1HE   LYS  73          2HE       LYS  73   1.773 -19.697  -2.305
  591   2HE   LYS  73          1HE       LYS  73   2.329 -19.747  -0.633
  592   1HZ   LYS  73          1HZ       LYS  73   0.607 -18.529   0.018
  593   2HZ   LYS  73          2HZ       LYS  73  -0.062 -18.759  -1.519
  594   3HZ   LYS  73          3HZ       LYS  73   0.848 -17.370  -1.192
  595    H    GLU  74           H        GLU  74   3.993 -17.074  -4.136
  596    HA   GLU  74           HA       GLU  74   5.523 -18.802  -5.802
  597   1HB   GLU  74          2HB       GLU  74   2.856 -18.262  -5.545
  598   2HB   GLU  74          1HB       GLU  74   3.236 -17.417  -7.039
  599   1HG   GLU  74          2HG       GLU  74   4.303 -19.577  -7.822
  600   2HG   GLU  74          1HG       GLU  74   3.536 -20.340  -6.430
  601    H    ASN  75           H        ASN  75   5.895 -15.615  -5.246
  602    HA   ASN  75           HA       ASN  75   7.190 -14.037  -6.249
  603   1HB   ASN  75          2HB       ASN  75   8.205 -16.239  -7.350
  604   2HB   ASN  75          1HB       ASN  75   7.466 -15.556  -8.795
  605   1HD2  ASN  75          1HD2      ASN  75   9.999 -15.309  -6.495
  606   2HD2  ASN  75          2HD2      ASN  75  10.841 -13.993  -7.234
  607    H    ASN  76           H        ASN  76   4.447 -13.791  -6.341
  608    HA   ASN  76           HA       ASN  76   4.056 -11.836  -8.270
  609   1HB   ASN  76          2HB       ASN  76   2.425 -13.066  -9.796
  610   2HB   ASN  76          1HB       ASN  76   4.136 -13.397 -10.038
  611   1HD2  ASN  76          1HD2      ASN  76   4.863 -15.428  -9.842
  612   2HD2  ASN  76          2HD2      ASN  76   3.888 -16.781  -9.386
  613    H    SER  77           H        SER  77   2.174 -10.721  -7.957
  614    HA   SER  77           HA       SER  77  -0.190 -11.861  -6.898
  615   1HB   SER  77          2HB       SER  77   0.954 -11.942  -4.788
  616   2HB   SER  77          1HB       SER  77   1.502 -10.280  -4.967
  617    HG   SER  77           HG       SER  77  -0.627  -9.592  -4.780
  618    H    GLY  78           H        GLY  78   1.695  -8.828  -7.085
  619   1HA   GLY  78          2HA       GLY  78   0.318  -7.435  -8.887
  620   2HA   GLY  78          1HA       GLY  78  -0.763  -7.331  -7.507
  621    H    LEU  79           H        LEU  79   0.772  -5.251  -8.945
  622    HA   LEU  79           HA       LEU  79   1.772  -3.899  -6.600
  623   1HB   LEU  79          2HB       LEU  79   3.979  -3.460  -7.460
  624   2HB   LEU  79          1HB       LEU  79   3.722  -5.190  -7.358
  625    HG   LEU  79           HG       LEU  79   2.965  -4.414  -9.970
  626   1HD1  LEU  79          1HD1      LEU  79   5.730  -3.684 -10.020
  627   2HD1  LEU  79          2HD1      LEU  79   4.846  -2.598  -8.948
  628   3HD1  LEU  79          3HD1      LEU  79   4.330  -2.798 -10.623
  629   1HD2  LEU  79          1HD2      LEU  79   4.244  -6.475  -8.799
  630   2HD2  LEU  79          2HD2      LEU  79   5.609  -5.648  -9.550
  631   3HD2  LEU  79          3HD2      LEU  79   4.249  -6.180 -10.537
  632    H    ILE  80           H        ILE  80   1.152  -1.836  -6.711
  633    HA   ILE  80           HA       ILE  80   1.245  -0.364  -9.192
  634    HB   ILE  80           HB       ILE  80  -1.100   0.254  -9.284
  635   1HG1  ILE  80          2HG1      ILE  80  -2.495  -1.611  -7.811
  636   2HG1  ILE  80          1HG1      ILE  80  -1.177  -1.176  -6.728
  637   1HG2  ILE  80          1HG2      ILE  80  -0.259  -1.717 -10.551
  638   2HG2  ILE  80          2HG2      ILE  80  -1.988  -1.766 -10.205
  639   3HG2  ILE  80          3HG2      ILE  80  -0.870  -2.748  -9.258
  640   1HD1  ILE  80          1HD1      ILE  80  -3.564   0.203  -7.155
  641   2HD1  ILE  80          2HD1      ILE  80  -2.303   1.182  -7.907
  642   3HD1  ILE  80          3HD1      ILE  80  -2.172   0.727  -6.208
  643    H    LYS  81           H        LYS  81   0.553   1.897  -8.927
  644    HA   LYS  81           HA       LYS  81   1.575   2.981  -6.488
  645   1HB   LYS  81          2HB       LYS  81   1.085   5.174  -7.559
  646   2HB   LYS  81          1HB       LYS  81   2.085   4.109  -8.538
  647   1HG   LYS  81          2HG       LYS  81  -0.756   3.800  -9.078
  648   2HG   LYS  81          1HG       LYS  81  -0.170   5.438  -9.371
  649   1HD   LYS  81          2HD       LYS  81   1.776   4.209 -10.607
  650   2HD   LYS  81          1HD       LYS  81   0.626   2.873 -10.679
  651   1HE   LYS  81          2HE       LYS  81  -0.083   5.651 -11.579
  652   2HE   LYS  81          1HE       LYS  81   0.671   4.477 -12.657
  653   1HZ   LYS  81          1HZ       LYS  81  -1.506   4.053 -13.076
  654   2HZ   LYS  81          2HZ       LYS  81  -2.028   4.502 -11.532
  655   3HZ   LYS  81          3HZ       LYS  81  -1.297   2.996 -11.772
  656    HA   PRO  82           HA       PRO  82  -2.587   3.321  -4.751
  657   1HB   PRO  82          2HB       PRO  82  -1.960   2.779  -2.239
  658   2HB   PRO  82          1HB       PRO  82  -1.885   1.506  -3.463
  659   1HG   PRO  82          2HG       PRO  82   0.322   3.024  -2.170
  660   2HG   PRO  82          1HG       PRO  82   0.289   1.344  -2.732
  661   1HD   PRO  82          2HD       PRO  82   1.329   3.599  -4.115
  662   2HD   PRO  82          1HD       PRO  82   1.136   1.954  -4.739
  663    H    PHE  83           H        PHE  83  -3.310   4.468  -2.641
  664    HA   PHE  83           HA       PHE  83  -2.098   7.126  -2.613
  665   1HB   PHE  83          2HB       PHE  83  -4.890   6.132  -2.384
  666   2HB   PHE  83          1HB       PHE  83  -4.473   7.555  -1.438
  667    HD1  PHE  83           1HD      PHE  83  -6.391   7.173  -3.886
  668    HD2  PHE  83           2HD      PHE  83  -2.440   8.672  -3.414
  669    HE1  PHE  83           1HE      PHE  83  -6.697   8.578  -5.884
  670    HE2  PHE  83           2HE      PHE  83  -2.735  10.083  -5.414
  671    HZ   PHE  83           HZ       PHE  83  -4.865  10.038  -6.650
  672    H    VAL  84           H        VAL  84  -1.015   7.715  -0.871
  673    HA   VAL  84           HA       VAL  84  -1.483   6.277   1.643
  674    HB   VAL  84           HB       VAL  84   1.067   7.641   0.864
  675   1HG1  VAL  84          1HG1      VAL  84   1.997   6.682   2.645
  676   2HG1  VAL  84          2HG1      VAL  84   0.973   5.248   2.553
  677   3HG1  VAL  84          3HG1      VAL  84   0.333   6.748   3.226
  678   1HG2  VAL  84          1HG2      VAL  84   1.581   4.985   0.508
  679   2HG2  VAL  84          2HG2      VAL  84   1.282   6.138  -0.790
  680   3HG2  VAL  84          3HG2      VAL  84  -0.036   5.145  -0.176
  681    H    ILE  85           H        ILE  85  -2.513   7.524   3.085
  682    HA   ILE  85           HA       ILE  85  -1.577  10.305   3.403
  683    HB   ILE  85           HB       ILE  85  -4.322   9.357   3.010
  684   1HG1  ILE  85          2HG1      ILE  85  -2.949  11.173   1.779
  685   2HG1  ILE  85          1HG1      ILE  85  -4.648  11.484   2.099
  686   1HG2  ILE  85          1HG2      ILE  85  -5.403  10.832   4.602
  687   2HG2  ILE  85          2HG2      ILE  85  -3.840  11.279   5.278
  688   3HG2  ILE  85          3HG2      ILE  85  -4.428   9.626   5.441
  689   1HD1  ILE  85          1HD1      ILE  85  -3.801  12.708   4.197
  690   2HD1  ILE  85          2HD1      ILE  85  -3.603  13.480   2.624
  691   3HD1  ILE  85          3HD1      ILE  85  -2.232  12.678   3.390
  692    HA   PRO  86           HA       PRO  86  -0.777   8.937   7.509
  693   1HB   PRO  86          2HB       PRO  86  -0.449  11.280   8.787
  694   2HB   PRO  86          1HB       PRO  86   0.701  10.706   7.573
  695   1HG   PRO  86          2HG       PRO  86  -1.491  12.722   7.304
  696   2HG   PRO  86          1HG       PRO  86   0.158  12.766   6.652
  697   1HD   PRO  86          2HD       PRO  86  -2.053  12.044   5.198
  698   2HD   PRO  86          1HD       PRO  86  -0.407  11.505   4.825
  699    H    ASN  87           H        ASN  87  -3.472   8.676   7.014
  700    HA   ASN  87           HA       ASN  87  -4.550   9.394   9.622
  701   1HB   ASN  87          2HB       ASN  87  -6.565  10.320   8.811
  702   2HB   ASN  87          1HB       ASN  87  -5.298  11.080   7.858
  703   1HD2  ASN  87          1HD2      ASN  87  -7.614  11.336   6.775
  704   2HD2  ASN  87          2HD2      ASN  87  -7.890  10.234   5.475
  705    H    LEU  88           H        LEU  88  -3.767   6.993   7.658
  706    HA   LEU  88           HA       LEU  88  -4.286   4.788   7.593
  707   1HB   LEU  88          2HB       LEU  88  -5.167   5.610  10.090
  708   2HB   LEU  88          1HB       LEU  88  -6.561   4.794   9.410
  709    HG   LEU  88           HG       LEU  88  -5.278   3.221  10.703
  710   1HD1  LEU  88          1HD1      LEU  88  -6.339   2.373   8.681
  711   2HD1  LEU  88          2HD1      LEU  88  -4.833   1.518   9.010
  712   3HD1  LEU  88          3HD1      LEU  88  -4.889   2.752   7.751
  713   1HD2  LEU  88          1HD2      LEU  88  -2.920   2.692   9.583
  714   2HD2  LEU  88          2HD2      LEU  88  -3.108   3.862  10.890
  715   3HD2  LEU  88          3HD2      LEU  88  -3.011   4.415   9.217
  716    HA   PRO  89           HA       PRO  89  -7.840   5.702   4.830
  717   1HB   PRO  89          2HB       PRO  89  -6.298   4.363   2.764
  718   2HB   PRO  89          1HB       PRO  89  -6.828   6.043   2.833
  719   1HG   PRO  89          2HG       PRO  89  -4.219   5.313   3.038
  720   2HG   PRO  89          1HG       PRO  89  -4.884   6.755   3.824
  721   1HD   PRO  89          2HD       PRO  89  -4.336   4.045   4.989
  722   2HD   PRO  89          1HD       PRO  89  -3.974   5.651   5.660
  723    H    VAL  90           H        VAL  90  -7.308   3.334   6.616
  724    HA   VAL  90           HA       VAL  90  -8.355   1.351   6.998
  725    HB   VAL  90           HB       VAL  90  -9.472   1.610   4.227
  726   1HG1  VAL  90          1HG1      VAL  90 -10.061  -0.179   6.545
  727   2HG1  VAL  90          2HG1      VAL  90  -9.868  -0.587   4.842
  728   3HG1  VAL  90          3HG1      VAL  90 -11.335   0.221   5.395
  729   1HG2  VAL  90          1HG2      VAL  90 -10.895   3.170   4.926
  730   2HG2  VAL  90          2HG2      VAL  90  -9.936   3.293   6.401
  731   3HG2  VAL  90          3HG2      VAL  90 -11.333   2.215   6.342
  732    H    ASN  91           H        ASN  91  -5.942   1.888   4.888
  733    HA   ASN  91           HA       ASN  91  -4.547   0.617   3.590
  734   1HB   ASN  91          2HB       ASN  91  -3.928  -1.573   4.865
  735   2HB   ASN  91          1HB       ASN  91  -3.550  -0.013   5.581
  736   1HD2  ASN  91          1HD2      ASN  91  -5.938  -2.604   5.564
  737   2HD2  ASN  91          2HD2      ASN  91  -6.447  -2.389   7.202
  738    H    LEU  92           H        LEU  92  -5.739   0.182   1.745
  739    HA   LEU  92           HA       LEU  92  -6.696  -2.590   1.552
  740   1HB   LEU  92          2HB       LEU  92  -8.319  -1.369  -0.246
  741   2HB   LEU  92          1HB       LEU  92  -8.794  -1.806   1.386
  742    HG   LEU  92           HG       LEU  92  -7.601   0.798   1.448
  743   1HD1  LEU  92          1HD1      LEU  92  -8.270   0.753  -0.984
  744   2HD1  LEU  92          2HD1      LEU  92  -8.970   2.049  -0.013
  745   3HD1  LEU  92          3HD1      LEU  92  -9.941   0.637  -0.430
  746   1HD2  LEU  92          1HD2      LEU  92  -9.149   0.004   3.102
  747   2HD2  LEU  92          2HD2      LEU  92 -10.402  -0.222   1.882
  748   3HD2  LEU  92          3HD2      LEU  92  -9.852   1.404   2.291
  749    H    TRP  93           H        TRP  93  -6.360  -3.593  -0.394
  750    HA   TRP  93           HA       TRP  93  -4.364  -2.356  -2.100
  751   1HB   TRP  93          2HB       TRP  93  -4.932  -4.998  -1.282
  752   2HB   TRP  93          1HB       TRP  93  -5.221  -4.943  -3.013
  753    HD1  TRP  93           HD       TRP  93  -3.119  -6.396  -3.612
  754    HE1  TRP  93           1HE      TRP  93  -0.597  -5.904  -3.623
  755    HE3  TRP  93           3HE      TRP  93  -3.099  -2.080  -0.857
  756    HZ2  TRP  93           2HZ      TRP  93   1.156  -3.969  -2.624
  757    HZ3  TRP  93           3HZ      TRP  93  -0.946  -0.974  -0.441
  758    HH2  TRP  93           HH       TRP  93   1.138  -1.902  -1.294
  759    H    GLY  94           H        GLY  94  -4.810  -3.199  -4.584
  760   1HA   GLY  94          2HA       GLY  94  -7.302  -1.796  -5.235
  761   2HA   GLY  94          1HA       GLY  94  -5.952  -2.045  -6.319
  762    H    ARG  95           H        ARG  95  -8.794  -2.558  -6.739
  763    HA   ARG  95           HA       ARG  95  -9.614  -5.162  -6.525
  764   1HB   ARG  95          2HB       ARG  95 -11.011  -3.355  -7.410
  765   2HB   ARG  95          1HB       ARG  95 -10.053  -3.319  -8.875
  766   1HG   ARG  95          2HG       ARG  95 -10.940  -5.277  -9.678
  767   2HG   ARG  95          1HG       ARG  95 -11.356  -5.869  -8.070
  768   1HD   ARG  95          2HD       ARG  95 -12.736  -3.664  -9.596
  769   2HD   ARG  95          1HD       ARG  95 -13.370  -5.277  -9.268
  770    HE   ARG  95           HE       ARG  95 -12.690  -3.809  -6.896
  771   1HH1  ARG  95          1HH1      ARG  95 -15.175  -4.388  -9.276
  772   2HH1  ARG  95          2HH1      ARG  95 -16.467  -3.911  -8.227
  773   1HH2  ARG  95          1HH2      ARG  95 -14.388  -3.183  -5.513
  774   2HH2  ARG  95          2HH2      ARG  95 -16.020  -3.226  -6.090
  775    H    ASP  96           H        ASP  96  -7.142  -3.896  -8.613
  776    HA   ASP  96           HA       ASP  96  -7.093  -6.103 -10.420
  777   1HB   ASP  96          2HB       ASP  96  -6.101  -3.702 -10.691
  778   2HB   ASP  96          1HB       ASP  96  -4.697  -4.380  -9.875
  779    H    LEU  97           H        LEU  97  -5.079  -5.177  -7.628
  780    HA   LEU  97           HA       LEU  97  -3.495  -7.526  -7.704
  781   1HB   LEU  97          2HB       LEU  97  -3.980  -5.830  -5.259
  782   2HB   LEU  97          1HB       LEU  97  -2.596  -6.842  -5.605
  783    HG   LEU  97           HG       LEU  97  -3.158  -4.072  -6.416
  784   1HD1  LEU  97          1HD1      LEU  97  -1.311  -4.111  -5.130
  785   2HD1  LEU  97          2HD1      LEU  97  -0.511  -4.447  -6.666
  786   3HD1  LEU  97          3HD1      LEU  97  -0.907  -5.772  -5.571
  787   1HD2  LEU  97          1HD2      LEU  97  -3.290  -4.699  -8.618
  788   2HD2  LEU  97          2HD2      LEU  97  -2.273  -6.121  -8.391
  789   3HD2  LEU  97          3HD2      LEU  97  -1.546  -4.514  -8.432
  790    H    LEU  98           H        LEU  98  -6.431  -6.644  -5.929
  791    HA   LEU  98           HA       LEU  98  -6.514  -8.963  -4.311
  792   1HB   LEU  98          2HB       LEU  98  -8.651  -7.042  -5.216
  793   2HB   LEU  98          1HB       LEU  98  -9.014  -8.421  -4.201
  794    HG   LEU  98           HG       LEU  98  -8.810  -6.746  -2.638
  795   1HD1  LEU  98          1HD1      LEU  98  -5.895  -7.340  -2.691
  796   2HD1  LEU  98          2HD1      LEU  98  -7.035  -8.657  -2.417
  797   3HD1  LEU  98          3HD1      LEU  98  -7.007  -7.272  -1.326
  798   1HD2  LEU  98          1HD2      LEU  98  -7.279  -4.901  -2.749
  799   2HD2  LEU  98          2HD2      LEU  98  -8.121  -5.051  -4.293
  800   3HD2  LEU  98          3HD2      LEU  98  -6.462  -5.621  -4.134
  801    H    SER  99           H        SER  99  -8.319  -8.142  -7.274
  802    HA   SER  99           HA       SER  99  -9.725 -10.422  -7.719
  803   1HB   SER  99          2HB       SER  99  -8.293  -8.606  -9.644
  804   2HB   SER  99          1HB       SER  99  -9.219  -9.990 -10.223
  805    HG   SER  99           HG       SER  99 -10.999  -9.075  -8.944
  806    H    GLN 100           H        GLN 100  -6.342  -9.883  -8.653
  807    HA   GLN 100           HA       GLN 100  -5.934 -12.487  -9.702
  808   1HB   GLN 100          2HB       GLN 100  -4.147 -10.247  -8.840
  809   2HB   GLN 100          1HB       GLN 100  -3.453 -11.811  -9.243
  810   1HG   GLN 100          2HG       GLN 100  -3.702 -11.484 -11.431
  811   2HG   GLN 100          1HG       GLN 100  -5.336 -10.849 -11.243
  812   1HE2  GLN 100          1HE2      GLN 100  -1.940  -9.966 -10.779
  813   2HE2  GLN 100          2HE2      GLN 100  -2.135  -8.302 -11.197
  814    H    MET 101           H        MET 101  -4.789 -11.001  -6.657
  815    HA   MET 101           HA       MET 101  -3.560 -13.075  -5.446
  816   1HB   MET 101          2HB       MET 101  -4.790 -10.659  -4.589
  817   2HB   MET 101          1HB       MET 101  -5.240 -11.920  -3.451
  818   1HG   MET 101          2HG       MET 101  -2.881 -12.478  -3.145
  819   2HG   MET 101          1HG       MET 101  -2.442 -11.202  -4.277
  820   1HE   MET 101          1HE       MET 101  -3.089  -8.969  -4.143
  821   2HE   MET 101          2HE       MET 101  -1.970  -8.384  -2.912
  822   3HE   MET 101          3HE       MET 101  -3.697  -8.076  -2.749
  823    H    LYS 102           H        LYS 102  -7.058 -12.469  -4.990
  824    HA   LYS 102           HA       LYS 102  -7.866 -15.101  -5.400
  825   1HB   LYS 102          2HB       LYS 102  -6.446 -14.983  -3.065
  826   2HB   LYS 102          1HB       LYS 102  -8.092 -14.759  -2.489
  827   1HG   LYS 102          2HG       LYS 102  -8.679 -16.880  -2.935
  828   2HG   LYS 102          1HG       LYS 102  -7.733 -16.939  -4.425
  829   1HD   LYS 102          2HD       LYS 102  -6.000 -16.738  -2.132
  830   2HD   LYS 102          1HD       LYS 102  -7.104 -18.102  -1.954
  831   1HE   LYS 102          2HE       LYS 102  -5.653 -19.233  -3.223
  832   2HE   LYS 102          1HE       LYS 102  -6.310 -18.308  -4.573
  833   1HZ   LYS 102          1HZ       LYS 102  -3.728 -18.133  -3.310
  834   2HZ   LYS 102          2HZ       LYS 102  -4.463 -16.628  -3.548
  835   3HZ   LYS 102          3HZ       LYS 102  -4.207 -17.662  -4.863
  836    H    ILE 103           H        ILE 103  -8.972 -12.769  -6.191
  837    HA   ILE 103           HA       ILE 103 -11.398 -12.588  -4.512
  838    HB   ILE 103           HB       ILE 103  -9.828 -10.445  -5.838
  839   1HG1  ILE 103          2HG1      ILE 103 -10.727  -9.199  -3.821
  840   2HG1  ILE 103          1HG1      ILE 103 -11.450 -10.721  -3.311
  841   1HG2  ILE 103          1HG2      ILE 103 -11.850 -10.203  -7.084
  842   2HG2  ILE 103          2HG2      ILE 103 -11.835  -8.953  -5.840
  843   3HG2  ILE 103          3HG2      ILE 103 -12.830 -10.395  -5.631
  844   1HD1  ILE 103          1HD1      ILE 103  -9.543 -11.392  -2.423
  845   2HD1  ILE 103          2HD1      ILE 103  -8.882  -9.793  -2.763
  846   3HD1  ILE 103          3HD1      ILE 103  -8.675 -11.098  -3.930
  847    H    MET 104           H        MET 104 -10.102 -12.601  -7.795
  848    HA   MET 104           HA       MET 104 -12.522 -12.418  -9.189
  849   1HB   MET 104          2HB       MET 104 -10.018 -12.436 -10.011
  850   2HB   MET 104          1HB       MET 104 -10.311 -14.157 -10.209
  851   1HG   MET 104          2HG       MET 104 -11.369 -13.816 -12.116
  852   2HG   MET 104          1HG       MET 104 -12.480 -12.682 -11.350
  853   1HE   MET 104          1HE       MET 104  -8.463 -12.236 -11.837
  854   2HE   MET 104          2HE       MET 104  -8.552 -11.652 -13.498
  855   3HE   MET 104          3HE       MET 104  -9.149 -13.261 -13.097
  856    H    MET 105           H        MET 105 -14.112 -13.840  -9.632
  857    HA   MET 105           HA       MET 105 -14.358 -16.195  -8.099
  858   1HB   MET 105          2HB       MET 105 -16.107 -14.607  -9.422
  859   2HB   MET 105          1HB       MET 105 -16.027 -15.971 -10.527
  860   1HG   MET 105          2HG       MET 105 -17.160 -17.320  -9.148
  861   2HG   MET 105          1HG       MET 105 -16.346 -16.706  -7.711
  862   1HE   MET 105          1HE       MET 105 -18.510 -13.953  -6.380
  863   2HE   MET 105          2HE       MET 105 -16.824 -14.288  -6.778
  864   3HE   MET 105          3HE       MET 105 -17.774 -15.479  -5.888
  865    H    ALA 106           H        ALA 106 -12.244 -17.133  -8.760
  866    HA   ALA 106           HA       ALA 106 -11.917 -18.206 -11.381
  867   1HB   ALA 106          1HB       ALA 106 -10.524 -18.813  -8.777
  868   2HB   ALA 106          2HB       ALA 106  -9.965 -17.758 -10.076
  869   3HB   ALA 106          3HB       ALA 106 -10.056 -19.501 -10.333
  870    H    SER 107           H        SER 107 -13.670 -19.462 -11.939
  871    HA   SER 107           HA       SER 107 -13.768 -22.089 -10.671
  872   1HB   SER 107          2HB       SER 107 -16.343 -21.945 -10.844
  873   2HB   SER 107          1HB       SER 107 -15.560 -21.119  -9.498
  874    HG   SER 107           HG       SER 107 -16.706 -19.498 -10.238
  Start of MODEL    2
    1   1H    TRP   1          1HT       TRP   1   9.037 -15.781   5.148
    2   2H    TRP   1          2HT       TRP   1   9.607 -16.266   3.604
    3   3H    TRP   1          3HT       TRP   1  10.204 -17.029   5.020
    4    HA   TRP   1           HA       TRP   1   8.539 -18.283   3.700
    5   1HB   TRP   1          2HB       TRP   1   7.372 -19.000   5.800
    6   2HB   TRP   1          1HB       TRP   1   9.123 -18.904   5.955
    7    HD1  TRP   1           HD       TRP   1  10.116 -17.004   7.546
    8    HE1  TRP   1           1HE      TRP   1   9.046 -15.577   9.401
    9    HE3  TRP   1           3HE      TRP   1   5.187 -17.829   6.466
   10    HZ2  TRP   1           2HZ      TRP   1   6.455 -14.891  10.289
   11    HZ3  TRP   1           3HZ      TRP   1   3.476 -16.751   7.867
   12    HH2  TRP   1           HH       TRP   1   4.099 -15.313   9.740
   13    H    VAL   2           H        VAL   2   6.292 -18.611   3.332
   14    HA   VAL   2           HA       VAL   2   4.705 -16.130   3.463
   15    HB   VAL   2           HB       VAL   2   5.295 -16.800   1.167
   16   1HG1  VAL   2          1HG1      VAL   2   5.238 -18.913   0.490
   17   2HG1  VAL   2          2HG1      VAL   2   3.516 -19.022   0.857
   18   3HG1  VAL   2          3HG1      VAL   2   4.708 -19.390   2.104
   19   1HG2  VAL   2          1HG2      VAL   2   2.352 -17.198   1.670
   20   2HG2  VAL   2          2HG2      VAL   2   3.119 -16.553   0.220
   21   3HG2  VAL   2          3HG2      VAL   2   3.155 -15.628   1.719
   22    H    GLN   3           H        GLN   3   2.394 -16.374   3.712
   23    HA   GLN   3           HA       GLN   3   1.589 -18.923   4.943
   24   1HB   GLN   3          2HB       GLN   3   2.094 -16.697   6.427
   25   2HB   GLN   3          1HB       GLN   3   0.377 -16.498   6.104
   26   1HG   GLN   3          2HG       GLN   3   1.034 -19.202   6.920
   27   2HG   GLN   3          1HG       GLN   3   1.510 -18.000   8.119
   28   1HE2  GLN   3          1HE2      GLN   3  -0.782 -20.074   7.625
   29   2HE2  GLN   3          2HE2      GLN   3  -2.181 -19.207   8.153
   30    HA   PRO   4           HA       PRO   4  -1.872 -18.454   2.197
   31   1HB   PRO   4          2HB       PRO   4  -3.452 -20.412   3.164
   32   2HB   PRO   4          1HB       PRO   4  -1.974 -20.760   2.261
   33   1HG   PRO   4          2HG       PRO   4  -2.435 -20.773   5.219
   34   2HG   PRO   4          1HG       PRO   4  -1.541 -21.933   4.221
   35   1HD   PRO   4          2HD       PRO   4  -0.332 -19.972   5.678
   36   2HD   PRO   4          1HD       PRO   4   0.348 -20.628   4.178
   37    H    ILE   5           H        ILE   5  -3.840 -17.436   2.153
   38    HA   ILE   5           HA       ILE   5  -4.688 -16.166   4.621
   39    HB   ILE   5           HB       ILE   5  -4.502 -14.777   2.636
   40   1HG1  ILE   5          2HG1      ILE   5  -7.455 -15.023   3.134
   41   2HG1  ILE   5          1HG1      ILE   5  -6.373 -14.494   4.418
   42   1HG2  ILE   5          1HG2      ILE   5  -5.952 -16.966   1.409
   43   2HG2  ILE   5          2HG2      ILE   5  -4.965 -15.707   0.670
   44   3HG2  ILE   5          3HG2      ILE   5  -6.662 -15.397   1.030
   45   1HD1  ILE   5          1HD1      ILE   5  -6.516 -13.164   1.729
   46   2HD1  ILE   5          2HD1      ILE   5  -5.723 -12.576   3.190
   47   3HD1  ILE   5          3HD1      ILE   5  -7.483 -12.670   3.117
   48    H    THR   6           H        THR   6  -6.488 -16.620   5.743
   49    HA   THR   6           HA       THR   6  -8.118 -18.874   4.821
   50    HB   THR   6           HB       THR   6  -8.125 -17.611   7.563
   51    HG1  THR   6           1HG      THR   6  -6.622 -19.862   6.728
   52   1HG2  THR   6          1HG2      THR   6  -9.991 -19.188   6.887
   53   2HG2  THR   6          2HG2      THR   6  -9.095 -19.585   8.354
   54   3HG2  THR   6          3HG2      THR   6  -8.760 -20.453   6.855
   55    H    ALA   7           H        ALA   7 -10.081 -18.538   4.023
   56    HA   ALA   7           HA       ALA   7 -12.061 -17.555   3.478
   57   1HB   ALA   7          1HB       ALA   7 -12.078 -17.567   6.112
   58   2HB   ALA   7          2HB       ALA   7 -13.329 -16.729   5.196
   59   3HB   ALA   7          3HB       ALA   7 -11.992 -15.818   5.896
   60    H    GLN   8           H        GLN   8 -13.104 -15.069   3.666
   61    HA   GLN   8           HA       GLN   8 -11.144 -13.471   2.178
   62   1HB   GLN   8          2HB       GLN   8 -14.063 -12.797   2.333
   63   2HB   GLN   8          1HB       GLN   8 -12.912 -12.459   1.047
   64   1HG   GLN   8          2HG       GLN   8 -14.032 -15.168   1.734
   65   2HG   GLN   8          1HG       GLN   8 -14.545 -14.147   0.391
   66   1HE2  GLN   8          1HE2      GLN   8 -13.017 -13.717  -1.294
   67   2HE2  GLN   8          2HE2      GLN   8 -11.759 -14.851  -1.634
   68    H    LYS   9           H        LYS   9 -10.018 -12.547   3.879
   69    HA   LYS   9           HA       LYS   9 -11.419 -10.353   5.197
   70   1HB   LYS   9          2HB       LYS   9 -10.548 -12.746   6.546
   71   2HB   LYS   9          1HB       LYS   9  -9.645 -11.362   7.148
   72   1HG   LYS   9          2HG       LYS   9 -11.477 -11.459   8.557
   73   2HG   LYS   9          1HG       LYS   9 -11.944 -10.231   7.379
   74   1HD   LYS   9          2HD       LYS   9 -12.802 -12.625   6.259
   75   2HD   LYS   9          1HD       LYS   9 -13.170 -12.788   7.978
   76   1HE   LYS   9          2HE       LYS   9 -15.030 -11.798   6.696
   77   2HE   LYS   9          1HE       LYS   9 -14.417 -10.719   7.948
   78   1HZ   LYS   9          1HZ       LYS   9 -13.405 -10.521   5.187
   79   2HZ   LYS   9          2HZ       LYS   9 -13.440  -9.337   6.396
   80   3HZ   LYS   9          3HZ       LYS   9 -14.869  -9.787   5.611
   81    HA   PRO  10           HA       PRO  10  -7.676  -8.182   4.368
   82   1HB   PRO  10          2HB       PRO  10  -7.520  -6.403   6.384
   83   2HB   PRO  10          1HB       PRO  10  -8.779  -6.311   5.147
   84   1HG   PRO  10          2HG       PRO  10  -8.931  -7.399   7.930
   85   2HG   PRO  10          1HG       PRO  10 -10.102  -6.396   7.055
   86   1HD   PRO  10          2HD       PRO  10 -10.337  -9.105   7.335
   87   2HD   PRO  10          1HD       PRO  10 -11.017  -8.195   5.973
   88    H    SER  11           H        SER  11  -6.858 -10.565   5.245
   89    HA   SER  11           HA       SER  11  -4.544  -9.889   6.869
   90   1HB   SER  11          2HB       SER  11  -6.216 -12.275   7.650
   91   2HB   SER  11          1HB       SER  11  -4.861 -11.561   8.526
   92    HG   SER  11           HG       SER  11  -6.177  -9.702   8.848
   93    H    LEU  12           H        LEU  12  -2.874 -10.570   5.746
   94    HA   LEU  12           HA       LEU  12  -2.563 -13.280   4.952
   95   1HB   LEU  12          2HB       LEU  12  -3.379 -13.209   2.883
   96   2HB   LEU  12          1HB       LEU  12  -3.743 -11.506   3.047
   97    HG   LEU  12           HG       LEU  12  -0.989 -12.440   2.279
   98   1HD1  LEU  12          1HD1      LEU  12  -3.355 -12.814   0.751
   99   2HD1  LEU  12          2HD1      LEU  12  -1.681 -13.120   0.291
  100   3HD1  LEU  12          3HD1      LEU  12  -2.401 -11.538  -0.003
  101   1HD2  LEU  12          1HD2      LEU  12  -1.527 -10.078   1.015
  102   2HD2  LEU  12          2HD2      LEU  12  -0.666 -10.243   2.545
  103   3HD2  LEU  12          3HD2      LEU  12  -2.394  -9.891   2.539
  104    H    THR  13           H        THR  13  -0.402 -13.719   4.187
  105    HA   THR  13           HA       THR  13   1.449 -11.490   4.726
  106    HB   THR  13           HB       THR  13   2.108 -14.398   5.155
  107    HG1  THR  13           1HG      THR  13   0.502 -14.085   6.592
  108   1HG2  THR  13          1HG2      THR  13   3.272 -12.125   6.683
  109   2HG2  THR  13          2HG2      THR  13   3.870 -12.485   5.064
  110   3HG2  THR  13          3HG2      THR  13   3.951 -13.712   6.327
  111    H    LEU  14           H        LEU  14   2.395 -10.820   2.943
  112    HA   LEU  14           HA       LEU  14   3.455 -12.806   1.065
  113   1HB   LEU  14          2HB       LEU  14   2.176 -10.264   0.111
  114   2HB   LEU  14          1HB       LEU  14   2.781 -11.577  -0.864
  115    HG   LEU  14           HG       LEU  14   0.283 -11.531   0.820
  116   1HD1  LEU  14          1HD1      LEU  14  -0.852 -11.909  -1.254
  117   2HD1  LEU  14          2HD1      LEU  14   0.677 -12.119  -2.108
  118   3HD1  LEU  14          3HD1      LEU  14   0.237 -10.537  -1.465
  119   1HD2  LEU  14          1HD2      LEU  14   0.495 -13.716   1.158
  120   2HD2  LEU  14          2HD2      LEU  14   1.955 -13.787   0.172
  121   3HD2  LEU  14          3HD2      LEU  14   0.371 -13.940  -0.585
  122    H    TRP  15           H        TRP  15   4.966 -11.619  -0.551
  123    HA   TRP  15           HA       TRP  15   6.723  -9.978   1.111
  124   1HB   TRP  15          2HB       TRP  15   8.238 -11.427   0.375
  125   2HB   TRP  15          1HB       TRP  15   7.056 -12.143  -0.700
  126    HD1  TRP  15           HD       TRP  15   6.778 -10.145  -2.995
  127    HE1  TRP  15           1HE      TRP  15   8.792  -9.577  -4.493
  128    HE3  TRP  15           3HE      TRP  15  10.571 -11.578   0.103
  129    HZ2  TRP  15           2HZ      TRP  15  11.600  -9.740  -4.409
  130    HZ3  TRP  15           3HZ      TRP  15  12.884 -11.358  -0.688
  131    HH2  TRP  15           HH       TRP  15  13.385 -10.466  -2.890
  132    H    LEU  16           H        LEU  16   7.456  -7.989   0.535
  133    HA   LEU  16           HA       LEU  16   6.491  -6.878  -2.001
  134   1HB   LEU  16          2HB       LEU  16   6.032  -4.727  -0.692
  135   2HB   LEU  16          1HB       LEU  16   4.868  -6.032  -0.585
  136    HG   LEU  16           HG       LEU  16   6.086  -6.694   1.582
  137   1HD1  LEU  16          1HD1      LEU  16   6.912  -4.316   2.549
  138   2HD1  LEU  16          2HD1      LEU  16   7.438  -4.179   0.871
  139   3HD1  LEU  16          3HD1      LEU  16   7.993  -5.529   1.861
  140   1HD2  LEU  16          1HD2      LEU  16   4.754  -5.117   2.882
  141   2HD2  LEU  16          2HD2      LEU  16   3.843  -5.732   1.502
  142   3HD2  LEU  16          3HD2      LEU  16   4.536  -4.111   1.449
  143    H    ASP  17           H        ASP  17   7.888  -5.754  -3.079
  144    HA   ASP  17           HA       ASP  17  10.075  -5.244  -3.700
  145   1HB   ASP  17          2HB       ASP  17  10.482  -2.879  -2.845
  146   2HB   ASP  17          1HB       ASP  17   8.973  -3.177  -3.696
  147    H    ASP  18           H        ASP  18  10.415  -7.048  -1.375
  148    HA   ASP  18           HA       ASP  18  13.079  -6.715  -0.883
  149   1HB   ASP  18          2HB       ASP  18  11.623  -4.726   0.561
  150   2HB   ASP  18          1HB       ASP  18  12.341  -5.838   1.719
  151    H    LYS  19           H        LYS  19  10.137  -7.448   1.031
  152    HA   LYS  19           HA       LYS  19  10.944 -10.163   1.349
  153   1HB   LYS  19          2HB       LYS  19  11.412 -10.173   3.733
  154   2HB   LYS  19          1HB       LYS  19  12.549  -9.137   2.882
  155   1HG   LYS  19          2HG       LYS  19  10.586  -7.373   3.569
  156   2HG   LYS  19          1HG       LYS  19  10.583  -8.484   4.940
  157   1HD   LYS  19          2HD       LYS  19  13.181  -7.437   3.907
  158   2HD   LYS  19          1HD       LYS  19  12.173  -6.404   4.923
  159   1HE   LYS  19          2HE       LYS  19  13.339  -9.094   5.609
  160   2HE   LYS  19          1HE       LYS  19  13.712  -7.538   6.348
  161   1HZ   LYS  19          1HZ       LYS  19  11.412  -9.287   6.759
  162   2HZ   LYS  19          2HZ       LYS  19  11.129  -7.623   6.824
  163   3HZ   LYS  19          3HZ       LYS  19  12.254  -8.329   7.870
  164    H    MET  20           H        MET  20   9.617 -11.342   2.973
  165    HA   MET  20           HA       MET  20   6.872 -10.846   2.516
  166   1HB   MET  20          2HB       MET  20   7.839 -12.658   4.697
  167   2HB   MET  20          1HB       MET  20   6.460 -12.854   3.626
  168   1HG   MET  20          2HG       MET  20   8.849 -12.801   2.063
  169   2HG   MET  20          1HG       MET  20   9.044 -13.955   3.379
  170   1HE   MET  20          1HE       MET  20   8.449 -13.360   0.165
  171   2HE   MET  20          2HE       MET  20   6.777 -13.727  -0.275
  172   3HE   MET  20          3HE       MET  20   8.017 -14.975  -0.396
  173    H    PHE  21           H        PHE  21   5.222 -10.324   3.966
  174    HA   PHE  21           HA       PHE  21   5.726  -9.518   6.652
  175   1HB   PHE  21          2HB       PHE  21   6.009  -7.294   6.473
  176   2HB   PHE  21          1HB       PHE  21   6.378  -7.596   4.781
  177    HD1  PHE  21           1HD      PHE  21   3.960  -7.958   3.414
  178    HD2  PHE  21           2HD      PHE  21   4.704  -5.455   6.776
  179    HE1  PHE  21           1HE      PHE  21   2.076  -6.518   2.756
  180    HE2  PHE  21           2HE      PHE  21   2.822  -4.014   6.125
  181    HZ   PHE  21           HZ       PHE  21   1.503  -4.545   4.114
  182    H    THR  22           H        THR  22   3.631  -8.148   7.391
  183    HA   THR  22           HA       THR  22   1.375  -9.792   6.509
  184    HB   THR  22           HB       THR  22   0.468  -8.344   8.664
  185    HG1  THR  22           1HG      THR  22   3.178  -9.006   9.162
  186   1HG2  THR  22          1HG2      THR  22  -0.003 -10.529   8.928
  187   2HG2  THR  22          2HG2      THR  22   1.424 -10.467   9.961
  188   3HG2  THR  22          3HG2      THR  22   1.560 -11.057   8.305
  189    H    GLY  23           H        GLY  23  -0.257  -9.015   5.360
  190   1HA   GLY  23          2HA       GLY  23  -0.672  -6.094   5.269
  191   2HA   GLY  23          1HA       GLY  23  -0.628  -7.046   3.791
  192    H    LEU  24           H        LEU  24  -2.842  -5.842   3.748
  193    HA   LEU  24           HA       LEU  24  -4.828  -7.625   4.973
  194   1HB   LEU  24          2HB       LEU  24  -6.230  -5.324   4.510
  195   2HB   LEU  24          1HB       LEU  24  -5.576  -5.835   6.048
  196    HG   LEU  24           HG       LEU  24  -5.103  -3.481   5.576
  197   1HD1  LEU  24          1HD1      LEU  24  -3.242  -5.458   6.378
  198   2HD1  LEU  24          2HD1      LEU  24  -3.327  -3.763   6.856
  199   3HD1  LEU  24          3HD1      LEU  24  -2.375  -4.235   5.449
  200   1HD2  LEU  24          1HD2      LEU  24  -4.248  -2.705   3.668
  201   2HD2  LEU  24          2HD2      LEU  24  -4.675  -4.276   2.996
  202   3HD2  LEU  24          3HD2      LEU  24  -3.038  -3.982   3.579
  203    H    ILE  25           H        ILE  25  -6.008  -8.729   3.586
  204    HA   ILE  25           HA       ILE  25  -6.180  -7.783   0.806
  205    HB   ILE  25           HB       ILE  25  -6.727 -10.576   1.805
  206   1HG1  ILE  25          2HG1      ILE  25  -4.375  -9.875   2.219
  207   2HG1  ILE  25          1HG1      ILE  25  -4.509 -11.184   1.049
  208   1HG2  ILE  25          1HG2      ILE  25  -5.980  -9.852  -0.991
  209   2HG2  ILE  25          2HG2      ILE  25  -7.640  -9.620  -0.442
  210   3HG2  ILE  25          3HG2      ILE  25  -6.912 -11.225  -0.394
  211   1HD1  ILE  25          1HD1      ILE  25  -4.535  -8.572  -0.207
  212   2HD1  ILE  25          2HD1      ILE  25  -3.530  -9.982  -0.539
  213   3HD1  ILE  25          3HD1      ILE  25  -3.078  -8.859   0.743
  214    H    ASN  26           H        ASN  26  -8.047  -6.940   0.196
  215    HA   ASN  26           HA       ASN  26 -10.497  -7.754   1.616
  216   1HB   ASN  26          2HB       ASN  26 -11.278  -5.474   0.450
  217   2HB   ASN  26          1HB       ASN  26 -10.514  -5.512   2.036
  218   1HD2  ASN  26          1HD2      ASN  26  -9.712  -5.292  -1.409
  219   2HD2  ASN  26          2HD2      ASN  26  -8.403  -4.181  -1.209
  220    H    THR  27           H        THR  27 -11.353  -9.338   0.409
  221    HA   THR  27           HA       THR  27 -11.147  -9.817  -2.271
  222    HB   THR  27           HB       THR  27 -12.196 -11.322  -0.603
  223    HG1  THR  27           1HG      THR  27 -12.717 -12.139  -2.472
  224   1HG2  THR  27          1HG2      THR  27 -14.885 -10.260  -1.006
  225   2HG2  THR  27          2HG2      THR  27 -13.857  -9.266   0.025
  226   3HG2  THR  27          3HG2      THR  27 -14.136 -10.959   0.430
  227    H    GLY  28           H        GLY  28 -13.045  -7.354  -0.733
  228   1HA   GLY  28          2HA       GLY  28 -14.263  -6.687  -3.339
  229   2HA   GLY  28          1HA       GLY  28 -14.981  -6.288  -1.785
  230    H    ALA  29           H        ALA  29 -12.021  -5.717  -3.679
  231    HA   ALA  29           HA       ALA  29 -11.574  -3.202  -2.300
  232   1HB   ALA  29          1HB       ALA  29  -9.803  -3.589  -4.525
  233   2HB   ALA  29          2HB       ALA  29  -9.920  -5.071  -3.573
  234   3HB   ALA  29          3HB       ALA  29  -9.445  -3.562  -2.798
  235    H    ASP  30           H        ASP  30 -11.278  -1.210  -3.421
  236    HA   ASP  30           HA       ASP  30 -12.421  -0.972  -6.084
  237   1HB   ASP  30          2HB       ASP  30 -13.920   0.905  -5.291
  238   2HB   ASP  30          1HB       ASP  30 -14.410  -0.714  -4.802
  239    H    VAL  31           H        VAL  31 -10.854   0.532  -3.312
  240    HA   VAL  31           HA       VAL  31  -9.473   2.340  -5.171
  241    HB   VAL  31           HB       VAL  31 -11.215   3.513  -3.776
  242   1HG1  VAL  31          1HG1      VAL  31 -10.850   2.189  -1.716
  243   2HG1  VAL  31          2HG1      VAL  31 -10.785   3.932  -1.446
  244   3HG1  VAL  31          3HG1      VAL  31  -9.293   2.993  -1.513
  245   1HG2  VAL  31          1HG2      VAL  31  -9.203   5.120  -2.844
  246   2HG2  VAL  31          2HG2      VAL  31  -9.863   5.147  -4.479
  247   3HG2  VAL  31          3HG2      VAL  31  -8.406   4.216  -4.132
  248    H    THR  32           H        THR  32  -7.335   2.254  -5.068
  249    HA   THR  32           HA       THR  32  -6.047   0.534  -3.132
  250    HB   THR  32           HB       THR  32  -4.155   1.848  -4.806
  251    HG1  THR  32           1HG      THR  32  -5.341   2.240  -6.486
  252   1HG2  THR  32          1HG2      THR  32  -5.046  -0.840  -5.571
  253   2HG2  THR  32          2HG2      THR  32  -4.492  -0.654  -3.907
  254   3HG2  THR  32          3HG2      THR  32  -3.427  -0.222  -5.246
  255    H    ILE  33           H        ILE  33  -5.608   1.313  -1.237
  256    HA   ILE  33           HA       ILE  33  -4.177   3.869  -1.049
  257    HB   ILE  33           HB       ILE  33  -6.043   3.200   1.155
  258   1HG1  ILE  33          2HG1      ILE  33  -7.419   2.952  -0.896
  259   2HG1  ILE  33          1HG1      ILE  33  -7.917   4.323   0.090
  260   1HG2  ILE  33          1HG2      ILE  33  -4.571   5.052   1.459
  261   2HG2  ILE  33          2HG2      ILE  33  -6.200   5.687   1.232
  262   3HG2  ILE  33          3HG2      ILE  33  -5.038   5.746  -0.093
  263   1HD1  ILE  33          1HD1      ILE  33  -5.999   5.263  -1.751
  264   2HD1  ILE  33          2HD1      ILE  33  -7.721   5.632  -1.676
  265   3HD1  ILE  33          3HD1      ILE  33  -7.151   4.270  -2.641
  266    H    ILE  34           H        ILE  34  -2.501   3.884   0.325
  267    HA   ILE  34           HA       ILE  34  -2.218   1.705   2.253
  268    HB   ILE  34           HB       ILE  34  -0.804   1.724  -0.155
  269   1HG1  ILE  34          2HG1      ILE  34   0.486  -0.125   0.923
  270   2HG1  ILE  34          1HG1      ILE  34  -0.224   0.332   2.465
  271   1HG2  ILE  34          1HG2      ILE  34   0.935   2.719   2.093
  272   2HG2  ILE  34          2HG2      ILE  34   0.699   3.448   0.500
  273   3HG2  ILE  34          3HG2      ILE  34   1.574   1.924   0.651
  274   1HD1  ILE  34          1HD1      ILE  34  -1.510  -1.460   1.729
  275   2HD1  ILE  34          2HD1      ILE  34  -1.557  -0.864   0.069
  276   3HD1  ILE  34          3HD1      ILE  34  -2.477  -0.043   1.330
  277    H    LYS  35           H        LYS  35  -2.097   2.708   4.129
  278    HA   LYS  35           HA       LYS  35  -1.706   5.339   4.628
  279   1HB   LYS  35          2HB       LYS  35  -0.748   4.371   6.942
  280   2HB   LYS  35          1HB       LYS  35  -2.445   4.364   6.512
  281   1HG   LYS  35          2HG       LYS  35  -1.661   2.245   7.488
  282   2HG   LYS  35          1HG       LYS  35  -2.372   2.077   5.885
  283   1HD   LYS  35          2HD       LYS  35  -0.033   2.127   4.958
  284   2HD   LYS  35          1HD       LYS  35   0.546   2.020   6.624
  285   1HE   LYS  35          2HE       LYS  35   0.010  -0.155   6.801
  286   2HE   LYS  35          1HE       LYS  35  -1.512   0.054   5.933
  287   1HZ   LYS  35          1HZ       LYS  35   0.780  -1.134   4.985
  288   2HZ   LYS  35          2HZ       LYS  35   0.715   0.358   4.190
  289   3HZ   LYS  35          3HZ       LYS  35  -0.588  -0.715   4.085
  290    H    LEU  36           H        LEU  36   0.001   6.451   5.818
  291    HA   LEU  36           HA       LEU  36   2.428   6.344   4.326
  292   1HB   LEU  36          2HB       LEU  36   1.074   8.203   5.924
  293   2HB   LEU  36          1HB       LEU  36   2.608   7.930   6.727
  294    HG   LEU  36           HG       LEU  36   3.088   8.266   3.923
  295   1HD1  LEU  36          1HD1      LEU  36   0.796   9.554   4.471
  296   2HD1  LEU  36          2HD1      LEU  36   1.979  10.117   3.291
  297   3HD1  LEU  36          3HD1      LEU  36   1.963  10.798   4.918
  298   1HD2  LEU  36          1HD2      LEU  36   4.827   9.439   4.715
  299   2HD2  LEU  36          2HD2      LEU  36   4.300   8.878   6.301
  300   3HD2  LEU  36          3HD2      LEU  36   3.800  10.465   5.717
  301    H    GLU  37           H        GLU  37   1.402   5.109   7.407
  302    HA   GLU  37           HA       GLU  37   3.803   4.813   8.745
  303   1HB   GLU  37          2HB       GLU  37   1.352   3.060   8.723
  304   2HB   GLU  37          1HB       GLU  37   2.702   2.802   9.820
  305   1HG   GLU  37          2HG       GLU  37   2.323   4.827  10.938
  306   2HG   GLU  37          1HG       GLU  37   1.265   5.427   9.663
  307    H    ASP  38           H        ASP  38   2.703   3.144   5.927
  308    HA   ASP  38           HA       ASP  38   4.912   1.212   6.193
  309   1HB   ASP  38          2HB       ASP  38   2.171   0.880   5.437
  310   2HB   ASP  38          1HB       ASP  38   3.188   0.456   4.065
  311    H    TRP  39           H        TRP  39   4.977   4.034   5.157
  312    HA   TRP  39           HA       TRP  39   5.735   3.538   2.366
  313   1HB   TRP  39          2HB       TRP  39   4.643   5.469   2.027
  314   2HB   TRP  39          1HB       TRP  39   4.514   5.766   3.757
  315    HD1  TRP  39           HD       TRP  39   6.549   6.725   0.693
  316    HE1  TRP  39           1HE      TRP  39   8.139   8.653   1.305
  317    HE3  TRP  39           3HE      TRP  39   5.848   6.790   5.758
  318    HZ2  TRP  39           2HZ      TRP  39   8.973  10.030   3.626
  319    HZ3  TRP  39           3HZ      TRP  39   7.075   8.443   7.099
  320    HH2  TRP  39           HH       TRP  39   8.608  10.030   6.053
  321    HA   PRO  40           HA       PRO  40  10.088   3.625   3.064
  322   1HB   PRO  40          2HB       PRO  40  10.188   5.607   0.844
  323   2HB   PRO  40          1HB       PRO  40  11.075   4.090   1.041
  324   1HG   PRO  40          2HG       PRO  40   9.034   4.259  -0.657
  325   2HG   PRO  40          1HG       PRO  40   9.299   2.809   0.319
  326   1HD   PRO  40          2HD       PRO  40   7.279   4.969   0.656
  327   2HD   PRO  40          1HD       PRO  40   7.132   3.230   0.967
  328    HA   PRO  41           HA       PRO  41  10.143   7.547   5.387
  329   1HB   PRO  41          2HB       PRO  41  11.909   6.733   7.265
  330   2HB   PRO  41          1HB       PRO  41  10.195   6.308   7.328
  331   1HG   PRO  41          2HG       PRO  41  12.518   4.676   6.377
  332   2HG   PRO  41          1HG       PRO  41  11.140   4.183   7.380
  333   1HD   PRO  41          2HD       PRO  41  11.294   3.673   4.710
  334   2HD   PRO  41          1HD       PRO  41   9.757   3.912   5.562
  335    H    ASN  42           H        ASN  42  12.466   5.844   3.609
  336    HA   ASN  42           HA       ASN  42  14.819   7.262   4.116
  337   1HB   ASN  42          2HB       ASN  42  14.335   5.124   2.667
  338   2HB   ASN  42          1HB       ASN  42  14.155   6.293   1.363
  339   1HD2  ASN  42          1HD2      ASN  42  16.241   4.205   2.505
  340   2HD2  ASN  42          2HD2      ASN  42  17.738   5.011   2.202
  341    H    TRP  43           H        TRP  43  12.157   7.905   1.866
  342    HA   TRP  43           HA       TRP  43  13.286  10.600   1.463
  343   1HB   TRP  43          2HB       TRP  43  12.579  10.588  -0.837
  344   2HB   TRP  43          1HB       TRP  43  13.536   9.138  -0.552
  345    HD1  TRP  43           HD       TRP  43   9.774  10.102  -0.630
  346    HE1  TRP  43           1HE      TRP  43   8.473   8.121  -1.630
  347    HE3  TRP  43           3HE      TRP  43  13.640   6.814  -1.253
  348    HZ2  TRP  43           2HZ      TRP  43   9.004   5.528  -2.552
  349    HZ3  TRP  43           3HZ      TRP  43  13.151   4.597  -2.205
  350    HH2  TRP  43           HH       TRP  43  10.876   3.973  -2.840
  351    HA   PRO  44           HA       PRO  44   9.341  12.108   2.775
  352   1HB   PRO  44          2HB       PRO  44   9.324  14.547   1.617
  353   2HB   PRO  44          1HB       PRO  44  10.381  14.157   2.979
  354   1HG   PRO  44          2HG       PRO  44  11.017  14.263   0.055
  355   2HG   PRO  44          1HG       PRO  44  11.964  14.865   1.429
  356   1HD   PRO  44          2HD       PRO  44  12.491  12.504   0.180
  357   2HD   PRO  44          1HD       PRO  44  12.835  12.791   1.898
  358    H    ILE  45           H        ILE  45   7.219  12.394   2.068
  359    HA   ILE  45           HA       ILE  45   6.759  12.227  -0.831
  360    HB   ILE  45           HB       ILE  45   4.808  10.674  -0.262
  361   1HG1  ILE  45          2HG1      ILE  45   5.551   9.202   1.788
  362   2HG1  ILE  45          1HG1      ILE  45   6.325  10.687   2.319
  363   1HG2  ILE  45          1HG2      ILE  45   6.554   9.757  -1.506
  364   2HG2  ILE  45          2HG2      ILE  45   6.378   8.669  -0.129
  365   3HG2  ILE  45          3HG2      ILE  45   7.688   9.853  -0.157
  366   1HD1  ILE  45          1HD1      ILE  45   3.468  10.734   1.497
  367   2HD1  ILE  45          2HD1      ILE  45   4.329  11.760   2.645
  368   3HD1  ILE  45          3HD1      ILE  45   3.918  10.102   3.076
  369    H    THR  46           H        THR  46   4.315  12.403  -1.262
  370    HA   THR  46           HA       THR  46   3.446  14.944  -0.376
  371    HB   THR  46           HB       THR  46   1.223  13.948  -1.529
  372    HG1  THR  46           1HG      THR  46   2.633  11.903  -1.693
  373   1HG2  THR  46          1HG2      THR  46   3.588  14.600  -3.244
  374   2HG2  THR  46          2HG2      THR  46   2.735  15.828  -2.311
  375   3HG2  THR  46          3HG2      THR  46   1.882  14.912  -3.555
  376    H    ASP  47           H        ASP  47   0.880  15.004   0.299
  377    HA   ASP  47           HA       ASP  47  -0.522  13.422   1.846
  378   1HB   ASP  47          2HB       ASP  47   1.317  12.606   3.170
  379   2HB   ASP  47          1HB       ASP  47   1.897  14.246   3.464
  380    H    THR  48           H        THR  48   1.437  16.217   2.685
  381    HA   THR  48           HA       THR  48  -0.991  17.857   2.925
  382    HB   THR  48           HB       THR  48  -0.317  17.459   5.170
  383    HG1  THR  48           1HG      THR  48   0.855  19.937   4.460
  384   1HG2  THR  48          1HG2      THR  48   2.278  18.549   5.364
  385   2HG2  THR  48          2HG2      THR  48   2.312  17.301   4.118
  386   3HG2  THR  48          3HG2      THR  48   1.741  16.912   5.740
  387    H    LEU  49           H        LEU  49  -0.913  19.130   1.243
  388    HA   LEU  49           HA       LEU  49   1.611  20.312   0.359
  389   1HB   LEU  49          2HB       LEU  49   0.273  19.201  -1.304
  390   2HB   LEU  49          1HB       LEU  49  -1.122  20.165  -0.905
  391    HG   LEU  49           HG       LEU  49   0.030  22.163  -1.803
  392   1HD1  LEU  49          1HD1      LEU  49   2.332  20.752  -1.436
  393   2HD1  LEU  49          2HD1      LEU  49   2.186  22.204  -2.426
  394   3HD1  LEU  49          3HD1      LEU  49   2.098  20.611  -3.178
  395   1HD2  LEU  49          1HD2      LEU  49  -1.088  20.041  -3.222
  396   2HD2  LEU  49          2HD2      LEU  49   0.354  20.498  -4.129
  397   3HD2  LEU  49          3HD2      LEU  49  -0.882  21.704  -3.771
  398    H    THR  50           H        THR  50   1.132  22.683  -0.599
  399    HA   THR  50           HA       THR  50   0.065  24.208   1.670
  400    HB   THR  50           HB       THR  50   1.717  25.556  -0.392
  401    HG1  THR  50           1HG      THR  50   2.847  23.622  -0.157
  402   1HG2  THR  50          1HG2      THR  50   2.535  25.713   2.393
  403   2HG2  THR  50          2HG2      THR  50   0.871  26.230   2.119
  404   3HG2  THR  50          3HG2      THR  50   2.190  26.994   1.232
  405    H    ASN  51           H        ASN  51  -1.713  25.375   1.431
  406    HA   ASN  51           HA       ASN  51  -2.518  26.272  -1.245
  407   1HB   ASN  51          2HB       ASN  51  -3.835  24.243  -0.435
  408   2HB   ASN  51          1HB       ASN  51  -4.464  25.273   0.841
  409   1HD2  ASN  51          1HD2      ASN  51  -6.048  23.997  -1.079
  410   2HD2  ASN  51          2HD2      ASN  51  -6.802  25.208  -2.054
  411    H    LEU  52           H        LEU  52  -1.532  28.271  -0.527
  412    HA   LEU  52           HA       LEU  52  -2.742  29.572   1.754
  413   1HB   LEU  52          2HB       LEU  52  -0.472  30.171  -0.076
  414   2HB   LEU  52          1HB       LEU  52  -1.206  31.480   0.810
  415    HG   LEU  52           HG       LEU  52   0.608  30.857   2.127
  416   1HD1  LEU  52          1HD1      LEU  52  -1.456  31.059   3.414
  417   2HD1  LEU  52          2HD1      LEU  52  -0.288  29.967   4.156
  418   3HD1  LEU  52          3HD1      LEU  52  -1.682  29.313   3.296
  419   1HD2  LEU  52          1HD2      LEU  52   0.568  28.510   0.802
  420   2HD2  LEU  52          2HD2      LEU  52  -0.018  27.999   2.385
  421   3HD2  LEU  52          3HD2      LEU  52   1.541  28.813   2.241
  422    H    ARG  53           H        ARG  53  -4.596  30.571   1.595
  423    HA   ARG  53           HA       ARG  53  -5.578  31.512  -0.950
  424   1HB   ARG  53          2HB       ARG  53  -6.734  30.961   1.687
  425   2HB   ARG  53          1HB       ARG  53  -7.428  32.356   0.879
  426   1HG   ARG  53          2HG       ARG  53  -8.377  31.108  -0.760
  427   2HG   ARG  53          1HG       ARG  53  -7.109  29.882  -0.714
  428   1HD   ARG  53          2HD       ARG  53  -8.425  29.816   1.785
  429   2HD   ARG  53          1HD       ARG  53  -9.673  29.870   0.540
  430    HE   ARG  53           HE       ARG  53  -7.525  27.926   0.208
  431   1HH1  ARG  53          1HH1      ARG  53 -10.837  28.554   1.132
  432   2HH1  ARG  53          2HH1      ARG  53 -11.321  26.899   0.978
  433   1HH2  ARG  53          1HH2      ARG  53  -8.166  25.752   0.010
  434   2HH2  ARG  53          2HH2      ARG  53  -9.808  25.311   0.344
  435    H    GLY  54           H        GLY  54  -3.305  32.819   0.777
  436   1HA   GLY  54          2HA       GLY  54  -2.492  34.994   0.839
  437   2HA   GLY  54          1HA       GLY  54  -3.951  35.520   0.014
  438    H    ILE  55           H        ILE  55  -5.942  35.099   1.434
  439    HA   ILE  55           HA       ILE  55  -5.441  36.330   4.043
  440    HB   ILE  55           HB       ILE  55  -7.981  36.768   3.936
  441   1HG1  ILE  55          2HG1      ILE  55  -7.389  36.132   1.042
  442   2HG1  ILE  55          1HG1      ILE  55  -8.589  35.371   2.075
  443   1HG2  ILE  55          1HG2      ILE  55  -6.389  38.295   1.902
  444   2HG2  ILE  55          2HG2      ILE  55  -6.042  38.404   3.628
  445   3HG2  ILE  55          3HG2      ILE  55  -7.624  38.889   3.014
  446   1HD1  ILE  55          1HD1      ILE  55  -9.984  36.749   1.002
  447   2HD1  ILE  55          2HD1      ILE  55  -8.695  37.863   0.547
  448   3HD1  ILE  55          3HD1      ILE  55  -9.398  37.941   2.163
  449    H    GLY  56           H        GLY  56  -6.201  33.487   2.453
  450   1HA   GLY  56          2HA       GLY  56  -7.343  32.332   4.925
  451   2HA   GLY  56          1HA       GLY  56  -7.830  31.812   3.320
  452    H    GLN  57           H        GLN  57  -4.652  32.361   4.878
  453    HA   GLN  57           HA       GLN  57  -3.166  30.541   3.585
  454   1HB   GLN  57          2HB       GLN  57  -1.786  30.345   5.644
  455   2HB   GLN  57          1HB       GLN  57  -2.202  32.006   5.242
  456   1HG   GLN  57          2HG       GLN  57  -4.206  31.543   6.884
  457   2HG   GLN  57          1HG       GLN  57  -3.106  30.316   7.507
  458   1HE2  GLN  57          1HE2      GLN  57  -1.489  30.915   8.813
  459   2HE2  GLN  57          2HE2      GLN  57  -1.101  32.548   9.221
  460    H    SER  58           H        SER  58  -4.168  28.675   2.981
  461    HA   SER  58           HA       SER  58  -4.827  26.764   5.122
  462   1HB   SER  58          2HB       SER  58  -6.753  27.404   3.684
  463   2HB   SER  58          1HB       SER  58  -5.877  26.789   2.283
  464    HG   SER  58           HG       SER  58  -6.478  24.854   2.818
  465    H    ASN  59           H        ASN  59  -4.693  24.408   4.139
  466    HA   ASN  59           HA       ASN  59  -2.060  24.167   2.840
  467   1HB   ASN  59          2HB       ASN  59  -3.356  22.502   4.989
  468   2HB   ASN  59          1HB       ASN  59  -2.008  21.897   4.032
  469   1HD2  ASN  59          1HD2      ASN  59  -0.569  21.784   5.698
  470   2HD2  ASN  59          2HD2      ASN  59   0.062  23.174   6.505
  471    H    ASN  60           H        ASN  60  -2.002  23.155   0.922
  472    HA   ASN  60           HA       ASN  60  -4.374  22.169  -0.282
  473   1HB   ASN  60          2HB       ASN  60  -1.753  22.846  -1.161
  474   2HB   ASN  60          1HB       ASN  60  -2.085  21.203  -1.687
  475   1HD2  ASN  60          1HD2      ASN  60  -2.813  21.130  -3.663
  476   2HD2  ASN  60          2HD2      ASN  60  -3.893  22.261  -4.398
  477    HA   PRO  61           HA       PRO  61  -3.940  17.841   0.688
  478   1HB   PRO  61          2HB       PRO  61  -5.757  16.921  -0.950
  479   2HB   PRO  61          1HB       PRO  61  -6.178  18.277   0.107
  480   1HG   PRO  61          2HG       PRO  61  -5.546  18.279  -2.816
  481   2HG   PRO  61          1HG       PRO  61  -6.705  19.277  -1.918
  482   1HD   PRO  61          2HD       PRO  61  -3.992  19.949  -2.626
  483   2HD   PRO  61          1HD       PRO  61  -5.139  20.905  -1.659
  484    H    LYS  62           H        LYS  62  -2.245  16.449   0.286
  485    HA   LYS  62           HA       LYS  62  -2.116  15.251  -2.367
  486   1HB   LYS  62          2HB       LYS  62   0.378  16.262  -1.002
  487   2HB   LYS  62          1HB       LYS  62   0.303  15.351  -2.501
  488   1HG   LYS  62          2HG       LYS  62  -0.949  17.169  -3.548
  489   2HG   LYS  62          1HG       LYS  62  -0.816  18.095  -2.051
  490   1HD   LYS  62          2HD       LYS  62   1.019  18.943  -3.101
  491   2HD   LYS  62          1HD       LYS  62   1.776  17.493  -2.446
  492   1HE   LYS  62          2HE       LYS  62   2.418  17.488  -4.686
  493   2HE   LYS  62          1HE       LYS  62   1.053  16.373  -4.640
  494   1HZ   LYS  62          1HZ       LYS  62   0.576  17.688  -6.453
  495   2HZ   LYS  62          2HZ       LYS  62   1.179  19.099  -5.743
  496   3HZ   LYS  62          3HZ       LYS  62  -0.305  18.465  -5.235
  497    H    GLN  63           H        GLN  63  -0.694  13.289  -2.323
  498    HA   GLN  63           HA       GLN  63  -0.152  12.073   0.210
  499   1HB   GLN  63          2HB       GLN  63  -1.762  10.077  -0.852
  500   2HB   GLN  63          1HB       GLN  63  -2.138  11.096   0.525
  501   1HG   GLN  63          2HG       GLN  63  -2.800  12.376  -1.994
  502   2HG   GLN  63          1HG       GLN  63  -3.618  10.832  -1.782
  503   1HE2  GLN  63          1HE2      GLN  63  -5.605  11.223  -1.127
  504   2HE2  GLN  63          2HE2      GLN  63  -6.063  12.315   0.130
  505    H    SER  64           H        SER  64   1.223  10.319   0.042
  506    HA   SER  64           HA       SER  64   2.854  10.177  -2.216
  507   1HB   SER  64          2HB       SER  64   3.162   9.262   0.266
  508   2HB   SER  64          1HB       SER  64   2.706   7.753  -0.516
  509    HG   SER  64           HG       SER  64   4.457   7.844  -1.785
  510    H    SER  65           H        SER  65   3.134   8.733  -3.856
  511    HA   SER  65           HA       SER  65   0.804   7.048  -4.485
  512   1HB   SER  65          2HB       SER  65   2.623   8.546  -6.385
  513   2HB   SER  65          1HB       SER  65   1.311   7.470  -6.872
  514    HG   SER  65           HG       SER  65   1.040   9.837  -5.325
  515    H    LYS  66           H        LYS  66   4.195   7.123  -4.025
  516    HA   LYS  66           HA       LYS  66   5.602   5.490  -5.407
  517   1HB   LYS  66          2HB       LYS  66   6.201   6.106  -3.098
  518   2HB   LYS  66          1HB       LYS  66   5.138   4.843  -2.495
  519   1HG   LYS  66          2HG       LYS  66   7.450   4.113  -2.460
  520   2HG   LYS  66          1HG       LYS  66   6.514   3.153  -3.606
  521   1HD   LYS  66          2HD       LYS  66   7.707   5.512  -4.829
  522   2HD   LYS  66          1HD       LYS  66   8.909   4.433  -4.119
  523   1HE   LYS  66          2HE       LYS  66   8.676   2.977  -5.780
  524   2HE   LYS  66          1HE       LYS  66   6.928   2.922  -5.555
  525   1HZ   LYS  66          1HZ       LYS  66   8.517   4.601  -7.366
  526   2HZ   LYS  66          2HZ       LYS  66   7.037   5.189  -6.800
  527   3HZ   LYS  66          3HZ       LYS  66   7.092   3.741  -7.671
  528    H    TYR  67           H        TYR  67   5.354   3.742  -6.611
  529    HA   TYR  67           HA       TYR  67   3.111   2.046  -6.414
  530   1HB   TYR  67          2HB       TYR  67   5.689   1.861  -7.953
  531   2HB   TYR  67          1HB       TYR  67   4.510   0.549  -7.976
  532    HD1  TYR  67           1HD      TYR  67   2.464   0.734  -9.151
  533    HD2  TYR  67           2HD      TYR  67   5.120   4.045  -8.950
  534    HE1  TYR  67           1HE      TYR  67   1.193   1.847 -10.924
  535    HE2  TYR  67           2HE      TYR  67   3.858   5.174 -10.732
  536    HH   TYR  67           HH       TYR  67   1.642   5.139 -11.727
  537    H    LEU  68           H        LEU  68   2.775   0.786  -4.747
  538    HA   LEU  68           HA       LEU  68   4.977  -0.474  -3.338
  539   1HB   LEU  68          2HB       LEU  68   2.732   0.475  -2.356
  540   2HB   LEU  68          1HB       LEU  68   2.101  -1.100  -2.802
  541    HG   LEU  68           HG       LEU  68   3.765  -2.191  -1.378
  542   1HD1  LEU  68          1HD1      LEU  68   4.812   0.564  -1.206
  543   2HD1  LEU  68          2HD1      LEU  68   5.662  -0.981  -1.180
  544   3HD1  LEU  68          3HD1      LEU  68   4.856  -0.392   0.275
  545   1HD2  LEU  68          1HD2      LEU  68   2.648  -0.163   0.457
  546   2HD2  LEU  68          2HD2      LEU  68   2.557  -1.923   0.514
  547   3HD2  LEU  68          3HD2      LEU  68   1.499  -1.020  -0.570
  548    H    THR  69           H        THR  69   5.851  -2.231  -4.139
  549    HA   THR  69           HA       THR  69   4.334  -3.953  -5.898
  550    HB   THR  69           HB       THR  69   6.700  -5.198  -5.758
  551    HG1  THR  69           1HG      THR  69   8.310  -3.574  -5.517
  552   1HG2  THR  69          1HG2      THR  69   7.490  -3.886  -7.634
  553   2HG2  THR  69          2HG2      THR  69   6.295  -2.637  -7.286
  554   3HG2  THR  69          3HG2      THR  69   5.771  -4.240  -7.802
  555    H    TRP  70           H        TRP  70   3.285  -5.667  -5.248
  556    HA   TRP  70           HA       TRP  70   4.137  -7.033  -2.806
  557   1HB   TRP  70          2HB       TRP  70   1.891  -5.560  -2.858
  558   2HB   TRP  70          1HB       TRP  70   1.249  -7.073  -3.478
  559    HD1  TRP  70           HD       TRP  70   3.955  -7.816  -1.075
  560    HE1  TRP  70           1HE      TRP  70   2.986  -8.481   1.209
  561    HE3  TRP  70           3HE      TRP  70  -0.885  -6.334  -1.792
  562    HZ2  TRP  70           2HZ      TRP  70   0.497  -8.383   2.538
  563    HZ3  TRP  70           3HZ      TRP  70  -2.498  -6.654   0.038
  564    HH2  TRP  70           HH       TRP  70  -1.819  -7.659   2.158
  565    H    ARG  71           H        ARG  71   4.316  -9.173  -2.974
  566    HA   ARG  71           HA       ARG  71   2.955 -10.623  -5.063
  567   1HB   ARG  71          2HB       ARG  71   5.478 -11.616  -5.454
  568   2HB   ARG  71          1HB       ARG  71   4.653 -10.494  -6.511
  569   1HG   ARG  71          2HG       ARG  71   5.959  -9.051  -4.405
  570   2HG   ARG  71          1HG       ARG  71   7.094 -10.144  -5.191
  571   1HD   ARG  71          2HD       ARG  71   6.864  -7.792  -6.151
  572   2HD   ARG  71          1HD       ARG  71   6.795  -9.141  -7.279
  573    HE   ARG  71           HE       ARG  71   4.529  -7.489  -6.408
  574   1HH1  ARG  71          1HH1      ARG  71   5.833  -9.944  -8.534
  575   2HH1  ARG  71          2HH1      ARG  71   4.483  -9.894  -9.615
  576   1HH2  ARG  71          1HH2      ARG  71   2.760  -7.438  -7.831
  577   2HH2  ARG  71          2HH2      ARG  71   2.741  -8.476  -9.216
  578    H    ASP  72           H        ASP  72   2.820 -12.816  -4.662
  579    HA   ASP  72           HA       ASP  72   3.323 -13.576  -1.935
  580   1HB   ASP  72          2HB       ASP  72   1.266 -14.277  -3.196
  581   2HB   ASP  72          1HB       ASP  72   2.292 -15.282  -4.216
  582    H    LYS  73           H        LYS  73   4.455 -15.600  -1.445
  583    HA   LYS  73           HA       LYS  73   7.065 -15.662  -1.931
  584   1HB   LYS  73          2HB       LYS  73   5.352 -17.276  -0.632
  585   2HB   LYS  73          1HB       LYS  73   5.836 -18.339  -1.936
  586   1HG   LYS  73          2HG       LYS  73   8.238 -17.375  -1.123
  587   2HG   LYS  73          1HG       LYS  73   7.332 -17.400   0.390
  588   1HD   LYS  73          2HD       LYS  73   6.873 -19.823  -1.095
  589   2HD   LYS  73          1HD       LYS  73   8.604 -19.554  -0.881
  590   1HE   LYS  73          2HE       LYS  73   8.512 -19.934   1.331
  591   2HE   LYS  73          1HE       LYS  73   6.992 -19.060   1.516
  592   1HZ   LYS  73          1HZ       LYS  73   6.828 -21.462   2.005
  593   2HZ   LYS  73          2HZ       LYS  73   7.212 -21.799   0.392
  594   3HZ   LYS  73          3HZ       LYS  73   5.788 -20.965   0.767
  595    H    GLU  74           H        GLU  74   4.637 -16.823  -4.170
  596    HA   GLU  74           HA       GLU  74   6.488 -18.173  -5.891
  597   1HB   GLU  74          2HB       GLU  74   3.854 -18.382  -5.638
  598   2HB   GLU  74          1HB       GLU  74   3.872 -17.164  -6.905
  599   1HG   GLU  74          2HG       GLU  74   3.720 -19.190  -8.040
  600   2HG   GLU  74          1HG       GLU  74   5.419 -18.739  -8.170
  601    H    ASN  75           H        ASN  75   6.543 -15.093  -5.148
  602    HA   ASN  75           HA       ASN  75   7.379 -13.222  -6.110
  603   1HB   ASN  75          2HB       ASN  75   8.866 -15.072  -7.201
  604   2HB   ASN  75          1HB       ASN  75   7.938 -14.709  -8.654
  605   1HD2  ASN  75          1HD2      ASN  75   8.796 -13.251  -9.928
  606   2HD2  ASN  75          2HD2      ASN  75   9.863 -11.977  -9.453
  607    H    ASN  76           H        ASN  76   4.656 -13.415  -6.202
  608    HA   ASN  76           HA       ASN  76   3.955 -11.565  -8.166
  609   1HB   ASN  76          2HB       ASN  76   2.498 -13.011  -9.628
  610   2HB   ASN  76          1HB       ASN  76   4.230 -13.232  -9.851
  611   1HD2  ASN  76          1HD2      ASN  76   4.884 -15.247  -9.954
  612   2HD2  ASN  76          2HD2      ASN  76   4.089 -16.618  -9.266
  613    H    SER  77           H        SER  77   1.890 -10.764  -7.920
  614    HA   SER  77           HA       SER  77  -0.307 -12.055  -6.843
  615   1HB   SER  77          2HB       SER  77   1.596 -11.514  -4.824
  616   2HB   SER  77          1HB       SER  77   0.267 -10.388  -4.583
  617    HG   SER  77           HG       SER  77  -0.585 -12.071  -3.628
  618    H    GLY  78           H        GLY  78   1.419  -8.927  -6.735
  619   1HA   GLY  78          2HA       GLY  78  -0.228  -7.497  -8.362
  620   2HA   GLY  78          1HA       GLY  78  -1.059  -7.452  -6.816
  621    H    LEU  79           H        LEU  79   0.607  -5.546  -8.670
  622    HA   LEU  79           HA       LEU  79   1.773  -4.076  -6.436
  623   1HB   LEU  79          2HB       LEU  79   3.836  -3.624  -7.661
  624   2HB   LEU  79          1HB       LEU  79   3.645  -5.331  -7.309
  625    HG   LEU  79           HG       LEU  79   2.562  -5.198  -9.800
  626   1HD1  LEU  79          1HD1      LEU  79   4.348  -2.884  -9.446
  627   2HD1  LEU  79          2HD1      LEU  79   3.029  -3.139 -10.589
  628   3HD1  LEU  79          3HD1      LEU  79   4.615  -3.851 -10.897
  629   1HD2  LEU  79          1HD2      LEU  79   4.110  -6.766 -10.052
  630   2HD2  LEU  79          2HD2      LEU  79   4.860  -6.248  -8.543
  631   3HD2  LEU  79          3HD2      LEU  79   5.380  -5.544 -10.075
  632    H    ILE  80           H        ILE  80   1.227  -1.964  -6.544
  633    HA   ILE  80           HA       ILE  80   1.003  -0.613  -9.088
  634    HB   ILE  80           HB       ILE  80  -1.282   0.092  -8.901
  635   1HG1  ILE  80          2HG1      ILE  80  -1.555   0.089  -6.485
  636   2HG1  ILE  80          1HG1      ILE  80  -2.811  -0.899  -7.220
  637   1HG2  ILE  80          1HG2      ILE  80  -0.781  -1.984 -10.121
  638   2HG2  ILE  80          2HG2      ILE  80  -2.411  -1.971  -9.448
  639   3HG2  ILE  80          3HG2      ILE  80  -1.140  -2.906  -8.663
  640   1HD1  ILE  80          1HD1      ILE  80  -0.589  -1.665  -5.444
  641   2HD1  ILE  80          2HD1      ILE  80  -0.995  -2.798  -6.733
  642   3HD1  ILE  80          3HD1      ILE  80  -2.225  -2.310  -5.568
  643    H    LYS  81           H        LYS  81  -0.229   1.670  -8.538
  644    HA   LYS  81           HA       LYS  81   1.344   2.782  -6.319
  645   1HB   LYS  81          2HB       LYS  81   1.082   4.947  -7.454
  646   2HB   LYS  81          1HB       LYS  81   1.843   3.749  -8.488
  647   1HG   LYS  81          2HG       LYS  81   0.239   3.924 -10.019
  648   2HG   LYS  81          1HG       LYS  81  -1.032   3.763  -8.814
  649   1HD   LYS  81          2HD       LYS  81   0.274   6.336  -8.625
  650   2HD   LYS  81          1HD       LYS  81  -0.352   6.055 -10.249
  651   1HE   LYS  81          2HE       LYS  81  -2.368   6.624  -9.511
  652   2HE   LYS  81          1HE       LYS  81  -2.359   5.184  -8.495
  653   1HZ   LYS  81          1HZ       LYS  81  -2.692   7.530  -7.456
  654   2HZ   LYS  81          2HZ       LYS  81  -1.005   7.606  -7.540
  655   3HZ   LYS  81          3HZ       LYS  81  -1.751   6.375  -6.654
  656    HA   PRO  82           HA       PRO  82  -2.798   3.445  -4.576
  657   1HB   PRO  82          2HB       PRO  82  -2.220   2.851  -2.048
  658   2HB   PRO  82          1HB       PRO  82  -2.336   1.573  -3.266
  659   1HG   PRO  82          2HG       PRO  82   0.083   2.803  -2.033
  660   2HG   PRO  82          1HG       PRO  82  -0.194   1.127  -2.532
  661   1HD   PRO  82          2HD       PRO  82   1.171   3.107  -3.997
  662   2HD   PRO  82          1HD       PRO  82   0.626   1.535  -4.605
  663    H    PHE  83           H        PHE  83  -3.388   4.744  -2.459
  664    HA   PHE  83           HA       PHE  83  -1.828   7.225  -2.536
  665   1HB   PHE  83          2HB       PHE  83  -4.694   6.609  -2.211
  666   2HB   PHE  83          1HB       PHE  83  -4.086   7.869  -1.144
  667    HD1  PHE  83           1HD      PHE  83  -2.067   9.140  -2.889
  668    HD2  PHE  83           2HD      PHE  83  -6.002   7.759  -3.744
  669    HE1  PHE  83           1HE      PHE  83  -2.238  10.771  -4.725
  670    HE2  PHE  83           2HE      PHE  83  -6.179   9.388  -5.581
  671    HZ   PHE  83           HZ       PHE  83  -4.294  10.896  -6.073
  672    H    VAL  84           H        VAL  84  -0.518   7.609  -0.887
  673    HA   VAL  84           HA       VAL  84  -0.895   6.129   1.576
  674    HB   VAL  84           HB       VAL  84   1.550   7.659   0.775
  675   1HG1  VAL  84          1HG1      VAL  84   0.989   6.528   3.099
  676   2HG1  VAL  84          2HG1      VAL  84   2.624   6.581   2.426
  677   3HG1  VAL  84          3HG1      VAL  84   1.642   5.122   2.258
  678   1HG2  VAL  84          1HG2      VAL  84   1.641   6.307  -1.033
  679   2HG2  VAL  84          2HG2      VAL  84   0.507   5.146  -0.346
  680   3HG2  VAL  84          3HG2      VAL  84   2.202   5.116   0.142
  681    H    ILE  85           H        ILE  85  -1.881   7.145   3.133
  682    HA   ILE  85           HA       ILE  85  -1.262   9.992   3.609
  683    HB   ILE  85           HB       ILE  85  -3.864   8.651   4.346
  684   1HG1  ILE  85          2HG1      ILE  85  -3.188  10.318   1.917
  685   2HG1  ILE  85          1HG1      ILE  85  -3.718   8.641   1.930
  686   1HG2  ILE  85          1HG2      ILE  85  -4.642  10.995   4.563
  687   2HG2  ILE  85          2HG2      ILE  85  -2.989  11.532   4.265
  688   3HG2  ILE  85          3HG2      ILE  85  -3.358  10.571   5.697
  689   1HD1  ILE  85          1HD1      ILE  85  -5.289  10.939   1.685
  690   2HD1  ILE  85          2HD1      ILE  85  -5.638  10.276   3.281
  691   3HD1  ILE  85          3HD1      ILE  85  -5.834   9.269   1.846
  692    HA   PRO  86           HA       PRO  86  -0.040   8.383   7.557
  693   1HB   PRO  86          2HB       PRO  86   0.508  10.717   8.810
  694   2HB   PRO  86          1HB       PRO  86   1.536  10.042   7.543
  695   1HG   PRO  86          2HG       PRO  86  -0.293  12.348   7.447
  696   2HG   PRO  86          1HG       PRO  86   1.116  11.983   6.442
  697   1HD   PRO  86          2HD       PRO  86  -1.636  11.610   5.798
  698   2HD   PRO  86          1HD       PRO  86  -0.227  11.168   4.821
  699    H    ASN  87           H        ASN  87  -2.802   8.331   7.298
  700    HA   ASN  87           HA       ASN  87  -3.571   8.966  10.027
  701   1HB   ASN  87          2HB       ASN  87  -5.741   9.930   9.277
  702   2HB   ASN  87          1HB       ASN  87  -4.351  10.911   8.829
  703   1HD2  ASN  87          1HD2      ASN  87  -6.058  11.761   7.348
  704   2HD2  ASN  87          2HD2      ASN  87  -6.214  11.004   5.804
  705    H    LEU  88           H        LEU  88  -3.157   6.605   8.022
  706    HA   LEU  88           HA       LEU  88  -3.951   4.485   7.859
  707   1HB   LEU  88          2HB       LEU  88  -4.443   5.100  10.390
  708   2HB   LEU  88          1HB       LEU  88  -6.107   4.987   9.850
  709    HG   LEU  88           HG       LEU  88  -5.589   2.673   9.012
  710   1HD1  LEU  88          1HD1      LEU  88  -2.964   3.386  10.205
  711   2HD1  LEU  88          2HD1      LEU  88  -3.334   2.430   8.770
  712   3HD1  LEU  88          3HD1      LEU  88  -3.540   1.729  10.374
  713   1HD2  LEU  88          1HD2      LEU  88  -6.420   3.500  11.434
  714   2HD2  LEU  88          2HD2      LEU  88  -4.984   2.585  11.894
  715   3HD2  LEU  88          3HD2      LEU  88  -6.271   1.802  10.976
  716    HA   PRO  89           HA       PRO  89  -7.442   6.015   5.219
  717   1HB   PRO  89          2HB       PRO  89  -6.065   4.482   3.136
  718   2HB   PRO  89          1HB       PRO  89  -6.537   6.183   3.142
  719   1HG   PRO  89          2HG       PRO  89  -3.959   5.416   3.307
  720   2HG   PRO  89          1HG       PRO  89  -4.569   6.866   4.121
  721   1HD   PRO  89          2HD       PRO  89  -4.009   4.149   5.253
  722   2HD   PRO  89          1HD       PRO  89  -3.646   5.751   5.930
  723    H    VAL  90           H        VAL  90  -6.595   3.256   6.669
  724    HA   VAL  90           HA       VAL  90  -8.001   1.499   7.195
  725    HB   VAL  90           HB       VAL  90  -9.231   1.834   4.472
  726   1HG1  VAL  90          1HG1      VAL  90 -10.980   0.548   6.255
  727   2HG1  VAL  90          2HG1      VAL  90  -9.408  -0.227   6.452
  728   3HG1  VAL  90          3HG1      VAL  90 -10.158  -0.148   4.858
  729   1HG2  VAL  90          1HG2      VAL  90  -9.569   3.408   6.813
  730   2HG2  VAL  90          2HG2      VAL  90 -11.047   2.481   6.552
  731   3HG2  VAL  90          3HG2      VAL  90 -10.426   3.525   5.274
  732    H    ASN  91           H        ASN  91  -5.830   2.015   4.730
  733    HA   ASN  91           HA       ASN  91  -4.407   0.689   3.548
  734   1HB   ASN  91          2HB       ASN  91  -4.958  -1.547   5.473
  735   2HB   ASN  91          1HB       ASN  91  -3.440  -1.094   4.711
  736   1HD2  ASN  91          1HD2      ASN  91  -3.076  -1.528   7.180
  737   2HD2  ASN  91          2HD2      ASN  91  -3.025  -0.101   8.151
  738    H    LEU  92           H        LEU  92  -5.758   0.522   1.711
  739    HA   LEU  92           HA       LEU  92  -7.013  -2.128   1.424
  740   1HB   LEU  92          2HB       LEU  92  -8.046   0.585   0.731
  741   2HB   LEU  92          1HB       LEU  92  -8.398  -0.720  -0.378
  742    HG   LEU  92           HG       LEU  92 -10.031  -0.052   1.618
  743   1HD1  LEU  92          1HD1      LEU  92 -11.092  -1.605   0.444
  744   2HD1  LEU  92          2HD1      LEU  92 -10.357  -2.803   1.509
  745   3HD1  LEU  92          3HD1      LEU  92  -9.581  -2.389  -0.020
  746   1HD2  LEU  92          1HD2      LEU  92  -9.816  -1.539   3.502
  747   2HD2  LEU  92          2HD2      LEU  92  -8.348  -0.573   3.357
  748   3HD2  LEU  92          3HD2      LEU  92  -8.354  -2.251   2.820
  749    H    TRP  93           H        TRP  93  -6.658  -3.195  -0.467
  750    HA   TRP  93           HA       TRP  93  -4.624  -2.021  -2.209
  751   1HB   TRP  93          2HB       TRP  93  -4.847  -4.567  -1.143
  752   2HB   TRP  93          1HB       TRP  93  -5.417  -4.774  -2.791
  753    HD1  TRP  93           HD       TRP  93  -3.649  -4.813  -4.683
  754    HE1  TRP  93           1HE      TRP  93  -1.081  -4.646  -4.749
  755    HE3  TRP  93           3HE      TRP  93  -2.808  -3.323   0.133
  756    HZ2  TRP  93           2HZ      TRP  93   0.999  -3.957  -3.017
  757    HZ3  TRP  93           3HZ      TRP  93  -0.485  -2.927   0.848
  758    HH2  TRP  93           HH       TRP  93   1.382  -3.241  -0.694
  759    H    GLY  94           H        GLY  94  -5.069  -3.025  -4.635
  760   1HA   GLY  94          2HA       GLY  94  -7.694  -1.881  -5.267
  761   2HA   GLY  94          1HA       GLY  94  -6.355  -2.031  -6.371
  762    H    ARG  95           H        ARG  95  -9.109  -2.790  -6.748
  763    HA   ARG  95           HA       ARG  95  -9.774  -5.419  -6.410
  764   1HB   ARG  95          2HB       ARG  95 -10.471  -4.485  -9.100
  765   2HB   ARG  95          1HB       ARG  95 -11.504  -5.027  -7.790
  766   1HG   ARG  95          2HG       ARG  95 -11.235  -2.782  -6.740
  767   2HG   ARG  95          1HG       ARG  95 -10.360  -2.273  -8.187
  768   1HD   ARG  95          2HD       ARG  95 -12.432  -1.604  -8.818
  769   2HD   ARG  95          1HD       ARG  95 -12.531  -3.279  -9.359
  770    HE   ARG  95           HE       ARG  95 -13.445  -3.391  -6.814
  771   1HH1  ARG  95          1HH1      ARG  95 -14.286  -1.431  -9.576
  772   2HH1  ARG  95          2HH1      ARG  95 -15.940  -1.248  -9.100
  773   1HH2  ARG  95          1HH2      ARG  95 -15.621  -3.150  -6.186
  774   2HH2  ARG  95          2HH2      ARG  95 -16.699  -2.223  -7.176
  775    H    ASP  96           H        ASP  96  -7.770  -4.127  -9.049
  776    HA   ASP  96           HA       ASP  96  -7.591  -6.399 -10.610
  777   1HB   ASP  96          2HB       ASP  96  -6.497  -3.945 -10.756
  778   2HB   ASP  96          1HB       ASP  96  -5.080  -4.862 -10.257
  779    H    LEU  97           H        LEU  97  -5.500  -5.501  -7.872
  780    HA   LEU  97           HA       LEU  97  -4.015  -7.943  -8.065
  781   1HB   LEU  97          2HB       LEU  97  -4.014  -5.932  -5.822
  782   2HB   LEU  97          1HB       LEU  97  -2.844  -7.210  -6.072
  783    HG   LEU  97           HG       LEU  97  -1.727  -5.352  -6.880
  784   1HD1  LEU  97          1HD1      LEU  97  -3.034  -5.967  -9.478
  785   2HD1  LEU  97          2HD1      LEU  97  -2.212  -7.275  -8.628
  786   3HD1  LEU  97          3HD1      LEU  97  -1.322  -5.819  -9.077
  787   1HD2  LEU  97          1HD2      LEU  97  -2.675  -3.444  -7.601
  788   2HD2  LEU  97          2HD2      LEU  97  -4.120  -4.132  -6.864
  789   3HD2  LEU  97          3HD2      LEU  97  -3.858  -4.283  -8.602
  790    H    LEU  98           H        LEU  98  -6.756  -6.853  -6.121
  791    HA   LEU  98           HA       LEU  98  -6.592  -9.043  -4.296
  792   1HB   LEU  98          2HB       LEU  98  -8.811  -7.138  -5.006
  793   2HB   LEU  98          1HB       LEU  98  -9.085  -8.492  -3.929
  794    HG   LEU  98           HG       LEU  98  -8.670  -6.819  -2.416
  795   1HD1  LEU  98          1HD1      LEU  98  -6.705  -7.300  -1.337
  796   2HD1  LEU  98          2HD1      LEU  98  -5.782  -7.399  -2.838
  797   3HD1  LEU  98          3HD1      LEU  98  -6.869  -8.711  -2.383
  798   1HD2  LEU  98          1HD2      LEU  98  -6.438  -5.670  -4.033
  799   2HD2  LEU  98          2HD2      LEU  98  -7.380  -4.911  -2.748
  800   3HD2  LEU  98          3HD2      LEU  98  -8.118  -5.230  -4.316
  801    H    SER  99           H        SER  99  -7.814  -8.599  -7.486
  802    HA   SER  99           HA       SER  99  -9.545 -10.849  -7.559
  803   1HB   SER  99          2HB       SER  99  -9.267  -8.773  -9.205
  804   2HB   SER  99          1HB       SER  99  -8.190  -9.895 -10.038
  805    HG   SER  99           HG       SER  99 -10.954 -10.112  -9.549
  806    H    GLN 100           H        GLN 100  -6.251 -10.282  -8.758
  807    HA   GLN 100           HA       GLN 100  -5.828 -13.004  -9.483
  808   1HB   GLN 100          2HB       GLN 100  -4.043 -10.635  -9.068
  809   2HB   GLN 100          1HB       GLN 100  -3.369 -12.218  -9.428
  810   1HG   GLN 100          2HG       GLN 100  -3.979 -12.132 -11.586
  811   2HG   GLN 100          1HG       GLN 100  -5.515 -11.341 -11.230
  812   1HE2  GLN 100          1HE2      GLN 100  -2.148 -10.429 -10.600
  813   2HE2  GLN 100          2HE2      GLN 100  -2.224  -8.910 -11.417
  814    H    MET 101           H        MET 101  -5.160 -11.084  -6.611
  815    HA   MET 101           HA       MET 101  -3.566 -13.059  -5.319
  816   1HB   MET 101          2HB       MET 101  -4.865 -10.507  -4.424
  817   2HB   MET 101          1HB       MET 101  -4.059 -11.562  -3.276
  818   1HG   MET 101          2HG       MET 101  -2.100 -11.398  -5.036
  819   2HG   MET 101          1HG       MET 101  -2.919  -9.893  -5.446
  820   1HE   MET 101          1HE       MET 101  -1.485  -7.629  -4.059
  821   2HE   MET 101          2HE       MET 101  -2.593  -7.591  -2.688
  822   3HE   MET 101          3HE       MET 101  -3.183  -8.041  -4.287
  823    H    LYS 102           H        LYS 102  -7.053 -12.532  -5.399
  824    HA   LYS 102           HA       LYS 102  -7.298 -14.859  -3.648
  825   1HB   LYS 102          2HB       LYS 102  -7.351 -12.858  -2.196
  826   2HB   LYS 102          1HB       LYS 102  -8.772 -12.297  -3.065
  827   1HG   LYS 102          2HG       LYS 102  -9.911 -13.335  -1.451
  828   2HG   LYS 102          1HG       LYS 102  -9.538 -14.804  -2.353
  829   1HD   LYS 102          2HD       LYS 102  -7.481 -15.054  -0.974
  830   2HD   LYS 102          1HD       LYS 102  -8.006 -13.669  -0.015
  831   1HE   LYS 102          2HE       LYS 102  -8.600 -15.766   1.078
  832   2HE   LYS 102          1HE       LYS 102 -10.041 -14.867   0.608
  833   1HZ   LYS 102          1HZ       LYS 102  -9.076 -16.763  -1.359
  834   2HZ   LYS 102          2HZ       LYS 102 -10.656 -16.449  -0.839
  835   3HZ   LYS 102          3HZ       LYS 102  -9.650 -17.454   0.075
  836    H    ILE 103           H        ILE 103  -8.879 -12.720  -5.990
  837    HA   ILE 103           HA       ILE 103 -11.334 -14.216  -5.899
  838    HB   ILE 103           HB       ILE 103 -10.405 -12.261  -8.002
  839   1HG1  ILE 103          2HG1      ILE 103 -10.615 -11.316  -5.711
  840   2HG1  ILE 103          1HG1      ILE 103 -11.780 -10.636  -6.842
  841   1HG2  ILE 103          1HG2      ILE 103 -12.851 -13.875  -7.687
  842   2HG2  ILE 103          2HG2      ILE 103 -12.097 -13.224  -9.143
  843   3HG2  ILE 103          3HG2      ILE 103 -13.085 -12.181  -8.119
  844   1HD1  ILE 103          1HD1      ILE 103 -13.508 -11.356  -5.644
  845   2HD1  ILE 103          2HD1      ILE 103 -12.337 -11.635  -4.356
  846   3HD1  ILE 103          3HD1      ILE 103 -12.804 -12.958  -5.424
  847    H    MET 104           H        MET 104  -9.664 -13.676  -8.970
  848    HA   MET 104           HA       MET 104 -10.455 -16.064 -10.122
  849   1HB   MET 104          2HB       MET 104  -9.473 -14.094 -11.316
  850   2HB   MET 104          1HB       MET 104  -7.889 -14.593 -10.739
  851   1HG   MET 104          2HG       MET 104  -7.969 -16.599 -12.005
  852   2HG   MET 104          1HG       MET 104  -9.667 -16.352 -12.402
  853   1HE   MET 104          1HE       MET 104  -6.725 -13.883 -12.249
  854   2HE   MET 104          2HE       MET 104  -6.333 -13.572 -13.940
  855   3HE   MET 104          3HE       MET 104  -5.924 -15.126 -13.211
  856    H    MET 105           H        MET 105  -9.391 -18.040 -10.532
  857    HA   MET 105           HA       MET 105  -8.074 -19.167  -8.324
  858   1HB   MET 105          2HB       MET 105  -7.654 -21.103  -9.867
  859   2HB   MET 105          1HB       MET 105  -9.333 -20.594  -9.766
  860   1HG   MET 105          2HG       MET 105  -7.817 -19.301 -11.906
  861   2HG   MET 105          1HG       MET 105  -7.959 -21.051 -12.068
  862   1HE   MET 105          1HE       MET 105 -11.860 -21.511 -11.932
  863   2HE   MET 105          2HE       MET 105 -10.542 -21.794 -10.795
  864   3HE   MET 105          3HE       MET 105 -10.389 -22.320 -12.471
  865    H    ALA 106           H        ALA 106  -6.318 -17.696  -7.953
  866    HA   ALA 106           HA       ALA 106  -3.962 -18.375  -9.566
  867   1HB   ALA 106          1HB       ALA 106  -4.047 -16.303 -10.428
  868   2HB   ALA 106          2HB       ALA 106  -3.400 -15.807  -8.864
  869   3HB   ALA 106          3HB       ALA 106  -5.134 -15.717  -9.170
  870    H    SER 107           H        SER 107  -1.903 -17.731  -8.411
  871    HA   SER 107           HA       SER 107  -1.947 -18.832  -5.782
  872   1HB   SER 107          2HB       SER 107   0.481 -18.413  -5.797
  873   2HB   SER 107          1HB       SER 107  -0.043 -19.187  -7.293
  874    HG   SER 107           HG       SER 107   0.374 -16.398  -6.958
  Start of MODEL    3
    1   1H    TRP   1          1HT       TRP   1   8.046 -20.252   3.485
    2   2H    TRP   1          2HT       TRP   1   7.091 -20.652   4.854
    3   3H    TRP   1          3HT       TRP   1   8.787 -20.917   4.880
    4    HA   TRP   1           HA       TRP   1   8.499 -19.027   6.106
    5   1HB   TRP   1          2HB       TRP   1   9.962 -19.048   3.817
    6   2HB   TRP   1          1HB       TRP   1   8.949 -17.635   3.534
    7    HD1  TRP   1           HD       TRP   1   8.935 -16.783   6.723
    8    HE1  TRP   1           1HE      TRP   1  11.037 -15.611   7.633
    9    HE3  TRP   1           3HE      TRP   1  12.290 -18.248   3.154
   10    HZ2  TRP   1           2HZ      TRP   1  13.758 -15.341   6.931
   11    HZ3  TRP   1           3HZ      TRP   1  14.622 -17.489   3.347
   12    HH2  TRP   1           HH       TRP   1  15.341 -16.065   5.196
   13    H    VAL   2           H        VAL   2   6.402 -19.128   3.319
   14    HA   VAL   2           HA       VAL   2   5.085 -16.636   3.894
   15    HB   VAL   2           HB       VAL   2   5.232 -17.487   1.601
   16   1HG1  VAL   2          1HG1      VAL   2   3.631 -19.759   2.722
   17   2HG1  VAL   2          2HG1      VAL   2   5.110 -19.810   1.764
   18   3HG1  VAL   2          3HG1      VAL   2   3.582 -19.358   1.007
   19   1HG2  VAL   2          1HG2      VAL   2   3.425 -15.954   2.200
   20   2HG2  VAL   2          2HG2      VAL   2   2.391 -17.325   2.603
   21   3HG2  VAL   2          3HG2      VAL   2   2.921 -17.079   0.938
   22    H    GLN   3           H        GLN   3   2.841 -16.426   4.488
   23    HA   GLN   3           HA       GLN   3   1.947 -18.629   6.228
   24   1HB   GLN   3          2HB       GLN   3   2.502 -16.087   6.987
   25   2HB   GLN   3          1HB       GLN   3   0.788 -15.939   6.624
   26   1HG   GLN   3          2HG       GLN   3   1.300 -18.308   8.178
   27   2HG   GLN   3          1HG       GLN   3   1.951 -16.876   8.974
   28   1HE2  GLN   3          1HE2      GLN   3  -0.677 -18.782   8.768
   29   2HE2  GLN   3          2HE2      GLN   3  -1.905 -17.662   9.235
   30    HA   PRO   4           HA       PRO   4  -1.239 -18.394   2.900
   31   1HB   PRO   4          2HB       PRO   4  -1.638 -21.059   2.707
   32   2HB   PRO   4          1HB       PRO   4  -0.316 -20.240   1.870
   33   1HG   PRO   4          2HG       PRO   4  -0.264 -21.794   4.428
   34   2HG   PRO   4          1HG       PRO   4   0.887 -21.821   3.079
   35   1HD   PRO   4          2HD       PRO   4   1.322 -20.425   5.374
   36   2HD   PRO   4          1HD       PRO   4   1.966 -19.922   3.798
   37    H    ILE   5           H        ILE   5  -2.973 -17.593   3.972
   38    HA   ILE   5           HA       ILE   5  -4.053 -18.742   6.335
   39    HB   ILE   5           HB       ILE   5  -4.324 -16.363   5.811
   40   1HG1  ILE   5          2HG1      ILE   5  -6.993 -17.785   5.923
   41   2HG1  ILE   5          1HG1      ILE   5  -5.936 -17.533   7.308
   42   1HG2  ILE   5          1HG2      ILE   5  -4.582 -16.261   3.490
   43   2HG2  ILE   5          2HG2      ILE   5  -6.161 -15.794   4.123
   44   3HG2  ILE   5          3HG2      ILE   5  -5.910 -17.422   3.495
   45   1HD1  ILE   5          1HD1      ILE   5  -6.226 -15.169   7.179
   46   2HD1  ILE   5          2HD1      ILE   5  -7.818 -15.925   7.136
   47   3HD1  ILE   5          3HD1      ILE   5  -7.095 -15.309   5.650
   48    H    THR   6           H        THR   6  -6.183 -19.660   6.589
   49    HA   THR   6           HA       THR   6  -6.822 -21.503   4.424
   50    HB   THR   6           HB       THR   6  -8.365 -22.514   6.154
   51    HG1  THR   6           1HG      THR   6  -6.994 -20.824   7.961
   52   1HG2  THR   6          1HG2      THR   6  -6.481 -23.277   7.694
   53   2HG2  THR   6          2HG2      THR   6  -5.425 -22.308   6.667
   54   3HG2  THR   6          3HG2      THR   6  -6.341 -23.646   5.975
   55    H    ALA   7           H        ALA   7  -8.781 -21.592   3.376
   56    HA   ALA   7           HA       ALA   7 -10.729 -20.831   2.477
   57   1HB   ALA   7          1HB       ALA   7 -11.923 -21.192   4.415
   58   2HB   ALA   7          2HB       ALA   7 -12.199 -19.469   4.154
   59   3HB   ALA   7          3HB       ALA   7 -11.000 -20.001   5.333
   60    H    GLN   8           H        GLN   8 -12.093 -18.607   2.329
   61    HA   GLN   8           HA       GLN   8 -10.131 -16.653   1.420
   62   1HB   GLN   8          2HB       GLN   8 -12.156 -15.550   0.394
   63   2HB   GLN   8          1HB       GLN   8 -11.797 -17.166  -0.200
   64   1HG   GLN   8          2HG       GLN   8 -13.660 -17.035   2.072
   65   2HG   GLN   8          1HG       GLN   8 -14.242 -16.339   0.562
   66   1HE2  GLN   8          1HE2      GLN   8 -14.601 -18.943   2.257
   67   2HE2  GLN   8          2HE2      GLN   8 -14.642 -20.169   1.043
   68    H    LYS   9           H        LYS   9  -9.439 -15.344   2.973
   69    HA   LYS   9           HA       LYS   9 -11.395 -13.680   4.340
   70   1HB   LYS   9          2HB       LYS   9 -10.227 -15.836   5.662
   71   2HB   LYS   9          1HB       LYS   9  -9.278 -14.451   6.182
   72   1HG   LYS   9          2HG       LYS   9 -10.899 -14.391   7.763
   73   2HG   LYS   9          1HG       LYS   9 -11.688 -13.405   6.529
   74   1HD   LYS   9          2HD       LYS   9 -13.351 -14.909   7.142
   75   2HD   LYS   9          1HD       LYS   9 -12.665 -15.645   5.691
   76   1HE   LYS   9          2HE       LYS   9 -12.818 -17.428   7.174
   77   2HE   LYS   9          1HE       LYS   9 -11.137 -16.920   7.326
   78   1HZ   LYS   9          1HZ       LYS   9 -11.642 -16.979   9.504
   79   2HZ   LYS   9          2HZ       LYS   9 -13.301 -16.769   9.257
   80   3HZ   LYS   9          3HZ       LYS   9 -12.264 -15.433   9.213
   81    HA   PRO  10           HA       PRO  10  -8.358 -10.596   3.463
   82   1HB   PRO  10          2HB       PRO  10  -9.175  -9.005   5.731
   83   2HB   PRO  10          1HB       PRO  10  -9.478  -8.723   4.022
   84   1HG   PRO  10          2HG       PRO  10 -11.433  -9.392   5.799
   85   2HG   PRO  10          1HG       PRO  10 -11.504  -9.784   4.072
   86   1HD   PRO  10          2HD       PRO  10 -10.778 -11.533   6.387
   87   2HD   PRO  10          1HD       PRO  10 -11.724 -11.916   4.934
   88    H    SER  11           H        SER  11  -7.074 -12.615   4.706
   89    HA   SER  11           HA       SER  11  -5.145 -11.180   6.315
   90   1HB   SER  11          2HB       SER  11  -7.091 -12.997   7.508
   91   2HB   SER  11          1HB       SER  11  -5.427 -13.463   7.855
   92    HG   SER  11           HG       SER  11  -6.170 -11.998   9.407
   93    H    LEU  12           H        LEU  12  -3.281 -11.668   5.382
   94    HA   LEU  12           HA       LEU  12  -2.385 -14.365   5.171
   95   1HB   LEU  12          2HB       LEU  12  -2.735 -14.857   3.029
   96   2HB   LEU  12          1HB       LEU  12  -3.818 -13.486   2.978
   97    HG   LEU  12           HG       LEU  12  -0.880 -13.269   2.316
   98   1HD1  LEU  12          1HD1      LEU  12  -3.145 -13.540   0.353
   99   2HD1  LEU  12          2HD1      LEU  12  -2.112 -14.884   0.842
  100   3HD1  LEU  12          3HD1      LEU  12  -1.415 -13.492   0.016
  101   1HD2  LEU  12          1HD2      LEU  12  -2.445 -11.262   2.950
  102   2HD2  LEU  12          2HD2      LEU  12  -3.033 -11.475   1.301
  103   3HD2  LEU  12          3HD2      LEU  12  -1.327 -11.138   1.591
  104    H    THR  13           H        THR  13  -0.133 -14.510   4.616
  105    HA   THR  13           HA       THR  13   1.229 -11.933   5.014
  106    HB   THR  13           HB       THR  13   2.356 -14.683   5.534
  107    HG1  THR  13           1HG      THR  13   1.839 -14.284   7.703
  108   1HG2  THR  13          1HG2      THR  13   3.208 -12.033   6.667
  109   2HG2  THR  13          2HG2      THR  13   3.983 -12.819   5.291
  110   3HG2  THR  13          3HG2      THR  13   3.994 -13.599   6.873
  111    H    LEU  14           H        LEU  14   2.068 -11.101   3.262
  112    HA   LEU  14           HA       LEU  14   3.546 -12.841   1.410
  113   1HB   LEU  14          2HB       LEU  14   1.836 -10.515   0.547
  114   2HB   LEU  14          1HB       LEU  14   2.774 -11.555  -0.497
  115    HG   LEU  14           HG       LEU  14   0.260 -12.230   1.014
  116   1HD1  LEU  14          1HD1      LEU  14  -0.767 -11.868  -0.916
  117   2HD1  LEU  14          2HD1      LEU  14   0.323 -12.974  -1.753
  118   3HD1  LEU  14          3HD1      LEU  14   0.756 -11.273  -1.575
  119   1HD2  LEU  14          1HD2      LEU  14   0.875 -14.435  -0.522
  120   2HD2  LEU  14          2HD2      LEU  14   1.027 -14.311   1.231
  121   3HD2  LEU  14          3HD2      LEU  14   2.421 -13.994   0.203
  122    H    TRP  15           H        TRP  15   4.980 -11.336  -0.068
  123    HA   TRP  15           HA       TRP  15   6.189  -9.424   1.788
  124   1HB   TRP  15          2HB       TRP  15   8.266  -9.972   1.030
  125   2HB   TRP  15          1HB       TRP  15   7.435 -11.488   0.755
  126    HD1  TRP  15           HD       TRP  15   6.070 -10.182  -2.085
  127    HE1  TRP  15           1HE      TRP  15   7.606 -10.231  -4.143
  128    HE3  TRP  15           3HE      TRP  15  10.582 -10.771   0.243
  129    HZ2  TRP  15           2HZ      TRP  15  10.339 -10.494  -4.725
  130    HZ3  TRP  15           3HZ      TRP  15  12.602 -10.919  -1.146
  131    HH2  TRP  15           HH       TRP  15  12.485 -10.787  -3.574
  132    H    LEU  16           H        LEU  16   6.933  -7.458   1.164
  133    HA   LEU  16           HA       LEU  16   6.126  -6.393  -1.430
  134   1HB   LEU  16          2HB       LEU  16   5.105  -4.406  -0.304
  135   2HB   LEU  16          1HB       LEU  16   4.197  -5.894  -0.118
  136    HG   LEU  16           HG       LEU  16   6.119  -5.143   2.033
  137   1HD1  LEU  16          1HD1      LEU  16   4.414  -3.222   1.203
  138   2HD1  LEU  16          2HD1      LEU  16   4.937  -3.425   2.875
  139   3HD1  LEU  16          3HD1      LEU  16   3.391  -4.091   2.348
  140   1HD2  LEU  16          1HD2      LEU  16   3.354  -6.198   2.403
  141   2HD2  LEU  16          2HD2      LEU  16   4.806  -6.478   3.365
  142   3HD2  LEU  16          3HD2      LEU  16   4.617  -7.272   1.803
  143    H    ASP  17           H        ASP  17   7.444  -4.755  -2.154
  144    HA   ASP  17           HA       ASP  17   9.361  -3.535  -2.327
  145   1HB   ASP  17          2HB       ASP  17   8.567  -2.991   0.532
  146   2HB   ASP  17          1HB       ASP  17   9.958  -2.213  -0.217
  147    H    ASP  18           H        ASP  18   9.699  -6.300  -1.839
  148    HA   ASP  18           HA       ASP  18  11.343  -7.805  -1.404
  149   1HB   ASP  18          2HB       ASP  18  12.962  -5.285  -0.998
  150   2HB   ASP  18          1HB       ASP  18  13.654  -6.903  -0.969
  151    H    LYS  19           H        LYS  19   9.543  -7.185   0.660
  152    HA   LYS  19           HA       LYS  19  11.060  -8.144   2.918
  153   1HB   LYS  19          2HB       LYS  19  10.497  -5.368   2.704
  154   2HB   LYS  19          1HB       LYS  19   9.465  -6.016   3.971
  155   1HG   LYS  19          2HG       LYS  19  11.729  -7.160   4.722
  156   2HG   LYS  19          1HG       LYS  19  12.415  -5.786   3.853
  157   1HD   LYS  19          2HD       LYS  19  11.874  -4.372   5.494
  158   2HD   LYS  19          1HD       LYS  19  10.220  -4.983   5.569
  159   1HE   LYS  19          2HE       LYS  19  12.208  -6.821   6.673
  160   2HE   LYS  19          1HE       LYS  19  12.125  -5.277   7.521
  161   1HZ   LYS  19          1HZ       LYS  19  10.605  -6.853   8.496
  162   2HZ   LYS  19          2HZ       LYS  19   9.849  -7.117   7.006
  163   3HZ   LYS  19          3HZ       LYS  19   9.725  -5.608   7.760
  164    H    MET  20           H        MET  20   9.898  -9.763   3.704
  165    HA   MET  20           HA       MET  20   7.195 -10.191   3.023
  166   1HB   MET  20          2HB       MET  20   9.274 -11.666   4.249
  167   2HB   MET  20          1HB       MET  20   7.901 -11.701   5.344
  168   1HG   MET  20          2HG       MET  20   7.087 -13.358   4.125
  169   2HG   MET  20          1HG       MET  20   6.790 -12.177   2.851
  170   1HE   MET  20          1HE       MET  20   7.595 -14.913   0.853
  171   2HE   MET  20          2HE       MET  20   8.160 -13.429   0.086
  172   3HE   MET  20          3HE       MET  20   6.722 -13.402   1.109
  173    H    PHE  21           H        PHE  21   5.323 -10.021   4.195
  174    HA   PHE  21           HA       PHE  21   5.216  -9.169   6.908
  175   1HB   PHE  21          2HB       PHE  21   5.762  -7.093   5.247
  176   2HB   PHE  21          1HB       PHE  21   4.003  -7.074   5.210
  177    HD1  PHE  21           1HD      PHE  21   2.844  -5.965   6.864
  178    HD2  PHE  21           2HD      PHE  21   6.854  -7.179   7.597
  179    HE1  PHE  21           1HE      PHE  21   2.811  -4.760   9.011
  180    HE2  PHE  21           2HE      PHE  21   6.831  -5.978   9.746
  181    HZ   PHE  21           HZ       PHE  21   4.807  -4.768  10.456
  182    H    THR  22           H        THR  22   2.782  -8.233   7.249
  183    HA   THR  22           HA       THR  22   1.057 -10.195   5.896
  184    HB   THR  22           HB       THR  22  -0.023  -8.990   8.331
  185    HG1  THR  22           1HG      THR  22   2.264 -10.639   8.583
  186   1HG2  THR  22          1HG2      THR  22   0.592 -11.883   7.996
  187   2HG2  THR  22          2HG2      THR  22  -0.706 -11.146   7.055
  188   3HG2  THR  22          3HG2      THR  22  -0.761 -11.104   8.817
  189    H    GLY  23           H        GLY  23  -1.153  -9.602   5.469
  190   1HA   GLY  23          2HA       GLY  23  -1.836  -6.775   5.475
  191   2HA   GLY  23          1HA       GLY  23  -1.630  -7.503   3.888
  192    H    LEU  24           H        LEU  24  -4.043  -6.488   4.265
  193    HA   LEU  24           HA       LEU  24  -5.726  -8.804   4.969
  194   1HB   LEU  24          2HB       LEU  24  -7.495  -6.796   5.098
  195   2HB   LEU  24          1HB       LEU  24  -6.564  -7.351   6.477
  196    HG   LEU  24           HG       LEU  24  -4.874  -5.535   5.887
  197   1HD1  LEU  24          1HD1      LEU  24  -6.946  -5.057   3.858
  198   2HD1  LEU  24          2HD1      LEU  24  -5.230  -4.651   3.851
  199   3HD1  LEU  24          3HD1      LEU  24  -6.376  -3.624   4.713
  200   1HD2  LEU  24          1HD2      LEU  24  -5.857  -4.201   7.417
  201   2HD2  LEU  24          2HD2      LEU  24  -6.986  -5.549   7.559
  202   3HD2  LEU  24          3HD2      LEU  24  -7.393  -4.159   6.553
  203    H    ILE  25           H        ILE  25  -6.604  -9.753   3.271
  204    HA   ILE  25           HA       ILE  25  -6.788  -8.360   0.732
  205    HB   ILE  25           HB       ILE  25  -7.691 -11.174   1.330
  206   1HG1  ILE  25          2HG1      ILE  25  -5.295 -11.476   0.089
  207   2HG1  ILE  25          1HG1      ILE  25  -4.980 -10.029   1.042
  208   1HG2  ILE  25          1HG2      ILE  25  -8.097 -11.379  -0.852
  209   2HG2  ILE  25          2HG2      ILE  25  -6.585 -10.583  -1.294
  210   3HG2  ILE  25          3HG2      ILE  25  -8.013  -9.618  -0.917
  211   1HD1  ILE  25          1HD1      ILE  25  -5.183 -12.787   1.870
  212   2HD1  ILE  25          2HD1      ILE  25  -6.226 -11.730   2.821
  213   3HD1  ILE  25          3HD1      ILE  25  -4.496 -11.400   2.714
  214    H    ASN  26           H        ASN  26  -8.479  -7.091   0.383
  215    HA   ASN  26           HA       ASN  26 -11.044  -7.702   1.621
  216   1HB   ASN  26          2HB       ASN  26 -10.805  -5.369  -0.186
  217   2HB   ASN  26          1HB       ASN  26 -11.573  -5.499   1.390
  218   1HD2  ASN  26          1HD2      ASN  26  -8.637  -4.846  -0.321
  219   2HD2  ASN  26          2HD2      ASN  26  -7.746  -4.230   1.024
  220    H    THR  27           H        THR  27 -12.770  -8.459   0.565
  221    HA   THR  27           HA       THR  27 -12.426  -9.323  -2.175
  222    HB   THR  27           HB       THR  27 -13.422 -10.799  -0.465
  223    HG1  THR  27           1HG      THR  27 -14.043 -11.366  -2.461
  224   1HG2  THR  27          1HG2      THR  27 -15.576  -8.719  -0.418
  225   2HG2  THR  27          2HG2      THR  27 -14.707  -9.445   0.935
  226   3HG2  THR  27          3HG2      THR  27 -15.881 -10.399   0.028
  227    H    GLY  28           H        GLY  28 -13.134  -6.436  -1.008
  228   1HA   GLY  28          2HA       GLY  28 -14.868  -5.769  -3.274
  229   2HA   GLY  28          1HA       GLY  28 -15.372  -5.277  -1.664
  230    H    ALA  29           H        ALA  29 -12.090  -5.352  -2.958
  231    HA   ALA  29           HA       ALA  29 -11.504  -2.747  -1.995
  232   1HB   ALA  29          1HB       ALA  29  -9.557  -3.872  -2.106
  233   2HB   ALA  29          2HB       ALA  29  -9.500  -3.213  -3.741
  234   3HB   ALA  29          3HB       ALA  29 -10.078  -4.858  -3.471
  235    H    ASP  30           H        ASP  30 -11.592  -0.804  -2.958
  236    HA   ASP  30           HA       ASP  30 -12.490  -0.729  -5.765
  237   1HB   ASP  30          2HB       ASP  30 -13.544   1.425  -5.238
  238   2HB   ASP  30          1HB       ASP  30 -14.157   0.145  -4.196
  239    H    VAL  31           H        VAL  31 -10.378   0.721  -3.359
  240    HA   VAL  31           HA       VAL  31  -8.532   1.498  -5.451
  241    HB   VAL  31           HB       VAL  31  -9.906   3.491  -5.305
  242   1HG1  VAL  31          1HG1      VAL  31  -9.356   4.551  -2.771
  243   2HG1  VAL  31          2HG1      VAL  31  -9.894   2.894  -2.498
  244   3HG1  VAL  31          3HG1      VAL  31 -10.911   4.014  -3.401
  245   1HG2  VAL  31          1HG2      VAL  31  -7.740   4.109  -5.802
  246   2HG2  VAL  31          2HG2      VAL  31  -7.120   3.611  -4.228
  247   3HG2  VAL  31          3HG2      VAL  31  -8.071   5.090  -4.373
  248    H    THR  32           H        THR  32  -6.629   0.805  -4.810
  249    HA   THR  32           HA       THR  32  -6.065  -0.075  -2.195
  250    HB   THR  32           HB       THR  32  -4.868  -1.142  -3.921
  251    HG1  THR  32           1HG      THR  32  -3.043  -1.112  -2.914
  252   1HG2  THR  32          1HG2      THR  32  -4.393   1.579  -4.949
  253   2HG2  THR  32          2HG2      THR  32  -4.763   0.084  -5.810
  254   3HG2  THR  32          3HG2      THR  32  -3.131   0.375  -5.203
  255    H    ILE  33           H        ILE  33  -5.807   1.161  -0.534
  256    HA   ILE  33           HA       ILE  33  -4.285   3.680  -0.831
  257    HB   ILE  33           HB       ILE  33  -6.030   3.339   1.542
  258   1HG1  ILE  33          2HG1      ILE  33  -7.454   2.645  -0.407
  259   2HG1  ILE  33          1HG1      ILE  33  -8.028   4.091   0.419
  260   1HG2  ILE  33          1HG2      ILE  33  -5.023   5.584  -0.157
  261   2HG2  ILE  33          2HG2      ILE  33  -4.811   5.305   1.572
  262   3HG2  ILE  33          3HG2      ILE  33  -6.376   5.828   0.948
  263   1HD1  ILE  33          1HD1      ILE  33  -6.246   4.809  -1.710
  264   2HD1  ILE  33          2HD1      ILE  33  -7.932   5.259  -1.456
  265   3HD1  ILE  33          3HD1      ILE  33  -7.535   3.767  -2.307
  266    H    ILE  34           H        ILE  34  -2.312   3.371  -0.088
  267    HA   ILE  34           HA       ILE  34  -1.944   1.621   2.222
  268    HB   ILE  34           HB       ILE  34  -0.587   1.507  -0.067
  269   1HG1  ILE  34          2HG1      ILE  34   1.252   0.425   1.211
  270   2HG1  ILE  34          1HG1      ILE  34   0.580   1.100   2.692
  271   1HG2  ILE  34          1HG2      ILE  34   1.237   2.825  -0.305
  272   2HG2  ILE  34          2HG2      ILE  34   1.480   2.993   1.434
  273   3HG2  ILE  34          3HG2      ILE  34   0.244   3.953   0.618
  274   1HD1  ILE  34          1HD1      ILE  34  -0.018  -1.275   2.275
  275   2HD1  ILE  34          2HD1      ILE  34  -0.922  -0.749   0.854
  276   3HD1  ILE  34          3HD1      ILE  34  -1.409  -0.205   2.460
  277    H    LYS  35           H        LYS  35  -0.550   2.362   3.952
  278    HA   LYS  35           HA       LYS  35  -1.009   5.182   4.449
  279   1HB   LYS  35          2HB       LYS  35  -0.296   4.613   6.775
  280   2HB   LYS  35          1HB       LYS  35  -1.665   3.673   6.205
  281   1HG   LYS  35          2HG       LYS  35   1.031   2.510   5.839
  282   2HG   LYS  35          1HG       LYS  35   0.365   2.573   7.468
  283   1HD   LYS  35          2HD       LYS  35  -1.414   1.563   5.331
  284   2HD   LYS  35          1HD       LYS  35  -0.076   0.524   5.830
  285   1HE   LYS  35          2HE       LYS  35  -1.686  -0.156   7.304
  286   2HE   LYS  35          1HE       LYS  35  -0.945   1.144   8.237
  287   1HZ   LYS  35          1HZ       LYS  35  -3.448   1.140   8.110
  288   2HZ   LYS  35          2HZ       LYS  35  -3.288   1.589   6.489
  289   3HZ   LYS  35          3HZ       LYS  35  -2.689   2.597   7.704
  290    H    LEU  36           H        LEU  36   0.649   6.553   5.352
  291    HA   LEU  36           HA       LEU  36   2.986   6.520   3.779
  292   1HB   LEU  36          2HB       LEU  36   1.678   8.330   5.444
  293   2HB   LEU  36          1HB       LEU  36   3.268   8.127   6.157
  294    HG   LEU  36           HG       LEU  36   3.497   8.451   3.297
  295   1HD1  LEU  36          1HD1      LEU  36   2.821  11.036   3.752
  296   2HD1  LEU  36          2HD1      LEU  36   1.574  10.185   4.659
  297   3HD1  LEU  36          3HD1      LEU  36   1.792   9.855   2.943
  298   1HD2  LEU  36          1HD2      LEU  36   5.049   8.914   5.413
  299   2HD2  LEU  36          2HD2      LEU  36   4.390  10.536   5.198
  300   3HD2  LEU  36          3HD2      LEU  36   5.258   9.755   3.877
  301    H    GLU  37           H        GLU  37   2.286   5.223   6.915
  302    HA   GLU  37           HA       GLU  37   4.843   5.020   7.999
  303   1HB   GLU  37          2HB       GLU  37   2.548   3.069   8.261
  304   2HB   GLU  37          1HB       GLU  37   3.955   3.130   9.312
  305   1HG   GLU  37          2HG       GLU  37   2.553   4.343  10.591
  306   2HG   GLU  37          1HG       GLU  37   3.145   5.653   9.572
  307    H    ASP  38           H        ASP  38   3.447   3.366   5.323
  308    HA   ASP  38           HA       ASP  38   5.683   1.450   5.293
  309   1HB   ASP  38          2HB       ASP  38   2.842   1.191   4.700
  310   2HB   ASP  38          1HB       ASP  38   3.847   0.610   3.378
  311    H    TRP  39           H        TRP  39   5.594   4.300   4.316
  312    HA   TRP  39           HA       TRP  39   6.023   3.859   1.445
  313   1HB   TRP  39          2HB       TRP  39   4.814   5.747   1.303
  314   2HB   TRP  39          1HB       TRP  39   4.971   6.064   3.027
  315    HD1  TRP  39           HD       TRP  39   6.571   6.913  -0.335
  316    HE1  TRP  39           1HE      TRP  39   8.155   8.910  -0.024
  317    HE3  TRP  39           3HE      TRP  39   6.428   7.270   4.761
  318    HZ2  TRP  39           2HZ      TRP  39   9.198  10.452   2.103
  319    HZ3  TRP  39           3HZ      TRP  39   7.745   9.037   5.856
  320    HH2  TRP  39           HH       TRP  39   9.102  10.593   4.554
  321    HA   PRO  40           HA       PRO  40  10.430   4.029   1.731
  322   1HB   PRO  40          2HB       PRO  40  10.308   5.866  -0.601
  323   2HB   PRO  40          1HB       PRO  40  11.195   4.351  -0.406
  324   1HG   PRO  40          2HG       PRO  40   8.997   4.469  -1.910
  325   2HG   PRO  40          1HG       PRO  40   9.357   3.057  -0.908
  326   1HD   PRO  40          2HD       PRO  40   7.384   5.242  -0.457
  327   2HD   PRO  40          1HD       PRO  40   7.263   3.516  -0.069
  328    HA   PRO  41           HA       PRO  41  10.704   8.057   3.803
  329   1HB   PRO  41          2HB       PRO  41  12.803   7.445   5.382
  330   2HB   PRO  41          1HB       PRO  41  11.164   6.895   5.743
  331   1HG   PRO  41          2HG       PRO  41  13.418   5.404   4.459
  332   2HG   PRO  41          1HG       PRO  41  12.271   4.853   5.695
  333   1HD   PRO  41          2HD       PRO  41  12.020   4.251   3.048
  334   2HD   PRO  41          1HD       PRO  41  10.635   4.397   4.148
  335    H    ASN  42           H        ASN  42  12.776   6.449   1.677
  336    HA   ASN  42           HA       ASN  42  15.082   8.042   1.743
  337   1HB   ASN  42          2HB       ASN  42  14.531   5.807   0.472
  338   2HB   ASN  42          1HB       ASN  42  14.049   6.898  -0.822
  339   1HD2  ASN  42          1HD2      ASN  42  16.666   5.550   0.947
  340   2HD2  ASN  42          2HD2      ASN  42  17.943   6.242   0.011
  341    H    TRP  43           H        TRP  43  12.030   8.388  -0.018
  342    HA   TRP  43           HA       TRP  43  12.826  11.146  -0.668
  343   1HB   TRP  43          2HB       TRP  43  11.834  10.981  -2.856
  344   2HB   TRP  43          1HB       TRP  43  12.976   9.653  -2.669
  345    HD1  TRP  43           HD       TRP  43   9.149  10.204  -2.276
  346    HE1  TRP  43           1HE      TRP  43   7.960   8.060  -3.052
  347    HE3  TRP  43           3HE      TRP  43  13.244   7.331  -3.326
  348    HZ2  TRP  43           2HZ      TRP  43   8.654   5.501  -3.986
  349    HZ3  TRP  43           3HZ      TRP  43  12.891   5.041  -4.157
  350    HH2  TRP  43           HH       TRP  43  10.638   4.151  -4.478
  351    HA   PRO  44           HA       PRO  44   8.944  12.227   1.174
  352   1HB   PRO  44          2HB       PRO  44   8.874  14.658  -0.437
  353   2HB   PRO  44          1HB       PRO  44   9.139  14.485   1.298
  354   1HG   PRO  44          2HG       PRO  44  11.090  15.262  -0.418
  355   2HG   PRO  44          1HG       PRO  44  11.417  14.359   1.072
  356   1HD   PRO  44          2HD       PRO  44  11.276  13.374  -1.753
  357   2HD   PRO  44          1HD       PRO  44  12.412  12.935  -0.459
  358    H    ILE  45           H        ILE  45   6.727  12.318   0.708
  359    HA   ILE  45           HA       ILE  45   6.004  12.077  -2.135
  360    HB   ILE  45           HB       ILE  45   4.219  10.505  -1.375
  361   1HG1  ILE  45          2HG1      ILE  45   5.081   9.095   0.652
  362   2HG1  ILE  45          1HG1      ILE  45   5.984  10.547   1.064
  363   1HG2  ILE  45          1HG2      ILE  45   5.895   9.607  -2.728
  364   2HG2  ILE  45          2HG2      ILE  45   5.897   8.552  -1.313
  365   3HG2  ILE  45          3HG2      ILE  45   7.129   9.804  -1.483
  366   1HD1  ILE  45          1HD1      ILE  45   4.197  11.415   2.027
  367   2HD1  ILE  45          2HD1      ILE  45   3.333   9.913   1.701
  368   3HD1  ILE  45          3HD1      ILE  45   3.264  11.237   0.540
  369    H    THR  46           H        THR  46   4.326  13.214  -2.768
  370    HA   THR  46           HA       THR  46   2.428  14.250  -0.795
  371    HB   THR  46           HB       THR  46   4.562  15.678  -1.558
  372    HG1  THR  46           1HG      THR  46   2.904  16.103   0.083
  373   1HG2  THR  46          1HG2      THR  46   2.350  16.876  -3.187
  374   2HG2  THR  46          2HG2      THR  46   3.634  15.886  -3.883
  375   3HG2  THR  46          3HG2      THR  46   4.030  17.400  -3.069
  376    H    ASP  47           H        ASP  47   0.318  14.496  -1.487
  377    HA   ASP  47           HA       ASP  47  -0.116  14.645  -4.400
  378   1HB   ASP  47          2HB       ASP  47  -0.626  12.341  -3.891
  379   2HB   ASP  47          1HB       ASP  47  -1.717  12.826  -2.600
  380    H    THR  48           H        THR  48  -1.667  16.101  -5.072
  381    HA   THR  48           HA       THR  48  -2.633  17.909  -3.041
  382    HB   THR  48           HB       THR  48  -1.894  18.963  -5.032
  383    HG1  THR  48           1HG      THR  48  -3.856  19.821  -4.215
  384   1HG2  THR  48          1HG2      THR  48  -1.875  17.419  -6.740
  385   2HG2  THR  48          2HG2      THR  48  -3.193  18.493  -7.211
  386   3HG2  THR  48          3HG2      THR  48  -3.548  16.935  -6.463
  387    H    LEU  49           H        LEU  49  -4.327  17.336  -1.833
  388    HA   LEU  49           HA       LEU  49  -6.611  16.148  -3.278
  389   1HB   LEU  49          2HB       LEU  49  -5.264  14.843  -1.449
  390   2HB   LEU  49          1HB       LEU  49  -6.255  15.770  -0.355
  391    HG   LEU  49           HG       LEU  49  -7.962  14.651  -2.348
  392   1HD1  LEU  49          1HD1      LEU  49  -7.563  12.343  -2.246
  393   2HD1  LEU  49          2HD1      LEU  49  -6.385  12.518  -0.945
  394   3HD1  LEU  49          3HD1      LEU  49  -5.988  13.066  -2.573
  395   1HD2  LEU  49          1HD2      LEU  49  -7.658  13.843   0.538
  396   2HD2  LEU  49          2HD2      LEU  49  -9.085  13.662  -0.481
  397   3HD2  LEU  49          3HD2      LEU  49  -8.540  15.269  -0.007
  398    H    THR  50           H        THR  50  -8.700  16.443  -1.760
  399    HA   THR  50           HA       THR  50  -8.880  19.341  -1.272
  400    HB   THR  50           HB       THR  50 -11.227  17.592  -1.948
  401    HG1  THR  50           1HG      THR  50 -10.871  18.251  -4.123
  402   1HG2  THR  50          1HG2      THR  50 -10.692  20.527  -2.321
  403   2HG2  THR  50          2HG2      THR  50 -11.805  19.793  -1.167
  404   3HG2  THR  50          3HG2      THR  50 -12.121  19.672  -2.898
  405    H    ASN  51           H        ASN  51  -9.468  20.071   0.666
  406    HA   ASN  51           HA       ASN  51 -10.914  18.290   2.496
  407   1HB   ASN  51          2HB       ASN  51  -8.401  18.530   3.042
  408   2HB   ASN  51          1HB       ASN  51  -8.809  20.177   3.505
  409   1HD2  ASN  51          1HD2      ASN  51  -8.538  20.069   5.657
  410   2HD2  ASN  51          2HD2      ASN  51  -9.423  19.018   6.703
  411    H    LEU  52           H        LEU  52 -12.743  19.505   1.734
  412    HA   LEU  52           HA       LEU  52 -12.762  22.335   2.240
  413   1HB   LEU  52          2HB       LEU  52 -14.682  20.379   1.079
  414   2HB   LEU  52          1HB       LEU  52 -15.254  21.936   1.613
  415    HG   LEU  52           HG       LEU  52 -14.590  22.907  -0.272
  416   1HD1  LEU  52          1HD1      LEU  52 -12.390  23.287   0.577
  417   2HD1  LEU  52          2HD1      LEU  52 -12.236  22.746  -1.095
  418   3HD1  LEU  52          3HD1      LEU  52 -11.911  21.627   0.227
  419   1HD2  LEU  52          1HD2      LEU  52 -13.742  20.122  -1.000
  420   2HD2  LEU  52          2HD2      LEU  52 -13.858  21.464  -2.140
  421   3HD2  LEU  52          3HD2      LEU  52 -15.303  20.884  -1.312
  422    H    ARG  53           H        ARG  53 -13.155  23.233   4.070
  423    HA   ARG  53           HA       ARG  53 -14.228  21.749   6.281
  424   1HB   ARG  53          2HB       ARG  53 -13.519  24.667   6.172
  425   2HB   ARG  53          1HB       ARG  53 -13.741  23.686   7.600
  426   1HG   ARG  53          2HG       ARG  53 -11.472  23.687   5.656
  427   2HG   ARG  53          1HG       ARG  53 -11.435  23.868   7.407
  428   1HD   ARG  53          2HD       ARG  53 -12.049  21.352   5.862
  429   2HD   ARG  53          1HD       ARG  53 -10.576  21.696   6.764
  430    HE   ARG  53           HE       ARG  53 -13.003  20.682   7.806
  431   1HH1  ARG  53          1HH1      ARG  53 -10.353  22.816   8.592
  432   2HH1  ARG  53          2HH1      ARG  53 -10.532  22.609  10.302
  433   1HH2  ARG  53          1HH2      ARG  53 -13.233  20.406  10.055
  434   2HH2  ARG  53          2HH2      ARG  53 -12.163  21.240  11.131
  435    H    GLY  54           H        GLY  54 -15.868  22.793   3.830
  436   1HA   GLY  54          2HA       GLY  54 -18.133  23.236   3.567
  437   2HA   GLY  54          1HA       GLY  54 -18.289  23.232   5.315
  438    H    ILE  55           H        ILE  55 -17.024  25.101   6.318
  439    HA   ILE  55           HA       ILE  55 -17.879  27.556   4.976
  440    HB   ILE  55           HB       ILE  55 -17.365  28.566   7.311
  441   1HG1  ILE  55          2HG1      ILE  55 -17.559  25.621   7.957
  442   2HG1  ILE  55          1HG1      ILE  55 -16.247  26.721   8.361
  443   1HG2  ILE  55          1HG2      ILE  55 -19.590  28.572   7.685
  444   2HG2  ILE  55          2HG2      ILE  55 -19.729  26.819   7.544
  445   3HG2  ILE  55          3HG2      ILE  55 -19.636  27.815   6.093
  446   1HD1  ILE  55          1HD1      ILE  55 -18.822  26.248   9.684
  447   2HD1  ILE  55          2HD1      ILE  55 -18.285  27.927   9.618
  448   3HD1  ILE  55          3HD1      ILE  55 -17.258  26.701  10.361
  449    H    GLY  56           H        GLY  56 -15.248  25.612   5.663
  450   1HA   GLY  56          2HA       GLY  56 -13.396  27.850   5.096
  451   2HA   GLY  56          1HA       GLY  56 -12.992  26.577   6.240
  452    H    GLN  57           H        GLN  57 -14.351  26.617   2.934
  453    HA   GLN  57           HA       GLN  57 -13.437  24.275   1.957
  454   1HB   GLN  57          2HB       GLN  57 -14.799  25.722   0.611
  455   2HB   GLN  57          1HB       GLN  57 -13.549  26.954   0.569
  456   1HG   GLN  57          2HG       GLN  57 -12.221  24.888  -0.542
  457   2HG   GLN  57          1HG       GLN  57 -13.868  24.521  -1.048
  458   1HE2  GLN  57          1HE2      GLN  57 -11.433  27.069  -1.006
  459   2HE2  GLN  57          2HE2      GLN  57 -11.963  27.849  -2.452
  460    H    SER  58           H        SER  58 -11.452  23.568   2.713
  461    HA   SER  58           HA       SER  58  -9.096  25.066   1.769
  462   1HB   SER  58          2HB       SER  58  -9.266  24.867   4.244
  463   2HB   SER  58          1HB       SER  58  -9.243  23.111   4.078
  464    HG   SER  58           HG       SER  58  -7.191  24.971   3.567
  465    H    ASN  59           H        ASN  59  -7.133  23.425   1.623
  466    HA   ASN  59           HA       ASN  59  -8.041  21.296  -0.180
  467   1HB   ASN  59          2HB       ASN  59  -5.309  22.561   0.127
  468   2HB   ASN  59          1HB       ASN  59  -5.728  21.317  -1.046
  469   1HD2  ASN  59          1HD2      ASN  59  -6.844  21.858  -2.866
  470   2HD2  ASN  59          2HD2      ASN  59  -7.198  23.488  -3.317
  471    H    ASN  60           H        ASN  60  -7.426  19.171   0.073
  472    HA   ASN  60           HA       ASN  60  -6.670  18.416   2.740
  473   1HB   ASN  60          2HB       ASN  60  -8.381  17.089   1.768
  474   2HB   ASN  60          1HB       ASN  60  -7.446  16.820   0.310
  475   1HD2  ASN  60          1HD2      ASN  60  -8.570  15.327   2.907
  476   2HD2  ASN  60          2HD2      ASN  60  -7.349  14.130   3.155
  477    HA   PRO  61           HA       PRO  61  -2.376  18.028   2.314
  478   1HB   PRO  61          2HB       PRO  61  -1.921  15.910   3.997
  479   2HB   PRO  61          1HB       PRO  61  -2.257  17.558   4.540
  480   1HG   PRO  61          2HG       PRO  61  -4.132  15.235   4.271
  481   2HG   PRO  61          1HG       PRO  61  -3.989  16.410   5.594
  482   1HD   PRO  61          2HD       PRO  61  -5.921  16.632   3.743
  483   2HD   PRO  61          1HD       PRO  61  -5.109  18.066   4.411
  484    H    LYS  62           H        LYS  62  -1.374  17.368   0.635
  485    HA   LYS  62           HA       LYS  62  -1.789  15.489  -1.119
  486   1HB   LYS  62          2HB       LYS  62   1.069  15.807  -0.669
  487   2HB   LYS  62          1HB       LYS  62   0.109  16.391  -2.011
  488   1HG   LYS  62          2HG       LYS  62   0.244  17.830   0.620
  489   2HG   LYS  62          1HG       LYS  62   1.379  18.110  -0.693
  490   1HD   LYS  62          2HD       LYS  62  -0.293  18.932  -2.126
  491   2HD   LYS  62          1HD       LYS  62  -1.587  18.297  -1.110
  492   1HE   LYS  62          2HE       LYS  62  -1.112  19.911   0.604
  493   2HE   LYS  62          1HE       LYS  62   0.326  20.462  -0.255
  494   1HZ   LYS  62          1HZ       LYS  62  -2.448  21.140  -0.680
  495   2HZ   LYS  62          2HZ       LYS  62  -1.594  20.805  -2.101
  496   3HZ   LYS  62          3HZ       LYS  62  -1.051  22.016  -1.053
  497    H    GLN  63           H        GLN  63  -1.799  13.342  -1.180
  498    HA   GLN  63           HA       GLN  63  -0.148  11.871   0.760
  499   1HB   GLN  63          2HB       GLN  63  -2.010  10.031  -0.096
  500   2HB   GLN  63          1HB       GLN  63  -2.060  10.915   1.419
  501   1HG   GLN  63          2HG       GLN  63  -4.065  11.615   0.791
  502   2HG   GLN  63          1HG       GLN  63  -3.241  12.651  -0.365
  503   1HE2  GLN  63          1HE2      GLN  63  -4.841   9.572   0.072
  504   2HE2  GLN  63          2HE2      GLN  63  -5.227   9.320  -1.593
  505    H    SER  64           H        SER  64   1.431  10.749  -0.027
  506    HA   SER  64           HA       SER  64   2.599  10.647  -2.353
  507   1HB   SER  64          2HB       SER  64   3.164   9.246  -0.295
  508   2HB   SER  64          1HB       SER  64   2.142   8.011  -0.998
  509    HG   SER  64           HG       SER  64   3.556   7.649  -2.531
  510    H    SER  65           H        SER  65   2.768   9.352  -4.161
  511    HA   SER  65           HA       SER  65   0.302   7.992  -5.024
  512   1HB   SER  65          2HB       SER  65   1.139  10.227  -6.189
  513   2HB   SER  65          1HB       SER  65   2.223   9.118  -7.030
  514    HG   SER  65           HG       SER  65   0.524   8.928  -8.284
  515    H    LYS  66           H        LYS  66   3.682   7.781  -4.474
  516    HA   LYS  66           HA       LYS  66   4.860   6.078  -6.108
  517   1HB   LYS  66          2HB       LYS  66   6.289   6.201  -4.397
  518   2HB   LYS  66          1HB       LYS  66   4.999   6.561  -3.267
  519   1HG   LYS  66          2HG       LYS  66   5.263   3.725  -4.052
  520   2HG   LYS  66          1HG       LYS  66   6.583   4.401  -3.102
  521   1HD   LYS  66          2HD       LYS  66   5.292   4.699  -1.254
  522   2HD   LYS  66          1HD       LYS  66   3.826   4.992  -2.190
  523   1HE   LYS  66          2HE       LYS  66   3.317   2.937  -1.354
  524   2HE   LYS  66          1HE       LYS  66   4.164   2.440  -2.818
  525   1HZ   LYS  66          1HZ       LYS  66   6.146   2.063  -1.557
  526   2HZ   LYS  66          2HZ       LYS  66   4.878   1.240  -0.800
  527   3HZ   LYS  66          3HZ       LYS  66   5.445   2.695  -0.152
  528    H    TYR  67           H        TYR  67   4.981   3.895  -6.595
  529    HA   TYR  67           HA       TYR  67   2.476   2.501  -6.425
  530   1HB   TYR  67          2HB       TYR  67   5.116   1.715  -7.663
  531   2HB   TYR  67          1HB       TYR  67   3.650   0.745  -7.758
  532    HD1  TYR  67           1HD      TYR  67   4.572   4.333  -8.361
  533    HD2  TYR  67           2HD      TYR  67   2.568   0.853  -9.764
  534    HE1  TYR  67           1HE      TYR  67   3.900   5.545 -10.389
  535    HE2  TYR  67           2HE      TYR  67   1.891   2.054 -11.794
  536    HH   TYR  67           HH       TYR  67   2.842   4.104 -13.125
  537    H    LEU  68           H        LEU  68   2.062   0.543  -5.495
  538    HA   LEU  68           HA       LEU  68   3.917  -0.252  -3.352
  539   1HB   LEU  68          2HB       LEU  68   1.605   0.587  -2.730
  540   2HB   LEU  68          1HB       LEU  68   0.965  -0.857  -3.493
  541    HG   LEU  68           HG       LEU  68   2.412  -2.188  -1.883
  542   1HD1  LEU  68          1HD1      LEU  68   2.773  -0.765   0.278
  543   2HD1  LEU  68          2HD1      LEU  68   2.839   0.580  -0.862
  544   3HD1  LEU  68          3HD1      LEU  68   3.980  -0.758  -1.007
  545   1HD2  LEU  68          1HD2      LEU  68   0.820  -1.758   0.038
  546   2HD2  LEU  68          2HD2      LEU  68   0.080  -2.152  -1.513
  547   3HD2  LEU  68          3HD2      LEU  68   0.116  -0.480  -0.954
  548    H    THR  69           H        THR  69   4.786  -2.219  -3.435
  549    HA   THR  69           HA       THR  69   3.810  -4.055  -5.511
  550    HB   THR  69           HB       THR  69   6.214  -5.059  -5.023
  551    HG1  THR  69           1HG      THR  69   6.571  -2.320  -4.398
  552   1HG2  THR  69          1HG2      THR  69   5.965  -2.505  -6.588
  553   2HG2  THR  69          2HG2      THR  69   5.457  -4.088  -7.176
  554   3HG2  THR  69          3HG2      THR  69   7.154  -3.789  -6.807
  555    H    TRP  70           H        TRP  70   2.905  -5.884  -4.927
  556    HA   TRP  70           HA       TRP  70   3.630  -7.105  -2.372
  557   1HB   TRP  70          2HB       TRP  70   1.291  -5.816  -2.524
  558   2HB   TRP  70          1HB       TRP  70   0.791  -7.347  -3.236
  559    HD1  TRP  70           HD       TRP  70   3.414  -7.633  -0.545
  560    HE1  TRP  70           1HE      TRP  70   2.359  -8.606   1.588
  561    HE3  TRP  70           3HE      TRP  70  -1.519  -7.349  -1.854
  562    HZ2  TRP  70           2HZ      TRP  70  -0.209  -9.168   2.592
  563    HZ3  TRP  70           3HZ      TRP  70  -3.211  -8.123  -0.250
  564    HH2  TRP  70           HH       TRP  70  -2.568  -9.016   1.929
  565    H    ARG  71           H        ARG  71   4.062  -9.208  -2.553
  566    HA   ARG  71           HA       ARG  71   2.957 -10.746  -4.758
  567   1HB   ARG  71          2HB       ARG  71   5.792  -9.928  -4.498
  568   2HB   ARG  71          1HB       ARG  71   5.488 -11.585  -4.995
  569   1HG   ARG  71          2HG       ARG  71   5.515 -10.656  -7.046
  570   2HG   ARG  71          1HG       ARG  71   3.825 -10.322  -6.666
  571   1HD   ARG  71          2HD       ARG  71   5.143  -8.384  -7.593
  572   2HD   ARG  71          1HD       ARG  71   4.306  -8.081  -6.076
  573    HE   ARG  71           HE       ARG  71   6.345  -7.915  -4.994
  574   1HH1  ARG  71          1HH1      ARG  71   6.816  -8.954  -8.296
  575   2HH1  ARG  71          2HH1      ARG  71   8.520  -8.651  -8.277
  576   1HH2  ARG  71          1HH2      ARG  71   8.587  -7.519  -4.974
  577   2HH2  ARG  71          2HH2      ARG  71   9.525  -7.838  -6.394
  578    H    ASP  72           H        ASP  72   2.798 -12.919  -4.333
  579    HA   ASP  72           HA       ASP  72   3.141 -13.670  -1.577
  580   1HB   ASP  72          2HB       ASP  72   2.095 -15.786  -2.216
  581   2HB   ASP  72          1HB       ASP  72   1.170 -14.435  -2.865
  582    H    LYS  73           H        LYS  73   4.204 -15.811  -1.079
  583    HA   LYS  73           HA       LYS  73   6.853 -15.783  -1.261
  584   1HB   LYS  73          2HB       LYS  73   5.179 -17.520  -0.202
  585   2HB   LYS  73          1HB       LYS  73   5.616 -18.465  -1.615
  586   1HG   LYS  73          2HG       LYS  73   8.059 -17.672  -0.723
  587   2HG   LYS  73          1HG       LYS  73   7.164 -17.842   0.788
  588   1HD   LYS  73          2HD       LYS  73   6.777 -20.107   0.449
  589   2HD   LYS  73          1HD       LYS  73   7.050 -19.993  -1.291
  590   1HE   LYS  73          2HE       LYS  73   9.133 -19.772   0.879
  591   2HE   LYS  73          1HE       LYS  73   8.909 -21.129  -0.227
  592   1HZ   LYS  73          1HZ       LYS  73  10.131 -18.528  -0.698
  593   2HZ   LYS  73          2HZ       LYS  73   9.210 -19.162  -1.969
  594   3HZ   LYS  73          3HZ       LYS  73  10.517 -20.041  -1.350
  595    H    GLU  74           H        GLU  74   4.781 -16.898  -3.862
  596    HA   GLU  74           HA       GLU  74   7.036 -17.839  -5.409
  597   1HB   GLU  74          2HB       GLU  74   4.090 -17.594  -5.992
  598   2HB   GLU  74          1HB       GLU  74   5.249 -18.053  -7.230
  599   1HG   GLU  74          2HG       GLU  74   5.885 -20.006  -5.970
  600   2HG   GLU  74          1HG       GLU  74   4.838 -19.522  -4.636
  601    H    ASN  75           H        ASN  75   6.870 -15.020  -4.507
  602    HA   ASN  75           HA       ASN  75   7.125 -12.895  -5.257
  603   1HB   ASN  75          2HB       ASN  75   8.692 -12.648  -7.131
  604   2HB   ASN  75          1HB       ASN  75   9.228 -13.891  -6.004
  605   1HD2  ASN  75          1HD2      ASN  75   8.247 -13.176  -9.202
  606   2HD2  ASN  75          2HD2      ASN  75   8.453 -14.760  -9.860
  607    H    ASN  76           H        ASN  76   4.585 -13.409  -5.679
  608    HA   ASN  76           HA       ASN  76   3.963 -11.807  -7.948
  609   1HB   ASN  76          2HB       ASN  76   2.968 -13.309  -9.440
  610   2HB   ASN  76          1HB       ASN  76   4.455 -14.114  -8.954
  611   1HD2  ASN  76          1HD2      ASN  76   4.076 -15.458  -6.840
  612   2HD2  ASN  76          2HD2      ASN  76   2.713 -16.517  -6.909
  613    H    SER  77           H        SER  77   2.032 -10.844  -7.761
  614    HA   SER  77           HA       SER  77  -0.264 -11.954  -6.592
  615   1HB   SER  77          2HB       SER  77   1.420 -10.272  -4.789
  616   2HB   SER  77          1HB       SER  77  -0.322 -10.330  -4.591
  617    HG   SER  77           HG       SER  77   1.132 -11.920  -3.419
  618    H    GLY  78           H        GLY  78   1.197  -8.705  -6.375
  619   1HA   GLY  78          2HA       GLY  78  -0.265  -7.650  -8.567
  620   2HA   GLY  78          1HA       GLY  78  -1.089  -7.283  -7.061
  621    H    LEU  79           H        LEU  79   0.115  -5.438  -8.951
  622    HA   LEU  79           HA       LEU  79   1.651  -3.883  -7.064
  623   1HB   LEU  79          2HB       LEU  79   3.534  -4.964  -7.889
  624   2HB   LEU  79          1HB       LEU  79   2.871  -5.109  -9.504
  625    HG   LEU  79           HG       LEU  79   3.264  -2.740  -9.915
  626   1HD1  LEU  79          1HD1      LEU  79   3.087  -1.506  -8.027
  627   2HD1  LEU  79          2HD1      LEU  79   4.840  -1.704  -8.030
  628   3HD1  LEU  79          3HD1      LEU  79   3.836  -2.740  -7.015
  629   1HD2  LEU  79          1HD2      LEU  79   5.134  -3.768 -10.659
  630   2HD2  LEU  79          2HD2      LEU  79   5.439  -4.570  -9.120
  631   3HD2  LEU  79          3HD2      LEU  79   5.875  -2.876  -9.331
  632    H    ILE  80           H        ILE  80   0.876  -1.864  -7.218
  633    HA   ILE  80           HA       ILE  80   0.487  -0.630  -9.804
  634    HB   ILE  80           HB       ILE  80  -1.791  -0.123  -9.697
  635   1HG1  ILE  80          2HG1      ILE  80  -2.956  -1.301  -7.487
  636   2HG1  ILE  80          1HG1      ILE  80  -1.470  -0.615  -6.834
  637   1HG2  ILE  80          1HG2      ILE  80  -2.915  -2.290  -9.606
  638   2HG2  ILE  80          2HG2      ILE  80  -1.517  -2.981  -8.784
  639   3HG2  ILE  80          3HG2      ILE  80  -1.365  -2.395 -10.441
  640   1HD1  ILE  80          1HD1      ILE  80  -3.905   0.684  -7.495
  641   2HD1  ILE  80          2HD1      ILE  80  -2.625   1.326  -8.522
  642   3HD1  ILE  80          3HD1      ILE  80  -2.448   1.361  -6.769
  643    H    LYS  81           H        LYS  81  -0.792   1.661  -9.233
  644    HA   LYS  81           HA       LYS  81   0.964   2.859  -7.208
  645   1HB   LYS  81          2HB       LYS  81   0.449   5.005  -8.340
  646   2HB   LYS  81          1HB       LYS  81   1.210   3.825  -9.394
  647   1HG   LYS  81          2HG       LYS  81  -1.562   3.442  -9.649
  648   2HG   LYS  81          1HG       LYS  81  -1.285   5.184  -9.701
  649   1HD   LYS  81          2HD       LYS  81   0.486   4.758 -11.423
  650   2HD   LYS  81          1HD       LYS  81  -0.034   3.073 -11.456
  651   1HE   LYS  81          2HE       LYS  81  -2.197   3.673 -12.251
  652   2HE   LYS  81          1HE       LYS  81  -1.894   5.386 -11.962
  653   1HZ   LYS  81          1HZ       LYS  81  -1.689   4.447 -14.340
  654   2HZ   LYS  81          2HZ       LYS  81  -0.179   3.884 -13.828
  655   3HZ   LYS  81          3HZ       LYS  81  -0.521   5.540 -13.789
  656    HA   PRO  82           HA       PRO  82  -2.981   3.412  -4.993
  657   1HB   PRO  82          2HB       PRO  82  -2.135   2.781  -2.565
  658   2HB   PRO  82          1HB       PRO  82  -2.345   1.521  -3.786
  659   1HG   PRO  82          2HG       PRO  82   0.163   2.833  -2.835
  660   2HG   PRO  82          1HG       PRO  82  -0.133   1.131  -3.235
  661   1HD   PRO  82          2HD       PRO  82   1.042   3.012  -4.925
  662   2HD   PRO  82          1HD       PRO  82   0.347   1.466  -5.428
  663    H    PHE  83           H        PHE  83  -3.155   4.489  -2.616
  664    HA   PHE  83           HA       PHE  83  -1.722   7.047  -2.807
  665   1HB   PHE  83          2HB       PHE  83  -4.563   6.390  -2.349
  666   2HB   PHE  83          1HB       PHE  83  -3.907   7.654  -1.312
  667    HD1  PHE  83           1HD      PHE  83  -2.083   9.088  -2.977
  668    HD2  PHE  83           2HD      PHE  83  -5.843   7.377  -3.988
  669    HE1  PHE  83           1HE      PHE  83  -2.324  10.715  -4.805
  670    HE2  PHE  83           2HE      PHE  83  -6.095   9.003  -5.819
  671    HZ   PHE  83           HZ       PHE  83  -4.333  10.676  -6.229
  672    H    VAL  84           H        VAL  84  -0.351   7.418  -1.234
  673    HA   VAL  84           HA       VAL  84  -0.594   5.995   1.292
  674    HB   VAL  84           HB       VAL  84   1.831   7.498   0.420
  675   1HG1  VAL  84          1HG1      VAL  84   2.970   6.236   1.938
  676   2HG1  VAL  84          2HG1      VAL  84   1.759   4.953   1.938
  677   3HG1  VAL  84          3HG1      VAL  84   1.414   6.489   2.727
  678   1HG2  VAL  84          1HG2      VAL  84   2.329   4.844  -0.212
  679   2HG2  VAL  84          2HG2      VAL  84   2.099   6.166  -1.353
  680   3HG2  VAL  84          3HG2      VAL  84   0.730   5.159  -0.883
  681    H    ILE  85           H        ILE  85  -1.521   7.132   2.854
  682    HA   ILE  85           HA       ILE  85  -0.965  10.023   3.006
  683    HB   ILE  85           HB       ILE  85  -3.374   8.750   4.275
  684   1HG1  ILE  85          2HG1      ILE  85  -4.225  10.015   1.915
  685   2HG1  ILE  85          1HG1      ILE  85  -2.861   9.011   1.437
  686   1HG2  ILE  85          1HG2      ILE  85  -4.217  11.146   3.681
  687   2HG2  ILE  85          2HG2      ILE  85  -2.495  11.511   3.559
  688   3HG2  ILE  85          3HG2      ILE  85  -3.161  10.899   5.073
  689   1HD1  ILE  85          1HD1      ILE  85  -3.922   7.055   2.076
  690   2HD1  ILE  85          2HD1      ILE  85  -5.208   8.013   1.343
  691   3HD1  ILE  85          3HD1      ILE  85  -5.081   7.902   3.099
  692    HA   PRO  86           HA       PRO  86   0.729   9.092   6.984
  693   1HB   PRO  86          2HB       PRO  86   0.598  11.754   7.934
  694   2HB   PRO  86          1HB       PRO  86   1.944  10.992   7.090
  695   1HG   PRO  86          2HG       PRO  86   0.332  13.074   6.119
  696   2HG   PRO  86          1HG       PRO  86   1.479  12.106   5.182
  697   1HD   PRO  86          2HD       PRO  86  -1.475  11.887   5.370
  698   2HD   PRO  86          1HD       PRO  86  -0.393  11.490   4.020
  699    H    ASN  87           H        ASN  87  -2.066   8.570   6.871
  700    HA   ASN  87           HA       ASN  87  -2.743   9.231   9.624
  701   1HB   ASN  87          2HB       ASN  87  -3.892  10.720   7.760
  702   2HB   ASN  87          1HB       ASN  87  -4.966   9.330   7.643
  703   1HD2  ASN  87          1HD2      ASN  87  -3.399  11.181  10.239
  704   2HD2  ASN  87          2HD2      ASN  87  -4.824  11.361  11.199
  705    H    LEU  88           H        LEU  88  -2.171   6.820   7.560
  706    HA   LEU  88           HA       LEU  88  -2.613   4.590   7.591
  707   1HB   LEU  88          2HB       LEU  88  -2.408   4.741  10.002
  708   2HB   LEU  88          1HB       LEU  88  -4.058   5.305  10.143
  709    HG   LEU  88           HG       LEU  88  -4.279   2.857   8.826
  710   1HD1  LEU  88          1HD1      LEU  88  -2.447   2.508  11.184
  711   2HD1  LEU  88          2HD1      LEU  88  -1.877   2.509   9.516
  712   3HD1  LEU  88          3HD1      LEU  88  -3.021   1.280  10.057
  713   1HD2  LEU  88          1HD2      LEU  88  -5.947   3.071  10.305
  714   2HD2  LEU  88          2HD2      LEU  88  -4.973   4.043  11.409
  715   3HD2  LEU  88          3HD2      LEU  88  -4.844   2.284  11.434
  716    HA   PRO  89           HA       PRO  89  -6.729   5.298   5.687
  717   1HB   PRO  89          2HB       PRO  89  -5.618   3.961   3.356
  718   2HB   PRO  89          1HB       PRO  89  -6.200   5.620   3.506
  719   1HG   PRO  89          2HG       PRO  89  -3.578   5.027   3.148
  720   2HG   PRO  89          1HG       PRO  89  -4.123   6.437   4.071
  721   1HD   PRO  89          2HD       PRO  89  -3.236   3.750   5.072
  722   2HD   PRO  89          1HD       PRO  89  -2.765   5.370   5.634
  723    H    VAL  90           H        VAL  90  -5.647   2.958   7.314
  724    HA   VAL  90           HA       VAL  90  -6.473   0.933   7.942
  725    HB   VAL  90           HB       VAL  90  -8.318   1.155   5.584
  726   1HG1  VAL  90          1HG1      VAL  90  -9.611  -0.237   7.573
  727   2HG1  VAL  90          2HG1      VAL  90  -7.951  -0.819   7.696
  728   3HG1  VAL  90          3HG1      VAL  90  -8.819  -0.947   6.166
  729   1HG2  VAL  90          1HG2      VAL  90  -9.499   2.703   6.655
  730   2HG2  VAL  90          2HG2      VAL  90  -8.213   2.793   7.860
  731   3HG2  VAL  90          3HG2      VAL  90  -9.575   1.700   8.104
  732    H    ASN  91           H        ASN  91  -4.761   1.558   5.253
  733    HA   ASN  91           HA       ASN  91  -3.498   0.326   3.819
  734   1HB   ASN  91          2HB       ASN  91  -3.146  -0.820   6.180
  735   2HB   ASN  91          1HB       ASN  91  -3.994  -2.156   5.408
  736   1HD2  ASN  91          1HD2      ASN  91  -2.896  -3.473   4.108
  737   2HD2  ASN  91          2HD2      ASN  91  -1.262  -3.235   3.602
  738    H    LEU  92           H        LEU  92  -5.694   0.677   2.566
  739    HA   LEU  92           HA       LEU  92  -7.132  -1.779   2.041
  740   1HB   LEU  92          2HB       LEU  92  -7.418   1.065   1.230
  741   2HB   LEU  92          1HB       LEU  92  -7.988  -0.129   0.089
  742    HG   LEU  92           HG       LEU  92  -9.881   0.445   1.334
  743   1HD1  LEU  92          1HD1      LEU  92 -10.581  -1.615   1.894
  744   2HD1  LEU  92          2HD1      LEU  92  -9.240  -1.883   3.009
  745   3HD1  LEU  92          3HD1      LEU  92  -9.004  -2.108   1.276
  746   1HD2  LEU  92          1HD2      LEU  92  -9.959   0.544   3.757
  747   2HD2  LEU  92          2HD2      LEU  92  -8.715   1.629   3.136
  748   3HD2  LEU  92          3HD2      LEU  92  -8.260   0.081   3.849
  749    H    TRP  93           H        TRP  93  -7.383  -2.631  -0.084
  750    HA   TRP  93           HA       TRP  93  -4.980  -2.279  -1.734
  751   1HB   TRP  93          2HB       TRP  93  -5.954  -4.635  -0.502
  752   2HB   TRP  93          1HB       TRP  93  -6.241  -4.804  -2.229
  753    HD1  TRP  93           HD       TRP  93  -4.287  -5.836  -3.490
  754    HE1  TRP  93           1HE      TRP  93  -1.738  -5.957  -3.165
  755    HE3  TRP  93           3HE      TRP  93  -3.882  -3.043   0.768
  756    HZ2  TRP  93           2HZ      TRP  93   0.182  -5.000  -1.343
  757    HZ3  TRP  93           3HZ      TRP  93  -1.649  -2.695   1.742
  758    HH2  TRP  93           HH       TRP  93   0.344  -3.655   0.708
  759    H    GLY  94           H        GLY  94  -5.417  -3.051  -4.040
  760   1HA   GLY  94          2HA       GLY  94  -7.934  -1.786  -4.865
  761   2HA   GLY  94          1HA       GLY  94  -6.484  -1.906  -5.840
  762    H    ARG  95           H        ARG  95  -9.317  -2.721  -6.335
  763    HA   ARG  95           HA       ARG  95  -9.813  -5.406  -6.191
  764   1HB   ARG  95          2HB       ARG  95 -11.527  -4.018  -7.009
  765   2HB   ARG  95          1HB       ARG  95 -10.520  -3.371  -8.282
  766   1HG   ARG  95          2HG       ARG  95 -11.212  -4.915  -9.710
  767   2HG   ARG  95          1HG       ARG  95 -10.790  -6.212  -8.593
  768   1HD   ARG  95          2HD       ARG  95 -13.370  -4.680  -8.767
  769   2HD   ARG  95          1HD       ARG  95 -13.109  -6.407  -9.011
  770    HE   ARG  95           HE       ARG  95 -12.418  -5.433  -6.387
  771   1HH1  ARG  95          1HH1      ARG  95 -14.928  -6.780  -8.404
  772   2HH1  ARG  95          2HH1      ARG  95 -15.817  -7.436  -7.073
  773   1HH2  ARG  95          1HH2      ARG  95 -13.584  -6.301  -4.639
  774   2HH2  ARG  95          2HH2      ARG  95 -15.058  -7.162  -4.936
  775    H    ASP  96           H        ASP  96  -7.661  -3.783  -8.462
  776    HA   ASP  96           HA       ASP  96  -7.340  -5.900 -10.272
  777   1HB   ASP  96          2HB       ASP  96  -6.331  -3.335 -10.016
  778   2HB   ASP  96          1HB       ASP  96  -4.904  -4.348  -9.835
  779    H    LEU  97           H        LEU  97  -5.400  -5.026  -7.416
  780    HA   LEU  97           HA       LEU  97  -3.613  -7.189  -7.654
  781   1HB   LEU  97          2HB       LEU  97  -4.315  -5.380  -5.366
  782   2HB   LEU  97          1HB       LEU  97  -3.146  -6.679  -5.200
  783    HG   LEU  97           HG       LEU  97  -2.037  -5.580  -7.296
  784   1HD1  LEU  97          1HD1      LEU  97  -3.500  -3.936  -7.956
  785   2HD1  LEU  97          2HD1      LEU  97  -2.343  -3.025  -6.982
  786   3HD1  LEU  97          3HD1      LEU  97  -3.905  -3.481  -6.302
  787   1HD2  LEU  97          1HD2      LEU  97  -1.891  -4.329  -4.559
  788   2HD2  LEU  97          2HD2      LEU  97  -0.677  -4.184  -5.831
  789   3HD2  LEU  97          3HD2      LEU  97  -1.006  -5.755  -5.100
  790    H    LEU  98           H        LEU  98  -6.685  -6.884  -5.887
  791    HA   LEU  98           HA       LEU  98  -6.359  -9.380  -4.536
  792   1HB   LEU  98          2HB       LEU  98  -8.840  -7.736  -5.046
  793   2HB   LEU  98          1HB       LEU  98  -8.806  -9.186  -4.062
  794    HG   LEU  98           HG       LEU  98  -8.664  -7.572  -2.443
  795   1HD1  LEU  98          1HD1      LEU  98  -6.525  -9.071  -2.608
  796   2HD1  LEU  98          2HD1      LEU  98  -6.598  -7.736  -1.458
  797   3HD1  LEU  98          3HD1      LEU  98  -5.733  -7.540  -2.982
  798   1HD2  LEU  98          1HD2      LEU  98  -6.695  -5.844  -3.828
  799   2HD2  LEU  98          2HD2      LEU  98  -8.005  -5.416  -2.724
  800   3HD2  LEU  98          3HD2      LEU  98  -8.365  -5.833  -4.399
  801    H    SER  99           H        SER  99  -7.687  -8.411  -7.612
  802    HA   SER  99           HA       SER  99  -9.109 -10.802  -8.167
  803   1HB   SER  99          2HB       SER  99  -8.511  -8.334  -9.519
  804   2HB   SER  99          1HB       SER  99  -8.212  -9.683 -10.611
  805    HG   SER  99           HG       SER  99 -10.589  -9.424  -9.092
  806    H    GLN 100           H        GLN 100  -5.779  -9.797  -8.638
  807    HA   GLN 100           HA       GLN 100  -5.096 -12.194 -10.109
  808   1HB   GLN 100          2HB       GLN 100  -3.538  -9.795  -9.170
  809   2HB   GLN 100          1HB       GLN 100  -2.733 -11.208  -9.840
  810   1HG   GLN 100          2HG       GLN 100  -4.017 -10.945 -11.910
  811   2HG   GLN 100          1HG       GLN 100  -4.789  -9.510 -11.236
  812   1HE2  GLN 100          1HE2      GLN 100  -4.002  -7.780 -12.183
  813   2HE2  GLN 100          2HE2      GLN 100  -2.338  -7.475 -12.531
  814    H    MET 101           H        MET 101  -4.192 -10.719  -6.976
  815    HA   MET 101           HA       MET 101  -2.560 -12.632  -5.913
  816   1HB   MET 101          2HB       MET 101  -3.876 -10.461  -4.895
  817   2HB   MET 101          1HB       MET 101  -4.661 -11.772  -4.033
  818   1HG   MET 101          2HG       MET 101  -2.703 -12.425  -2.985
  819   2HG   MET 101          1HG       MET 101  -1.683 -11.606  -4.165
  820   1HE   MET 101          1HE       MET 101  -2.485  -9.175  -4.712
  821   2HE   MET 101          2HE       MET 101  -1.684  -8.121  -3.551
  822   3HE   MET 101          3HE       MET 101  -3.446  -8.195  -3.605
  823    H    LYS 102           H        LYS 102  -6.098 -12.606  -5.724
  824    HA   LYS 102           HA       LYS 102  -6.161 -15.337  -4.774
  825   1HB   LYS 102          2HB       LYS 102  -7.838 -13.214  -4.411
  826   2HB   LYS 102          1HB       LYS 102  -8.677 -14.091  -5.683
  827   1HG   LYS 102          2HG       LYS 102  -9.433 -14.705  -3.424
  828   2HG   LYS 102          1HG       LYS 102  -8.775 -16.072  -4.323
  829   1HD   LYS 102          2HD       LYS 102  -6.752 -14.671  -2.767
  830   2HD   LYS 102          1HD       LYS 102  -8.063 -15.303  -1.769
  831   1HE   LYS 102          2HE       LYS 102  -7.652 -17.440  -3.310
  832   2HE   LYS 102          1HE       LYS 102  -6.036 -16.739  -3.388
  833   1HZ   LYS 102          1HZ       LYS 102  -6.610 -16.603  -0.757
  834   2HZ   LYS 102          2HZ       LYS 102  -5.714 -17.837  -1.487
  835   3HZ   LYS 102          3HZ       LYS 102  -7.366 -18.052  -1.196
  836    H    ILE 103           H        ILE 103  -6.444 -13.573  -7.751
  837    HA   ILE 103           HA       ILE 103  -6.629 -14.168  -9.894
  838    HB   ILE 103           HB       ILE 103  -4.889 -15.821  -9.113
  839   1HG1  ILE 103          2HG1      ILE 103  -4.960 -17.029 -11.306
  840   2HG1  ILE 103          1HG1      ILE 103  -6.563 -16.349 -11.565
  841   1HG2  ILE 103          1HG2      ILE 103  -5.668 -17.662  -8.102
  842   2HG2  ILE 103          2HG2      ILE 103  -6.003 -18.238  -9.733
  843   3HG2  ILE 103          3HG2      ILE 103  -7.279 -17.475  -8.790
  844   1HD1  ILE 103          1HD1      ILE 103  -4.279 -15.237 -12.449
  845   2HD1  ILE 103          2HD1      ILE 103  -4.470 -14.402 -10.907
  846   3HD1  ILE 103          3HD1      ILE 103  -5.755 -14.332 -12.112
  847    H    MET 104           H        MET 104  -8.837 -13.948  -8.286
  848    HA   MET 104           HA       MET 104 -10.757 -15.994  -8.695
  849   1HB   MET 104          2HB       MET 104 -10.690 -13.322  -7.589
  850   2HB   MET 104          1HB       MET 104 -12.107 -13.515  -8.610
  851   1HG   MET 104          2HG       MET 104 -13.107 -14.450  -6.875
  852   2HG   MET 104          1HG       MET 104 -12.043 -15.837  -7.108
  853   1HE   MET 104          1HE       MET 104 -11.551 -12.326  -4.292
  854   2HE   MET 104          2HE       MET 104 -11.962 -12.295  -6.006
  855   3HE   MET 104          3HE       MET 104 -10.271 -12.355  -5.506
  856    H    MET 105           H        MET 105 -12.908 -15.006 -10.021
  857    HA   MET 105           HA       MET 105 -12.046 -15.208 -12.720
  858   1HB   MET 105          2HB       MET 105 -14.471 -14.541 -13.207
  859   2HB   MET 105          1HB       MET 105 -14.214 -16.026 -12.300
  860   1HG   MET 105          2HG       MET 105 -14.903 -15.057 -10.290
  861   2HG   MET 105          1HG       MET 105 -14.735 -13.419 -10.921
  862   1HE   MET 105          1HE       MET 105 -16.469 -12.092 -11.937
  863   2HE   MET 105          2HE       MET 105 -17.911 -12.681 -12.765
  864   3HE   MET 105          3HE       MET 105 -16.315 -12.977 -13.455
  865    H    ALA 106           H        ALA 106 -10.427 -13.420 -12.499
  866    HA   ALA 106           HA       ALA 106 -11.627 -10.752 -12.757
  867   1HB   ALA 106          1HB       ALA 106  -9.621 -11.380 -11.207
  868   2HB   ALA 106          2HB       ALA 106  -9.617  -9.852 -12.090
  869   3HB   ALA 106          3HB       ALA 106  -8.682 -11.220 -12.692
  870    H    SER 107           H        SER 107 -12.430 -10.960 -14.879
  871    HA   SER 107           HA       SER 107 -10.456 -10.432 -16.920
  872   1HB   SER 107          2HB       SER 107 -11.319 -12.215 -18.441
  873   2HB   SER 107          1HB       SER 107 -10.480 -12.851 -17.027
  874    HG   SER 107           HG       SER 107 -12.276 -13.725 -16.359
  Start of MODEL    4
    1   1H    TRP   1          1HT       TRP   1   7.315 -19.542   6.181
    2   2H    TRP   1          2HT       TRP   1   8.754 -20.347   5.704
    3   3H    TRP   1          3HT       TRP   1   7.235 -21.129   5.537
    4    HA   TRP   1           HA       TRP   1   8.356 -18.897   4.009
    5   1HB   TRP   1          2HB       TRP   1   7.162 -21.601   3.361
    6   2HB   TRP   1          1HB       TRP   1   7.604 -20.411   2.142
    7    HD1  TRP   1           HD       TRP   1  10.411 -19.503   2.939
    8    HE1  TRP   1           1HE      TRP   1  12.405 -21.129   3.005
    9    HE3  TRP   1           3HE      TRP   1   7.854 -23.908   3.388
   10    HZ2  TRP   1           2HZ      TRP   1  12.838 -23.911   3.217
   11    HZ3  TRP   1           3HZ      TRP   1   9.133 -26.006   3.515
   12    HH2  TRP   1           HH       TRP   1  11.573 -26.006   3.430
   13    H    VAL   2           H        VAL   2   6.646 -18.674   2.022
   14    HA   VAL   2           HA       VAL   2   4.252 -17.586   3.296
   15    HB   VAL   2           HB       VAL   2   5.595 -17.097   0.654
   16   1HG1  VAL   2          1HG1      VAL   2   3.446 -17.082  -0.161
   17   2HG1  VAL   2          2HG1      VAL   2   3.614 -15.411   0.379
   18   3HG1  VAL   2          3HG1      VAL   2   2.750 -16.579   1.379
   19   1HG2  VAL   2          1HG2      VAL   2   5.206 -14.692   1.577
   20   2HG2  VAL   2          2HG2      VAL   2   6.512 -15.691   2.216
   21   3HG2  VAL   2          3HG2      VAL   2   5.006 -15.529   3.117
   22    H    GLN   3           H        GLN   3   2.152 -18.047   2.561
   23    HA   GLN   3           HA       GLN   3   1.795 -20.138   0.572
   24   1HB   GLN   3          2HB       GLN   3   0.297 -21.403   2.228
   25   2HB   GLN   3          1HB       GLN   3   2.036 -21.584   2.399
   26   1HG   GLN   3          2HG       GLN   3   1.287 -19.384   3.987
   27   2HG   GLN   3          1HG       GLN   3   0.121 -20.667   4.301
   28   1HE2  GLN   3          1HE2      GLN   3   3.383 -19.619   4.638
   29   2HE2  GLN   3          2HE2      GLN   3   3.930 -20.923   5.630
   30    HA   PRO   4           HA       PRO   4  -1.963 -17.982  -0.250
   31   1HB   PRO   4          2HB       PRO   4  -3.630 -19.973  -1.037
   32   2HB   PRO   4          1HB       PRO   4  -2.289 -19.399  -2.035
   33   1HG   PRO   4          2HG       PRO   4  -2.435 -21.807  -0.261
   34   2HG   PRO   4          1HG       PRO   4  -1.751 -21.657  -1.890
   35   1HD   PRO   4          2HD       PRO   4  -0.220 -21.646   0.345
   36   2HD   PRO   4          1HD       PRO   4   0.214 -20.735  -1.115
   37    H    ILE   5           H        ILE   5  -3.532 -17.178   1.007
   38    HA   ILE   5           HA       ILE   5  -4.142 -18.353   3.520
   39    HB   ILE   5           HB       ILE   5  -4.156 -15.943   3.284
   40   1HG1  ILE   5          2HG1      ILE   5  -6.365 -15.434   4.301
   41   2HG1  ILE   5          1HG1      ILE   5  -6.920 -17.041   3.846
   42   1HG2  ILE   5          1HG2      ILE   5  -6.459 -16.356   1.385
   43   2HG2  ILE   5          2HG2      ILE   5  -4.853 -15.750   0.980
   44   3HG2  ILE   5          3HG2      ILE   5  -5.923 -14.796   2.006
   45   1HD1  ILE   5          1HD1      ILE   5  -6.232 -17.711   5.839
   46   2HD1  ILE   5          2HD1      ILE   5  -5.376 -16.196   6.129
   47   3HD1  ILE   5          3HD1      ILE   5  -4.582 -17.504   5.251
   48    H    THR   6           H        THR   6  -5.682 -19.736   4.080
   49    HA   THR   6           HA       THR   6  -7.499 -20.747   2.075
   50    HB   THR   6           HB       THR   6  -8.264 -22.125   4.190
   51    HG1  THR   6           1HG      THR   6  -7.066 -20.810   5.654
   52   1HG2  THR   6          1HG2      THR   6  -5.891 -22.432   2.480
   53   2HG2  THR   6          2HG2      THR   6  -7.235 -23.535   2.777
   54   3HG2  THR   6          3HG2      THR   6  -5.924 -23.404   3.951
   55    H    ALA   7           H        ALA   7  -9.833 -20.952   2.496
   56    HA   ALA   7           HA       ALA   7 -11.876 -20.030   2.923
   57   1HB   ALA   7          1HB       ALA   7 -12.369 -19.545   5.111
   58   2HB   ALA   7          2HB       ALA   7 -10.853 -18.684   5.376
   59   3HB   ALA   7          3HB       ALA   7 -10.866 -20.446   5.316
   60    H    GLN   8           H        GLN   8 -12.574 -17.581   4.132
   61    HA   GLN   8           HA       GLN   8 -11.219 -15.629   2.386
   62   1HB   GLN   8          2HB       GLN   8 -14.180 -15.832   2.972
   63   2HB   GLN   8          1HB       GLN   8 -13.420 -14.514   2.090
   64   1HG   GLN   8          2HG       GLN   8 -13.195 -17.369   1.203
   65   2HG   GLN   8          1HG       GLN   8 -14.540 -16.335   0.727
   66   1HE2  GLN   8          1HE2      GLN   8 -14.265 -15.657  -1.267
   67   2HE2  GLN   8          2HE2      GLN   8 -12.781 -15.117  -1.968
   68    H    LYS   9           H        LYS   9  -9.993 -14.619   3.842
   69    HA   LYS   9           HA       LYS   9 -11.344 -12.920   5.763
   70   1HB   LYS   9          2HB       LYS   9  -9.869 -13.573   7.623
   71   2HB   LYS   9          1HB       LYS   9 -10.880 -14.913   7.097
   72   1HG   LYS   9          2HG       LYS   9  -8.252 -14.761   5.798
   73   2HG   LYS   9          1HG       LYS   9  -8.217 -15.074   7.535
   74   1HD   LYS   9          2HD       LYS   9 -10.150 -16.626   5.905
   75   2HD   LYS   9          1HD       LYS   9  -8.439 -17.024   5.733
   76   1HE   LYS   9          2HE       LYS   9  -9.054 -18.423   7.453
   77   2HE   LYS   9          1HE       LYS   9  -8.475 -17.016   8.345
   78   1HZ   LYS   9          1HZ       LYS   9 -10.589 -17.850   9.203
   79   2HZ   LYS   9          2HZ       LYS   9 -11.320 -17.577   7.702
   80   3HZ   LYS   9          3HZ       LYS   9 -10.743 -16.272   8.611
   81    HA   PRO  10           HA       PRO  10  -8.235 -10.169   4.243
   82   1HB   PRO  10          2HB       PRO  10  -8.228  -8.317   6.236
   83   2HB   PRO  10          1HB       PRO  10  -9.516  -8.436   5.034
   84   1HG   PRO  10          2HG       PRO  10  -9.441  -9.483   7.837
   85   2HG   PRO  10          1HG       PRO  10 -10.760  -8.659   6.986
   86   1HD   PRO  10          2HD       PRO  10 -10.698 -11.342   7.301
   87   2HD   PRO  10          1HD       PRO  10 -11.400 -10.571   5.864
   88    H    SER  11           H        SER  11  -6.909 -12.301   5.057
   89    HA   SER  11           HA       SER  11  -4.618 -11.169   6.421
   90   1HB   SER  11          2HB       SER  11  -5.843 -13.696   7.539
   91   2HB   SER  11          1HB       SER  11  -4.489 -12.774   8.193
   92    HG   SER  11           HG       SER  11  -5.901 -11.667   9.262
   93    H    LEU  12           H        LEU  12  -3.150 -11.586   4.900
   94    HA   LEU  12           HA       LEU  12  -2.658 -14.367   4.187
   95   1HB   LEU  12          2HB       LEU  12  -4.066 -13.598   2.386
   96   2HB   LEU  12          1HB       LEU  12  -3.098 -12.151   2.196
   97    HG   LEU  12           HG       LEU  12  -1.361 -13.290   1.140
   98   1HD1  LEU  12          1HD1      LEU  12  -0.677 -15.135   2.201
   99   2HD1  LEU  12          2HD1      LEU  12  -1.759 -15.977   1.093
  100   3HD1  LEU  12          3HD1      LEU  12  -2.308 -15.565   2.717
  101   1HD2  LEU  12          1HD2      LEU  12  -2.792 -15.058  -0.339
  102   2HD2  LEU  12          2HD2      LEU  12  -2.761 -13.317  -0.613
  103   3HD2  LEU  12          3HD2      LEU  12  -4.074 -14.041   0.317
  104    H    THR  13           H        THR  13  -0.527 -14.823   4.154
  105    HA   THR  13           HA       THR  13   1.306 -12.602   4.617
  106    HB   THR  13           HB       THR  13   1.961 -15.541   4.735
  107    HG1  THR  13           1HG      THR  13   1.370 -15.496   6.870
  108   1HG2  THR  13          1HG2      THR  13   3.148 -13.280   6.309
  109   2HG2  THR  13          2HG2      THR  13   3.828 -13.870   4.793
  110   3HG2  THR  13          3HG2      THR  13   3.720 -14.943   6.188
  111    H    LEU  14           H        LEU  14   2.271 -11.726   2.965
  112    HA   LEU  14           HA       LEU  14   3.518 -13.415   0.931
  113   1HB   LEU  14          2HB       LEU  14   2.004 -10.923   0.201
  114   2HB   LEU  14          1HB       LEU  14   2.786 -12.038  -0.887
  115    HG   LEU  14           HG       LEU  14   0.316 -12.561   0.758
  116   1HD1  LEU  14          1HD1      LEU  14   0.778 -12.154  -2.185
  117   2HD1  LEU  14          2HD1      LEU  14  -0.229 -11.192  -1.101
  118   3HD1  LEU  14          3HD1      LEU  14  -0.705 -12.838  -1.520
  119   1HD2  LEU  14          1HD2      LEU  14   0.681 -14.729   0.557
  120   2HD2  LEU  14          2HD2      LEU  14   2.212 -14.408  -0.256
  121   3HD2  LEU  14          3HD2      LEU  14   0.731 -14.560  -1.198
  122    H    TRP  15           H        TRP  15   5.032 -11.890  -0.464
  123    HA   TRP  15           HA       TRP  15   6.328 -10.173   1.524
  124   1HB   TRP  15          2HB       TRP  15   8.356 -10.877   0.844
  125   2HB   TRP  15          1HB       TRP  15   7.429 -12.266   0.322
  126    HD1  TRP  15           HD       TRP  15   6.374 -10.595  -2.434
  127    HE1  TRP  15           1HE      TRP  15   8.081 -10.498  -4.363
  128    HE3  TRP  15           3HE      TRP  15  10.666 -11.642   0.152
  129    HZ2  TRP  15           2HZ      TRP  15  10.835 -10.822  -4.759
  130    HZ3  TRP  15           3HZ      TRP  15  12.785 -11.733  -1.086
  131    HH2  TRP  15           HH       TRP  15  12.870 -11.335  -3.486
  132    H    LEU  16           H        LEU  16   7.133  -8.218   1.075
  133    HA   LEU  16           HA       LEU  16   6.519  -6.959  -1.476
  134   1HB   LEU  16          2HB       LEU  16   5.523  -4.997  -0.263
  135   2HB   LEU  16          1HB       LEU  16   4.538  -6.449  -0.276
  136    HG   LEU  16           HG       LEU  16   5.894  -6.762   2.068
  137   1HD1  LEU  16          1HD1      LEU  16   6.827  -4.418   1.635
  138   2HD1  LEU  16          2HD1      LEU  16   6.129  -4.748   3.220
  139   3HD1  LEU  16          3HD1      LEU  16   5.204  -3.845   2.021
  140   1HD2  LEU  16          1HD2      LEU  16   3.708  -7.106   2.415
  141   2HD2  LEU  16          2HD2      LEU  16   3.228  -5.885   1.237
  142   3HD2  LEU  16          3HD2      LEU  16   3.668  -5.404   2.876
  143    H    ASP  17           H        ASP  17   7.867  -5.244  -1.988
  144    HA   ASP  17           HA       ASP  17   9.806  -4.051  -1.981
  145   1HB   ASP  17          2HB       ASP  17   8.771  -3.779   0.799
  146   2HB   ASP  17          1HB       ASP  17  10.418  -3.238   0.488
  147    H    ASP  18           H        ASP  18  10.056  -6.866  -1.863
  148    HA   ASP  18           HA       ASP  18  11.644  -8.469  -1.616
  149   1HB   ASP  18          2HB       ASP  18  13.315  -6.037  -0.987
  150   2HB   ASP  18          1HB       ASP  18  13.990  -7.662  -1.036
  151    H    LYS  19           H        LYS  19   9.880  -7.989   0.544
  152    HA   LYS  19           HA       LYS  19  11.360  -9.304   2.641
  153   1HB   LYS  19          2HB       LYS  19  11.095  -6.511   2.769
  154   2HB   LYS  19          1HB       LYS  19   9.909  -7.146   3.902
  155   1HG   LYS  19          2HG       LYS  19  11.755  -8.534   4.892
  156   2HG   LYS  19          1HG       LYS  19  12.877  -7.615   3.887
  157   1HD   LYS  19          2HD       LYS  19  11.409  -5.632   5.062
  158   2HD   LYS  19          1HD       LYS  19  11.477  -6.845   6.342
  159   1HE   LYS  19          2HE       LYS  19  13.435  -5.830   6.819
  160   2HE   LYS  19          1HE       LYS  19  14.041  -6.876   5.536
  161   1HZ   LYS  19          1HZ       LYS  19  13.337  -4.007   5.376
  162   2HZ   LYS  19          2HZ       LYS  19  13.498  -4.964   3.991
  163   3HZ   LYS  19          3HZ       LYS  19  14.820  -4.746   5.024
  164    H    MET  20           H        MET  20  10.100 -10.876   3.377
  165    HA   MET  20           HA       MET  20   7.371 -11.083   2.669
  166   1HB   MET  20          2HB       MET  20   9.362 -12.770   3.793
  167   2HB   MET  20          1HB       MET  20   7.956 -12.828   4.845
  168   1HG   MET  20          2HG       MET  20   7.158 -14.364   3.459
  169   2HG   MET  20          1HG       MET  20   6.853 -13.038   2.338
  170   1HE   MET  20          1HE       MET  20   6.740 -14.115   0.456
  171   2HE   MET  20          2HE       MET  20   7.510 -15.683   0.205
  172   3HE   MET  20          3HE       MET  20   8.146 -14.249  -0.601
  173    H    PHE  21           H        PHE  21   5.518 -10.789   3.821
  174    HA   PHE  21           HA       PHE  21   5.473 -10.177   6.611
  175   1HB   PHE  21          2HB       PHE  21   6.224  -8.032   5.184
  176   2HB   PHE  21          1HB       PHE  21   4.479  -7.873   5.016
  177    HD1  PHE  21           1HD      PHE  21   3.367  -6.629   6.585
  178    HD2  PHE  21           2HD      PHE  21   7.018  -8.525   7.672
  179    HE1  PHE  21           1HE      PHE  21   3.249  -5.574   8.806
  180    HE2  PHE  21           2HE      PHE  21   6.906  -7.476   9.894
  181    HZ   PHE  21           HZ       PHE  21   5.020  -5.999  10.464
  182    H    THR  22           H        THR  22   3.134  -9.071   7.045
  183    HA   THR  22           HA       THR  22   1.229 -10.726   5.522
  184    HB   THR  22           HB       THR  22  -0.177 -10.427   7.688
  185    HG1  THR  22           1HG      THR  22   2.433  -9.960   8.692
  186   1HG2  THR  22          1HG2      THR  22   0.700 -12.585   7.061
  187   2HG2  THR  22          2HG2      THR  22   0.906 -12.323   8.793
  188   3HG2  THR  22          3HG2      THR  22   2.285 -12.154   7.704
  189    H    GLY  23           H        GLY  23  -0.933  -9.894   5.252
  190   1HA   GLY  23          2HA       GLY  23  -1.312  -7.024   5.635
  191   2HA   GLY  23          1HA       GLY  23  -1.304  -7.602   3.976
  192    H    LEU  24           H        LEU  24  -3.558  -6.436   4.466
  193    HA   LEU  24           HA       LEU  24  -5.434  -8.570   5.255
  194   1HB   LEU  24          2HB       LEU  24  -6.994  -6.417   5.454
  195   2HB   LEU  24          1HB       LEU  24  -6.026  -7.013   6.786
  196    HG   LEU  24           HG       LEU  24  -4.253  -5.358   6.139
  197   1HD1  LEU  24          1HD1      LEU  24  -4.589  -4.752   3.953
  198   2HD1  LEU  24          2HD1      LEU  24  -5.334  -3.392   4.793
  199   3HD1  LEU  24          3HD1      LEU  24  -6.342  -4.678   4.128
  200   1HD2  LEU  24          1HD2      LEU  24  -5.140  -3.840   7.552
  201   2HD2  LEU  24          2HD2      LEU  24  -6.390  -5.068   7.752
  202   3HD2  LEU  24          3HD2      LEU  24  -6.649  -3.719   6.647
  203    H    ILE  25           H        ILE  25  -6.414  -9.451   3.576
  204    HA   ILE  25           HA       ILE  25  -6.772  -7.863   1.135
  205    HB   ILE  25           HB       ILE  25  -7.420 -10.771   1.211
  206   1HG1  ILE  25          2HG1      ILE  25  -4.602  -9.659   1.089
  207   2HG1  ILE  25          1HG1      ILE  25  -5.265 -10.665   2.374
  208   1HG2  ILE  25          1HG2      ILE  25  -6.296  -8.855  -0.817
  209   2HG2  ILE  25          2HG2      ILE  25  -7.865  -9.662  -0.827
  210   3HG2  ILE  25          3HG2      ILE  25  -6.390 -10.596  -1.084
  211   1HD1  ILE  25          1HD1      ILE  25  -5.158 -12.568   1.122
  212   2HD1  ILE  25          2HD1      ILE  25  -3.775 -11.683   0.479
  213   3HD1  ILE  25          3HD1      ILE  25  -5.299 -11.706  -0.409
  214    H    ASN  26           H        ASN  26  -8.679  -6.873   0.981
  215    HA   ASN  26           HA       ASN  26 -11.005  -8.005   2.280
  216   1HB   ASN  26          2HB       ASN  26 -11.019  -5.721   2.568
  217   2HB   ASN  26          1HB       ASN  26 -10.385  -5.388   0.962
  218   1HD2  ASN  26          1HD2      ASN  26 -13.190  -7.192   2.184
  219   2HD2  ASN  26          2HD2      ASN  26 -14.363  -6.338   1.246
  220    H    THR  27           H        THR  27 -12.700  -8.891   1.280
  221    HA   THR  27           HA       THR  27 -12.258 -10.090  -1.250
  222    HB   THR  27           HB       THR  27 -13.453 -11.029   0.745
  223    HG1  THR  27           1HG      THR  27 -14.596 -11.103  -1.841
  224   1HG2  THR  27          1HG2      THR  27 -14.951  -8.953   0.953
  225   2HG2  THR  27          2HG2      THR  27 -15.652 -10.546   1.240
  226   3HG2  THR  27          3HG2      THR  27 -15.926  -9.726  -0.297
  227    H    GLY  28           H        GLY  28 -12.970  -7.001  -0.779
  228   1HA   GLY  28          2HA       GLY  28 -14.253  -6.737  -3.356
  229   2HA   GLY  28          1HA       GLY  28 -15.187  -6.139  -1.992
  230    H    ALA  29           H        ALA  29 -11.776  -5.997  -3.009
  231    HA   ALA  29           HA       ALA  29 -11.337  -3.427  -1.903
  232   1HB   ALA  29          1HB       ALA  29  -9.388  -3.709  -3.812
  233   2HB   ALA  29          2HB       ALA  29  -9.822  -5.382  -3.458
  234   3HB   ALA  29          3HB       ALA  29  -9.298  -4.314  -2.156
  235    H    ASP  30           H        ASP  30 -11.282  -1.421  -2.851
  236    HA   ASP  30           HA       ASP  30 -11.788  -1.090  -5.673
  237   1HB   ASP  30          2HB       ASP  30 -13.842   0.254  -5.353
  238   2HB   ASP  30          1HB       ASP  30 -14.058  -1.429  -4.884
  239    H    VAL  31           H        VAL  31 -10.026  -0.223  -3.206
  240    HA   VAL  31           HA       VAL  31  -9.556   2.436  -4.249
  241    HB   VAL  31           HB       VAL  31  -9.492   3.420  -1.934
  242   1HG1  VAL  31          1HG1      VAL  31 -12.205   2.484  -2.858
  243   2HG1  VAL  31          2HG1      VAL  31 -11.306   3.824  -3.571
  244   3HG1  VAL  31          3HG1      VAL  31 -11.847   3.919  -1.895
  245   1HG2  VAL  31          1HG2      VAL  31 -10.031   2.247  -0.109
  246   2HG2  VAL  31          2HG2      VAL  31  -9.864   0.811  -1.120
  247   3HG2  VAL  31          3HG2      VAL  31 -11.451   1.541  -0.881
  248    H    THR  32           H        THR  32  -7.499   2.036  -4.839
  249    HA   THR  32           HA       THR  32  -5.671   0.511  -3.261
  250    HB   THR  32           HB       THR  32  -4.052   1.749  -4.975
  251    HG1  THR  32           1HG      THR  32  -5.367   3.161  -5.935
  252   1HG2  THR  32          1HG2      THR  32  -5.953  -0.178  -6.216
  253   2HG2  THR  32          2HG2      THR  32  -4.857  -0.704  -4.939
  254   3HG2  THR  32          3HG2      THR  32  -4.210  -0.026  -6.433
  255    H    ILE  33           H        ILE  33  -5.219   1.355  -1.301
  256    HA   ILE  33           HA       ILE  33  -3.963   4.006  -1.275
  257    HB   ILE  33           HB       ILE  33  -5.699   3.264   1.031
  258   1HG1  ILE  33          2HG1      ILE  33  -7.121   3.006  -0.996
  259   2HG1  ILE  33          1HG1      ILE  33  -7.638   4.331   0.039
  260   1HG2  ILE  33          1HG2      ILE  33  -5.830   5.642   1.341
  261   2HG2  ILE  33          2HG2      ILE  33  -5.029   5.924  -0.205
  262   3HG2  ILE  33          3HG2      ILE  33  -4.142   5.176   1.123
  263   1HD1  ILE  33          1HD1      ILE  33  -7.452   5.764  -1.631
  264   2HD1  ILE  33          2HD1      ILE  33  -7.092   4.406  -2.699
  265   3HD1  ILE  33          3HD1      ILE  33  -5.778   5.286  -1.918
  266    H    ILE  34           H        ILE  34  -2.292   4.253   0.068
  267    HA   ILE  34           HA       ILE  34  -1.683   2.182   2.038
  268    HB   ILE  34           HB       ILE  34  -0.296   2.437  -0.442
  269   1HG1  ILE  34          2HG1      ILE  34   1.047   0.556   0.530
  270   2HG1  ILE  34          1HG1      ILE  34   0.220   0.824   2.060
  271   1HG2  ILE  34          1HG2      ILE  34   1.111   4.151   0.434
  272   2HG2  ILE  34          2HG2      ILE  34   2.042   2.655   0.436
  273   3HG2  ILE  34          3HG2      ILE  34   1.352   3.264   1.940
  274   1HD1  ILE  34          1HD1      ILE  34  -0.577  -0.840  -0.006
  275   2HD1  ILE  34          2HD1      ILE  34  -1.657   0.550  -0.112
  276   3HD1  ILE  34          3HD1      ILE  34  -1.532  -0.357   1.396
  277    H    LYS  35           H        LYS  35  -1.578   3.260   3.887
  278    HA   LYS  35           HA       LYS  35  -1.534   5.962   4.226
  279   1HB   LYS  35          2HB       LYS  35  -0.892   5.504   6.567
  280   2HB   LYS  35          1HB       LYS  35  -2.146   4.417   5.989
  281   1HG   LYS  35          2HG       LYS  35   0.730   3.614   5.889
  282   2HG   LYS  35          1HG       LYS  35  -0.215   3.457   7.363
  283   1HD   LYS  35          2HD       LYS  35  -1.915   2.304   5.667
  284   2HD   LYS  35          1HD       LYS  35  -0.401   1.950   4.832
  285   1HE   LYS  35          2HE       LYS  35   0.236   1.322   7.402
  286   2HE   LYS  35          1HE       LYS  35  -1.471   0.881   7.348
  287   1HZ   LYS  35          1HZ       LYS  35  -0.981  -0.926   6.188
  288   2HZ   LYS  35          2HZ       LYS  35   0.661  -0.599   6.416
  289   3HZ   LYS  35          3HZ       LYS  35  -0.126  -0.041   5.027
  290    H    LEU  36           H        LEU  36   0.040   7.332   5.322
  291    HA   LEU  36           HA       LEU  36   2.455   7.457   3.815
  292   1HB   LEU  36          2HB       LEU  36   0.888   9.229   5.255
  293   2HB   LEU  36          1HB       LEU  36   2.375   9.146   6.180
  294    HG   LEU  36           HG       LEU  36   2.827   9.463   3.307
  295   1HD1  LEU  36          1HD1      LEU  36   0.640  10.809   4.041
  296   2HD1  LEU  36          2HD1      LEU  36   1.810  11.438   2.880
  297   3HD1  LEU  36          3HD1      LEU  36   1.869  11.961   4.564
  298   1HD2  LEU  36          1HD2      LEU  36   3.733  11.457   5.280
  299   2HD2  LEU  36          2HD2      LEU  36   4.629  10.622   4.012
  300   3HD2  LEU  36          3HD2      LEU  36   4.285   9.801   5.534
  301    H    GLU  37           H        GLU  37   1.603   6.221   6.949
  302    HA   GLU  37           HA       GLU  37   4.080   6.261   8.224
  303   1HB   GLU  37          2HB       GLU  37   1.817   4.270   8.418
  304   2HB   GLU  37          1HB       GLU  37   3.210   4.269   9.493
  305   1HG   GLU  37          2HG       GLU  37   2.621   6.592  10.152
  306   2HG   GLU  37          1HG       GLU  37   1.152   6.440   9.190
  307    H    ASP  38           H        ASP  38   2.983   4.359   5.567
  308    HA   ASP  38           HA       ASP  38   5.208   2.479   5.855
  309   1HB   ASP  38          2HB       ASP  38   2.552   2.253   4.857
  310   2HB   ASP  38          1HB       ASP  38   3.655   1.941   3.521
  311    H    TRP  39           H        TRP  39   4.500   5.387   4.314
  312    HA   TRP  39           HA       TRP  39   5.839   4.982   1.843
  313   1HB   TRP  39          2HB       TRP  39   4.665   6.885   1.548
  314   2HB   TRP  39          1HB       TRP  39   4.607   7.219   3.273
  315    HD1  TRP  39           HD       TRP  39   6.672   7.975   0.142
  316    HE1  TRP  39           1HE      TRP  39   8.252   9.945   0.644
  317    HE3  TRP  39           3HE      TRP  39   5.845   8.419   5.170
  318    HZ2  TRP  39           2HZ      TRP  39   9.035  11.487   2.873
  319    HZ3  TRP  39           3HZ      TRP  39   7.048  10.169   6.411
  320    HH2  TRP  39           HH       TRP  39   8.610  11.670   5.286
  321    HA   PRO  40           HA       PRO  40  10.062   5.151   3.136
  322   1HB   PRO  40          2HB       PRO  40  11.216   6.036   0.845
  323   2HB   PRO  40          1HB       PRO  40  10.605   4.392   1.040
  324   1HG   PRO  40          2HG       PRO  40   9.321   6.739  -0.296
  325   2HG   PRO  40          1HG       PRO  40   9.394   5.048  -0.827
  326   1HD   PRO  40          2HD       PRO  40   7.206   6.106   0.361
  327   2HD   PRO  40          1HD       PRO  40   7.671   4.405   0.554
  328    HA   PRO  41           HA       PRO  41  10.354   9.513   4.243
  329   1HB   PRO  41          2HB       PRO  41  12.299   9.253   6.092
  330   2HB   PRO  41          1HB       PRO  41  10.627   8.779   6.413
  331   1HG   PRO  41          2HG       PRO  41  12.971   7.073   5.670
  332   2HG   PRO  41          1HG       PRO  41  11.712   6.778   6.883
  333   1HD   PRO  41          2HD       PRO  41  11.697   5.647   4.401
  334   2HD   PRO  41          1HD       PRO  41  10.222   5.993   5.324
  335    H    ASN  42           H        ASN  42  12.533   7.571   2.575
  336    HA   ASN  42           HA       ASN  42  14.886   9.085   2.587
  337   1HB   ASN  42          2HB       ASN  42  14.386   6.730   1.589
  338   2HB   ASN  42          1HB       ASN  42  13.946   7.624   0.137
  339   1HD2  ASN  42          1HD2      ASN  42  16.192   5.764   0.830
  340   2HD2  ASN  42          2HD2      ASN  42  17.620   6.616   0.361
  341    H    TRP  43           H        TRP  43  11.945   9.364   0.651
  342    HA   TRP  43           HA       TRP  43  12.968  11.936  -0.352
  343   1HB   TRP  43          2HB       TRP  43  11.968  11.564  -2.496
  344   2HB   TRP  43          1HB       TRP  43  12.937  10.146  -2.113
  345    HD1  TRP  43           HD       TRP  43   9.205  11.202  -1.819
  346    HE1  TRP  43           1HE      TRP  43   7.757   9.138  -2.343
  347    HE3  TRP  43           3HE      TRP  43  12.918   7.754  -2.489
  348    HZ2  TRP  43           2HZ      TRP  43   8.138   6.422  -2.952
  349    HZ3  TRP  43           3HZ      TRP  43  12.286   5.440  -3.038
  350    HH2  TRP  43           HH       TRP  43   9.941   4.795  -3.264
  351    HA   PRO  44           HA       PRO  44   9.229  13.652   1.269
  352   1HB   PRO  44          2HB       PRO  44   9.256  15.740  -0.746
  353   2HB   PRO  44          1HB       PRO  44   9.619  15.861   0.975
  354   1HG   PRO  44          2HG       PRO  44  11.500  16.147  -0.972
  355   2HG   PRO  44          1HG       PRO  44  11.865  15.546   0.656
  356   1HD   PRO  44          2HD       PRO  44  11.506  14.025  -1.895
  357   2HD   PRO  44          1HD       PRO  44  12.669  13.765  -0.577
  358    H    ILE  45           H        ILE  45   7.023  13.786   0.854
  359    HA   ILE  45           HA       ILE  45   6.159  13.196  -1.892
  360    HB   ILE  45           HB       ILE  45   4.376  11.702  -0.880
  361   1HG1  ILE  45          2HG1      ILE  45   5.601  10.616   1.297
  362   2HG1  ILE  45          1HG1      ILE  45   5.997  12.317   1.512
  363   1HG2  ILE  45          1HG2      ILE  45   7.268  10.863  -0.789
  364   2HG2  ILE  45          2HG2      ILE  45   6.180  10.789  -2.176
  365   3HG2  ILE  45          3HG2      ILE  45   5.898   9.751  -0.777
  366   1HD1  ILE  45          1HD1      ILE  45   3.969  12.733   2.277
  367   2HD1  ILE  45          2HD1      ILE  45   3.629  11.004   2.196
  368   3HD1  ILE  45          3HD1      ILE  45   3.234  12.044   0.829
  369    H    THR  46           H        THR  46   3.628  13.268  -1.926
  370    HA   THR  46           HA       THR  46   2.892  15.931  -1.343
  371    HB   THR  46           HB       THR  46   0.506  14.677  -1.851
  372    HG1  THR  46           1HG      THR  46   1.145  13.188  -3.575
  373   1HG2  THR  46          1HG2      THR  46   2.293  15.215  -4.164
  374   2HG2  THR  46          2HG2      THR  46   1.843  16.549  -3.102
  375   3HG2  THR  46          3HG2      THR  46   0.592  15.619  -3.928
  376    H    ASP  47           H        ASP  47   0.499  16.146  -0.267
  377    HA   ASP  47           HA       ASP  47  -0.235  14.629   1.922
  378   1HB   ASP  47          2HB       ASP  47   2.196  15.594   2.532
  379   2HB   ASP  47          1HB       ASP  47   1.216  16.986   3.003
  380    H    THR  48           H        THR  48   0.403  17.994   1.053
  381    HA   THR  48           HA       THR  48  -2.418  18.616   1.555
  382    HB   THR  48           HB       THR  48  -1.389  19.404   3.522
  383    HG1  THR  48           1HG      THR  48  -1.384  21.663   1.818
  384   1HG2  THR  48          1HG2      THR  48   0.538  21.255   2.920
  385   2HG2  THR  48          2HG2      THR  48   0.896  19.934   1.809
  386   3HG2  THR  48          3HG2      THR  48   0.821  19.630   3.544
  387    H    LEU  49           H        LEU  49  -3.322  20.139   0.350
  388    HA   LEU  49           HA       LEU  49  -1.767  21.295  -1.867
  389   1HB   LEU  49          2HB       LEU  49  -3.422  19.362  -2.368
  390   2HB   LEU  49          1HB       LEU  49  -4.659  20.548  -2.068
  391    HG   LEU  49           HG       LEU  49  -4.096  21.810  -3.972
  392   1HD1  LEU  49          1HD1      LEU  49  -1.967  20.593  -5.255
  393   2HD1  LEU  49          2HD1      LEU  49  -1.465  20.671  -3.569
  394   3HD1  LEU  49          3HD1      LEU  49  -1.941  22.142  -4.413
  395   1HD2  LEU  49          1HD2      LEU  49  -5.013  19.324  -4.203
  396   2HD2  LEU  49          2HD2      LEU  49  -3.532  19.156  -5.147
  397   3HD2  LEU  49          3HD2      LEU  49  -4.731  20.369  -5.597
  398    H    THR  50           H        THR  50  -3.288  23.093  -2.949
  399    HA   THR  50           HA       THR  50  -3.990  24.908  -0.752
  400    HB   THR  50           HB       THR  50  -3.927  26.565  -2.841
  401    HG1  THR  50           1HG      THR  50  -2.072  24.555  -3.575
  402   1HG2  THR  50          1HG2      THR  50  -1.578  25.501  -1.314
  403   2HG2  THR  50          2HG2      THR  50  -2.475  26.996  -1.055
  404   3HG2  THR  50          3HG2      THR  50  -1.439  26.825  -2.471
  405    H    ASN  51           H        ASN  51  -6.065  25.178  -0.318
  406    HA   ASN  51           HA       ASN  51  -8.012  25.190  -2.519
  407   1HB   ASN  51          2HB       ASN  51  -7.938  23.080  -0.933
  408   2HB   ASN  51          1HB       ASN  51  -8.798  24.149   0.166
  409   1HD2  ASN  51          1HD2      ASN  51 -10.906  23.982   0.070
  410   2HD2  ASN  51          2HD2      ASN  51 -11.838  23.548  -1.319
  411    H    LEU  52           H        LEU  52  -7.752  27.517  -2.352
  412    HA   LEU  52           HA       LEU  52  -8.656  28.695   0.142
  413   1HB   LEU  52          2HB       LEU  52  -7.314  29.714  -2.305
  414   2HB   LEU  52          1HB       LEU  52  -8.226  30.830  -1.322
  415    HG   LEU  52           HG       LEU  52  -6.604  30.983   0.210
  416   1HD1  LEU  52          1HD1      LEU  52  -6.436  27.985   0.056
  417   2HD1  LEU  52          2HD1      LEU  52  -7.108  28.979   1.348
  418   3HD1  LEU  52          3HD1      LEU  52  -5.367  28.951   1.071
  419   1HD2  LEU  52          1HD2      LEU  52  -4.432  30.667  -0.560
  420   2HD2  LEU  52          2HD2      LEU  52  -5.388  30.873  -2.028
  421   3HD2  LEU  52          3HD2      LEU  52  -4.881  29.259  -1.525
  422    H    ARG  53           H        ARG  53 -10.638  29.113   0.535
  423    HA   ARG  53           HA       ARG  53 -12.631  29.119  -1.552
  424   1HB   ARG  53          2HB       ARG  53 -12.797  29.236   1.446
  425   2HB   ARG  53          1HB       ARG  53 -14.208  29.417   0.422
  426   1HG   ARG  53          2HG       ARG  53 -13.924  27.210  -0.462
  427   2HG   ARG  53          1HG       ARG  53 -12.380  27.029   0.373
  428   1HD   ARG  53          2HD       ARG  53 -15.003  27.480   1.783
  429   2HD   ARG  53          1HD       ARG  53 -14.327  25.882   1.467
  430    HE   ARG  53           HE       ARG  53 -12.315  27.148   2.745
  431   1HH1  ARG  53          1HH1      ARG  53 -15.698  26.719   3.490
  432   2HH1  ARG  53          2HH1      ARG  53 -15.453  26.754   5.204
  433   1HH2  ARG  53          1HH2      ARG  53 -11.992  27.192   4.999
  434   2HH2  ARG  53          2HH2      ARG  53 -13.350  27.021   6.061
  435    H    GLY  54           H        GLY  54 -10.607  31.424  -0.879
  436   1HA   GLY  54          2HA       GLY  54 -10.689  33.711  -1.262
  437   2HA   GLY  54          1HA       GLY  54 -12.397  33.542  -1.623
  438    H    ILE  55           H        ILE  55 -13.634  32.827   0.396
  439    HA   ILE  55           HA       ILE  55 -13.044  34.757   2.502
  440    HB   ILE  55           HB       ILE  55 -15.413  34.159   3.268
  441   1HG1  ILE  55          2HG1      ILE  55 -15.410  32.892   0.524
  442   2HG1  ILE  55          1HG1      ILE  55 -15.813  32.130   2.054
  443   1HG2  ILE  55          1HG2      ILE  55 -14.834  36.268   2.190
  444   2HG2  ILE  55          2HG2      ILE  55 -16.431  35.714   1.685
  445   3HG2  ILE  55          3HG2      ILE  55 -15.050  35.524   0.605
  446   1HD1  ILE  55          1HD1      ILE  55 -17.410  33.838   0.278
  447   2HD1  ILE  55          2HD1      ILE  55 -17.649  34.066   2.011
  448   3HD1  ILE  55          3HD1      ILE  55 -17.895  32.476   1.287
  449    H    GLY  56           H        GLY  56 -12.879  31.503   1.684
  450   1HA   GLY  56          2HA       GLY  56 -12.456  30.786   4.525
  451   2HA   GLY  56          1HA       GLY  56 -13.295  29.705   3.423
  452    H    GLN  57           H        GLN  57 -10.254  31.594   3.331
  453    HA   GLN  57           HA       GLN  57  -8.810  30.017   1.634
  454   1HB   GLN  57          2HB       GLN  57  -6.776  30.811   2.923
  455   2HB   GLN  57          1HB       GLN  57  -7.858  32.065   2.333
  456   1HG   GLN  57          2HG       GLN  57  -8.509  32.682   4.412
  457   2HG   GLN  57          1HG       GLN  57  -8.335  31.057   5.072
  458   1HE2  GLN  57          1HE2      GLN  57  -6.459  30.471   6.030
  459   2HE2  GLN  57          2HE2      GLN  57  -5.113  31.532   6.252
  460    H    SER  58           H        SER  58  -9.063  27.834   1.809
  461    HA   SER  58           HA       SER  58  -8.059  26.564   4.270
  462   1HB   SER  58          2HB       SER  58 -10.156  25.671   2.295
  463   2HB   SER  58          1HB       SER  58  -9.385  24.542   3.408
  464    HG   SER  58           HG       SER  58 -10.102  25.951   5.119
  465    H    ASN  59           H        ASN  59  -7.319  24.183   3.682
  466    HA   ASN  59           HA       ASN  59  -5.518  24.391   1.357
  467   1HB   ASN  59          2HB       ASN  59  -5.026  23.111   4.050
  468   2HB   ASN  59          1HB       ASN  59  -3.962  22.910   2.661
  469   1HD2  ASN  59          1HD2      ASN  59  -3.959  24.345   5.427
  470   2HD2  ASN  59          2HD2      ASN  59  -3.220  25.863   5.057
  471    H    ASN  60           H        ASN  60  -5.882  22.928  -0.188
  472    HA   ASN  60           HA       ASN  60  -7.765  20.830   0.160
  473   1HB   ASN  60          2HB       ASN  60  -6.280  21.989  -2.047
  474   2HB   ASN  60          1HB       ASN  60  -6.301  20.233  -2.154
  475   1HD2  ASN  60          1HD2      ASN  60  -7.518  21.584  -4.093
  476   2HD2  ASN  60          2HD2      ASN  60  -9.236  21.462  -3.956
  477    HA   PRO  61           HA       PRO  61  -4.925  17.527   1.107
  478   1HB   PRO  61          2HB       PRO  61  -6.337  15.449   0.349
  479   2HB   PRO  61          1HB       PRO  61  -7.087  16.669   1.389
  480   1HG   PRO  61          2HG       PRO  61  -7.472  16.175  -1.525
  481   2HG   PRO  61          1HG       PRO  61  -8.630  16.773  -0.326
  482   1HD   PRO  61          2HD       PRO  61  -6.989  18.322  -2.129
  483   2HD   PRO  61          1HD       PRO  61  -8.144  18.914  -0.913
  484    H    LYS  62           H        LYS  62  -2.905  17.173   0.166
  485    HA   LYS  62           HA       LYS  62  -2.860  16.009  -2.542
  486   1HB   LYS  62          2HB       LYS  62  -0.693  17.316  -0.906
  487   2HB   LYS  62          1HB       LYS  62  -0.365  16.409  -2.367
  488   1HG   LYS  62          2HG       LYS  62  -2.233  18.059  -3.313
  489   2HG   LYS  62          1HG       LYS  62  -1.564  19.068  -2.036
  490   1HD   LYS  62          2HD       LYS  62   0.337  17.671  -3.841
  491   2HD   LYS  62          1HD       LYS  62  -0.554  19.044  -4.495
  492   1HE   LYS  62          2HE       LYS  62   0.244  20.411  -2.590
  493   2HE   LYS  62          1HE       LYS  62   1.209  19.039  -2.048
  494   1HZ   LYS  62          1HZ       LYS  62   2.557  20.564  -3.313
  495   2HZ   LYS  62          2HZ       LYS  62   1.502  20.474  -4.632
  496   3HZ   LYS  62          3HZ       LYS  62   2.396  19.114  -4.172
  497    H    GLN  63           H        GLN  63  -2.210  13.949  -2.811
  498    HA   GLN  63           HA       GLN  63  -1.216  12.518  -0.440
  499   1HB   GLN  63          2HB       GLN  63  -2.502  10.522  -1.626
  500   2HB   GLN  63          1HB       GLN  63  -3.301  11.605  -0.497
  501   1HG   GLN  63          2HG       GLN  63  -3.323  12.339  -3.371
  502   2HG   GLN  63          1HG       GLN  63  -4.342  10.999  -2.848
  503   1HE2  GLN  63          1HE2      GLN  63  -6.332  11.791  -2.844
  504   2HE2  GLN  63          2HE2      GLN  63  -6.841  13.224  -2.023
  505    H    SER  64           H        SER  64   0.520  11.317  -0.669
  506    HA   SER  64           HA       SER  64   2.189  11.411  -2.895
  507   1HB   SER  64          2HB       SER  64   2.736  10.678  -0.489
  508   2HB   SER  64          1HB       SER  64   2.220   9.079  -1.011
  509    HG   SER  64           HG       SER  64   4.128  10.546  -2.472
  510    H    SER  65           H        SER  65   3.013   9.493  -4.125
  511    HA   SER  65           HA       SER  65   0.745   7.869  -5.075
  512   1HB   SER  65          2HB       SER  65   1.939   7.839  -7.285
  513   2HB   SER  65          1HB       SER  65   1.375   9.435  -6.792
  514    HG   SER  65           HG       SER  65   3.397  10.074  -6.467
  515    H    LYS  66           H        LYS  66   3.934   7.828  -3.793
  516    HA   LYS  66           HA       LYS  66   5.394   5.818  -4.551
  517   1HB   LYS  66          2HB       LYS  66   5.918   6.699  -2.438
  518   2HB   LYS  66          1HB       LYS  66   4.349   6.274  -1.770
  519   1HG   LYS  66          2HG       LYS  66   6.273   4.895  -0.960
  520   2HG   LYS  66          1HG       LYS  66   4.925   3.979  -1.634
  521   1HD   LYS  66          2HD       LYS  66   6.108   3.367  -3.513
  522   2HD   LYS  66          1HD       LYS  66   7.185   4.761  -3.418
  523   1HE   LYS  66          2HE       LYS  66   8.702   3.477  -2.427
  524   2HE   LYS  66          1HE       LYS  66   7.599   3.270  -1.068
  525   1HZ   LYS  66          1HZ       LYS  66   7.624   1.125  -1.603
  526   2HZ   LYS  66          2HZ       LYS  66   8.343   1.404  -3.108
  527   3HZ   LYS  66          3HZ       LYS  66   6.665   1.526  -2.938
  528    H    TYR  67           H        TYR  67   5.001   3.944  -5.517
  529    HA   TYR  67           HA       TYR  67   2.573   2.489  -4.927
  530   1HB   TYR  67          2HB       TYR  67   2.839   1.447  -6.958
  531   2HB   TYR  67          1HB       TYR  67   3.631   2.980  -7.250
  532    HD1  TYR  67           1HD      TYR  67   3.889   0.092  -8.530
  533    HD2  TYR  67           2HD      TYR  67   6.247   2.394  -5.842
  534    HE1  TYR  67           1HE      TYR  67   5.891  -1.105  -9.280
  535    HE2  TYR  67           2HE      TYR  67   8.266   1.200  -6.583
  536    HH   TYR  67           HH       TYR  67   8.800  -0.164  -9.041
  537    H    LEU  68           H        LEU  68   2.445   0.328  -4.351
  538    HA   LEU  68           HA       LEU  68   4.831  -0.665  -2.952
  539   1HB   LEU  68          2HB       LEU  68   2.353  -0.121  -1.877
  540   2HB   LEU  68          1HB       LEU  68   2.278  -1.850  -2.161
  541    HG   LEU  68           HG       LEU  68   4.121  -2.273  -0.733
  542   1HD1  LEU  68          1HD1      LEU  68   4.678   0.568  -1.211
  543   2HD1  LEU  68          2HD1      LEU  68   5.780  -0.788  -0.971
  544   3HD1  LEU  68          3HD1      LEU  68   5.021  -0.012   0.421
  545   1HD2  LEU  68          1HD2      LEU  68   3.055  -1.916   1.213
  546   2HD2  LEU  68          2HD2      LEU  68   1.780  -1.264   0.185
  547   3HD2  LEU  68          3HD2      LEU  68   2.938  -0.176   0.950
  548    H    THR  69           H        THR  69   5.399  -2.772  -3.112
  549    HA   THR  69           HA       THR  69   4.081  -4.284  -5.254
  550    HB   THR  69           HB       THR  69   6.365  -5.397  -5.480
  551    HG1  THR  69           1HG      THR  69   8.093  -4.037  -4.731
  552   1HG2  THR  69          1HG2      THR  69   5.744  -3.912  -7.194
  553   2HG2  THR  69          2HG2      THR  69   7.375  -3.455  -6.700
  554   3HG2  THR  69          3HG2      THR  69   5.990  -2.502  -6.160
  555    H    TRP  70           H        TRP  70   2.981  -5.911  -4.532
  556    HA   TRP  70           HA       TRP  70   3.908  -7.446  -2.212
  557   1HB   TRP  70          2HB       TRP  70   1.762  -5.907  -2.039
  558   2HB   TRP  70          1HB       TRP  70   1.002  -7.232  -2.913
  559    HD1  TRP  70           HD       TRP  70   3.616  -8.349  -0.454
  560    HE1  TRP  70           1HE      TRP  70   2.465  -9.383   1.607
  561    HE3  TRP  70           3HE      TRP  70  -1.203  -6.938  -1.414
  562    HZ2  TRP  70           2HZ      TRP  70  -0.135  -9.572   2.683
  563    HZ3  TRP  70           3HZ      TRP  70  -2.963  -7.585   0.181
  564    HH2  TRP  70           HH       TRP  70  -2.438  -8.876   2.186
  565    H    ARG  71           H        ARG  71   4.238  -9.535  -2.685
  566    HA   ARG  71           HA       ARG  71   2.635 -10.809  -4.718
  567   1HB   ARG  71          2HB       ARG  71   5.040 -11.817  -5.446
  568   2HB   ARG  71          1HB       ARG  71   4.215 -10.515  -6.282
  569   1HG   ARG  71          2HG       ARG  71   5.967  -9.768  -4.029
  570   2HG   ARG  71          1HG       ARG  71   6.742 -10.373  -5.492
  571   1HD   ARG  71          2HD       ARG  71   5.859  -8.637  -6.801
  572   2HD   ARG  71          1HD       ARG  71   4.684  -8.194  -5.565
  573    HE   ARG  71           HE       ARG  71   6.317  -7.004  -4.456
  574   1HH1  ARG  71          1HH1      ARG  71   7.763  -8.877  -7.025
  575   2HH1  ARG  71          2HH1      ARG  71   9.293  -8.074  -6.914
  576   1HH2  ARG  71          1HH2      ARG  71   8.332  -5.956  -4.308
  577   2HH2  ARG  71          2HH2      ARG  71   9.617  -6.418  -5.373
  578    H    ASP  72           H        ASP  72   2.638 -13.097  -4.615
  579    HA   ASP  72           HA       ASP  72   3.141 -14.085  -1.964
  580   1HB   ASP  72          2HB       ASP  72   2.129 -16.171  -2.785
  581   2HB   ASP  72          1HB       ASP  72   1.124 -14.779  -3.180
  582    H    LYS  73           H        LYS  73   4.251 -16.199  -1.688
  583    HA   LYS  73           HA       LYS  73   6.901 -16.141  -2.068
  584   1HB   LYS  73          2HB       LYS  73   5.276 -17.914  -0.940
  585   2HB   LYS  73          1HB       LYS  73   5.642 -18.815  -2.399
  586   1HG   LYS  73          2HG       LYS  73   8.107 -18.337  -1.811
  587   2HG   LYS  73          1HG       LYS  73   7.481 -17.960  -0.205
  588   1HD   LYS  73          2HD       LYS  73   8.085 -20.236  -0.124
  589   2HD   LYS  73          1HD       LYS  73   6.327 -20.222  -0.288
  590   1HE   LYS  73          2HE       LYS  73   6.877 -20.345  -2.847
  591   2HE   LYS  73          1HE       LYS  73   8.419 -20.979  -2.277
  592   1HZ   LYS  73          1HZ       LYS  73   6.712 -22.697  -2.760
  593   2HZ   LYS  73          2HZ       LYS  73   5.788 -22.093  -1.479
  594   3HZ   LYS  73          3HZ       LYS  73   7.314 -22.758  -1.180
  595    H    GLU  74           H        GLU  74   4.577 -17.047  -4.515
  596    HA   GLU  74           HA       GLU  74   6.514 -18.190  -6.282
  597   1HB   GLU  74          2HB       GLU  74   3.780 -18.243  -6.152
  598   2HB   GLU  74          1HB       GLU  74   4.050 -17.142  -7.495
  599   1HG   GLU  74          2HG       GLU  74   5.790 -19.261  -7.955
  600   2HG   GLU  74          1HG       GLU  74   4.301 -20.010  -7.383
  601    H    ASN  75           H        ASN  75   6.449 -15.190  -5.222
  602    HA   ASN  75           HA       ASN  75   7.342 -13.238  -5.933
  603   1HB   ASN  75          2HB       ASN  75   8.853 -14.983  -7.193
  604   2HB   ASN  75          1HB       ASN  75   8.004 -14.385  -8.617
  605   1HD2  ASN  75          1HD2      ASN  75  10.168 -13.568  -6.012
  606   2HD2  ASN  75          2HD2      ASN  75  10.766 -12.102  -6.705
  607    H    ASN  76           H        ASN  76   4.579 -13.560  -6.220
  608    HA   ASN  76           HA       ASN  76   4.002 -11.456  -8.013
  609   1HB   ASN  76          2HB       ASN  76   2.586 -12.752  -9.645
  610   2HB   ASN  76          1HB       ASN  76   4.325 -12.982  -9.810
  611   1HD2  ASN  76          1HD2      ASN  76   4.935 -14.990 -10.091
  612   2HD2  ASN  76          2HD2      ASN  76   4.104 -16.400  -9.537
  613    H    SER  77           H        SER  77   1.944 -10.643  -7.827
  614    HA   SER  77           HA       SER  77  -0.318 -11.966  -6.921
  615   1HB   SER  77          2HB       SER  77  -0.366 -11.890  -4.671
  616   2HB   SER  77          1HB       SER  77   1.378 -11.737  -4.795
  617    HG   SER  77           HG       SER  77  -0.528  -9.675  -4.471
  618    H    GLY  78           H        GLY  78   1.435  -8.866  -6.730
  619   1HA   GLY  78          2HA       GLY  78  -0.152  -7.391  -8.363
  620   2HA   GLY  78          1HA       GLY  78  -1.033  -7.378  -6.846
  621    H    LEU  79           H        LEU  79   0.503  -5.324  -8.487
  622    HA   LEU  79           HA       LEU  79   1.581  -3.937  -6.208
  623   1HB   LEU  79          2HB       LEU  79   3.788  -3.598  -7.036
  624   2HB   LEU  79          1HB       LEU  79   3.486  -5.324  -6.992
  625    HG   LEU  79           HG       LEU  79   2.769  -4.470  -9.581
  626   1HD1  LEU  79          1HD1      LEU  79   5.580  -3.680  -9.323
  627   2HD1  LEU  79          2HD1      LEU  79   4.422  -2.551  -8.618
  628   3HD1  LEU  79          3HD1      LEU  79   4.292  -3.000 -10.319
  629   1HD2  LEU  79          1HD2      LEU  79   5.413  -5.704  -9.151
  630   2HD2  LEU  79          2HD2      LEU  79   4.082  -6.203 -10.193
  631   3HD2  LEU  79          3HD2      LEU  79   4.031  -6.559  -8.466
  632    H    ILE  80           H        ILE  80   1.073  -1.839  -6.388
  633    HA   ILE  80           HA       ILE  80   1.096  -0.506  -8.951
  634    HB   ILE  80           HB       ILE  80  -1.322   0.282  -8.638
  635   1HG1  ILE  80          2HG1      ILE  80  -2.802  -1.437  -7.588
  636   2HG1  ILE  80          1HG1      ILE  80  -1.364  -2.255  -6.990
  637   1HG2  ILE  80          1HG2      ILE  80  -2.142  -1.438 -10.058
  638   2HG2  ILE  80          2HG2      ILE  80  -0.961  -2.595  -9.443
  639   3HG2  ILE  80          3HG2      ILE  80  -0.431  -1.232 -10.429
  640   1HD1  ILE  80          1HD1      ILE  80  -1.884   0.613  -6.327
  641   2HD1  ILE  80          2HD1      ILE  80  -0.883  -0.565  -5.478
  642   3HD1  ILE  80          3HD1      ILE  80  -2.641  -0.692  -5.412
  643    H    LYS  81           H        LYS  81   0.386   1.790  -8.767
  644    HA   LYS  81           HA       LYS  81   1.462   2.917  -6.318
  645   1HB   LYS  81          2HB       LYS  81   1.361   5.069  -7.583
  646   2HB   LYS  81          1HB       LYS  81   2.346   3.828  -8.344
  647   1HG   LYS  81          2HG       LYS  81   1.074   3.775 -10.170
  648   2HG   LYS  81          1HG       LYS  81  -0.424   3.787  -9.239
  649   1HD   LYS  81          2HD       LYS  81  -0.724   5.957  -9.644
  650   2HD   LYS  81          1HD       LYS  81   0.892   6.341  -9.047
  651   1HE   LYS  81          2HE       LYS  81   1.284   6.973 -11.164
  652   2HE   LYS  81          1HE       LYS  81   1.465   5.247 -11.466
  653   1HZ   LYS  81          1HZ       LYS  81  -0.038   6.360 -13.044
  654   2HZ   LYS  81          2HZ       LYS  81  -1.080   6.745 -11.769
  655   3HZ   LYS  81          3HZ       LYS  81  -0.806   5.127 -12.178
  656    HA   PRO  82           HA       PRO  82  -2.800   3.878  -5.140
  657   1HB   PRO  82          2HB       PRO  82  -2.554   3.397  -2.543
  658   2HB   PRO  82          1HB       PRO  82  -2.534   2.060  -3.698
  659   1HG   PRO  82          2HG       PRO  82  -0.288   3.302  -2.198
  660   2HG   PRO  82          1HG       PRO  82  -0.501   1.622  -2.716
  661   1HD   PRO  82          2HD       PRO  82   1.010   3.652  -4.016
  662   2HD   PRO  82          1HD       PRO  82   0.674   2.020  -4.609
  663    H    PHE  83           H        PHE  83  -3.337   5.121  -2.775
  664    HA   PHE  83           HA       PHE  83  -1.868   7.649  -3.032
  665   1HB   PHE  83          2HB       PHE  83  -4.736   7.014  -2.621
  666   2HB   PHE  83          1HB       PHE  83  -4.106   8.404  -1.739
  667    HD1  PHE  83           1HD      PHE  83  -2.156   9.488  -3.633
  668    HD2  PHE  83           2HD      PHE  83  -6.051   7.909  -4.302
  669    HE1  PHE  83           1HE      PHE  83  -2.362  10.866  -5.663
  670    HE2  PHE  83           2HE      PHE  83  -6.266   9.285  -6.331
  671    HZ   PHE  83           HZ       PHE  83  -4.420  10.765  -7.014
  672    H    VAL  84           H        VAL  84  -0.594   8.141  -1.430
  673    HA   VAL  84           HA       VAL  84  -0.851   6.797   1.114
  674    HB   VAL  84           HB       VAL  84   1.401   8.624   0.407
  675   1HG1  VAL  84          1HG1      VAL  84   2.585   7.483   1.977
  676   2HG1  VAL  84          2HG1      VAL  84   1.643   6.005   1.772
  677   3HG1  VAL  84          3HG1      VAL  84   0.954   7.379   2.640
  678   1HG2  VAL  84          1HG2      VAL  84   2.539   6.497  -0.483
  679   2HG2  VAL  84          2HG2      VAL  84   1.422   7.349  -1.549
  680   3HG2  VAL  84          3HG2      VAL  84   0.901   5.888  -0.710
  681    H    ILE  85           H        ILE  85  -1.942   7.740   2.654
  682    HA   ILE  85           HA       ILE  85  -1.834  10.681   2.903
  683    HB   ILE  85           HB       ILE  85  -4.032   9.270   4.285
  684   1HG1  ILE  85          2HG1      ILE  85  -4.107   8.005   2.230
  685   2HG1  ILE  85          1HG1      ILE  85  -5.420   9.178   2.208
  686   1HG2  ILE  85          1HG2      ILE  85  -3.555  11.850   2.895
  687   2HG2  ILE  85          2HG2      ILE  85  -4.249  11.528   4.484
  688   3HG2  ILE  85          3HG2      ILE  85  -5.214  11.270   3.031
  689   1HD1  ILE  85          1HD1      ILE  85  -4.651  10.124   0.358
  690   2HD1  ILE  85          2HD1      ILE  85  -3.558   8.746   0.222
  691   3HD1  ILE  85          3HD1      ILE  85  -3.013  10.231   1.003
  692    HA   PRO  86           HA       PRO  86  -0.006   9.823   6.865
  693   1HB   PRO  86          2HB       PRO  86  -0.012  12.272   7.923
  694   2HB   PRO  86          1HB       PRO  86   0.978  11.893   6.507
  695   1HG   PRO  86          2HG       PRO  86  -1.674  13.274   6.646
  696   2HG   PRO  86          1HG       PRO  86  -0.246  13.691   5.685
  697   1HD   PRO  86          2HD       PRO  86  -2.416  12.317   4.706
  698   2HD   PRO  86          1HD       PRO  86  -0.779  12.203   4.029
  699    H    ASN  87           H        ASN  87  -2.913   9.307   6.650
  700    HA   ASN  87           HA       ASN  87  -3.592   9.877   9.444
  701   1HB   ASN  87          2HB       ASN  87  -4.897  11.018   7.281
  702   2HB   ASN  87          1HB       ASN  87  -5.940   9.671   7.727
  703   1HD2  ASN  87          1HD2      ASN  87  -5.623   9.579  10.432
  704   2HD2  ASN  87          2HD2      ASN  87  -6.239  11.027  11.145
  705    H    LEU  88           H        LEU  88  -2.853   7.517   7.345
  706    HA   LEU  88           HA       LEU  88  -3.071   5.257   7.392
  707   1HB   LEU  88          2HB       LEU  88  -2.957   5.723   9.899
  708   2HB   LEU  88          1HB       LEU  88  -4.702   5.554   9.901
  709    HG   LEU  88           HG       LEU  88  -4.320   3.243   8.872
  710   1HD1  LEU  88          1HD1      LEU  88  -1.593   3.454  10.083
  711   2HD1  LEU  88          2HD1      LEU  88  -1.861   3.878   8.393
  712   3HD1  LEU  88          3HD1      LEU  88  -2.229   2.250   8.963
  713   1HD2  LEU  88          1HD2      LEU  88  -3.601   4.005  11.681
  714   2HD2  LEU  88          2HD2      LEU  88  -3.628   2.319  11.164
  715   3HD2  LEU  88          3HD2      LEU  88  -5.095   3.293  11.072
  716    HA   PRO  89           HA       PRO  89  -7.328   5.589   5.661
  717   1HB   PRO  89          2HB       PRO  89  -6.207   4.587   3.187
  718   2HB   PRO  89          1HB       PRO  89  -6.945   6.157   3.507
  719   1HG   PRO  89          2HG       PRO  89  -4.291   5.828   2.972
  720   2HG   PRO  89          1HG       PRO  89  -4.934   7.155   3.954
  721   1HD   PRO  89          2HD       PRO  89  -3.667   4.586   4.836
  722   2HD   PRO  89          1HD       PRO  89  -3.433   6.232   5.469
  723    H    VAL  90           H        VAL  90  -5.743   3.261   6.967
  724    HA   VAL  90           HA       VAL  90  -6.270   1.108   7.479
  725    HB   VAL  90           HB       VAL  90  -8.341   1.247   5.310
  726   1HG1  VAL  90          1HG1      VAL  90  -8.694  -0.893   5.809
  727   2HG1  VAL  90          2HG1      VAL  90  -9.147  -0.406   7.441
  728   3HG1  VAL  90          3HG1      VAL  90  -7.474  -0.832   7.081
  729   1HG2  VAL  90          1HG2      VAL  90  -9.538   2.632   6.568
  730   2HG2  VAL  90          2HG2      VAL  90  -8.237   2.685   7.757
  731   3HG2  VAL  90          3HG2      VAL  90  -9.504   1.466   7.890
  732    H    ASN  91           H        ASN  91  -4.968   2.170   4.667
  733    HA   ASN  91           HA       ASN  91  -3.933   1.232   2.866
  734   1HB   ASN  91          2HB       ASN  91  -2.420  -0.625   3.433
  735   2HB   ASN  91          1HB       ASN  91  -2.374   0.649   4.645
  736   1HD2  ASN  91          1HD2      ASN  91  -2.951  -2.638   4.022
  737   2HD2  ASN  91          2HD2      ASN  91  -3.412  -3.105   5.620
  738    H    LEU  92           H        LEU  92  -5.643   0.754   1.516
  739    HA   LEU  92           HA       LEU  92  -6.588  -2.044   1.573
  740   1HB   LEU  92          2HB       LEU  92  -7.941   0.527   1.004
  741   2HB   LEU  92          1HB       LEU  92  -8.353  -0.800  -0.062
  742    HG   LEU  92           HG       LEU  92  -9.957  -0.689   1.731
  743   1HD1  LEU  92          1HD1      LEU  92 -10.080  -2.915   1.975
  744   2HD1  LEU  92          2HD1      LEU  92  -8.464  -3.031   2.673
  745   3HD1  LEU  92          3HD1      LEU  92  -8.664  -2.934   0.922
  746   1HD2  LEU  92          1HD2      LEU  92  -8.190  -1.470   3.904
  747   2HD2  LEU  92          2HD2      LEU  92  -9.461  -0.247   3.858
  748   3HD2  LEU  92          3HD2      LEU  92  -7.839   0.144   3.285
  749    H    TRP  93           H        TRP  93  -6.276  -3.291  -0.173
  750    HA   TRP  93           HA       TRP  93  -4.670  -2.230  -2.327
  751   1HB   TRP  93          2HB       TRP  93  -4.985  -4.757  -1.135
  752   2HB   TRP  93          1HB       TRP  93  -5.553  -4.912  -2.786
  753    HD1  TRP  93           HD       TRP  93  -3.457  -6.518  -3.277
  754    HE1  TRP  93           1HE      TRP  93  -1.020  -5.985  -3.881
  755    HE3  TRP  93           3HE      TRP  93  -3.257  -1.616  -1.746
  756    HZ2  TRP  93           2HZ      TRP  93   0.745  -3.805  -3.751
  757    HZ3  TRP  93           3HZ      TRP  93  -1.142  -0.395  -2.034
  758    HH2  TRP  93           HH       TRP  93   0.805  -1.466  -3.018
  759    H    GLY  94           H        GLY  94  -5.264  -2.671  -4.585
  760   1HA   GLY  94          2HA       GLY  94  -7.986  -1.789  -5.003
  761   2HA   GLY  94          1HA       GLY  94  -6.728  -1.931  -6.214
  762    H    ARG  95           H        ARG  95  -9.366  -2.727  -6.653
  763    HA   ARG  95           HA       ARG  95  -9.908  -5.430  -6.194
  764   1HB   ARG  95          2HB       ARG  95 -11.630  -3.900  -6.927
  765   2HB   ARG  95          1HB       ARG  95 -10.793  -3.619  -8.441
  766   1HG   ARG  95          2HG       ARG  95 -12.141  -5.172  -9.289
  767   2HG   ARG  95          1HG       ARG  95 -11.131  -6.343  -8.440
  768   1HD   ARG  95          2HD       ARG  95 -13.492  -6.715  -7.967
  769   2HD   ARG  95          1HD       ARG  95 -12.621  -6.238  -6.510
  770    HE   ARG  95           HE       ARG  95 -13.559  -3.890  -7.317
  771   1HH1  ARG  95          1HH1      ARG  95 -15.161  -6.984  -7.079
  772   2HH1  ARG  95          2HH1      ARG  95 -16.719  -6.290  -6.786
  773   1HH2  ARG  95          1HH2      ARG  95 -15.607  -2.982  -6.929
  774   2HH2  ARG  95          2HH2      ARG  95 -16.974  -4.021  -6.699
  775    H    ASP  96           H        ASP  96  -8.096  -3.864  -8.790
  776    HA   ASP  96           HA       ASP  96  -7.885  -6.040 -10.527
  777   1HB   ASP  96          2HB       ASP  96  -7.098  -3.517 -10.717
  778   2HB   ASP  96          1HB       ASP  96  -5.557  -4.199 -10.205
  779    H    LEU  97           H        LEU  97  -5.680  -5.018  -7.932
  780    HA   LEU  97           HA       LEU  97  -3.862  -7.150  -8.254
  781   1HB   LEU  97          2HB       LEU  97  -4.413  -5.181  -6.082
  782   2HB   LEU  97          1HB       LEU  97  -3.278  -6.496  -5.820
  783    HG   LEU  97           HG       LEU  97  -2.142  -5.687  -7.981
  784   1HD1  LEU  97          1HD1      LEU  97  -2.450  -3.336  -8.496
  785   2HD1  LEU  97          2HD1      LEU  97  -3.722  -3.221  -7.281
  786   3HD1  LEU  97          3HD1      LEU  97  -3.955  -4.226  -8.710
  787   1HD2  LEU  97          1HD2      LEU  97  -1.214  -5.479  -5.735
  788   2HD2  LEU  97          2HD2      LEU  97  -2.074  -3.954  -5.523
  789   3HD2  LEU  97          3HD2      LEU  97  -0.809  -4.095  -6.744
  790    H    LEU  98           H        LEU  98  -6.479  -6.656  -5.871
  791    HA   LEU  98           HA       LEU  98  -6.147  -9.067  -4.510
  792   1HB   LEU  98          2HB       LEU  98  -8.723  -7.566  -5.008
  793   2HB   LEU  98          1HB       LEU  98  -8.485  -8.802  -3.790
  794    HG   LEU  98           HG       LEU  98  -7.666  -5.959  -3.786
  795   1HD1  LEU  98          1HD1      LEU  98  -8.327  -6.058  -1.532
  796   2HD1  LEU  98          2HD1      LEU  98  -8.212  -7.818  -1.494
  797   3HD1  LEU  98          3HD1      LEU  98  -9.497  -7.036  -2.417
  798   1HD2  LEU  98          1HD2      LEU  98  -5.949  -6.628  -1.965
  799   2HD2  LEU  98          2HD2      LEU  98  -5.473  -6.685  -3.662
  800   3HD2  LEU  98          3HD2      LEU  98  -5.906  -8.172  -2.817
  801    H    SER  99           H        SER  99  -8.068  -8.316  -7.381
  802    HA   SER  99           HA       SER  99  -9.408 -10.710  -7.737
  803   1HB   SER  99          2HB       SER  99  -8.499  -8.521  -9.507
  804   2HB   SER  99          1HB       SER  99  -8.862 -10.050 -10.306
  805    HG   SER  99           HG       SER  99 -10.930  -9.916  -9.662
  806    H    GLN 100           H        GLN 100  -6.206  -9.791  -8.936
  807    HA   GLN 100           HA       GLN 100  -5.596 -12.290 -10.120
  808   1HB   GLN 100          2HB       GLN 100  -4.242  -9.758  -9.570
  809   2HB   GLN 100          1HB       GLN 100  -3.164 -11.146  -9.550
  810   1HG   GLN 100          2HG       GLN 100  -3.722 -11.714 -11.785
  811   2HG   GLN 100          1HG       GLN 100  -5.053 -10.558 -11.811
  812   1HE2  GLN 100          1HE2      GLN 100  -4.619  -8.379 -12.061
  813   2HE2  GLN 100          2HE2      GLN 100  -3.079  -7.792 -12.578
  814    H    MET 101           H        MET 101  -4.345 -10.772  -7.157
  815    HA   MET 101           HA       MET 101  -2.695 -12.557  -6.096
  816   1HB   MET 101          2HB       MET 101  -3.980 -10.455  -5.059
  817   2HB   MET 101          1HB       MET 101  -4.829 -11.735  -4.203
  818   1HG   MET 101          2HG       MET 101  -2.430 -12.598  -3.683
  819   2HG   MET 101          1HG       MET 101  -1.963 -10.942  -4.062
  820   1HE   MET 101          1HE       MET 101  -4.557  -9.098  -1.758
  821   2HE   MET 101          2HE       MET 101  -3.914  -9.209  -3.398
  822   3HE   MET 101          3HE       MET 101  -2.864  -8.712  -2.072
  823    H    LYS 102           H        LYS 102  -6.193 -12.872  -5.403
  824    HA   LYS 102           HA       LYS 102  -6.328 -15.611  -5.961
  825   1HB   LYS 102          2HB       LYS 102  -5.133 -14.982  -3.421
  826   2HB   LYS 102          1HB       LYS 102  -6.651 -15.828  -3.165
  827   1HG   LYS 102          2HG       LYS 102  -4.640 -16.874  -5.113
  828   2HG   LYS 102          1HG       LYS 102  -4.475 -17.187  -3.384
  829   1HD   LYS 102          2HD       LYS 102  -6.636 -18.257  -3.325
  830   2HD   LYS 102          1HD       LYS 102  -6.934 -17.826  -5.011
  831   1HE   LYS 102          2HE       LYS 102  -4.791 -19.685  -3.988
  832   2HE   LYS 102          1HE       LYS 102  -6.266 -20.156  -4.831
  833   1HZ   LYS 102          1HZ       LYS 102  -5.027 -18.304  -6.458
  834   2HZ   LYS 102          2HZ       LYS 102  -5.120 -19.975  -6.705
  835   3HZ   LYS 102          3HZ       LYS 102  -3.783 -19.312  -5.909
  836    H    ILE 103           H        ILE 103  -7.955 -13.394  -6.449
  837    HA   ILE 103           HA       ILE 103 -10.258 -13.827  -4.668
  838    HB   ILE 103           HB       ILE 103  -9.301 -11.523  -6.218
  839   1HG1  ILE 103          2HG1      ILE 103 -10.384 -10.296  -4.391
  840   2HG1  ILE 103          1HG1      ILE 103 -11.109 -11.794  -3.812
  841   1HG2  ILE 103          1HG2      ILE 103 -11.663 -10.588  -6.369
  842   2HG2  ILE 103          2HG2      ILE 103 -12.212 -12.256  -6.216
  843   3HG2  ILE 103          3HG2      ILE 103 -11.199 -11.783  -7.580
  844   1HD1  ILE 103          1HD1      ILE 103  -8.260 -12.075  -4.060
  845   2HD1  ILE 103          2HD1      ILE 103  -9.295 -12.289  -2.649
  846   3HD1  ILE 103          3HD1      ILE 103  -8.674 -10.689  -3.053
  847    H    MET 104           H        MET 104  -9.636 -13.358  -8.162
  848    HA   MET 104           HA       MET 104 -12.130 -14.561  -8.884
  849   1HB   MET 104          2HB       MET 104 -11.456 -14.246 -11.156
  850   2HB   MET 104          1HB       MET 104 -10.945 -12.827 -10.255
  851   1HG   MET 104          2HG       MET 104  -8.667 -13.715 -10.160
  852   2HG   MET 104          1HG       MET 104  -9.186 -15.128 -11.077
  853   1HE   MET 104          1HE       MET 104  -6.759 -13.810 -12.284
  854   2HE   MET 104          2HE       MET 104  -7.093 -12.313 -11.412
  855   3HE   MET 104          3HE       MET 104  -6.962 -12.300 -13.171
  856    H    MET 105           H        MET 105 -12.580 -16.649  -9.060
  857    HA   MET 105           HA       MET 105 -10.678 -18.651  -8.477
  858   1HB   MET 105          2HB       MET 105 -13.381 -18.549  -8.434
  859   2HB   MET 105          1HB       MET 105 -13.132 -19.463  -9.915
  860   1HG   MET 105          2HG       MET 105 -13.426 -20.945  -8.026
  861   2HG   MET 105          1HG       MET 105 -11.802 -21.098  -8.693
  862   1HE   MET 105          1HE       MET 105 -13.244 -18.245  -6.375
  863   2HE   MET 105          2HE       MET 105 -12.809 -18.865  -4.781
  864   3HE   MET 105          3HE       MET 105 -13.997 -19.719  -5.764
  865    H    ALA 106           H        ALA 106  -9.037 -18.071 -10.076
  866    HA   ALA 106           HA       ALA 106  -9.520 -18.469 -12.860
  867   1HB   ALA 106          1HB       ALA 106  -6.868 -18.632 -12.752
  868   2HB   ALA 106          2HB       ALA 106  -7.152 -17.924 -11.161
  869   3HB   ALA 106          3HB       ALA 106  -7.724 -17.096 -12.609
  870    H    SER 107           H        SER 107  -9.445 -20.281 -14.037
  871    HA   SER 107           HA       SER 107  -9.359 -22.818 -12.810
  872   1HB   SER 107          2HB       SER 107  -9.476 -23.720 -15.085
  873   2HB   SER 107          1HB       SER 107 -10.596 -22.371 -14.898
  874    HG   SER 107           HG       SER 107  -9.467 -22.124 -16.818
  Start of MODEL    5
    1   1H    TRP   1          1HT       TRP   1   2.599 -23.127  -2.272
    2   2H    TRP   1          2HT       TRP   1   3.473 -23.960  -1.051
    3   3H    TRP   1          3HT       TRP   1   3.828 -24.239  -2.707
    4    HA   TRP   1           HA       TRP   1   5.447 -22.841  -1.592
    5   1HB   TRP   1          2HB       TRP   1   3.791 -21.576  -3.790
    6   2HB   TRP   1          1HB       TRP   1   5.443 -21.124  -3.382
    7    HD1  TRP   1           HD       TRP   1   3.472 -23.535  -5.451
    8    HE1  TRP   1           1HE      TRP   1   5.063 -25.161  -6.656
    9    HE3  TRP   1           3HE      TRP   1   7.804 -22.429  -2.966
   10    HZ2  TRP   1           2HZ      TRP   1   7.791 -25.879  -6.566
   11    HZ3  TRP   1           3HZ      TRP   1   9.858 -23.632  -3.586
   12    HH2  TRP   1           HH       TRP   1   9.850 -25.322  -5.349
   13    H    VAL   2           H        VAL   2   2.652 -20.781  -2.391
   14    HA   VAL   2           HA       VAL   2   3.334 -18.793  -0.502
   15    HB   VAL   2           HB       VAL   2   1.184 -17.784  -0.999
   16   1HG1  VAL   2          1HG1      VAL   2   1.409 -17.538  -3.407
   17   2HG1  VAL   2          2HG1      VAL   2   2.407 -18.989  -3.479
   18   3HG1  VAL   2          3HG1      VAL   2   2.993 -17.555  -2.637
   19   1HG2  VAL   2          1HG2      VAL   2  -0.115 -19.249  -2.860
   20   2HG2  VAL   2          2HG2      VAL   2  -0.510 -19.271  -1.142
   21   3HG2  VAL   2          3HG2      VAL   2   0.513 -20.533  -1.827
   22    H    GLN   3           H        GLN   3   1.773 -18.054   1.245
   23    HA   GLN   3           HA       GLN   3   1.263 -20.319   2.993
   24   1HB   GLN   3          2HB       GLN   3   1.251 -17.337   3.384
   25   2HB   GLN   3          1HB       GLN   3   0.651 -18.431   4.621
   26   1HG   GLN   3          2HG       GLN   3   3.396 -18.733   3.461
   27   2HG   GLN   3          1HG       GLN   3   3.068 -17.627   4.793
   28   1HE2  GLN   3          1HE2      GLN   3   4.459 -20.376   4.329
   29   2HE2  GLN   3          2HE2      GLN   3   3.949 -21.290   5.704
   30    HA   PRO   4           HA       PRO   4  -3.024 -20.111   1.577
   31   1HB   PRO   4          2HB       PRO   4  -3.394 -22.606   3.038
   32   2HB   PRO   4          1HB       PRO   4  -3.489 -22.311   1.300
   33   1HG   PRO   4          2HG       PRO   4  -1.495 -23.753   2.445
   34   2HG   PRO   4          1HG       PRO   4  -1.273 -22.804   0.964
   35   1HD   PRO   4          2HD       PRO   4  -0.514 -22.126   3.783
   36   2HD   PRO   4          1HD       PRO   4   0.394 -21.871   2.278
   37    H    ILE   5           H        ILE   5  -4.410 -18.851   2.605
   38    HA   ILE   5           HA       ILE   5  -4.696 -19.138   5.519
   39    HB   ILE   5           HB       ILE   5  -3.911 -16.926   4.662
   40   1HG1  ILE   5          2HG1      ILE   5  -5.342 -17.399   6.796
   41   2HG1  ILE   5          1HG1      ILE   5  -5.058 -15.739   6.288
   42   1HG2  ILE   5          1HG2      ILE   5  -6.704 -16.602   3.584
   43   2HG2  ILE   5          2HG2      ILE   5  -5.293 -16.966   2.591
   44   3HG2  ILE   5          3HG2      ILE   5  -5.370 -15.452   3.490
   45   1HD1  ILE   5          1HD1      ILE   5  -7.223 -15.365   5.940
   46   2HD1  ILE   5          2HD1      ILE   5  -7.480 -16.821   6.901
   47   3HD1  ILE   5          3HD1      ILE   5  -7.464 -16.917   5.140
   48    H    THR   6           H        THR   6  -6.442 -20.212   6.125
   49    HA   THR   6           HA       THR   6  -8.609 -20.760   4.364
   50    HB   THR   6           HB       THR   6  -9.642 -21.750   6.480
   51    HG1  THR   6           1HG      THR   6  -8.266 -21.922   8.243
   52   1HG2  THR   6          1HG2      THR   6  -7.880 -22.846   4.792
   53   2HG2  THR   6          2HG2      THR   6  -8.549 -23.692   6.188
   54   3HG2  THR   6          3HG2      THR   6  -6.957 -22.940   6.290
   55    H    ALA   7           H        ALA   7 -10.833 -20.242   4.677
   56    HA   ALA   7           HA       ALA   7 -12.584 -18.826   4.987
   57   1HB   ALA   7          1HB       ALA   7 -11.041 -18.584   7.489
   58   2HB   ALA   7          2HB       ALA   7 -12.743 -18.970   7.233
   59   3HB   ALA   7          3HB       ALA   7 -12.199 -17.294   7.164
   60    H    GLN   8           H        GLN   8 -13.113 -17.004   3.958
   61    HA   GLN   8           HA       GLN   8 -11.109 -15.299   2.909
   62   1HB   GLN   8          2HB       GLN   8 -14.120 -15.084   2.972
   63   2HB   GLN   8          1HB       GLN   8 -13.094 -13.917   2.151
   64   1HG   GLN   8          2HG       GLN   8 -12.844 -16.820   1.513
   65   2HG   GLN   8          1HG       GLN   8 -14.162 -15.873   0.825
   66   1HE2  GLN   8          1HE2      GLN   8 -10.924 -16.756   0.554
   67   2HE2  GLN   8          2HE2      GLN   8 -10.470 -15.662  -0.704
   68    H    LYS   9           H        LYS   9  -9.970 -14.395   4.622
   69    HA   LYS   9           HA       LYS   9 -11.413 -12.275   6.060
   70   1HB   LYS   9          2HB       LYS   9 -10.159 -14.566   7.200
   71   2HB   LYS   9          1HB       LYS   9  -9.206 -13.155   7.644
   72   1HG   LYS   9          2HG       LYS   9 -10.746 -13.381   9.371
   73   2HG   LYS   9          1HG       LYS   9 -11.420 -12.104   8.357
   74   1HD   LYS   9          2HD       LYS   9 -13.309 -13.316   8.459
   75   2HD   LYS   9          1HD       LYS   9 -12.529 -14.326   7.241
   76   1HE   LYS   9          2HE       LYS   9 -11.611 -15.731   9.070
   77   2HE   LYS   9          1HE       LYS   9 -12.532 -14.765  10.224
   78   1HZ   LYS   9          1HZ       LYS   9 -13.649 -16.847   9.587
   79   2HZ   LYS   9          2HZ       LYS   9 -13.732 -16.306   7.988
   80   3HZ   LYS   9          3HZ       LYS   9 -14.566 -15.478   9.203
   81    HA   PRO  10           HA       PRO  10  -8.126  -9.621   4.801
   82   1HB   PRO  10          2HB       PRO  10  -8.067  -8.144   7.267
   83   2HB   PRO  10          1HB       PRO  10  -8.810  -7.692   5.738
   84   1HG   PRO  10          2HG       PRO  10 -10.220  -8.279   8.015
   85   2HG   PRO  10          1HG       PRO  10 -10.867  -8.441   6.374
   86   1HD   PRO  10          2HD       PRO  10  -9.794 -10.544   8.209
   87   2HD   PRO  10          1HD       PRO  10 -11.170 -10.616   7.086
   88    H    SER  11           H        SER  11  -6.925 -11.910   5.515
   89    HA   SER  11           HA       SER  11  -4.459 -10.975   6.696
   90   1HB   SER  11          2HB       SER  11  -4.359 -12.879   8.321
   91   2HB   SER  11          1HB       SER  11  -5.589 -11.673   8.699
   92    HG   SER  11           HG       SER  11  -5.870 -14.316   8.032
   93    H    LEU  12           H        LEU  12  -2.758 -11.872   5.735
   94    HA   LEU  12           HA       LEU  12  -2.675 -14.543   4.773
   95   1HB   LEU  12          2HB       LEU  12  -2.348 -13.909   2.350
   96   2HB   LEU  12          1HB       LEU  12  -3.991 -13.867   2.950
   97    HG   LEU  12           HG       LEU  12  -3.024 -11.958   1.404
   98   1HD1  LEU  12          1HD1      LEU  12  -5.168 -11.503   1.823
   99   2HD1  LEU  12          2HD1      LEU  12  -4.538 -10.400   3.044
  100   3HD1  LEU  12          3HD1      LEU  12  -5.055 -12.023   3.500
  101   1HD2  LEU  12          1HD2      LEU  12  -2.305 -10.018   2.663
  102   2HD2  LEU  12          2HD2      LEU  12  -1.169 -11.349   2.859
  103   3HD2  LEU  12          3HD2      LEU  12  -2.305 -10.956   4.148
  104    H    THR  13           H        THR  13  -0.576 -15.112   3.896
  105    HA   THR  13           HA       THR  13   1.454 -13.131   4.705
  106    HB   THR  13           HB       THR  13   2.257 -15.930   4.179
  107    HG1  THR  13           1HG      THR  13   0.825 -15.229   6.518
  108   1HG2  THR  13          1HG2      THR  13   3.109 -15.210   6.681
  109   2HG2  THR  13          2HG2      THR  13   3.144 -13.687   5.789
  110   3HG2  THR  13          3HG2      THR  13   4.040 -15.081   5.188
  111    H    LEU  14           H        LEU  14   2.308 -12.030   3.143
  112    HA   LEU  14           HA       LEU  14   3.325 -13.364   0.759
  113   1HB   LEU  14          2HB       LEU  14   1.834 -10.754   0.560
  114   2HB   LEU  14          1HB       LEU  14   2.491 -11.700  -0.752
  115    HG   LEU  14           HG       LEU  14   0.055 -12.285   0.913
  116   1HD1  LEU  14          1HD1      LEU  14   0.135 -10.702  -1.165
  117   2HD1  LEU  14          2HD1      LEU  14  -1.183 -11.860  -0.973
  118   3HD1  LEU  14          3HD1      LEU  14   0.157 -12.221  -2.063
  119   1HD2  LEU  14          1HD2      LEU  14   0.356 -14.146  -1.215
  120   2HD2  LEU  14          2HD2      LEU  14   0.221 -14.452   0.516
  121   3HD2  LEU  14          3HD2      LEU  14   1.804 -14.196  -0.213
  122    H    TRP  15           H        TRP  15   4.971 -11.998  -0.333
  123    HA   TRP  15           HA       TRP  15   6.270 -10.298   1.662
  124   1HB   TRP  15          2HB       TRP  15   8.324 -10.910   0.847
  125   2HB   TRP  15          1HB       TRP  15   7.401 -12.368   0.569
  126    HD1  TRP  15           HD       TRP  15   6.254 -10.536  -2.260
  127    HE1  TRP  15           1HE      TRP  15   7.768 -10.862  -4.302
  128    HE3  TRP  15           3HE      TRP  15  10.404 -12.440   0.044
  129    HZ2  TRP  15           2HZ      TRP  15  10.339 -11.800  -4.895
  130    HZ3  TRP  15           3HZ      TRP  15  12.342 -13.030  -1.346
  131    HH2  TRP  15           HH       TRP  15  12.311 -12.720  -3.762
  132    H    LEU  16           H        LEU  16   7.159  -8.300   1.110
  133    HA   LEU  16           HA       LEU  16   6.275  -7.119  -1.422
  134   1HB   LEU  16          2HB       LEU  16   5.533  -5.078  -0.118
  135   2HB   LEU  16          1HB       LEU  16   4.491  -6.483  -0.037
  136    HG   LEU  16           HG       LEU  16   5.949  -6.940   2.161
  137   1HD1  LEU  16          1HD1      LEU  16   5.713  -3.984   2.364
  138   2HD1  LEU  16          2HD1      LEU  16   7.115  -4.661   1.535
  139   3HD1  LEU  16          3HD1      LEU  16   6.786  -5.095   3.213
  140   1HD2  LEU  16          1HD2      LEU  16   3.669  -4.971   2.133
  141   2HD2  LEU  16          2HD2      LEU  16   4.123  -6.076   3.430
  142   3HD2  LEU  16          3HD2      LEU  16   3.468  -6.711   1.921
  143    H    ASP  17           H        ASP  17   7.399  -5.173  -2.012
  144    HA   ASP  17           HA       ASP  17   9.255  -3.878  -2.247
  145   1HB   ASP  17          2HB       ASP  17   8.595  -3.567   0.343
  146   2HB   ASP  17          1HB       ASP  17  10.184  -4.301   0.543
  147    H    ASP  18           H        ASP  18  10.299  -6.263   0.184
  148    HA   ASP  18           HA       ASP  18  11.730  -7.929  -1.532
  149   1HB   ASP  18          2HB       ASP  18  13.060  -5.454  -1.052
  150   2HB   ASP  18          1HB       ASP  18  13.947  -6.709  -0.196
  151    H    LYS  19           H        LYS  19  10.048  -8.234   0.650
  152    HA   LYS  19           HA       LYS  19  11.520 -10.062   2.244
  153   1HB   LYS  19          2HB       LYS  19  11.225  -8.954   4.430
  154   2HB   LYS  19          1HB       LYS  19  12.311  -8.063   3.370
  155   1HG   LYS  19          2HG       LYS  19  10.126  -6.757   2.746
  156   2HG   LYS  19          1HG       LYS  19   9.575  -7.365   4.308
  157   1HD   LYS  19          2HD       LYS  19  10.580  -5.158   4.546
  158   2HD   LYS  19          1HD       LYS  19  11.542  -6.377   5.385
  159   1HE   LYS  19          2HE       LYS  19  12.366  -6.001   2.619
  160   2HE   LYS  19          1HE       LYS  19  12.477  -4.518   3.567
  161   1HZ   LYS  19          1HZ       LYS  19  13.600  -6.153   5.269
  162   2HZ   LYS  19          2HZ       LYS  19  14.490  -5.438   4.023
  163   3HZ   LYS  19          3HZ       LYS  19  13.946  -7.031   3.866
  164    H    MET  20           H        MET  20  10.175 -11.384   3.513
  165    HA   MET  20           HA       MET  20   7.464 -11.496   2.632
  166   1HB   MET  20          2HB       MET  20   9.091 -13.111   4.565
  167   2HB   MET  20          1HB       MET  20   7.359 -13.364   4.401
  168   1HG   MET  20          2HG       MET  20   8.638 -13.310   1.821
  169   2HG   MET  20          1HG       MET  20   9.385 -14.508   2.877
  170   1HE   MET  20          1HE       MET  20   6.495 -15.630   0.155
  171   2HE   MET  20          2HE       MET  20   7.674 -14.318   0.185
  172   3HE   MET  20          3HE       MET  20   5.984 -13.996   0.578
  173    H    PHE  21           H        PHE  21   5.570 -11.342   3.850
  174    HA   PHE  21           HA       PHE  21   5.570 -10.435   6.558
  175   1HB   PHE  21          2HB       PHE  21   5.674  -8.464   4.443
  176   2HB   PHE  21          1HB       PHE  21   4.176  -8.316   5.355
  177    HD1  PHE  21           1HD      PHE  21   7.348  -7.078   5.133
  178    HD2  PHE  21           2HD      PHE  21   4.660  -8.653   8.031
  179    HE1  PHE  21           1HE      PHE  21   8.551  -5.864   6.903
  180    HE2  PHE  21           2HE      PHE  21   5.858  -7.441   9.807
  181    HZ   PHE  21           HZ       PHE  21   7.806  -6.044   9.244
  182    H    THR  22           H        THR  22   3.183  -9.455   6.971
  183    HA   THR  22           HA       THR  22   1.274 -11.156   5.528
  184    HB   THR  22           HB       THR  22   0.765 -10.752   8.414
  185    HG1  THR  22           1HG      THR  22   2.251 -12.212   9.080
  186   1HG2  THR  22          1HG2      THR  22  -0.744 -12.115   7.106
  187   2HG2  THR  22          2HG2      THR  22   0.087 -13.097   8.313
  188   3HG2  THR  22          3HG2      THR  22   0.590 -13.163   6.623
  189    H    GLY  23           H        GLY  23  -0.162  -9.875   4.594
  190   1HA   GLY  23          2HA       GLY  23  -0.942  -7.394   6.001
  191   2HA   GLY  23          1HA       GLY  23  -0.908  -7.563   4.251
  192    H    LEU  24           H        LEU  24  -3.098  -6.878   4.152
  193    HA   LEU  24           HA       LEU  24  -4.949  -9.069   4.726
  194   1HB   LEU  24          2HB       LEU  24  -6.596  -7.682   5.690
  195   2HB   LEU  24          1HB       LEU  24  -5.099  -7.332   6.525
  196    HG   LEU  24           HG       LEU  24  -6.155  -5.258   6.237
  197   1HD1  LEU  24          1HD1      LEU  24  -4.630  -3.991   4.983
  198   2HD1  LEU  24          2HD1      LEU  24  -4.287  -5.330   3.892
  199   3HD1  LEU  24          3HD1      LEU  24  -3.729  -5.392   5.562
  200   1HD2  LEU  24          1HD2      LEU  24  -7.388  -6.445   4.042
  201   2HD2  LEU  24          2HD2      LEU  24  -6.461  -5.099   3.376
  202   3HD2  LEU  24          3HD2      LEU  24  -7.640  -4.810   4.654
  203    H    ILE  25           H        ILE  25  -6.280  -9.538   3.098
  204    HA   ILE  25           HA       ILE  25  -6.353  -7.648   0.835
  205    HB   ILE  25           HB       ILE  25  -6.634 -10.662   0.794
  206   1HG1  ILE  25          2HG1      ILE  25  -4.507  -8.941  -0.486
  207   2HG1  ILE  25          1HG1      ILE  25  -4.327  -9.633   1.121
  208   1HG2  ILE  25          1HG2      ILE  25  -7.979  -9.185  -0.903
  209   2HG2  ILE  25          2HG2      ILE  25  -7.106 -10.612  -1.454
  210   3HG2  ILE  25          3HG2      ILE  25  -6.406  -9.010  -1.679
  211   1HD1  ILE  25          1HD1      ILE  25  -3.191 -11.069  -0.350
  212   2HD1  ILE  25          2HD1      ILE  25  -4.528 -11.068  -1.503
  213   3HD1  ILE  25          3HD1      ILE  25  -4.704 -11.887   0.046
  214    H    ASN  26           H        ASN  26  -8.203  -6.571   0.802
  215    HA   ASN  26           HA       ASN  26 -10.628  -7.800   1.835
  216   1HB   ASN  26          2HB       ASN  26 -11.621  -5.514   1.335
  217   2HB   ASN  26          1HB       ASN  26 -10.356  -5.556   2.558
  218   1HD2  ASN  26          1HD2      ASN  26 -11.197  -3.289   1.088
  219   2HD2  ASN  26          2HD2      ASN  26  -9.851  -2.739   0.156
  220    H    THR  27           H        THR  27 -11.741  -9.045   0.527
  221    HA   THR  27           HA       THR  27 -11.462  -9.249  -2.214
  222    HB   THR  27           HB       THR  27 -12.475 -10.963  -0.777
  223    HG1  THR  27           1HG      THR  27 -12.942 -11.292  -2.872
  224   1HG2  THR  27          1HG2      THR  27 -13.979  -9.215   0.421
  225   2HG2  THR  27          2HG2      THR  27 -14.566 -10.857   0.158
  226   3HG2  THR  27          3HG2      THR  27 -15.096  -9.551  -0.901
  227    H    GLY  28           H        GLY  28 -12.908  -6.708  -0.551
  228   1HA   GLY  28          2HA       GLY  28 -14.442  -5.936  -2.951
  229   2HA   GLY  28          1HA       GLY  28 -14.908  -5.480  -1.320
  230    H    ALA  29           H        ALA  29 -11.576  -5.472  -2.294
  231    HA   ALA  29           HA       ALA  29 -11.189  -2.768  -1.553
  232   1HB   ALA  29          1HB       ALA  29  -9.582  -5.007  -2.255
  233   2HB   ALA  29          2HB       ALA  29  -9.094  -3.503  -1.473
  234   3HB   ALA  29          3HB       ALA  29  -9.069  -3.632  -3.231
  235    H    ASP  30           H        ASP  30 -11.802  -1.048  -2.692
  236    HA   ASP  30           HA       ASP  30 -12.239  -1.288  -5.561
  237   1HB   ASP  30          2HB       ASP  30 -13.432   0.830  -5.377
  238   2HB   ASP  30          1HB       ASP  30 -14.019  -0.307  -4.167
  239    H    VAL  31           H        VAL  31 -10.473   0.787  -3.284
  240    HA   VAL  31           HA       VAL  31  -8.616   1.428  -5.465
  241    HB   VAL  31           HB       VAL  31 -10.113   3.349  -5.191
  242   1HG1  VAL  31          1HG1      VAL  31 -10.838   4.048  -3.217
  243   2HG1  VAL  31          2HG1      VAL  31  -9.189   4.331  -2.663
  244   3HG1  VAL  31          3HG1      VAL  31  -9.927   2.742  -2.457
  245   1HG2  VAL  31          1HG2      VAL  31  -8.069   4.901  -4.242
  246   2HG2  VAL  31          2HG2      VAL  31  -8.228   4.327  -5.903
  247   3HG2  VAL  31          3HG2      VAL  31  -7.224   3.441  -4.756
  248    H    THR  32           H        THR  32  -6.681   0.745  -4.923
  249    HA   THR  32           HA       THR  32  -5.927  -0.104  -2.366
  250    HB   THR  32           HB       THR  32  -4.878  -1.011  -4.344
  251    HG1  THR  32           1HG      THR  32  -3.306   0.232  -2.425
  252   1HG2  THR  32          1HG2      THR  32  -4.368   1.780  -5.003
  253   2HG2  THR  32          2HG2      THR  32  -4.518   0.367  -6.045
  254   3HG2  THR  32          3HG2      THR  32  -2.987   0.712  -5.240
  255    H    ILE  33           H        ILE  33  -5.593   1.103  -0.657
  256    HA   ILE  33           HA       ILE  33  -4.127   3.641  -0.967
  257    HB   ILE  33           HB       ILE  33  -6.009   3.298   1.328
  258   1HG1  ILE  33          2HG1      ILE  33  -7.425   2.753  -0.564
  259   2HG1  ILE  33          1HG1      ILE  33  -7.810   4.376  -0.004
  260   1HG2  ILE  33          1HG2      ILE  33  -4.452   5.179   1.255
  261   2HG2  ILE  33          2HG2      ILE  33  -6.130   5.716   1.189
  262   3HG2  ILE  33          3HG2      ILE  33  -5.153   5.696  -0.278
  263   1HD1  ILE  33          1HD1      ILE  33  -7.220   5.306  -1.941
  264   2HD1  ILE  33          2HD1      ILE  33  -7.344   3.672  -2.588
  265   3HD1  ILE  33          3HD1      ILE  33  -5.777   4.306  -2.093
  266    H    ILE  34           H        ILE  34  -2.318   3.785   0.173
  267    HA   ILE  34           HA       ILE  34  -1.975   2.053   2.520
  268    HB   ILE  34           HB       ILE  34  -0.549   1.736   0.156
  269   1HG1  ILE  34          2HG1      ILE  34   0.861   0.219   1.504
  270   2HG1  ILE  34          1HG1      ILE  34   0.229   0.955   2.973
  271   1HG2  ILE  34          1HG2      ILE  34   1.791   2.308   0.791
  272   2HG2  ILE  34          2HG2      ILE  34   1.141   3.259   2.130
  273   3HG2  ILE  34          3HG2      ILE  34   0.772   3.709   0.463
  274   1HD1  ILE  34          1HD1      ILE  34  -1.336  -0.608   2.956
  275   2HD1  ILE  34          2HD1      ILE  34  -0.886  -1.131   1.332
  276   3HD1  ILE  34          3HD1      ILE  34  -2.026   0.198   1.546
  277    H    LYS  35           H        LYS  35  -1.776   3.254   4.240
  278    HA   LYS  35           HA       LYS  35  -1.684   5.972   4.381
  279   1HB   LYS  35          2HB       LYS  35  -0.716   5.585   6.735
  280   2HB   LYS  35          1HB       LYS  35  -2.259   4.843   6.355
  281   1HG   LYS  35          2HG       LYS  35   0.024   3.138   5.751
  282   2HG   LYS  35          1HG       LYS  35  -0.120   3.569   7.452
  283   1HD   LYS  35          2HD       LYS  35  -2.569   2.889   7.245
  284   2HD   LYS  35          1HD       LYS  35  -2.114   2.157   5.712
  285   1HE   LYS  35          2HE       LYS  35  -2.123   0.712   7.872
  286   2HE   LYS  35          1HE       LYS  35  -0.809   0.539   6.713
  287   1HZ   LYS  35          1HZ       LYS  35  -0.581   2.392   9.000
  288   2HZ   LYS  35          2HZ       LYS  35   0.652   1.687   8.082
  289   3HZ   LYS  35          3HZ       LYS  35  -0.229   0.747   9.178
  290    H    LEU  36           H        LEU  36  -0.039   7.401   5.309
  291    HA   LEU  36           HA       LEU  36   2.320   7.315   3.715
  292   1HB   LEU  36          2HB       LEU  36   0.889   9.259   5.121
  293   2HB   LEU  36          1HB       LEU  36   2.458   9.197   5.905
  294    HG   LEU  36           HG       LEU  36   2.823   9.191   3.063
  295   1HD1  LEU  36          1HD1      LEU  36   0.507  10.523   3.659
  296   2HD1  LEU  36          2HD1      LEU  36   1.515  10.797   2.243
  297   3HD1  LEU  36          3HD1      LEU  36   1.708  11.810   3.674
  298   1HD2  LEU  36          1HD2      LEU  36   3.501  11.618   4.550
  299   2HD2  LEU  36          2HD2      LEU  36   4.529  10.534   3.613
  300   3HD2  LEU  36          3HD2      LEU  36   4.109  10.132   5.277
  301    H    GLU  37           H        GLU  37   1.524   6.425   6.987
  302    HA   GLU  37           HA       GLU  37   4.053   6.408   8.150
  303   1HB   GLU  37          2HB       GLU  37   1.720   4.546   8.625
  304   2HB   GLU  37          1HB       GLU  37   3.131   4.662   9.668
  305   1HG   GLU  37          2HG       GLU  37   2.223   6.348  10.766
  306   2HG   GLU  37          1HG       GLU  37   2.070   7.274   9.275
  307    H    ASP  38           H        ASP  38   2.717   4.355   5.722
  308    HA   ASP  38           HA       ASP  38   4.958   2.472   6.025
  309   1HB   ASP  38          2HB       ASP  38   2.192   2.036   5.602
  310   2HB   ASP  38          1HB       ASP  38   3.015   1.560   4.120
  311    H    TRP  39           H        TRP  39   4.931   5.162   4.693
  312    HA   TRP  39           HA       TRP  39   5.550   4.349   1.938
  313   1HB   TRP  39          2HB       TRP  39   4.325   6.157   1.411
  314   2HB   TRP  39          1HB       TRP  39   4.268   6.683   3.087
  315    HD1  TRP  39           HD       TRP  39   6.038   7.344  -0.203
  316    HE1  TRP  39           1HE      TRP  39   7.523   9.431   0.042
  317    HE3  TRP  39           3HE      TRP  39   5.686   8.020   4.856
  318    HZ2  TRP  39           2HZ      TRP  39   8.415  11.147   2.106
  319    HZ3  TRP  39           3HZ      TRP  39   6.879   9.908   5.881
  320    HH2  TRP  39           HH       TRP  39   8.216  11.438   4.533
  321    HA   PRO  40           HA       PRO  40   9.883   4.871   2.579
  322   1HB   PRO  40          2HB       PRO  40  10.633   5.955   0.176
  323   2HB   PRO  40          1HB       PRO  40  10.283   4.241   0.417
  324   1HG   PRO  40          2HG       PRO  40   8.532   6.395  -0.699
  325   2HG   PRO  40          1HG       PRO  40   8.749   4.725  -1.258
  326   1HD   PRO  40          2HD       PRO  40   6.612   5.468   0.197
  327   2HD   PRO  40          1HD       PRO  40   7.351   3.864   0.374
  328    HA   PRO  41           HA       PRO  41   9.685   9.185   4.029
  329   1HB   PRO  41          2HB       PRO  41  12.224   8.349   5.306
  330   2HB   PRO  41          1HB       PRO  41  10.793   9.095   6.027
  331   1HG   PRO  41          2HG       PRO  41  11.346   6.516   6.432
  332   2HG   PRO  41          1HG       PRO  41   9.675   7.074   6.222
  333   1HD   PRO  41          2HD       PRO  41  11.476   5.699   4.266
  334   2HD   PRO  41          1HD       PRO  41   9.739   5.467   4.556
  335    H    ASN  42           H        ASN  42  12.084   7.531   2.204
  336    HA   ASN  42           HA       ASN  42  14.146   9.297   1.926
  337   1HB   ASN  42          2HB       ASN  42  13.607   6.992   0.760
  338   2HB   ASN  42          1HB       ASN  42  13.057   8.030  -0.551
  339   1HD2  ASN  42          1HD2      ASN  42  15.617   6.356   0.582
  340   2HD2  ASN  42          2HD2      ASN  42  16.902   7.223  -0.178
  341    H    TRP  43           H        TRP  43  10.968   9.497   0.374
  342    HA   TRP  43           HA       TRP  43  11.572  12.281  -0.325
  343   1HB   TRP  43          2HB       TRP  43  10.762  12.042  -2.573
  344   2HB   TRP  43          1HB       TRP  43  11.979  10.795  -2.315
  345    HD1  TRP  43           HD       TRP  43   8.129  11.166  -2.420
  346    HE1  TRP  43           1HE      TRP  43   7.125   8.911  -3.148
  347    HE3  TRP  43           3HE      TRP  43  12.413   8.375  -2.596
  348    HZ2  TRP  43           2HZ      TRP  43   8.018   6.312  -3.730
  349    HZ3  TRP  43           3HZ      TRP  43  12.244   6.009  -3.253
  350    HH2  TRP  43           HH       TRP  43  10.088   5.005  -3.807
  351    HA   PRO  44           HA       PRO  44   7.483  12.863   1.385
  352   1HB   PRO  44          2HB       PRO  44   7.001  15.366   0.422
  353   2HB   PRO  44          1HB       PRO  44   8.067  15.057   1.798
  354   1HG   PRO  44          2HG       PRO  44   8.771  15.551  -1.068
  355   2HG   PRO  44          1HG       PRO  44   9.542  16.181   0.399
  356   1HD   PRO  44          2HD       PRO  44  10.573  14.114  -1.008
  357   2HD   PRO  44          1HD       PRO  44  10.739  14.241   0.756
  358    H    ILE  45           H        ILE  45   5.306  12.769   0.638
  359    HA   ILE  45           HA       ILE  45   5.018  12.733  -2.292
  360    HB   ILE  45           HB       ILE  45   3.275  10.886  -1.635
  361   1HG1  ILE  45          2HG1      ILE  45   4.378   9.293  -0.052
  362   2HG1  ILE  45          1HG1      ILE  45   5.580  10.524   0.290
  363   1HG2  ILE  45          1HG2      ILE  45   6.162  10.591  -2.350
  364   2HG2  ILE  45          2HG2      ILE  45   4.744  10.492  -3.397
  365   3HG2  ILE  45          3HG2      ILE  45   5.081   9.200  -2.239
  366   1HD1  ILE  45          1HD1      ILE  45   3.176  10.078   1.597
  367   2HD1  ILE  45          2HD1      ILE  45   2.949  11.567   0.700
  368   3HD1  ILE  45          3HD1      ILE  45   4.288  11.421   1.835
  369    H    THR  46           H        THR  46   3.333  13.599  -3.097
  370    HA   THR  46           HA       THR  46   0.851  13.937  -1.695
  371    HB   THR  46           HB       THR  46   2.583  16.036  -1.725
  372    HG1  THR  46           1HG      THR  46  -0.234  15.960  -1.754
  373   1HG2  THR  46          1HG2      THR  46   2.128  17.584  -3.389
  374   2HG2  THR  46          2HG2      THR  46   0.694  16.712  -3.935
  375   3HG2  THR  46          3HG2      THR  46   2.302  16.061  -4.265
  376    H    ASP  47           H        ASP  47  -0.672  15.073  -3.455
  377    HA   ASP  47           HA       ASP  47   0.102  14.435  -6.155
  378   1HB   ASP  47          2HB       ASP  47  -1.518  12.554  -4.735
  379   2HB   ASP  47          1HB       ASP  47  -2.477  13.287  -6.016
  380    H    THR  48           H        THR  48  -2.328  14.797  -7.465
  381    HA   THR  48           HA       THR  48  -2.818  17.597  -6.764
  382    HB   THR  48           HB       THR  48  -3.981  17.623  -9.029
  383    HG1  THR  48           1HG      THR  48  -3.856  15.894 -10.281
  384   1HG2  THR  48          1HG2      THR  48  -2.011  17.869 -10.273
  385   2HG2  THR  48          2HG2      THR  48  -1.121  16.752  -9.239
  386   3HG2  THR  48          3HG2      THR  48  -1.590  18.338  -8.625
  387    H    LEU  49           H        LEU  49  -4.488  18.027  -5.459
  388    HA   LEU  49           HA       LEU  49  -6.968  16.480  -5.853
  389   1HB   LEU  49          2HB       LEU  49  -5.640  16.131  -3.671
  390   2HB   LEU  49          1HB       LEU  49  -6.191  17.729  -3.245
  391    HG   LEU  49           HG       LEU  49  -8.448  17.052  -3.121
  392   1HD1  LEU  49          1HD1      LEU  49  -9.052  15.753  -4.872
  393   2HD1  LEU  49          2HD1      LEU  49  -8.815  14.463  -3.693
  394   3HD1  LEU  49          3HD1      LEU  49  -7.544  14.839  -4.857
  395   1HD2  LEU  49          1HD2      LEU  49  -6.836  16.229  -1.322
  396   2HD2  LEU  49          2HD2      LEU  49  -7.015  14.639  -2.064
  397   3HD2  LEU  49          3HD2      LEU  49  -8.425  15.466  -1.404
  398    H    THR  50           H        THR  50  -8.909  17.736  -4.852
  399    HA   THR  50           HA       THR  50  -8.732  20.522  -5.798
  400    HB   THR  50           HB       THR  50 -11.377  20.051  -5.899
  401    HG1  THR  50           1HG      THR  50 -11.672  17.929  -6.680
  402   1HG2  THR  50          1HG2      THR  50 -10.319  20.846  -7.831
  403   2HG2  THR  50          2HG2      THR  50 -11.042  19.305  -8.292
  404   3HG2  THR  50          3HG2      THR  50  -9.310  19.407  -7.972
  405    H    ASN  51           H        ASN  51  -9.050  22.096  -4.372
  406    HA   ASN  51           HA       ASN  51 -10.663  21.553  -1.970
  407   1HB   ASN  51          2HB       ASN  51  -8.059  21.643  -1.672
  408   2HB   ASN  51          1HB       ASN  51  -8.291  23.374  -1.850
  409   1HD2  ASN  51          1HD2      ASN  51 -10.167  20.844  -0.219
  410   2HD2  ASN  51          2HD2      ASN  51 -10.172  21.609   1.330
  411    H    LEU  52           H        LEU  52 -12.353  22.632  -3.212
  412    HA   LEU  52           HA       LEU  52 -11.847  25.465  -3.691
  413   1HB   LEU  52          2HB       LEU  52 -13.818  23.500  -4.711
  414   2HB   LEU  52          1HB       LEU  52 -14.292  25.182  -4.646
  415    HG   LEU  52           HG       LEU  52 -13.012  25.754  -6.410
  416   1HD1  LEU  52          1HD1      LEU  52 -10.763  24.634  -6.858
  417   2HD1  LEU  52          2HD1      LEU  52 -10.950  23.897  -5.266
  418   3HD1  LEU  52          3HD1      LEU  52 -10.888  25.653  -5.423
  419   1HD2  LEU  52          1HD2      LEU  52 -12.989  24.147  -8.068
  420   2HD2  LEU  52          2HD2      LEU  52 -14.228  23.553  -6.961
  421   3HD2  LEU  52          3HD2      LEU  52 -12.612  22.845  -6.939
  422    H    ARG  53           H        ARG  53 -12.300  26.873  -2.283
  423    HA   ARG  53           HA       ARG  53 -14.091  26.326  -0.085
  424   1HB   ARG  53          2HB       ARG  53 -12.242  28.614  -0.700
  425   2HB   ARG  53          1HB       ARG  53 -13.307  28.598   0.693
  426   1HG   ARG  53          2HG       ARG  53 -11.262  26.465   0.146
  427   2HG   ARG  53          1HG       ARG  53 -10.944  27.896   1.127
  428   1HD   ARG  53          2HD       ARG  53 -12.412  27.229   2.799
  429   2HD   ARG  53          1HD       ARG  53 -13.290  26.138   1.727
  430    HE   ARG  53           HE       ARG  53 -11.782  24.493   2.230
  431   1HH1  ARG  53          1HH1      ARG  53 -10.453  27.569   3.206
  432   2HH1  ARG  53          2HH1      ARG  53  -9.090  26.866   4.012
  433   1HH2  ARG  53          1HH2      ARG  53  -9.991  23.567   3.292
  434   2HH2  ARG  53          2HH2      ARG  53  -8.829  24.596   4.059
  435    H    GLY  54           H        GLY  54 -14.861  27.039  -3.043
  436   1HA   GLY  54          2HA       GLY  54 -16.777  27.986  -3.952
  437   2HA   GLY  54          1HA       GLY  54 -17.243  28.486  -2.333
  438    H    ILE  55           H        ILE  55 -15.575  30.122  -1.448
  439    HA   ILE  55           HA       ILE  55 -15.403  32.296  -3.395
  440    HB   ILE  55           HB       ILE  55 -14.877  33.644  -1.208
  441   1HG1  ILE  55          2HG1      ILE  55 -16.261  31.177  -0.147
  442   2HG1  ILE  55          1HG1      ILE  55 -14.718  31.843   0.369
  443   1HG2  ILE  55          1HG2      ILE  55 -17.052  33.385  -2.786
  444   2HG2  ILE  55          2HG2      ILE  55 -16.952  34.487  -1.413
  445   3HG2  ILE  55          3HG2      ILE  55 -17.725  32.914  -1.225
  446   1HD1  ILE  55          1HD1      ILE  55 -17.454  32.561   1.121
  447   2HD1  ILE  55          2HD1      ILE  55 -16.355  33.918   0.873
  448   3HD1  ILE  55          3HD1      ILE  55 -15.954  32.660   2.042
  449    H    GLY  56           H        GLY  56 -13.661  29.961  -1.724
  450   1HA   GLY  56          2HA       GLY  56 -11.124  31.371  -2.316
  451   2HA   GLY  56          1HA       GLY  56 -11.319  30.312  -0.928
  452    H    GLN  57           H        GLN  57 -12.112  30.052  -4.395
  453    HA   GLN  57           HA       GLN  57 -11.810  27.357  -4.729
  454   1HB   GLN  57          2HB       GLN  57 -12.680  28.627  -6.526
  455   2HB   GLN  57          1HB       GLN  57 -11.255  29.651  -6.600
  456   1HG   GLN  57          2HG       GLN  57 -10.139  28.225  -7.917
  457   2HG   GLN  57          1HG       GLN  57 -10.751  26.803  -7.077
  458   1HE2  GLN  57          1HE2      GLN  57 -11.843  29.398  -9.227
  459   2HE2  GLN  57          2HE2      GLN  57 -12.902  28.409 -10.169
  460    H    SER  58           H        SER  58 -10.112  26.507  -3.518
  461    HA   SER  58           HA       SER  58  -7.401  27.100  -4.505
  462   1HB   SER  58          2HB       SER  58  -8.178  27.449  -1.973
  463   2HB   SER  58          1HB       SER  58  -7.779  25.734  -1.886
  464    HG   SER  58           HG       SER  58  -5.983  27.081  -1.405
  465    H    ASN  59           H        ASN  59  -5.892  25.119  -3.931
  466    HA   ASN  59           HA       ASN  59  -7.197  22.726  -5.052
  467   1HB   ASN  59          2HB       ASN  59  -4.247  23.395  -5.111
  468   2HB   ASN  59          1HB       ASN  59  -5.060  22.096  -5.978
  469   1HD2  ASN  59          1HD2      ASN  59  -5.149  22.517  -8.052
  470   2HD2  ASN  59          2HD2      ASN  59  -5.468  24.054  -8.771
  471    H    ASN  60           H        ASN  60  -6.975  20.755  -4.017
  472    HA   ASN  60           HA       ASN  60  -6.015  20.911  -1.276
  473   1HB   ASN  60          2HB       ASN  60  -8.098  19.475  -2.580
  474   2HB   ASN  60          1HB       ASN  60  -7.001  18.301  -1.873
  475   1HD2  ASN  60          1HD2      ASN  60  -9.323  18.168  -0.812
  476   2HD2  ASN  60          2HD2      ASN  60  -9.426  18.957   0.722
  477    HA   PRO  61           HA       PRO  61  -2.433  18.392  -1.950
  478   1HB   PRO  61          2HB       PRO  61  -1.909  17.682   0.542
  479   2HB   PRO  61          1HB       PRO  61  -1.976  19.399   0.119
  480   1HG   PRO  61          2HG       PRO  61  -4.005  17.714   1.525
  481   2HG   PRO  61          1HG       PRO  61  -3.546  19.400   1.823
  482   1HD   PRO  61          2HD       PRO  61  -5.756  18.512   0.304
  483   2HD   PRO  61          1HD       PRO  61  -5.098  20.162   0.350
  484    H    LYS  62           H        LYS  62  -3.075  16.576  -3.188
  485    HA   LYS  62           HA       LYS  62  -4.641  14.466  -2.252
  486   1HB   LYS  62          2HB       LYS  62  -2.977  15.018  -4.531
  487   2HB   LYS  62          1HB       LYS  62  -2.931  13.333  -4.081
  488   1HG   LYS  62          2HG       LYS  62  -5.543  13.629  -3.986
  489   2HG   LYS  62          1HG       LYS  62  -5.206  15.005  -5.033
  490   1HD   LYS  62          2HD       LYS  62  -4.313  13.637  -6.723
  491   2HD   LYS  62          1HD       LYS  62  -4.132  12.265  -5.627
  492   1HE   LYS  62          2HE       LYS  62  -6.343  11.694  -5.751
  493   2HE   LYS  62          1HE       LYS  62  -6.862  13.349  -6.074
  494   1HZ   LYS  62          1HZ       LYS  62  -5.577  11.476  -7.985
  495   2HZ   LYS  62          2HZ       LYS  62  -5.861  13.110  -8.315
  496   3HZ   LYS  62          3HZ       LYS  62  -7.162  12.065  -8.042
  497    H    GLN  63           H        GLN  63  -3.936  12.269  -2.257
  498    HA   GLN  63           HA       GLN  63  -1.770  11.884  -0.375
  499   1HB   GLN  63          2HB       GLN  63  -3.261   9.518  -1.264
  500   2HB   GLN  63          1HB       GLN  63  -2.900  10.078   0.360
  501   1HG   GLN  63          2HG       GLN  63  -5.152  10.307   0.399
  502   2HG   GLN  63          1HG       GLN  63  -4.737  11.886  -0.257
  503   1HE2  GLN  63          1HE2      GLN  63  -7.027   9.818  -0.520
  504   2HE2  GLN  63          2HE2      GLN  63  -7.329   9.795  -2.221
  505    H    SER  64           H        SER  64   0.033  11.008  -0.859
  506    HA   SER  64           HA       SER  64   1.472  10.929  -3.012
  507   1HB   SER  64          2HB       SER  64   1.509   8.340  -1.548
  508   2HB   SER  64          1HB       SER  64   2.851   9.356  -2.044
  509    HG   SER  64           HG       SER  64   1.056   9.760   0.109
  510    H    SER  65           H        SER  65   2.257   9.313  -4.473
  511    HA   SER  65           HA       SER  65   0.136   7.546  -5.520
  512   1HB   SER  65          2HB       SER  65   1.320   9.642  -6.851
  513   2HB   SER  65          1HB       SER  65   2.292   8.273  -7.389
  514    HG   SER  65           HG       SER  65   0.655   8.171  -8.763
  515    H    LYS  66           H        LYS  66   3.325   7.752  -4.274
  516    HA   LYS  66           HA       LYS  66   5.017   6.018  -5.181
  517   1HB   LYS  66          2HB       LYS  66   5.297   6.874  -2.961
  518   2HB   LYS  66          1HB       LYS  66   3.935   5.939  -2.366
  519   1HG   LYS  66          2HG       LYS  66   5.949   4.244  -3.570
  520   2HG   LYS  66          1HG       LYS  66   6.612   5.233  -2.265
  521   1HD   LYS  66          2HD       LYS  66   5.298   4.245  -0.668
  522   2HD   LYS  66          1HD       LYS  66   4.011   3.858  -1.811
  523   1HE   LYS  66          2HE       LYS  66   4.819   1.808  -2.102
  524   2HE   LYS  66          1HE       LYS  66   6.404   2.450  -2.529
  525   1HZ   LYS  66          1HZ       LYS  66   5.933   0.952  -0.373
  526   2HZ   LYS  66          2HZ       LYS  66   5.773   2.496   0.298
  527   3HZ   LYS  66          3HZ       LYS  66   7.208   2.058  -0.485
  528    H    TYR  67           H        TYR  67   5.046   4.097  -6.131
  529    HA   TYR  67           HA       TYR  67   2.781   2.404  -6.168
  530   1HB   TYR  67          2HB       TYR  67   5.603   1.977  -7.142
  531   2HB   TYR  67          1HB       TYR  67   4.300   0.818  -7.390
  532    HD1  TYR  67           1HD      TYR  67   5.232   4.363  -8.066
  533    HD2  TYR  67           2HD      TYR  67   2.924   0.991  -9.245
  534    HE1  TYR  67           1HE      TYR  67   4.565   5.544 -10.117
  535    HE2  TYR  67           2HE      TYR  67   2.250   2.159 -11.297
  536    HH   TYR  67           HH       TYR  67   3.688   4.499 -12.638
  537    H    LEU  68           H        LEU  68   2.265   0.649  -5.080
  538    HA   LEU  68           HA       LEU  68   4.039  -0.211  -2.898
  539   1HB   LEU  68          2HB       LEU  68   1.600   0.578  -2.521
  540   2HB   LEU  68          1HB       LEU  68   1.144  -0.968  -3.210
  541    HG   LEU  68           HG       LEU  68   2.384  -2.126  -1.425
  542   1HD1  LEU  68          1HD1      LEU  68   3.056   0.679  -0.648
  543   2HD1  LEU  68          2HD1      LEU  68   4.098  -0.739  -0.744
  544   3HD1  LEU  68          3HD1      LEU  68   2.947  -0.579   0.582
  545   1HD2  LEU  68          1HD2      LEU  68  -0.003  -1.638  -1.167
  546   2HD2  LEU  68          2HD2      LEU  68   0.397  -0.099  -0.404
  547   3HD2  LEU  68          3HD2      LEU  68   0.838  -1.615   0.383
  548    H    THR  69           H        THR  69   4.875  -2.200  -2.889
  549    HA   THR  69           HA       THR  69   4.145  -3.963  -5.122
  550    HB   THR  69           HB       THR  69   6.463  -4.992  -4.484
  551    HG1  THR  69           1HG      THR  69   7.853  -3.396  -3.622
  552   1HG2  THR  69          1HG2      THR  69   6.268  -2.297  -5.807
  553   2HG2  THR  69          2HG2      THR  69   6.088  -3.868  -6.592
  554   3HG2  THR  69          3HG2      THR  69   7.644  -3.398  -5.907
  555    H    TRP  70           H        TRP  70   3.298  -5.868  -4.760
  556    HA   TRP  70           HA       TRP  70   3.678  -7.207  -2.204
  557   1HB   TRP  70          2HB       TRP  70   1.411  -5.808  -2.499
  558   2HB   TRP  70          1HB       TRP  70   0.924  -7.281  -3.323
  559    HD1  TRP  70           HD       TRP  70   3.242  -8.179  -0.591
  560    HE1  TRP  70           1HE      TRP  70   1.928  -9.038   1.455
  561    HE3  TRP  70           3HE      TRP  70  -1.470  -6.697  -1.933
  562    HZ2  TRP  70           2HZ      TRP  70  -0.701  -9.077   2.379
  563    HZ3  TRP  70           3HZ      TRP  70  -3.333  -7.194  -0.401
  564    HH2  TRP  70           HH       TRP  70  -2.950  -8.367   1.709
  565    H    ARG  71           H        ARG  71   4.078  -9.318  -2.502
  566    HA   ARG  71           HA       ARG  71   3.087 -10.662  -4.886
  567   1HB   ARG  71          2HB       ARG  71   5.881 -11.334  -4.509
  568   2HB   ARG  71          1HB       ARG  71   5.036 -10.856  -5.971
  569   1HG   ARG  71          2HG       ARG  71   5.735  -8.731  -4.014
  570   2HG   ARG  71          1HG       ARG  71   7.026  -9.439  -4.978
  571   1HD   ARG  71          2HD       ARG  71   5.640  -8.963  -7.012
  572   2HD   ARG  71          1HD       ARG  71   4.551  -8.051  -5.971
  573    HE   ARG  71           HE       ARG  71   6.113  -6.369  -5.832
  574   1HH1  ARG  71          1HH1      ARG  71   7.550  -9.178  -7.333
  575   2HH1  ARG  71          2HH1      ARG  71   8.981  -8.336  -7.820
  576   1HH2  ARG  71          1HH2      ARG  71   8.000  -5.267  -6.473
  577   2HH2  ARG  71          2HH2      ARG  71   9.238  -6.120  -7.332
  578    H    ASP  72           H        ASP  72   2.680 -12.793  -4.547
  579    HA   ASP  72           HA       ASP  72   2.928 -13.747  -1.841
  580   1HB   ASP  72          2HB       ASP  72   1.719 -15.723  -2.640
  581   2HB   ASP  72          1HB       ASP  72   0.911 -14.253  -3.165
  582    H    LYS  73           H        LYS  73   3.833 -15.966  -1.436
  583    HA   LYS  73           HA       LYS  73   6.511 -16.104  -1.806
  584   1HB   LYS  73          2HB       LYS  73   4.863 -17.622  -0.448
  585   2HB   LYS  73          1HB       LYS  73   4.994 -18.680  -1.846
  586   1HG   LYS  73          2HG       LYS  73   7.204 -19.154  -1.452
  587   2HG   LYS  73          1HG       LYS  73   7.479 -17.652  -0.568
  588   1HD   LYS  73          2HD       LYS  73   5.511 -19.212   0.807
  589   2HD   LYS  73          1HD       LYS  73   6.925 -20.216   0.480
  590   1HE   LYS  73          2HE       LYS  73   8.191 -19.107   1.957
  591   2HE   LYS  73          1HE       LYS  73   7.594 -17.536   1.426
  592   1HZ   LYS  73          1HZ       LYS  73   6.135 -17.460   3.089
  593   2HZ   LYS  73          2HZ       LYS  73   7.015 -18.723   3.791
  594   3HZ   LYS  73          3HZ       LYS  73   5.637 -19.062   2.871
  595    H    GLU  74           H        GLU  74   4.103 -16.932  -4.166
  596    HA   GLU  74           HA       GLU  74   5.802 -18.470  -5.854
  597   1HB   GLU  74          2HB       GLU  74   3.073 -17.691  -5.809
  598   2HB   GLU  74          1HB       GLU  74   3.733 -17.176  -7.354
  599   1HG   GLU  74          2HG       GLU  74   4.176 -19.954  -6.334
  600   2HG   GLU  74          1HG       GLU  74   2.691 -19.510  -7.175
  601    H    ASN  75           H        ASN  75   6.052 -15.322  -4.994
  602    HA   ASN  75           HA       ASN  75   7.401 -13.656  -5.748
  603   1HB   ASN  75          2HB       ASN  75   8.579 -15.693  -6.930
  604   2HB   ASN  75          1HB       ASN  75   7.859 -15.001  -8.380
  605   1HD2  ASN  75          1HD2      ASN  75   8.707 -13.185  -9.250
  606   2HD2  ASN  75          2HD2      ASN  75  10.112 -12.385  -8.639
  607    H    ASN  76           H        ASN  76   4.657 -13.447  -6.011
  608    HA   ASN  76           HA       ASN  76   4.364 -11.309  -7.754
  609   1HB   ASN  76          2HB       ASN  76   2.873 -12.435  -9.521
  610   2HB   ASN  76          1HB       ASN  76   4.616 -12.618  -9.682
  611   1HD2  ASN  76          1HD2      ASN  76   1.688 -14.200  -8.548
  612   2HD2  ASN  76          2HD2      ASN  76   2.261 -15.817  -8.753
  613    H    SER  77           H        SER  77   2.295 -10.389  -7.780
  614    HA   SER  77           HA       SER  77  -0.044 -11.673  -6.887
  615   1HB   SER  77          2HB       SER  77   1.495 -10.147  -4.824
  616   2HB   SER  77          1HB       SER  77  -0.246 -10.317  -4.718
  617    HG   SER  77           HG       SER  77   0.209 -12.658  -4.929
  618    H    GLY  78           H        GLY  78   1.449  -8.463  -6.403
  619   1HA   GLY  78          2HA       GLY  78  -0.058  -7.207  -8.449
  620   2HA   GLY  78          1HA       GLY  78  -0.842  -6.960  -6.898
  621    H    LEU  79           H        LEU  79   0.768  -5.255  -8.917
  622    HA   LEU  79           HA       LEU  79   2.143  -3.708  -6.862
  623   1HB   LEU  79          2HB       LEU  79   4.014  -4.895  -7.611
  624   2HB   LEU  79          1HB       LEU  79   3.456  -4.917  -9.272
  625    HG   LEU  79           HG       LEU  79   4.032  -2.589  -9.560
  626   1HD1  LEU  79          1HD1      LEU  79   5.415  -1.633  -7.507
  627   2HD1  LEU  79          2HD1      LEU  79   4.311  -2.677  -6.611
  628   3HD1  LEU  79          3HD1      LEU  79   3.672  -1.407  -7.655
  629   1HD2  LEU  79          1HD2      LEU  79   5.927  -3.695 -10.115
  630   2HD2  LEU  79          2HD2      LEU  79   6.036  -4.517  -8.559
  631   3HD2  LEU  79          3HD2      LEU  79   6.554  -2.837  -8.708
  632    H    ILE  80           H        ILE  80   1.357  -1.693  -7.030
  633    HA   ILE  80           HA       ILE  80   1.214  -0.378  -9.603
  634    HB   ILE  80           HB       ILE  80  -1.192   0.265  -9.300
  635   1HG1  ILE  80          2HG1      ILE  80  -1.532  -2.196  -7.649
  636   2HG1  ILE  80          1HG1      ILE  80  -1.050  -0.707  -6.847
  637   1HG2  ILE  80          1HG2      ILE  80  -0.790  -2.685  -9.731
  638   2HG2  ILE  80          2HG2      ILE  80  -0.346  -1.454 -10.915
  639   3HG2  ILE  80          3HG2      ILE  80  -2.032  -1.649 -10.436
  640   1HD1  ILE  80          1HD1      ILE  80  -3.516  -1.217  -6.905
  641   2HD1  ILE  80          2HD1      ILE  80  -3.452  -0.873  -8.633
  642   3HD1  ILE  80          3HD1      ILE  80  -3.034   0.383  -7.467
  643    H    LYS  81           H        LYS  81  -0.175   1.832  -9.137
  644    HA   LYS  81           HA       LYS  81   1.236   3.061  -6.884
  645   1HB   LYS  81          2HB       LYS  81   0.806   5.191  -7.997
  646   2HB   LYS  81          1HB       LYS  81   1.612   4.063  -9.076
  647   1HG   LYS  81          2HG       LYS  81  -0.950   3.549  -9.703
  648   2HG   LYS  81          1HG       LYS  81  -1.079   5.245  -9.232
  649   1HD   LYS  81          2HD       LYS  81   0.923   4.183 -11.222
  650   2HD   LYS  81          1HD       LYS  81  -0.636   4.885 -11.663
  651   1HE   LYS  81          2HE       LYS  81   1.212   6.424  -9.899
  652   2HE   LYS  81          1HE       LYS  81   1.537   6.354 -11.630
  653   1HZ   LYS  81          1HZ       LYS  81  -0.461   7.416 -12.119
  654   2HZ   LYS  81          2HZ       LYS  81   0.113   8.260 -10.771
  655   3HZ   LYS  81          3HZ       LYS  81  -1.122   7.120 -10.590
  656    HA   PRO  82           HA       PRO  82  -2.924   3.292  -5.086
  657   1HB   PRO  82          2HB       PRO  82  -1.875   3.009  -2.493
  658   2HB   PRO  82          1HB       PRO  82  -2.556   1.725  -3.489
  659   1HG   PRO  82          2HG       PRO  82   0.121   1.955  -2.685
  660   2HG   PRO  82          1HG       PRO  82  -0.508   0.870  -3.935
  661   1HD   PRO  82          2HD       PRO  82   0.820   3.523  -4.218
  662   2HD   PRO  82          1HD       PRO  82   0.917   2.096  -5.268
  663    H    PHE  83           H        PHE  83  -3.299   4.401  -2.650
  664    HA   PHE  83           HA       PHE  83  -2.271   7.132  -2.983
  665   1HB   PHE  83          2HB       PHE  83  -4.978   6.073  -2.413
  666   2HB   PHE  83          1HB       PHE  83  -4.501   7.495  -1.491
  667    HD1  PHE  83           1HD      PHE  83  -2.827   8.862  -3.514
  668    HD2  PHE  83           2HD      PHE  83  -6.594   6.928  -3.862
  669    HE1  PHE  83           1HE      PHE  83  -3.382  10.306  -5.434
  670    HE2  PHE  83           2HE      PHE  83  -7.161   8.360  -5.782
  671    HZ   PHE  83           HZ       PHE  83  -5.553  10.054  -6.570
  672    H    VAL  84           H        VAL  84  -0.948   7.754  -1.435
  673    HA   VAL  84           HA       VAL  84  -1.090   6.456   1.175
  674    HB   VAL  84           HB       VAL  84   1.250   7.911  -0.016
  675   1HG1  VAL  84          1HG1      VAL  84   1.673   5.778   1.910
  676   2HG1  VAL  84          2HG1      VAL  84   0.850   7.211   2.530
  677   3HG1  VAL  84          3HG1      VAL  84   2.437   7.363   1.759
  678   1HG2  VAL  84          1HG2      VAL  84   0.233   5.270  -0.643
  679   2HG2  VAL  84          2HG2      VAL  84   1.907   5.249  -0.088
  680   3HG2  VAL  84          3HG2      VAL  84   1.449   6.241  -1.471
  681    H    ILE  85           H        ILE  85  -2.073   7.699   2.641
  682    HA   ILE  85           HA       ILE  85  -1.503  10.581   2.620
  683    HB   ILE  85           HB       ILE  85  -3.891  10.067   4.035
  684   1HG1  ILE  85          2HG1      ILE  85  -4.024   8.956   1.234
  685   2HG1  ILE  85          1HG1      ILE  85  -4.016   7.978   2.693
  686   1HG2  ILE  85          1HG2      ILE  85  -3.720  12.176   3.135
  687   2HG2  ILE  85          2HG2      ILE  85  -4.811  11.419   1.975
  688   3HG2  ILE  85          3HG2      ILE  85  -3.097  11.585   1.596
  689   1HD1  ILE  85          1HD1      ILE  85  -6.122   8.808   3.366
  690   2HD1  ILE  85          2HD1      ILE  85  -6.260   8.391   1.658
  691   3HD1  ILE  85          3HD1      ILE  85  -6.086  10.077   2.143
  692    HA   PRO  86           HA       PRO  86  -0.171   9.813   6.774
  693   1HB   PRO  86          2HB       PRO  86  -0.030  12.310   7.722
  694   2HB   PRO  86          1HB       PRO  86   1.042  11.759   6.429
  695   1HG   PRO  86          2HG       PRO  86  -1.419  13.443   6.262
  696   2HG   PRO  86          1HG       PRO  86   0.104  13.593   5.370
  697   1HD   PRO  86          2HD       PRO  86  -2.207  12.407   4.395
  698   2HD   PRO  86          1HD       PRO  86  -0.575  12.128   3.763
  699    H    ASN  87           H        ASN  87  -2.871   9.180   6.562
  700    HA   ASN  87           HA       ASN  87  -3.837  10.171   9.131
  701   1HB   ASN  87          2HB       ASN  87  -6.182  10.261   8.098
  702   2HB   ASN  87          1HB       ASN  87  -5.074  11.575   7.721
  703   1HD2  ASN  87          1HD2      ASN  87  -5.305  12.193   5.709
  704   2HD2  ASN  87          2HD2      ASN  87  -5.552  11.164   4.344
  705    H    LEU  88           H        LEU  88  -3.026   7.525   7.418
  706    HA   LEU  88           HA       LEU  88  -3.376   5.296   7.747
  707   1HB   LEU  88          2HB       LEU  88  -3.613   6.280  10.181
  708   2HB   LEU  88          1HB       LEU  88  -5.292   5.832   9.967
  709    HG   LEU  88           HG       LEU  88  -4.518   3.494   9.456
  710   1HD1  LEU  88          1HD1      LEU  88  -2.358   3.201   9.045
  711   2HD1  LEU  88          2HD1      LEU  88  -2.070   3.436  10.767
  712   3HD1  LEU  88          3HD1      LEU  88  -1.951   4.802   9.659
  713   1HD2  LEU  88          1HD2      LEU  88  -3.634   4.407  12.177
  714   2HD2  LEU  88          2HD2      LEU  88  -4.387   2.881  11.720
  715   3HD2  LEU  88          3HD2      LEU  88  -5.331   4.372  11.702
  716    HA   PRO  89           HA       PRO  89  -7.489   5.554   5.651
  717   1HB   PRO  89          2HB       PRO  89  -6.254   4.300   3.356
  718   2HB   PRO  89          1HB       PRO  89  -6.950   5.916   3.485
  719   1HG   PRO  89          2HG       PRO  89  -4.281   5.446   3.152
  720   2HG   PRO  89          1HG       PRO  89  -4.933   6.886   3.950
  721   1HD   PRO  89          2HD       PRO  89  -3.818   4.386   5.168
  722   2HD   PRO  89          1HD       PRO  89  -3.562   6.081   5.636
  723    H    VAL  90           H        VAL  90  -6.081   3.346   7.299
  724    HA   VAL  90           HA       VAL  90  -6.692   1.248   7.958
  725    HB   VAL  90           HB       VAL  90  -8.573   1.244   5.621
  726   1HG1  VAL  90          1HG1      VAL  90  -8.796  -0.899   6.255
  727   2HG1  VAL  90          2HG1      VAL  90  -9.721  -0.244   7.607
  728   3HG1  VAL  90          3HG1      VAL  90  -8.011  -0.617   7.809
  729   1HG2  VAL  90          1HG2      VAL  90  -8.656   2.728   8.115
  730   2HG2  VAL  90          2HG2      VAL  90 -10.072   1.696   7.902
  731   3HG2  VAL  90          3HG2      VAL  90  -9.658   2.889   6.670
  732    H    ASN  91           H        ASN  91  -5.075   2.027   5.277
  733    HA   ASN  91           HA       ASN  91  -3.891   0.951   3.658
  734   1HB   ASN  91          2HB       ASN  91  -2.687  -1.121   4.532
  735   2HB   ASN  91          1HB       ASN  91  -2.437   0.377   5.415
  736   1HD2  ASN  91          1HD2      ASN  91  -3.224  -2.845   5.645
  737   2HD2  ASN  91          2HD2      ASN  91  -3.834  -2.860   7.259
  738    H    LEU  92           H        LEU  92  -5.696   0.553   2.284
  739    HA   LEU  92           HA       LEU  92  -6.475  -2.290   2.170
  740   1HB   LEU  92          2HB       LEU  92  -8.322  -1.206   0.589
  741   2HB   LEU  92          1HB       LEU  92  -8.551  -1.389   2.320
  742    HG   LEU  92           HG       LEU  92  -7.333   1.162   1.468
  743   1HD1  LEU  92          1HD1      LEU  92 -10.041   0.271   0.577
  744   2HD1  LEU  92          2HD1      LEU  92  -8.822   1.198  -0.295
  745   3HD1  LEU  92          3HD1      LEU  92  -9.758   1.962   0.989
  746   1HD2  LEU  92          1HD2      LEU  92  -7.861   0.846   3.772
  747   2HD2  LEU  92          2HD2      LEU  92  -9.498   0.317   3.384
  748   3HD2  LEU  92          3HD2      LEU  92  -9.028   1.995   3.115
  749    H    TRP  93           H        TRP  93  -6.775  -3.165   0.005
  750    HA   TRP  93           HA       TRP  93  -4.820  -2.001  -1.844
  751   1HB   TRP  93          2HB       TRP  93  -5.292  -4.650  -0.958
  752   2HB   TRP  93          1HB       TRP  93  -5.678  -4.586  -2.675
  753    HD1  TRP  93           HD       TRP  93  -3.702  -4.391  -4.358
  754    HE1  TRP  93           1HE      TRP  93  -1.142  -4.392  -4.111
  755    HE3  TRP  93           3HE      TRP  93  -3.372  -3.833   0.711
  756    HZ2  TRP  93           2HZ      TRP  93   0.752  -4.173  -2.061
  757    HZ3  TRP  93           3HZ      TRP  93  -1.137  -3.731   1.740
  758    HH2  TRP  93           HH       TRP  93   0.885  -3.901   0.381
  759    H    GLY  94           H        GLY  94  -5.448  -2.948  -4.211
  760   1HA   GLY  94          2HA       GLY  94  -8.089  -1.760  -4.738
  761   2HA   GLY  94          1HA       GLY  94  -6.754  -1.801  -5.877
  762    H    ARG  95           H        ARG  95  -9.375  -2.698  -6.471
  763    HA   ARG  95           HA       ARG  95  -9.694  -5.463  -6.125
  764   1HB   ARG  95          2HB       ARG  95 -10.881  -4.726  -8.621
  765   2HB   ARG  95          1HB       ARG  95 -11.643  -5.151  -7.106
  766   1HG   ARG  95          2HG       ARG  95 -10.887  -2.529  -6.711
  767   2HG   ARG  95          1HG       ARG  95 -11.379  -2.572  -8.401
  768   1HD   ARG  95          2HD       ARG  95 -12.980  -3.271  -5.959
  769   2HD   ARG  95          1HD       ARG  95 -13.335  -2.075  -7.201
  770    HE   ARG  95           HE       ARG  95 -14.026  -4.833  -7.240
  771   1HH1  ARG  95          1HH1      ARG  95 -13.106  -2.170  -9.301
  772   2HH1  ARG  95          2HH1      ARG  95 -13.889  -2.819 -10.701
  773   1HH2  ARG  95          1HH2      ARG  95 -15.056  -5.689  -9.084
  774   2HH2  ARG  95          2HH2      ARG  95 -14.995  -4.816 -10.579
  775    H    ASP  96           H        ASP  96  -7.840  -3.678  -8.472
  776    HA   ASP  96           HA       ASP  96  -7.574  -5.704 -10.399
  777   1HB   ASP  96          2HB       ASP  96  -6.375  -3.120  -9.844
  778   2HB   ASP  96          1HB       ASP  96  -5.187  -4.259 -10.474
  779    H    LEU  97           H        LEU  97  -5.576  -4.946  -7.558
  780    HA   LEU  97           HA       LEU  97  -3.685  -7.013  -8.156
  781   1HB   LEU  97          2HB       LEU  97  -4.032  -5.717  -5.463
  782   2HB   LEU  97          1HB       LEU  97  -2.605  -6.482  -6.114
  783    HG   LEU  97           HG       LEU  97  -3.396  -3.719  -6.220
  784   1HD1  LEU  97          1HD1      LEU  97  -1.097  -5.224  -5.977
  785   2HD1  LEU  97          2HD1      LEU  97  -1.196  -3.466  -6.078
  786   3HD1  LEU  97          3HD1      LEU  97  -0.908  -4.418  -7.533
  787   1HD2  LEU  97          1HD2      LEU  97  -2.471  -3.559  -8.692
  788   2HD2  LEU  97          2HD2      LEU  97  -4.194  -3.702  -8.353
  789   3HD2  LEU  97          3HD2      LEU  97  -3.268  -5.123  -8.836
  790    H    LEU  98           H        LEU  98  -6.172  -6.656  -5.624
  791    HA   LEU  98           HA       LEU  98  -5.836  -9.232  -4.567
  792   1HB   LEU  98          2HB       LEU  98  -8.480  -7.798  -4.540
  793   2HB   LEU  98          1HB       LEU  98  -7.785  -8.849  -3.321
  794    HG   LEU  98           HG       LEU  98  -7.294  -5.957  -3.825
  795   1HD1  LEU  98          1HD1      LEU  98  -7.921  -5.720  -1.699
  796   2HD1  LEU  98          2HD1      LEU  98  -6.996  -7.121  -1.162
  797   3HD1  LEU  98          3HD1      LEU  98  -8.587  -7.341  -1.893
  798   1HD2  LEU  98          1HD2      LEU  98  -5.244  -6.500  -2.163
  799   2HD2  LEU  98          2HD2      LEU  98  -5.069  -6.297  -3.905
  800   3HD2  LEU  98          3HD2      LEU  98  -5.189  -7.913  -3.213
  801    H    SER  99           H        SER  99  -7.512  -8.086  -7.375
  802    HA   SER  99           HA       SER  99  -9.205 -10.308  -7.816
  803   1HB   SER  99          2HB       SER  99  -9.705  -8.414  -9.124
  804   2HB   SER  99          1HB       SER  99  -8.025  -8.211  -9.625
  805    HG   SER  99           HG       SER  99  -8.222  -9.954 -10.974
  806    H    GLN 100           H        GLN 100  -5.977  -9.479  -9.020
  807    HA   GLN 100           HA       GLN 100  -5.570 -11.910 -10.425
  808   1HB   GLN 100          2HB       GLN 100  -3.877  -9.640  -9.522
  809   2HB   GLN 100          1HB       GLN 100  -3.071 -11.112 -10.041
  810   1HG   GLN 100          2HG       GLN 100  -3.561 -10.775 -12.205
  811   2HG   GLN 100          1HG       GLN 100  -5.164 -10.130 -11.852
  812   1HE2  GLN 100          1HE2      GLN 100  -1.867  -9.150 -10.976
  813   2HE2  GLN 100          2HE2      GLN 100  -2.012  -7.526 -11.553
  814    H    MET 101           H        MET 101  -4.415 -10.767  -7.257
  815    HA   MET 101           HA       MET 101  -2.810 -12.787  -6.457
  816   1HB   MET 101          2HB       MET 101  -4.635 -10.946  -5.043
  817   2HB   MET 101          1HB       MET 101  -4.094 -12.346  -4.125
  818   1HG   MET 101          2HG       MET 101  -1.738 -11.680  -4.887
  819   2HG   MET 101          1HG       MET 101  -2.468 -10.130  -5.306
  820   1HE   MET 101          1HE       MET 101  -2.004  -8.133  -3.166
  821   2HE   MET 101          2HE       MET 101  -3.465  -8.464  -2.233
  822   3HE   MET 101          3HE       MET 101  -3.481  -8.625  -3.992
  823    H    LYS 102           H        LYS 102  -6.298 -12.794  -5.599
  824    HA   LYS 102           HA       LYS 102  -6.615 -15.519  -6.350
  825   1HB   LYS 102          2HB       LYS 102  -5.204 -15.716  -4.273
  826   2HB   LYS 102          1HB       LYS 102  -6.553 -15.037  -3.372
  827   1HG   LYS 102          2HG       LYS 102  -7.816 -17.035  -4.645
  828   2HG   LYS 102          1HG       LYS 102  -6.198 -17.726  -4.520
  829   1HD   LYS 102          2HD       LYS 102  -6.571 -16.689  -2.018
  830   2HD   LYS 102          1HD       LYS 102  -8.199 -17.223  -2.441
  831   1HE   LYS 102          2HE       LYS 102  -7.182 -19.433  -3.092
  832   2HE   LYS 102          1HE       LYS 102  -5.678 -18.867  -2.367
  833   1HZ   LYS 102          1HZ       LYS 102  -7.241 -18.415  -0.342
  834   2HZ   LYS 102          2HZ       LYS 102  -6.615 -19.961  -0.616
  835   3HZ   LYS 102          3HZ       LYS 102  -8.204 -19.600  -1.072
  836    H    ILE 103           H        ILE 103  -8.060 -13.125  -6.812
  837    HA   ILE 103           HA       ILE 103 -10.546 -13.676  -5.313
  838    HB   ILE 103           HB       ILE 103  -9.502 -11.135  -6.512
  839   1HG1  ILE 103          2HG1      ILE 103 -10.672 -11.823  -3.816
  840   2HG1  ILE 103          1HG1      ILE 103  -8.960 -11.621  -4.175
  841   1HG2  ILE 103          1HG2      ILE 103 -12.365 -11.781  -5.853
  842   2HG2  ILE 103          2HG2      ILE 103 -11.711 -11.202  -7.384
  843   3HG2  ILE 103          3HG2      ILE 103 -11.748 -10.134  -5.980
  844   1HD1  ILE 103          1HD1      ILE 103  -9.594  -9.612  -3.191
  845   2HD1  ILE 103          2HD1      ILE 103 -11.114  -9.549  -4.084
  846   3HD1  ILE 103          3HD1      ILE 103  -9.588  -9.264  -4.919
  847    H    MET 104           H        MET 104  -9.113 -13.220  -8.480
  848    HA   MET 104           HA       MET 104 -11.360 -13.123 -10.088
  849   1HB   MET 104          2HB       MET 104  -9.989 -13.837 -11.888
  850   2HB   MET 104          1HB       MET 104  -8.941 -12.934 -10.806
  851   1HG   MET 104          2HG       MET 104  -9.119 -15.915 -10.620
  852   2HG   MET 104          1HG       MET 104  -8.099 -15.140 -11.829
  853   1HE   MET 104          1HE       MET 104  -5.398 -14.092 -10.924
  854   2HE   MET 104          2HE       MET 104  -6.059 -15.615 -11.518
  855   3HE   MET 104          3HE       MET 104  -5.057 -15.595 -10.068
  856    H    MET 105           H        MET 105 -11.911 -15.044 -11.673
  857    HA   MET 105           HA       MET 105 -13.154 -17.041 -10.055
  858   1HB   MET 105          2HB       MET 105 -13.748 -15.967 -12.463
  859   2HB   MET 105          1HB       MET 105 -12.999 -17.470 -12.980
  860   1HG   MET 105          2HG       MET 105 -15.298 -17.908 -12.836
  861   2HG   MET 105          1HG       MET 105 -14.577 -18.654 -11.412
  862   1HE   MET 105          1HE       MET 105 -15.834 -17.696  -8.642
  863   2HE   MET 105          2HE       MET 105 -15.905 -18.958  -9.872
  864   3HE   MET 105          3HE       MET 105 -17.363 -18.067  -9.438
  865    H    ALA 106           H        ALA 106 -11.079 -17.792  -9.104
  866    HA   ALA 106           HA       ALA 106  -9.484 -19.516 -10.836
  867   1HB   ALA 106          1HB       ALA 106  -9.084 -18.181  -8.261
  868   2HB   ALA 106          2HB       ALA 106  -7.919 -18.604  -9.514
  869   3HB   ALA 106          3HB       ALA 106  -8.428 -19.818  -8.339
  870    H    SER 107           H        SER 107  -9.457 -21.706 -10.742
  871    HA   SER 107           HA       SER 107 -10.176 -23.824 -10.329
  872   1HB   SER 107          2HB       SER 107 -10.143 -22.549  -7.645
  873   2HB   SER 107          1HB       SER 107 -11.007 -24.080  -7.789
  874    HG   SER 107           HG       SER 107  -8.366 -23.710  -8.739
  Start of MODEL    6
    1   1H    TRP   1          1HT       TRP   1   8.144 -14.851   8.456
    2   2H    TRP   1          2HT       TRP   1   8.475 -14.377   6.840
    3   3H    TRP   1          3HT       TRP   1   9.648 -15.252   7.737
    4    HA   TRP   1           HA       TRP   1   8.797 -16.873   6.465
    5   1HB   TRP   1          2HB       TRP   1   7.244 -16.664   9.038
    6   2HB   TRP   1          1HB       TRP   1   7.043 -18.044   7.963
    7    HD1  TRP   1           HD       TRP   1  10.174 -16.219   9.392
    8    HE1  TRP   1           1HE      TRP   1  11.793 -18.016  10.268
    9    HE3  TRP   1           3HE      TRP   1   7.421 -20.391   8.311
   10    HZ2  TRP   1           2HZ      TRP   1  11.892 -20.831  10.477
   11    HZ3  TRP   1           3HZ      TRP   1   8.349 -22.596   8.883
   12    HH2  TRP   1           HH       TRP   1  10.538 -22.811   9.942
   13    H    VAL   2           H        VAL   2   7.594 -17.155   4.711
   14    HA   VAL   2           HA       VAL   2   5.158 -15.582   4.387
   15    HB   VAL   2           HB       VAL   2   6.838 -15.515   2.591
   16   1HG1  VAL   2          1HG1      VAL   2   6.256 -18.141   1.488
   17   2HG1  VAL   2          2HG1      VAL   2   7.084 -18.227   3.044
   18   3HG1  VAL   2          3HG1      VAL   2   7.804 -17.323   1.711
   19   1HG2  VAL   2          1HG2      VAL   2   4.278 -16.871   1.747
   20   2HG2  VAL   2          2HG2      VAL   2   5.322 -15.878   0.729
   21   3HG2  VAL   2          3HG2      VAL   2   4.463 -15.149   2.085
   22    H    GLN   3           H        GLN   3   3.146 -16.434   4.069
   23    HA   GLN   3           HA       GLN   3   2.805 -19.306   3.817
   24   1HB   GLN   3          2HB       GLN   3   2.930 -18.545   6.322
   25   2HB   GLN   3          1HB       GLN   3   1.291 -17.975   6.033
   26   1HG   GLN   3          2HG       GLN   3   0.471 -20.115   5.680
   27   2HG   GLN   3          1HG       GLN   3   2.071 -20.778   5.346
   28   1HE2  GLN   3          1HE2      GLN   3   0.311 -19.136   7.956
   29   2HE2  GLN   3          2HE2      GLN   3   0.952 -20.109   9.231
   30    HA   PRO   4           HA       PRO   4  -0.588 -17.793   1.387
   31   1HB   PRO   4          2HB       PRO   4  -1.838 -20.118   0.873
   32   2HB   PRO   4          1HB       PRO   4  -0.273 -19.723   0.154
   33   1HG   PRO   4          2HG       PRO   4  -0.889 -21.461   2.514
   34   2HG   PRO   4          1HG       PRO   4   0.248 -21.745   1.182
   35   1HD   PRO   4          2HD       PRO   4   1.006 -20.822   3.637
   36   2HD   PRO   4          1HD       PRO   4   1.883 -20.450   2.140
   37    H    ILE   5           H        ILE   5  -2.906 -17.586   1.424
   38    HA   ILE   5           HA       ILE   5  -4.036 -18.044   4.105
   39    HB   ILE   5           HB       ILE   5  -3.901 -15.687   3.530
   40   1HG1  ILE   5          2HG1      ILE   5  -6.321 -15.092   3.733
   41   2HG1  ILE   5          1HG1      ILE   5  -6.721 -16.780   3.431
   42   1HG2  ILE   5          1HG2      ILE   5  -5.176 -14.773   1.633
   43   2HG2  ILE   5          2HG2      ILE   5  -5.554 -16.417   1.118
   44   3HG2  ILE   5          3HG2      ILE   5  -3.882 -15.854   1.118
   45   1HD1  ILE   5          1HD1      ILE   5  -4.943 -16.965   5.495
   46   2HD1  ILE   5          2HD1      ILE   5  -6.700 -16.978   5.647
   47   3HD1  ILE   5          3HD1      ILE   5  -5.807 -15.473   5.865
   48    H    THR   6           H        THR   6  -5.890 -19.165   4.352
   49    HA   THR   6           HA       THR   6  -6.982 -20.468   1.976
   50    HB   THR   6           HB       THR   6  -6.409 -22.002   3.710
   51    HG1  THR   6           1HG      THR   6  -8.468 -22.343   2.706
   52   1HG2  THR   6          1HG2      THR   6  -6.255 -20.761   5.681
   53   2HG2  THR   6          2HG2      THR   6  -7.606 -21.862   5.944
   54   3HG2  THR   6          3HG2      THR   6  -7.912 -20.172   5.543
   55    H    ALA   7           H        ALA   7  -9.031 -20.178   1.254
   56    HA   ALA   7           HA       ALA   7 -11.084 -19.236   0.975
   57   1HB   ALA   7          1HB       ALA   7 -11.037 -20.121   3.582
   58   2HB   ALA   7          2HB       ALA   7 -12.460 -19.564   2.703
   59   3HB   ALA   7          3HB       ALA   7 -11.568 -18.445   3.734
   60    H    GLN   8           H        GLN   8 -12.338 -17.098   2.291
   61    HA   GLN   8           HA       GLN   8 -10.561 -14.905   1.493
   62   1HB   GLN   8          2HB       GLN   8 -12.723 -15.058   0.328
   63   2HB   GLN   8          1HB       GLN   8 -13.562 -14.927   1.868
   64   1HG   GLN   8          2HG       GLN   8 -13.501 -12.821   0.572
   65   2HG   GLN   8          1HG       GLN   8 -12.787 -12.690   2.179
   66   1HE2  GLN   8          1HE2      GLN   8 -11.884 -13.373  -1.180
   67   2HE2  GLN   8          2HE2      GLN   8 -10.377 -12.529  -1.129
   68    H    LYS   9           H        LYS   9  -9.507 -13.975   3.063
   69    HA   LYS   9           HA       LYS   9 -10.916 -13.033   5.416
   70   1HB   LYS   9          2HB       LYS   9  -9.386 -15.406   5.525
   71   2HB   LYS   9          1HB       LYS   9  -8.415 -14.165   6.304
   72   1HG   LYS   9          2HG       LYS   9  -9.585 -14.789   8.118
   73   2HG   LYS   9          1HG       LYS   9 -10.787 -13.679   7.462
   74   1HD   LYS   9          2HD       LYS   9 -11.079 -16.260   6.240
   75   2HD   LYS   9          1HD       LYS   9 -11.082 -16.426   7.997
   76   1HE   LYS   9          2HE       LYS   9 -12.821 -14.535   6.416
   77   2HE   LYS   9          1HE       LYS   9 -13.340 -16.084   7.077
   78   1HZ   LYS   9          1HZ       LYS   9 -13.219 -15.298   9.233
   79   2HZ   LYS   9          2HZ       LYS   9 -13.818 -13.953   8.399
   80   3HZ   LYS   9          3HZ       LYS   9 -12.184 -14.019   8.836
   81    HA   PRO  10           HA       PRO  10  -8.190  -9.638   4.592
   82   1HB   PRO  10          2HB       PRO  10  -8.344  -8.318   6.956
   83   2HB   PRO  10          1HB       PRO  10  -9.663  -8.330   5.781
   84   1HG   PRO  10          2HG       PRO  10  -9.321  -9.968   8.262
   85   2HG   PRO  10          1HG       PRO  10 -10.775  -9.163   7.644
   86   1HD   PRO  10          2HD       PRO  10 -10.322 -11.817   7.330
   87   2HD   PRO  10          1HD       PRO  10 -11.229 -10.852   6.150
   88    H    SER  11           H        SER  11  -6.760 -11.961   5.149
   89    HA   SER  11           HA       SER  11  -4.442 -10.838   6.461
   90   1HB   SER  11          2HB       SER  11  -6.091 -12.254   8.090
   91   2HB   SER  11          1HB       SER  11  -5.055 -13.545   7.480
   92    HG   SER  11           HG       SER  11  -4.449 -11.408   9.135
   93    H    LEU  12           H        LEU  12  -2.834 -11.240   5.104
   94    HA   LEU  12           HA       LEU  12  -2.366 -13.906   4.116
   95   1HB   LEU  12          2HB       LEU  12  -3.907 -13.105   2.429
   96   2HB   LEU  12          1HB       LEU  12  -2.973 -11.636   2.225
   97    HG   LEU  12           HG       LEU  12  -1.229 -12.759   1.111
   98   1HD1  LEU  12          1HD1      LEU  12  -1.682 -15.409   0.889
   99   2HD1  LEU  12          2HD1      LEU  12  -2.274 -15.114   2.524
  100   3HD1  LEU  12          3HD1      LEU  12  -0.618 -14.684   2.093
  101   1HD2  LEU  12          1HD2      LEU  12  -3.860 -13.949   0.250
  102   2HD2  LEU  12          2HD2      LEU  12  -2.380 -13.973  -0.712
  103   3HD2  LEU  12          3HD2      LEU  12  -3.146 -12.436  -0.308
  104    H    THR  13           H        THR  13  -0.270 -14.223   4.393
  105    HA   THR  13           HA       THR  13   1.523 -11.950   4.605
  106    HB   THR  13           HB       THR  13   2.537 -14.735   4.816
  107    HG1  THR  13           1HG      THR  13   0.956 -13.592   6.865
  108   1HG2  THR  13          1HG2      THR  13   2.887 -12.274   6.506
  109   2HG2  THR  13          2HG2      THR  13   4.042 -12.937   5.350
  110   3HG2  THR  13          3HG2      THR  13   3.644 -13.835   6.815
  111    H    LEU  14           H        LEU  14   2.452 -11.158   2.888
  112    HA   LEU  14           HA       LEU  14   3.690 -12.946   0.936
  113   1HB   LEU  14          2HB       LEU  14   2.073 -10.544   0.111
  114   2HB   LEU  14          1HB       LEU  14   2.883 -11.679  -0.942
  115    HG   LEU  14           HG       LEU  14   0.451 -12.191   0.758
  116   1HD1  LEU  14          1HD1      LEU  14   0.919 -11.849  -2.179
  117   2HD1  LEU  14          2HD1      LEU  14  -0.245 -11.031  -1.135
  118   3HD1  LEU  14          3HD1      LEU  14  -0.485 -12.723  -1.566
  119   1HD2  LEU  14          1HD2      LEU  14   2.400 -14.057  -0.089
  120   2HD2  LEU  14          2HD2      LEU  14   0.967 -14.302  -1.084
  121   3HD2  LEU  14          3HD2      LEU  14   0.844 -14.370   0.675
  122    H    TRP  15           H        TRP  15   5.273 -11.730  -0.446
  123    HA   TRP  15           HA       TRP  15   6.601  -9.810   1.267
  124   1HB   TRP  15          2HB       TRP  15   8.584 -10.301   0.209
  125   2HB   TRP  15          1HB       TRP  15   7.728 -11.827   0.119
  126    HD1  TRP  15           HD       TRP  15   6.107 -10.145  -2.592
  127    HE1  TRP  15           1HE      TRP  15   7.332 -10.506  -4.818
  128    HE3  TRP  15           3HE      TRP  15  10.596 -11.840  -0.827
  129    HZ2  TRP  15           2HZ      TRP  15   9.828 -11.397  -5.729
  130    HZ3  TRP  15           3HZ      TRP  15  12.341 -12.430  -2.452
  131    HH2  TRP  15           HH       TRP  15  11.967 -12.217  -4.848
  132    H    LEU  16           H        LEU  16   7.406  -7.853   0.575
  133    HA   LEU  16           HA       LEU  16   6.171  -6.681  -1.796
  134   1HB   LEU  16          2HB       LEU  16   5.237  -6.246   0.800
  135   2HB   LEU  16          1HB       LEU  16   6.176  -4.820   0.412
  136    HG   LEU  16           HG       LEU  16   4.092  -5.798  -1.494
  137   1HD1  LEU  16          1HD1      LEU  16   3.398  -5.366   1.065
  138   2HD1  LEU  16          2HD1      LEU  16   2.351  -5.016  -0.309
  139   3HD1  LEU  16          3HD1      LEU  16   3.296  -3.724   0.430
  140   1HD2  LEU  16          1HD2      LEU  16   4.031  -3.497  -2.170
  141   2HD2  LEU  16          2HD2      LEU  16   5.711  -4.029  -2.146
  142   3HD2  LEU  16          3HD2      LEU  16   5.084  -3.032  -0.834
  143    H    ASP  17           H        ASP  17   7.528  -5.387  -2.906
  144    HA   ASP  17           HA       ASP  17   9.494  -4.414  -3.534
  145   1HB   ASP  17          2HB       ASP  17   8.417  -2.894  -1.595
  146   2HB   ASP  17          1HB       ASP  17   9.945  -3.300  -0.820
  147    H    ASP  18           H        ASP  18   9.626  -7.086  -2.353
  148    HA   ASP  18           HA       ASP  18  11.293  -8.610  -2.029
  149   1HB   ASP  18          2HB       ASP  18  12.736  -6.376  -2.904
  150   2HB   ASP  18          1HB       ASP  18  13.537  -6.874  -1.417
  151    H    LYS  19           H        LYS  19   9.621  -7.742   0.011
  152    HA   LYS  19           HA       LYS  19  11.225  -8.457   2.313
  153   1HB   LYS  19          2HB       LYS  19   9.685  -5.855   2.270
  154   2HB   LYS  19          1HB       LYS  19  10.481  -6.549   3.675
  155   1HG   LYS  19          2HG       LYS  19  12.624  -6.439   2.275
  156   2HG   LYS  19          1HG       LYS  19  11.712  -5.357   1.220
  157   1HD   LYS  19          2HD       LYS  19  11.214  -3.949   3.227
  158   2HD   LYS  19          1HD       LYS  19  12.317  -4.972   4.148
  159   1HE   LYS  19          2HE       LYS  19  13.497  -4.021   1.669
  160   2HE   LYS  19          1HE       LYS  19  12.986  -2.700   2.720
  161   1HZ   LYS  19          1HZ       LYS  19  15.002  -3.056   3.622
  162   2HZ   LYS  19          2HZ       LYS  19  15.093  -4.663   3.102
  163   3HZ   LYS  19          3HZ       LYS  19  14.195  -4.271   4.480
  164    H    MET  20           H        MET  20  10.087 -10.153   2.994
  165    HA   MET  20           HA       MET  20   7.377 -10.609   2.557
  166   1HB   MET  20          2HB       MET  20   9.525 -11.942   3.851
  167   2HB   MET  20          1HB       MET  20   8.152 -11.946   4.947
  168   1HG   MET  20          2HG       MET  20   7.664 -13.833   3.808
  169   2HG   MET  20          1HG       MET  20   6.886 -12.679   2.728
  170   1HE   MET  20          1HE       MET  20   6.688 -13.750   0.852
  171   2HE   MET  20          2HE       MET  20   7.578 -15.265   0.713
  172   3HE   MET  20          3HE       MET  20   7.935 -13.930  -0.383
  173    H    PHE  21           H        PHE  21   5.589  -9.856   3.440
  174    HA   PHE  21           HA       PHE  21   5.521  -8.975   6.204
  175   1HB   PHE  21          2HB       PHE  21   6.016  -7.071   4.292
  176   2HB   PHE  21          1HB       PHE  21   4.260  -7.008   4.418
  177    HD1  PHE  21           1HD      PHE  21   3.259  -5.800   6.124
  178    HD2  PHE  21           2HD      PHE  21   7.352  -6.907   6.478
  179    HE1  PHE  21           1HE      PHE  21   3.454  -4.415   8.148
  180    HE2  PHE  21           2HE      PHE  21   7.554  -5.525   8.503
  181    HZ   PHE  21           HZ       PHE  21   5.604  -4.276   9.340
  182    H    THR  22           H        THR  22   3.102  -7.978   6.510
  183    HA   THR  22           HA       THR  22   1.292  -9.901   5.199
  184    HB   THR  22           HB       THR  22   0.351  -9.065   7.808
  185    HG1  THR  22           1HG      THR  22   2.841 -10.418   7.726
  186   1HG2  THR  22          1HG2      THR  22   0.576 -11.615   8.166
  187   2HG2  THR  22          2HG2      THR  22   0.897 -11.652   6.433
  188   3HG2  THR  22          3HG2      THR  22  -0.627 -10.997   7.034
  189    H    GLY  23           H        GLY  23  -0.842  -9.251   4.817
  190   1HA   GLY  23          2HA       GLY  23  -1.550  -6.462   5.327
  191   2HA   GLY  23          1HA       GLY  23  -1.455  -6.965   3.647
  192    H    LEU  24           H        LEU  24  -3.849  -5.998   4.573
  193    HA   LEU  24           HA       LEU  24  -5.483  -8.297   5.284
  194   1HB   LEU  24          2HB       LEU  24  -6.671  -5.621   4.804
  195   2HB   LEU  24          1HB       LEU  24  -7.058  -6.824   6.011
  196    HG   LEU  24           HG       LEU  24  -4.624  -6.112   6.893
  197   1HD1  LEU  24          1HD1      LEU  24  -5.599  -3.415   6.240
  198   2HD1  LEU  24          2HD1      LEU  24  -4.899  -4.316   4.896
  199   3HD1  LEU  24          3HD1      LEU  24  -3.951  -4.034   6.357
  200   1HD2  LEU  24          1HD2      LEU  24  -6.783  -4.257   7.682
  201   2HD2  LEU  24          2HD2      LEU  24  -5.744  -5.282   8.673
  202   3HD2  LEU  24          3HD2      LEU  24  -7.130  -5.978   7.835
  203    H    ILE  25           H        ILE  25  -6.404  -9.492   3.760
  204    HA   ILE  25           HA       ILE  25  -6.619  -8.480   1.042
  205    HB   ILE  25           HB       ILE  25  -7.493 -11.202   1.997
  206   1HG1  ILE  25          2HG1      ILE  25  -5.185 -10.904   2.714
  207   2HG1  ILE  25          1HG1      ILE  25  -5.235 -11.997   1.333
  208   1HG2  ILE  25          1HG2      ILE  25  -7.292 -11.858  -0.261
  209   2HG2  ILE  25          2HG2      ILE  25  -6.427 -10.383  -0.693
  210   3HG2  ILE  25          3HG2      ILE  25  -8.141 -10.312  -0.282
  211   1HD1  ILE  25          1HD1      ILE  25  -4.877  -9.623   0.091
  212   2HD1  ILE  25          2HD1      ILE  25  -3.573 -10.709   0.573
  213   3HD1  ILE  25          3HD1      ILE  25  -4.017  -9.349   1.605
  214    H    ASN  26           H        ASN  26  -8.342  -7.312   0.542
  215    HA   ASN  26           HA       ASN  26 -10.931  -8.034   1.737
  216   1HB   ASN  26          2HB       ASN  26 -11.517  -5.656   0.742
  217   2HB   ASN  26          1HB       ASN  26 -10.702  -5.811   2.294
  218   1HD2  ASN  26          1HD2      ASN  26  -8.888  -4.732   2.571
  219   2HD2  ASN  26          2HD2      ASN  26  -7.933  -4.017   1.320
  220    H    THR  27           H        THR  27 -12.348  -9.023   0.485
  221    HA   THR  27           HA       THR  27 -11.854  -9.372  -2.315
  222    HB   THR  27           HB       THR  27 -12.799 -11.146  -0.870
  223    HG1  THR  27           1HG      THR  27 -13.172 -11.072  -3.180
  224   1HG2  THR  27          1HG2      THR  27 -15.408  -9.670  -1.005
  225   2HG2  THR  27          2HG2      THR  27 -14.348  -9.618   0.405
  226   3HG2  THR  27          3HG2      THR  27 -15.031 -11.155  -0.130
  227    H    GLY  28           H        GLY  28 -12.930  -6.728  -0.850
  228   1HA   GLY  28          2HA       GLY  28 -14.623  -5.994  -3.132
  229   2HA   GLY  28          1HA       GLY  28 -15.193  -5.672  -1.499
  230    H    ALA  29           H        ALA  29 -12.099  -5.274  -3.217
  231    HA   ALA  29           HA       ALA  29 -11.628  -2.754  -1.889
  232   1HB   ALA  29          1HB       ALA  29  -9.687  -3.060  -3.850
  233   2HB   ALA  29          2HB       ALA  29 -10.055  -4.705  -3.334
  234   3HB   ALA  29          3HB       ALA  29  -9.551  -3.501  -2.148
  235    H    ASP  30           H        ASP  30 -11.182  -0.787  -3.032
  236    HA   ASP  30           HA       ASP  30 -12.441  -0.587  -5.678
  237   1HB   ASP  30          2HB       ASP  30 -14.165   0.464  -4.676
  238   2HB   ASP  30          1HB       ASP  30 -13.281   0.640  -3.167
  239    H    VAL  31           H        VAL  31 -10.351   0.926  -3.265
  240    HA   VAL  31           HA       VAL  31  -8.549   1.775  -5.380
  241    HB   VAL  31           HB       VAL  31 -10.027   3.714  -5.090
  242   1HG1  VAL  31          1HG1      VAL  31 -10.282   4.869  -3.045
  243   2HG1  VAL  31          2HG1      VAL  31  -9.021   3.916  -2.262
  244   3HG1  VAL  31          3HG1      VAL  31 -10.562   3.166  -2.681
  245   1HG2  VAL  31          1HG2      VAL  31  -7.980   5.191  -4.022
  246   2HG2  VAL  31          2HG2      VAL  31  -8.111   4.693  -5.709
  247   3HG2  VAL  31          3HG2      VAL  31  -7.151   3.739  -4.579
  248    H    THR  32           H        THR  32  -6.643   1.009  -4.777
  249    HA   THR  32           HA       THR  32  -6.039   0.157  -2.166
  250    HB   THR  32           HB       THR  32  -4.997  -0.834  -4.143
  251    HG1  THR  32           1HG      THR  32  -3.193   0.364  -2.324
  252   1HG2  THR  32          1HG2      THR  32  -4.559   0.871  -5.651
  253   2HG2  THR  32          2HG2      THR  32  -2.973   0.357  -5.077
  254   3HG2  THR  32          3HG2      THR  32  -3.700   1.833  -4.452
  255    H    ILE  33           H        ILE  33  -5.631   1.321  -0.502
  256    HA   ILE  33           HA       ILE  33  -3.991   3.750  -0.794
  257    HB   ILE  33           HB       ILE  33  -6.039   3.706   1.359
  258   1HG1  ILE  33          2HG1      ILE  33  -7.365   3.129  -0.606
  259   2HG1  ILE  33          1HG1      ILE  33  -7.697   4.786  -0.114
  260   1HG2  ILE  33          1HG2      ILE  33  -5.933   6.092   1.121
  261   2HG2  ILE  33          2HG2      ILE  33  -4.972   5.939  -0.351
  262   3HG2  ILE  33          3HG2      ILE  33  -4.295   5.444   1.200
  263   1HD1  ILE  33          1HD1      ILE  33  -5.604   4.940  -1.966
  264   2HD1  ILE  33          2HD1      ILE  33  -7.287   5.418  -2.188
  265   3HD1  ILE  33          3HD1      ILE  33  -6.766   3.792  -2.628
  266    H    ILE  34           H        ILE  34  -2.202   3.576   0.344
  267    HA   ILE  34           HA       ILE  34  -2.251   1.954   2.796
  268    HB   ILE  34           HB       ILE  34  -0.708   1.425   0.605
  269   1HG1  ILE  34          2HG1      ILE  34   0.819   0.289   2.467
  270   2HG1  ILE  34          1HG1      ILE  34  -0.507   0.791   3.509
  271   1HG2  ILE  34          1HG2      ILE  34   1.631   1.995   1.255
  272   2HG2  ILE  34          2HG2      ILE  34   0.972   3.080   2.481
  273   3HG2  ILE  34          3HG2      ILE  34   0.657   3.382   0.772
  274   1HD1  ILE  34          1HD1      ILE  34  -1.649  -0.995   2.891
  275   2HD1  ILE  34          2HD1      ILE  34  -0.336  -1.469   1.814
  276   3HD1  ILE  34          3HD1      ILE  34  -1.632  -0.431   1.221
  277    H    LYS  35           H        LYS  35  -1.952   3.074   4.579
  278    HA   LYS  35           HA       LYS  35  -1.685   5.832   4.635
  279   1HB   LYS  35          2HB       LYS  35  -1.103   5.462   7.097
  280   2HB   LYS  35          1HB       LYS  35  -2.628   4.795   6.537
  281   1HG   LYS  35          2HG       LYS  35  -0.358   2.958   6.341
  282   2HG   LYS  35          1HG       LYS  35  -0.789   3.438   7.980
  283   1HD   LYS  35          2HD       LYS  35  -3.237   2.920   6.990
  284   2HD   LYS  35          1HD       LYS  35  -2.279   1.801   6.025
  285   1HE   LYS  35          2HE       LYS  35  -3.262   0.999   8.282
  286   2HE   LYS  35          1HE       LYS  35  -1.603   0.577   7.865
  287   1HZ   LYS  35          1HZ       LYS  35  -0.757   1.962   9.445
  288   2HZ   LYS  35          2HZ       LYS  35  -2.213   1.554  10.202
  289   3HZ   LYS  35          3HZ       LYS  35  -2.065   3.033   9.397
  290    H    LEU  36           H        LEU  36   0.000   7.123   5.703
  291    HA   LEU  36           HA       LEU  36   2.468   6.762   4.363
  292   1HB   LEU  36          2HB       LEU  36   1.214   8.851   5.614
  293   2HB   LEU  36          1HB       LEU  36   2.536   8.507   6.717
  294    HG   LEU  36           HG       LEU  36   2.854   9.064   3.770
  295   1HD1  LEU  36          1HD1      LEU  36   2.183  11.097   4.746
  296   2HD1  LEU  36          2HD1      LEU  36   3.942  11.175   4.647
  297   3HD1  LEU  36          3HD1      LEU  36   3.161  10.818   6.187
  298   1HD2  LEU  36          1HD2      LEU  36   4.882   8.737   5.975
  299   2HD2  LEU  36          2HD2      LEU  36   5.242   9.249   4.327
  300   3HD2  LEU  36          3HD2      LEU  36   4.607   7.632   4.629
  301    H    GLU  37           H        GLU  37   1.305   5.784   7.491
  302    HA   GLU  37           HA       GLU  37   3.746   5.398   8.815
  303   1HB   GLU  37          2HB       GLU  37   1.144   3.887   9.110
  304   2HB   GLU  37          1HB       GLU  37   2.489   3.803  10.240
  305   1HG   GLU  37          2HG       GLU  37   2.251   6.176  10.720
  306   2HG   GLU  37          1HG       GLU  37   0.919   6.281   9.571
  307    H    ASP  38           H        ASP  38   2.261   3.632   6.256
  308    HA   ASP  38           HA       ASP  38   4.134   1.397   6.646
  309   1HB   ASP  38          2HB       ASP  38   1.381   1.580   5.672
  310   2HB   ASP  38          1HB       ASP  38   2.424   0.636   4.612
  311    H    TRP  39           H        TRP  39   4.681   4.096   5.435
  312    HA   TRP  39           HA       TRP  39   5.302   3.317   2.681
  313   1HB   TRP  39          2HB       TRP  39   4.646   5.410   2.236
  314   2HB   TRP  39          1HB       TRP  39   4.551   5.795   3.948
  315    HD1  TRP  39           HD       TRP  39   6.667   6.358   0.883
  316    HE1  TRP  39           1HE      TRP  39   8.639   7.899   1.457
  317    HE3  TRP  39           3HE      TRP  39   6.199   6.420   5.978
  318    HZ2  TRP  39           2HZ      TRP  39   9.829   9.018   3.764
  319    HZ3  TRP  39           3HZ      TRP  39   7.792   7.755   7.290
  320    HH2  TRP  39           HH       TRP  39   9.571   9.024   6.205
  321    HA   PRO  40           HA       PRO  40   9.603   2.619   3.315
  322   1HB   PRO  40          2HB       PRO  40  10.100   4.422   1.012
  323   2HB   PRO  40          1HB       PRO  40  10.590   2.743   1.253
  324   1HG   PRO  40          2HG       PRO  40   8.616   3.393  -0.429
  325   2HG   PRO  40          1HG       PRO  40   8.571   1.915   0.539
  326   1HD   PRO  40          2HD       PRO  40   7.080   4.461   0.907
  327   2HD   PRO  40          1HD       PRO  40   6.569   2.796   1.241
  328    HA   PRO  41           HA       PRO  41  10.489   6.549   5.439
  329   1HB   PRO  41          2HB       PRO  41  12.174   5.501   7.276
  330   2HB   PRO  41          1HB       PRO  41  10.418   5.400   7.433
  331   1HG   PRO  41          2HG       PRO  41  12.352   3.336   6.458
  332   2HG   PRO  41          1HG       PRO  41  10.964   3.142   7.543
  333   1HD   PRO  41          2HD       PRO  41  10.879   2.506   4.901
  334   2HD   PRO  41          1HD       PRO  41   9.458   3.069   5.806
  335    H    ASN  42           H        ASN  42  12.352   4.451   3.577
  336    HA   ASN  42           HA       ASN  42  14.951   5.436   3.952
  337   1HB   ASN  42          2HB       ASN  42  14.026   3.367   2.614
  338   2HB   ASN  42          1HB       ASN  42  14.007   4.504   1.272
  339   1HD2  ASN  42          1HD2      ASN  42  15.702   4.191   0.039
  340   2HD2  ASN  42          2HD2      ASN  42  17.317   3.894   0.576
  341    H    TRP  43           H        TRP  43  12.317   6.475   1.820
  342    HA   TRP  43           HA       TRP  43  13.870   8.919   1.271
  343   1HB   TRP  43          2HB       TRP  43  13.080   8.954  -1.015
  344   2HB   TRP  43          1HB       TRP  43  13.858   7.405  -0.701
  345    HD1  TRP  43           HD       TRP  43  10.243   8.825  -0.697
  346    HE1  TRP  43           1HE      TRP  43   8.677   6.996  -1.598
  347    HE3  TRP  43           3HE      TRP  43  13.653   5.075  -1.338
  348    HZ2  TRP  43           2HZ      TRP  43   8.856   4.329  -2.466
  349    HZ3  TRP  43           3HZ      TRP  43  12.869   2.912  -2.206
  350    HH2  TRP  43           HH       TRP  43  10.516   2.552  -2.756
  351    HA   PRO  44           HA       PRO  44  10.229  11.102   2.506
  352   1HB   PRO  44          2HB       PRO  44  10.852  13.344   0.785
  353   2HB   PRO  44          1HB       PRO  44  11.052  13.206   2.532
  354   1HG   PRO  44          2HG       PRO  44  13.142  13.345   0.774
  355   2HG   PRO  44          1HG       PRO  44  13.239  12.556   2.359
  356   1HD   PRO  44          2HD       PRO  44  12.876  11.335  -0.352
  357   2HD   PRO  44          1HD       PRO  44  13.859  10.775   1.018
  358    H    ILE  45           H        ILE  45   8.208  11.931   1.803
  359    HA   ILE  45           HA       ILE  45   7.584  11.528  -1.039
  360    HB   ILE  45           HB       ILE  45   5.364  10.559  -0.288
  361   1HG1  ILE  45          2HG1      ILE  45   6.152   9.286   2.067
  362   2HG1  ILE  45          1HG1      ILE  45   6.645  10.962   2.293
  363   1HG2  ILE  45          1HG2      ILE  45   6.889   9.115  -1.336
  364   2HG2  ILE  45          2HG2      ILE  45   6.403   8.288   0.142
  365   3HG2  ILE  45          3HG2      ILE  45   7.963   9.104   0.064
  366   1HD1  ILE  45          1HD1      ILE  45   4.573  11.472   2.820
  367   2HD1  ILE  45          2HD1      ILE  45   4.062   9.812   2.503
  368   3HD1  ILE  45          3HD1      ILE  45   4.058  11.000   1.201
  369    H    THR  46           H        THR  46   5.141  12.261  -1.382
  370    HA   THR  46           HA       THR  46   5.032  15.001  -0.404
  371    HB   THR  46           HB       THR  46   3.219  15.112  -2.244
  372    HG1  THR  46           1HG      THR  46   4.544  12.794  -3.162
  373   1HG2  THR  46          1HG2      THR  46   5.365  16.122  -2.613
  374   2HG2  THR  46          2HG2      THR  46   4.868  15.247  -4.059
  375   3HG2  THR  46          3HG2      THR  46   6.077  14.550  -2.979
  376    H    ASP  47           H        ASP  47   2.506  15.735  -0.393
  377    HA   ASP  47           HA       ASP  47   0.868  13.811   1.048
  378   1HB   ASP  47          2HB       ASP  47   2.082  14.904   2.855
  379   2HB   ASP  47          1HB       ASP  47   1.661  16.489   2.212
  380    H    THR  48           H        THR  48  -1.179  13.921   0.260
  381    HA   THR  48           HA       THR  48  -1.905  15.980  -1.579
  382    HB   THR  48           HB       THR  48  -2.682  13.793  -2.078
  383    HG1  THR  48           1HG      THR  48  -4.793  14.226  -2.417
  384   1HG2  THR  48          1HG2      THR  48  -3.355  12.313  -0.585
  385   2HG2  THR  48          2HG2      THR  48  -4.658  13.376  -0.057
  386   3HG2  THR  48          3HG2      THR  48  -3.062  13.508   0.679
  387    H    LEU  49           H        LEU  49  -2.519  17.993  -0.975
  388    HA   LEU  49           HA       LEU  49  -4.543  18.039   1.172
  389   1HB   LEU  49          2HB       LEU  49  -2.202  18.786   1.881
  390   2HB   LEU  49          1HB       LEU  49  -2.501  20.208   0.921
  391    HG   LEU  49           HG       LEU  49  -4.661  19.633   2.799
  392   1HD1  LEU  49          1HD1      LEU  49  -3.049  20.710   4.626
  393   2HD1  LEU  49          2HD1      LEU  49  -1.861  19.754   3.740
  394   3HD1  LEU  49          3HD1      LEU  49  -3.269  18.968   4.454
  395   1HD2  LEU  49          1HD2      LEU  49  -4.170  21.739   1.406
  396   2HD2  LEU  49          2HD2      LEU  49  -2.980  22.108   2.652
  397   3HD2  LEU  49          3HD2      LEU  49  -4.681  21.943   3.080
  398    H    THR  50           H        THR  50  -5.672  20.275   1.217
  399    HA   THR  50           HA       THR  50  -6.298  20.998  -1.567
  400    HB   THR  50           HB       THR  50  -8.145  21.374   0.782
  401    HG1  THR  50           1HG      THR  50  -8.113  19.150  -0.970
  402   1HG2  THR  50          1HG2      THR  50  -8.332  22.008  -1.972
  403   2HG2  THR  50          2HG2      THR  50  -9.535  22.228  -0.701
  404   3HG2  THR  50          3HG2      THR  50  -9.485  20.722  -1.618
  405    H    ASN  51           H        ASN  51  -6.126  23.088  -2.179
  406    HA   ASN  51           HA       ASN  51  -5.775  25.127  -0.102
  407   1HB   ASN  51          2HB       ASN  51  -3.672  24.200  -1.573
  408   2HB   ASN  51          1HB       ASN  51  -4.228  25.529  -2.582
  409   1HD2  ASN  51          1HD2      ASN  51  -2.060  26.341  -2.004
  410   2HD2  ASN  51          2HD2      ASN  51  -1.897  27.260  -0.551
  411    H    LEU  52           H        LEU  52  -8.010  25.552  -0.544
  412    HA   LEU  52           HA       LEU  52  -8.666  26.495  -3.201
  413   1HB   LEU  52          2HB       LEU  52 -10.118  25.544  -0.891
  414   2HB   LEU  52          1HB       LEU  52 -10.783  27.049  -1.468
  415    HG   LEU  52           HG       LEU  52 -12.057  25.681  -2.731
  416   1HD1  LEU  52          1HD1      LEU  52 -11.311  25.436  -4.937
  417   2HD1  LEU  52          2HD1      LEU  52  -9.619  25.385  -4.440
  418   3HD1  LEU  52          3HD1      LEU  52 -10.539  26.887  -4.296
  419   1HD2  LEU  52          1HD2      LEU  52 -11.740  23.554  -2.082
  420   2HD2  LEU  52          2HD2      LEU  52  -9.984  23.713  -2.062
  421   3HD2  LEU  52          3HD2      LEU  52 -10.829  23.434  -3.586
  422    H    ARG  53           H        ARG  53  -8.133  28.473  -3.768
  423    HA   ARG  53           HA       ARG  53  -7.770  30.541  -1.793
  424   1HB   ARG  53          2HB       ARG  53  -7.391  30.443  -4.766
  425   2HB   ARG  53          1HB       ARG  53  -7.262  31.943  -3.869
  426   1HG   ARG  53          2HG       ARG  53  -5.647  29.500  -3.203
  427   2HG   ARG  53          1HG       ARG  53  -5.106  30.731  -4.345
  428   1HD   ARG  53          2HD       ARG  53  -4.166  31.618  -2.488
  429   2HD   ARG  53          1HD       ARG  53  -5.775  32.307  -2.286
  430    HE   ARG  53           HE       ARG  53  -6.177  30.831  -0.540
  431   1HH1  ARG  53          1HH1      ARG  53  -3.097  30.134  -2.039
  432   2HH1  ARG  53          2HH1      ARG  53  -2.563  29.116  -0.745
  433   1HH2  ARG  53          1HH2      ARG  53  -5.472  29.490   1.153
  434   2HH2  ARG  53          2HH2      ARG  53  -3.909  28.746   1.063
  435    H    GLY  54           H        GLY  54 -10.499  29.323  -2.740
  436   1HA   GLY  54          2HA       GLY  54 -12.662  30.142  -2.710
  437   2HA   GLY  54          1HA       GLY  54 -12.001  31.739  -2.393
  438    H    ILE  55           H        ILE  55 -10.561  32.372  -4.384
  439    HA   ILE  55           HA       ILE  55 -12.297  32.249  -6.738
  440    HB   ILE  55           HB       ILE  55 -10.989  34.318  -7.455
  441   1HG1  ILE  55          2HG1      ILE  55 -10.151  34.143  -4.558
  442   2HG1  ILE  55          1HG1      ILE  55  -9.109  34.213  -5.970
  443   1HG2  ILE  55          1HG2      ILE  55 -12.421  35.126  -5.021
  444   2HG2  ILE  55          2HG2      ILE  55 -13.314  34.042  -6.087
  445   3HG2  ILE  55          3HG2      ILE  55 -12.696  35.573  -6.705
  446   1HD1  ILE  55          1HD1      ILE  55 -10.348  36.520  -6.303
  447   2HD1  ILE  55          2HD1      ILE  55  -8.943  36.354  -5.249
  448   3HD1  ILE  55          3HD1      ILE  55 -10.568  36.363  -4.561
  449    H    GLY  56           H        GLY  56  -9.333  31.375  -5.377
  450   1HA   GLY  56          2HA       GLY  56  -8.243  30.704  -8.047
  451   2HA   GLY  56          1HA       GLY  56  -7.241  31.064  -6.647
  452    H    GLN  57           H        GLN  57  -9.924  28.866  -7.480
  453    HA   GLN  57           HA       GLN  57  -9.575  26.917  -5.663
  454   1HB   GLN  57          2HB       GLN  57 -10.506  25.328  -7.316
  455   2HB   GLN  57          1HB       GLN  57 -11.389  26.847  -7.247
  456   1HG   GLN  57          2HG       GLN  57  -9.273  26.934  -9.213
  457   2HG   GLN  57          1HG       GLN  57 -10.386  25.598  -9.506
  458   1HE2  GLN  57          1HE2      GLN  57  -9.794  28.573 -10.459
  459   2HE2  GLN  57          2HE2      GLN  57 -11.391  29.161 -10.758
  460    H    SER  58           H        SER  58  -7.492  26.502  -5.034
  461    HA   SER  58           HA       SER  58  -5.810  25.109  -7.010
  462   1HB   SER  58          2HB       SER  58  -5.126  27.347  -5.617
  463   2HB   SER  58          1HB       SER  58  -4.515  26.086  -4.546
  464    HG   SER  58           HG       SER  58  -3.113  26.918  -6.346
  465    H    ASN  59           H        ASN  59  -4.401  23.414  -6.100
  466    HA   ASN  59           HA       ASN  59  -5.616  22.079  -3.778
  467   1HB   ASN  59          2HB       ASN  59  -4.478  20.560  -6.118
  468   2HB   ASN  59          1HB       ASN  59  -5.493  19.955  -4.810
  469   1HD2  ASN  59          1HD2      ASN  59  -7.522  19.622  -5.318
  470   2HD2  ASN  59          2HD2      ASN  59  -8.408  20.416  -6.571
  471    H    ASN  60           H        ASN  60  -4.230  21.676  -2.204
  472    HA   ASN  60           HA       ASN  60  -1.470  22.298  -2.488
  473   1HB   ASN  60          2HB       ASN  60  -3.322  21.748  -0.341
  474   2HB   ASN  60          1HB       ASN  60  -1.785  20.932  -0.080
  475   1HD2  ASN  60          1HD2      ASN  60  -1.282  22.254   1.657
  476   2HD2  ASN  60          2HD2      ASN  60  -0.795  23.898   1.451
  477    HA   PRO  61           HA       PRO  61   1.107  18.806  -3.004
  478   1HB   PRO  61          2HB       PRO  61   0.802  18.212  -0.069
  479   2HB   PRO  61          1HB       PRO  61   2.225  17.992  -1.098
  480   1HG   PRO  61          2HG       PRO  61   1.999  20.179   0.357
  481   2HG   PRO  61          1HG       PRO  61   2.560  20.295  -1.323
  482   1HD   PRO  61          2HD       PRO  61  -0.028  21.101  -0.143
  483   2HD   PRO  61          1HD       PRO  61   0.786  21.715  -1.593
  484    H    LYS  62           H        LYS  62   1.310  16.379  -2.560
  485    HA   LYS  62           HA       LYS  62  -1.238  14.954  -2.786
  486   1HB   LYS  62          2HB       LYS  62   1.223  14.783  -4.496
  487   2HB   LYS  62          1HB       LYS  62  -0.041  13.584  -4.512
  488   1HG   LYS  62          2HG       LYS  62  -1.569  15.004  -5.536
  489   2HG   LYS  62          1HG       LYS  62  -0.713  16.449  -4.989
  490   1HD   LYS  62          2HD       LYS  62  -0.215  16.373  -7.262
  491   2HD   LYS  62          1HD       LYS  62   1.196  15.618  -6.517
  492   1HE   LYS  62          2HE       LYS  62   0.814  13.681  -7.553
  493   2HE   LYS  62          1HE       LYS  62  -0.882  13.681  -7.077
  494   1HZ   LYS  62          1HZ       LYS  62  -1.522  14.569  -9.032
  495   2HZ   LYS  62          2HZ       LYS  62  -0.078  13.892  -9.593
  496   3HZ   LYS  62          3HZ       LYS  62  -0.143  15.534  -9.193
  497    H    GLN  63           H        GLN  63  -1.200  12.936  -1.802
  498    HA   GLN  63           HA       GLN  63   1.149  12.353  -0.288
  499   1HB   GLN  63          2HB       GLN  63  -1.591  11.615  -0.182
  500   2HB   GLN  63          1HB       GLN  63  -0.540  10.217   0.002
  501   1HG   GLN  63          2HG       GLN  63  -0.645  12.712   1.654
  502   2HG   GLN  63          1HG       GLN  63  -0.810  11.048   2.152
  503   1HE2  GLN  63          1HE2      GLN  63   0.944  13.146   3.169
  504   2HE2  GLN  63          2HE2      GLN  63   2.549  12.524   3.035
  505    H    SER  64           H        SER  64   2.184  10.395  -0.211
  506    HA   SER  64           HA       SER  64   3.602   9.769  -2.381
  507   1HB   SER  64          2HB       SER  64   3.748   8.888   0.093
  508   2HB   SER  64          1HB       SER  64   2.961   7.469  -0.594
  509    HG   SER  64           HG       SER  64   4.705   7.588  -2.230
  510    H    SER  65           H        SER  65   3.752   8.209  -3.904
  511    HA   SER  65           HA       SER  65   1.240   6.891  -4.681
  512   1HB   SER  65          2HB       SER  65   2.218   7.030  -7.041
  513   2HB   SER  65          1HB       SER  65   1.671   8.547  -6.325
  514    HG   SER  65           HG       SER  65   4.180   7.778  -7.080
  515    H    LYS  66           H        LYS  66   4.536   6.528  -3.887
  516    HA   LYS  66           HA       LYS  66   5.906   4.678  -4.905
  517   1HB   LYS  66          2HB       LYS  66   6.181   5.240  -2.553
  518   2HB   LYS  66          1HB       LYS  66   4.788   4.251  -2.133
  519   1HG   LYS  66          2HG       LYS  66   7.042   2.958  -3.573
  520   2HG   LYS  66          1HG       LYS  66   7.251   3.362  -1.868
  521   1HD   LYS  66          2HD       LYS  66   5.000   2.181  -1.513
  522   2HD   LYS  66          1HD       LYS  66   5.248   1.516  -3.129
  523   1HE   LYS  66          2HE       LYS  66   7.537   1.303  -1.282
  524   2HE   LYS  66          1HE       LYS  66   6.120   0.339  -0.865
  525   1HZ   LYS  66          1HZ       LYS  66   7.755  -0.816  -2.304
  526   2HZ   LYS  66          2HZ       LYS  66   7.417   0.296  -3.533
  527   3HZ   LYS  66          3HZ       LYS  66   6.202  -0.737  -2.972
  528    H    TYR  67           H        TYR  67   5.484   3.103  -6.307
  529    HA   TYR  67           HA       TYR  67   3.085   1.657  -6.402
  530   1HB   TYR  67          2HB       TYR  67   5.783   1.201  -7.646
  531   2HB   TYR  67          1HB       TYR  67   4.475   0.031  -7.838
  532    HD1  TYR  67           1HD      TYR  67   5.571   3.458  -8.631
  533    HD2  TYR  67           2HD      TYR  67   2.603   0.475  -9.232
  534    HE1  TYR  67           1HE      TYR  67   4.646   4.763 -10.496
  535    HE2  TYR  67           2HE      TYR  67   1.667   1.767 -11.093
  536    HH   TYR  67           HH       TYR  67   2.598   3.543 -12.758
  537    H    LEU  68           H        LEU  68   2.402   0.434  -4.829
  538    HA   LEU  68           HA       LEU  68   4.165  -1.019  -3.092
  539   1HB   LEU  68          2HB       LEU  68   1.707   0.012  -2.750
  540   2HB   LEU  68          1HB       LEU  68   1.264  -1.637  -3.153
  541    HG   LEU  68           HG       LEU  68   2.649  -2.455  -1.286
  542   1HD1  LEU  68          1HD1      LEU  68   3.420   0.382  -1.200
  543   2HD1  LEU  68          2HD1      LEU  68   4.325  -1.058  -0.735
  544   3HD1  LEU  68          3HD1      LEU  68   3.123  -0.378   0.364
  545   1HD2  LEU  68          1HD2      LEU  68   1.148  -1.867   0.448
  546   2HD2  LEU  68          2HD2      LEU  68   0.216  -1.852  -1.048
  547   3HD2  LEU  68          3HD2      LEU  68   0.746  -0.334  -0.325
  548    H    THR  69           H        THR  69   5.195  -2.728  -3.929
  549    HA   THR  69           HA       THR  69   3.782  -4.471  -5.794
  550    HB   THR  69           HB       THR  69   6.114  -5.598  -5.872
  551    HG1  THR  69           1HG      THR  69   7.782  -4.430  -5.094
  552   1HG2  THR  69          1HG2      THR  69   5.323  -3.013  -7.041
  553   2HG2  THR  69          2HG2      THR  69   5.831  -4.512  -7.820
  554   3HG2  THR  69          3HG2      THR  69   7.034  -3.429  -7.122
  555    H    TRP  70           H        TRP  70   2.453  -5.762  -4.649
  556    HA   TRP  70           HA       TRP  70   3.583  -7.287  -2.406
  557   1HB   TRP  70          2HB       TRP  70   1.362  -5.823  -2.280
  558   2HB   TRP  70          1HB       TRP  70   0.662  -7.275  -2.985
  559    HD1  TRP  70           HD       TRP  70   3.462  -7.983  -0.589
  560    HE1  TRP  70           1HE      TRP  70   2.497  -8.912   1.608
  561    HE3  TRP  70           3HE      TRP  70  -1.491  -6.994  -1.388
  562    HZ2  TRP  70           2HZ      TRP  70  -0.018  -9.182   2.842
  563    HZ3  TRP  70           3HZ      TRP  70  -3.112  -7.621   0.353
  564    HH2  TRP  70           HH       TRP  70  -2.388  -8.693   2.425
  565    H    ARG  71           H        ARG  71   4.195  -9.245  -2.942
  566    HA   ARG  71           HA       ARG  71   2.540 -10.782  -4.771
  567   1HB   ARG  71          2HB       ARG  71   5.534 -10.525  -4.976
  568   2HB   ARG  71          1HB       ARG  71   4.540 -11.603  -5.937
  569   1HG   ARG  71          2HG       ARG  71   4.058 -10.002  -7.390
  570   2HG   ARG  71          1HG       ARG  71   3.581  -8.893  -6.105
  571   1HD   ARG  71          2HD       ARG  71   6.369  -9.388  -7.134
  572   2HD   ARG  71          1HD       ARG  71   5.402  -7.932  -7.355
  573    HE   ARG  71           HE       ARG  71   5.573  -8.117  -4.666
  574   1HH1  ARG  71          1HH1      ARG  71   7.971  -8.245  -7.206
  575   2HH1  ARG  71          2HH1      ARG  71   9.232  -7.589  -6.216
  576   1HH2  ARG  71          1HH2      ARG  71   7.232  -7.260  -3.371
  577   2HH2  ARG  71          2HH2      ARG  71   8.811  -7.024  -4.045
  578    H    ASP  72           H        ASP  72   2.710 -13.067  -4.518
  579    HA   ASP  72           HA       ASP  72   3.328 -13.820  -1.809
  580   1HB   ASP  72          2HB       ASP  72   2.749 -16.017  -3.678
  581   2HB   ASP  72          1HB       ASP  72   1.985 -15.614  -2.150
  582    H    LYS  73           H        LYS  73   4.625 -15.782  -1.357
  583    HA   LYS  73           HA       LYS  73   7.254 -15.521  -1.894
  584   1HB   LYS  73          2HB       LYS  73   7.447 -18.014  -1.429
  585   2HB   LYS  73          1HB       LYS  73   6.631 -17.045  -0.209
  586   1HG   LYS  73          2HG       LYS  73   5.160 -18.758  -0.326
  587   2HG   LYS  73          1HG       LYS  73   4.500 -17.764  -1.628
  588   1HD   LYS  73          2HD       LYS  73   5.647 -19.070  -3.283
  589   2HD   LYS  73          1HD       LYS  73   6.515 -19.970  -2.038
  590   1HE   LYS  73          2HE       LYS  73   4.887 -21.488  -2.223
  591   2HE   LYS  73          1HE       LYS  73   3.885 -20.339  -1.337
  592   1HZ   LYS  73          1HZ       LYS  73   3.568 -19.404  -3.780
  593   2HZ   LYS  73          2HZ       LYS  73   2.581 -20.623  -3.145
  594   3HZ   LYS  73          3HZ       LYS  73   3.866 -21.025  -4.170
  595    H    GLU  74           H        GLU  74   4.898 -16.905  -4.049
  596    HA   GLU  74           HA       GLU  74   6.812 -18.186  -5.747
  597   1HB   GLU  74          2HB       GLU  74   4.286 -18.690  -5.503
  598   2HB   GLU  74          1HB       GLU  74   4.062 -17.354  -6.622
  599   1HG   GLU  74          2HG       GLU  74   4.052 -19.430  -7.828
  600   2HG   GLU  74          1HG       GLU  74   5.494 -18.508  -8.254
  601    H    ASN  75           H        ASN  75   6.538 -15.060  -5.096
  602    HA   ASN  75           HA       ASN  75   7.315 -13.180  -6.077
  603   1HB   ASN  75          2HB       ASN  75   9.013 -14.757  -7.073
  604   2HB   ASN  75          1HB       ASN  75   7.982 -14.859  -8.498
  605   1HD2  ASN  75          1HD2      ASN  75   9.681 -13.993  -9.742
  606   2HD2  ASN  75          2HD2      ASN  75  10.038 -12.303  -9.715
  607    H    ASN  76           H        ASN  76   4.584 -13.629  -6.176
  608    HA   ASN  76           HA       ASN  76   3.825 -11.824  -8.205
  609   1HB   ASN  76          2HB       ASN  76   2.782 -13.109  -9.852
  610   2HB   ASN  76          1HB       ASN  76   4.276 -13.983  -9.535
  611   1HD2  ASN  76          1HD2      ASN  76   3.804 -15.454  -7.387
  612   2HD2  ASN  76          2HD2      ASN  76   2.486 -16.540  -7.636
  613    H    SER  77           H        SER  77   1.755 -11.059  -8.017
  614    HA   SER  77           HA       SER  77  -0.434 -12.303  -6.892
  615   1HB   SER  77          2HB       SER  77   1.192 -12.124  -4.839
  616   2HB   SER  77          1HB       SER  77   0.618 -10.460  -4.791
  617    HG   SER  77           HG       SER  77  -0.952 -12.817  -4.657
  618    H    GLY  78           H        GLY  78   1.209  -9.130  -6.720
  619   1HA   GLY  78          2HA       GLY  78  -0.429  -7.788  -8.499
  620   2HA   GLY  78          1HA       GLY  78  -1.224  -7.661  -6.938
  621    H    LEU  79           H        LEU  79   0.237  -5.691  -8.794
  622    HA   LEU  79           HA       LEU  79   1.496  -4.238  -6.636
  623   1HB   LEU  79          2HB       LEU  79   3.648  -3.975  -7.683
  624   2HB   LEU  79          1HB       LEU  79   3.316  -5.677  -7.426
  625    HG   LEU  79           HG       LEU  79   2.419  -5.033 -10.042
  626   1HD1  LEU  79          1HD1      LEU  79   5.033  -4.541 -10.661
  627   2HD1  LEU  79          2HD1      LEU  79   4.800  -3.550  -9.221
  628   3HD1  LEU  79          3HD1      LEU  79   3.749  -3.331 -10.622
  629   1HD2  LEU  79          1HD2      LEU  79   4.979  -6.467  -9.509
  630   2HD2  LEU  79          2HD2      LEU  79   3.679  -6.860 -10.635
  631   3HD2  LEU  79          3HD2      LEU  79   3.468  -7.151  -8.909
  632    H    ILE  80           H        ILE  80   1.004  -2.145  -6.826
  633    HA   ILE  80           HA       ILE  80   1.078  -0.804  -9.373
  634    HB   ILE  80           HB       ILE  80  -1.211   0.048  -9.324
  635   1HG1  ILE  80          2HG1      ILE  80  -2.365  -2.033  -7.674
  636   2HG1  ILE  80          1HG1      ILE  80  -1.263  -1.025  -6.742
  637   1HG2  ILE  80          1HG2      ILE  80  -2.234  -1.821 -10.345
  638   2HG2  ILE  80          2HG2      ILE  80  -1.279  -2.955  -9.391
  639   3HG2  ILE  80          3HG2      ILE  80  -0.504  -1.986 -10.644
  640   1HD1  ILE  80          1HD1      ILE  80  -3.798  -0.418  -6.977
  641   2HD1  ILE  80          2HD1      ILE  80  -3.260   0.297  -8.497
  642   3HD1  ILE  80          3HD1      ILE  80  -2.559   0.836  -6.970
  643    H    LYS  81           H        LYS  81   0.086   1.555  -9.025
  644    HA   LYS  81           HA       LYS  81   1.514   2.609  -6.722
  645   1HB   LYS  81          2HB       LYS  81   1.014   4.831  -7.830
  646   2HB   LYS  81          1HB       LYS  81   2.052   3.728  -8.720
  647   1HG   LYS  81          2HG       LYS  81   0.290   3.140 -10.206
  648   2HG   LYS  81          1HG       LYS  81  -0.902   3.982  -9.215
  649   1HD   LYS  81          2HD       LYS  81   1.430   5.391 -10.492
  650   2HD   LYS  81          1HD       LYS  81  -0.118   5.179 -11.313
  651   1HE   LYS  81          2HE       LYS  81  -0.516   6.188  -8.645
  652   2HE   LYS  81          1HE       LYS  81   0.607   7.216  -9.533
  653   1HZ   LYS  81          1HZ       LYS  81  -0.983   7.860 -10.982
  654   2HZ   LYS  81          2HZ       LYS  81  -2.011   7.495  -9.688
  655   3HZ   LYS  81          3HZ       LYS  81  -1.803   6.380 -10.943
  656    HA   PRO  82           HA       PRO  82  -2.487   3.367  -4.774
  657   1HB   PRO  82          2HB       PRO  82  -1.600   2.897  -2.248
  658   2HB   PRO  82          1HB       PRO  82  -2.046   1.608  -3.367
  659   1HG   PRO  82          2HG       PRO  82   0.577   2.291  -2.348
  660   2HG   PRO  82          1HG       PRO  82   0.097   0.898  -3.326
  661   1HD   PRO  82          2HD       PRO  82   1.343   3.427  -4.166
  662   2HD   PRO  82          1HD       PRO  82   1.261   1.872  -5.017
  663    H    PHE  83           H        PHE  83  -2.968   4.651  -2.629
  664    HA   PHE  83           HA       PHE  83  -1.423   7.158  -2.794
  665   1HB   PHE  83          2HB       PHE  83  -4.259   6.609  -2.803
  666   2HB   PHE  83          1HB       PHE  83  -3.849   7.654  -1.447
  667    HD1  PHE  83           1HD      PHE  83  -2.494   9.757  -1.946
  668    HD2  PHE  83           2HD      PHE  83  -4.468   7.476  -4.948
  669    HE1  PHE  83           1HE      PHE  83  -2.421  11.693  -3.461
  670    HE2  PHE  83           2HE      PHE  83  -4.400   9.410  -6.469
  671    HZ   PHE  83           HZ       PHE  83  -3.373  11.523  -5.724
  672    H    VAL  84           H        VAL  84  -0.175   7.612  -1.068
  673    HA   VAL  84           HA       VAL  84  -0.849   6.349   1.487
  674    HB   VAL  84           HB       VAL  84   1.852   7.408   0.714
  675   1HG1  VAL  84          1HG1      VAL  84   2.658   6.410   2.556
  676   2HG1  VAL  84          2HG1      VAL  84   1.486   5.094   2.498
  677   3HG1  VAL  84          3HG1      VAL  84   1.004   6.679   3.104
  678   1HG2  VAL  84          1HG2      VAL  84   2.112   4.704   0.473
  679   2HG2  VAL  84          2HG2      VAL  84   1.966   5.838  -0.869
  680   3HG2  VAL  84          3HG2      VAL  84   0.538   4.998  -0.268
  681    H    ILE  85           H        ILE  85  -1.748   7.761   2.804
  682    HA   ILE  85           HA       ILE  85  -0.668  10.453   3.082
  683    HB   ILE  85           HB       ILE  85  -3.285  10.371   4.132
  684   1HG1  ILE  85          2HG1      ILE  85  -3.583   8.393   2.619
  685   2HG1  ILE  85          1HG1      ILE  85  -4.715   9.713   2.356
  686   1HG2  ILE  85          1HG2      ILE  85  -2.602  11.717   1.519
  687   2HG2  ILE  85          2HG2      ILE  85  -1.984  12.315   3.057
  688   3HG2  ILE  85          3HG2      ILE  85  -3.721  12.249   2.774
  689   1HD1  ILE  85          1HD1      ILE  85  -3.560   8.500   0.354
  690   2HD1  ILE  85          2HD1      ILE  85  -2.240   9.606   0.722
  691   3HD1  ILE  85          3HD1      ILE  85  -3.832  10.241   0.319
  692    HA   PRO  86           HA       PRO  86  -0.066   9.245   7.281
  693   1HB   PRO  86          2HB       PRO  86   0.359  11.625   8.430
  694   2HB   PRO  86          1HB       PRO  86   1.495  10.954   7.254
  695   1HG   PRO  86          2HG       PRO  86  -0.578  13.071   6.896
  696   2HG   PRO  86          1HG       PRO  86   1.054  12.971   6.214
  697   1HD   PRO  86          2HD       PRO  86  -1.283  12.290   4.879
  698   2HD   PRO  86          1HD       PRO  86   0.342  11.747   4.432
  699    H    ASN  87           H        ASN  87  -2.825   9.301   6.555
  700    HA   ASN  87           HA       ASN  87  -3.960  10.360   9.037
  701   1HB   ASN  87          2HB       ASN  87  -4.563  11.394   6.611
  702   2HB   ASN  87          1HB       ASN  87  -5.794  10.141   6.733
  703   1HD2  ASN  87          1HD2      ASN  87  -5.385  13.272   7.153
  704   2HD2  ASN  87          2HD2      ASN  87  -6.453  13.575   8.477
  705    H    LEU  88           H        LEU  88  -3.263   7.599   7.402
  706    HA   LEU  88           HA       LEU  88  -3.849   5.430   7.729
  707   1HB   LEU  88          2HB       LEU  88  -4.000   6.124  10.115
  708   2HB   LEU  88          1HB       LEU  88  -5.694   6.487   9.871
  709    HG   LEU  88           HG       LEU  88  -4.904   4.209  10.939
  710   1HD1  LEU  88          1HD1      LEU  88  -7.072   3.909   8.933
  711   2HD1  LEU  88          2HD1      LEU  88  -7.239   5.147  10.175
  712   3HD1  LEU  88          3HD1      LEU  88  -7.032   3.457  10.635
  713   1HD2  LEU  88          1HD2      LEU  88  -4.374   2.488   9.543
  714   2HD2  LEU  88          2HD2      LEU  88  -3.632   3.820   8.661
  715   3HD2  LEU  88          3HD2      LEU  88  -5.204   3.202   8.161
  716    HA   PRO  89           HA       PRO  89  -7.661   6.040   5.218
  717   1HB   PRO  89          2HB       PRO  89  -6.352   4.524   3.137
  718   2HB   PRO  89          1HB       PRO  89  -6.843   6.218   3.117
  719   1HG   PRO  89          2HG       PRO  89  -4.234   5.387   3.116
  720   2HG   PRO  89          1HG       PRO  89  -4.774   6.955   3.737
  721   1HD   PRO  89          2HD       PRO  89  -4.106   4.447   5.228
  722   2HD   PRO  89          1HD       PRO  89  -3.727   6.134   5.628
  723    H    VAL  90           H        VAL  90  -6.635   3.779   7.082
  724    HA   VAL  90           HA       VAL  90  -7.570   1.829   7.809
  725    HB   VAL  90           HB       VAL  90  -9.146   1.849   5.251
  726   1HG1  VAL  90          1HG1      VAL  90  -9.711  -0.219   5.873
  727   2HG1  VAL  90          2HG1      VAL  90 -10.591   0.524   7.209
  728   3HG1  VAL  90          3HG1      VAL  90  -8.934  -0.034   7.444
  729   1HG2  VAL  90          1HG2      VAL  90 -10.501   3.386   6.115
  730   2HG2  VAL  90          2HG2      VAL  90  -9.324   3.615   7.410
  731   3HG2  VAL  90          3HG2      VAL  90 -10.658   2.478   7.618
  732    H    ASN  91           H        ASN  91  -5.596   2.291   5.274
  733    HA   ASN  91           HA       ASN  91  -4.174   1.007   4.054
  734   1HB   ASN  91          2HB       ASN  91  -3.612   0.258   6.374
  735   2HB   ASN  91          1HB       ASN  91  -4.726  -1.088   6.164
  736   1HD2  ASN  91          1HD2      ASN  91  -1.579  -0.229   6.038
  737   2HD2  ASN  91          2HD2      ASN  91  -0.983  -1.441   4.963
  738    H    LEU  92           H        LEU  92  -6.156   1.024   2.545
  739    HA   LEU  92           HA       LEU  92  -7.307  -1.641   2.181
  740   1HB   LEU  92          2HB       LEU  92  -7.971   1.089   1.177
  741   2HB   LEU  92          1HB       LEU  92  -8.392  -0.278   0.170
  742    HG   LEU  92           HG       LEU  92 -10.275   0.412   1.566
  743   1HD1  LEU  92          1HD1      LEU  92 -10.978  -1.709   1.835
  744   2HD1  LEU  92          2HD1      LEU  92  -9.579  -2.160   2.809
  745   3HD1  LEU  92          3HD1      LEU  92  -9.448  -2.108   1.051
  746   1HD2  LEU  92          1HD2      LEU  92  -9.032  -0.622   4.032
  747   2HD2  LEU  92          2HD2      LEU  92 -10.200   0.679   3.806
  748   3HD2  LEU  92          3HD2      LEU  92  -8.490   0.966   3.490
  749    H    TRP  93           H        TRP  93  -7.342  -2.601   0.085
  750    HA   TRP  93           HA       TRP  93  -4.942  -1.966  -1.497
  751   1HB   TRP  93          2HB       TRP  93  -5.603  -4.374  -0.221
  752   2HB   TRP  93          1HB       TRP  93  -5.963  -4.649  -1.922
  753    HD1  TRP  93           HD       TRP  93  -3.950  -4.890  -3.567
  754    HE1  TRP  93           1HE      TRP  93  -1.399  -5.008  -3.259
  755    HE3  TRP  93           3HE      TRP  93  -3.663  -3.411   1.313
  756    HZ2  TRP  93           2HZ      TRP  93   0.482  -4.529  -1.215
  757    HZ3  TRP  93           3HZ      TRP  93  -1.445  -3.265   2.371
  758    HH2  TRP  93           HH       TRP  93   0.583  -3.815   1.133
  759    H    GLY  94           H        GLY  94  -5.233  -2.895  -3.805
  760   1HA   GLY  94          2HA       GLY  94  -7.793  -1.822  -4.743
  761   2HA   GLY  94          1HA       GLY  94  -6.322  -1.961  -5.685
  762    H    ARG  95           H        ARG  95  -9.260  -2.983  -5.823
  763    HA   ARG  95           HA       ARG  95  -9.441  -5.712  -5.658
  764   1HB   ARG  95          2HB       ARG  95 -11.088  -5.547  -7.556
  765   2HB   ARG  95          1HB       ARG  95 -11.382  -4.472  -6.196
  766   1HG   ARG  95          2HG       ARG  95  -9.769  -3.015  -7.944
  767   2HG   ARG  95          1HG       ARG  95 -10.944  -3.844  -8.967
  768   1HD   ARG  95          2HD       ARG  95 -11.511  -2.035  -6.626
  769   2HD   ARG  95          1HD       ARG  95 -11.849  -1.718  -8.324
  770    HE   ARG  95           HE       ARG  95 -13.453  -3.225  -6.509
  771   1HH1  ARG  95          1HH1      ARG  95 -12.544  -2.920  -9.865
  772   2HH1  ARG  95          2HH1      ARG  95 -14.003  -3.642 -10.455
  773   1HH2  ARG  95          1HH2      ARG  95 -15.370  -4.177  -7.282
  774   2HH2  ARG  95          2HH2      ARG  95 -15.609  -4.355  -8.988
  775    H    ASP  96           H        ASP  96  -7.620  -3.881  -7.980
  776    HA   ASP  96           HA       ASP  96  -7.406  -5.861  -9.982
  777   1HB   ASP  96          2HB       ASP  96  -5.970  -3.358  -9.286
  778   2HB   ASP  96          1HB       ASP  96  -5.098  -4.509 -10.295
  779    H    LEU  97           H        LEU  97  -5.474  -5.135  -7.114
  780    HA   LEU  97           HA       LEU  97  -3.564  -7.216  -7.668
  781   1HB   LEU  97          2HB       LEU  97  -3.966  -5.736  -5.081
  782   2HB   LEU  97          1HB       LEU  97  -2.546  -6.632  -5.576
  783    HG   LEU  97           HG       LEU  97  -2.581  -4.873  -7.567
  784   1HD1  LEU  97          1HD1      LEU  97  -4.145  -3.324  -7.290
  785   2HD1  LEU  97          2HD1      LEU  97  -3.171  -2.714  -5.951
  786   3HD1  LEU  97          3HD1      LEU  97  -4.487  -3.848  -5.641
  787   1HD2  LEU  97          1HD2      LEU  97  -1.566  -3.828  -4.973
  788   2HD2  LEU  97          2HD2      LEU  97  -0.779  -3.899  -6.551
  789   3HD2  LEU  97          3HD2      LEU  97  -0.932  -5.360  -5.574
  790    H    LEU  98           H        LEU  98  -6.567  -6.955  -5.938
  791    HA   LEU  98           HA       LEU  98  -6.134  -9.325  -4.365
  792   1HB   LEU  98          2HB       LEU  98  -8.593  -7.668  -4.924
  793   2HB   LEU  98          1HB       LEU  98  -8.639  -9.132  -3.961
  794    HG   LEU  98           HG       LEU  98  -8.482  -7.548  -2.312
  795   1HD1  LEU  98          1HD1      LEU  98  -6.422  -9.127  -2.405
  796   2HD1  LEU  98          2HD1      LEU  98  -6.437  -7.769  -1.278
  797   3HD1  LEU  98          3HD1      LEU  98  -5.542  -7.648  -2.793
  798   1HD2  LEU  98          1HD2      LEU  98  -8.088  -5.766  -4.190
  799   2HD2  LEU  98          2HD2      LEU  98  -6.416  -5.878  -3.645
  800   3HD2  LEU  98          3HD2      LEU  98  -7.685  -5.415  -2.511
  801    H    SER  99           H        SER  99  -7.896  -8.471  -7.305
  802    HA   SER  99           HA       SER  99  -9.065 -10.958  -7.832
  803   1HB   SER  99          2HB       SER  99  -8.396  -8.540  -9.415
  804   2HB   SER  99          1HB       SER  99  -8.619 -10.029 -10.333
  805    HG   SER  99           HG       SER  99 -10.478  -9.080  -8.414
  806    H    GLN 100           H        GLN 100  -5.949  -9.592  -8.799
  807    HA   GLN 100           HA       GLN 100  -5.055 -11.910 -10.195
  808   1HB   GLN 100          2HB       GLN 100  -3.650  -9.515  -9.040
  809   2HB   GLN 100          1HB       GLN 100  -2.785 -10.788  -9.887
  810   1HG   GLN 100          2HG       GLN 100  -3.620 -10.197 -11.924
  811   2HG   GLN 100          1HG       GLN 100  -5.106  -9.534 -11.246
  812   1HE2  GLN 100          1HE2      GLN 100  -1.624  -8.920 -10.900
  813   2HE2  GLN 100          2HE2      GLN 100  -1.732  -7.209 -11.114
  814    H    MET 101           H        MET 101  -4.547 -10.608  -6.944
  815    HA   MET 101           HA       MET 101  -2.668 -12.152  -5.819
  816   1HB   MET 101          2HB       MET 101  -4.918 -10.706  -4.875
  817   2HB   MET 101          1HB       MET 101  -4.895 -12.234  -4.017
  818   1HG   MET 101          2HG       MET 101  -2.726 -11.829  -3.162
  819   2HG   MET 101          1HG       MET 101  -2.489 -10.451  -4.236
  820   1HE   MET 101          1HE       MET 101  -3.377  -8.161  -3.933
  821   2HE   MET 101          2HE       MET 101  -2.086  -8.360  -2.748
  822   3HE   MET 101          3HE       MET 101  -3.577  -7.533  -2.297
  823    H    LYS 102           H        LYS 102  -6.082 -13.188  -5.747
  824    HA   LYS 102           HA       LYS 102  -5.607 -15.792  -6.670
  825   1HB   LYS 102          2HB       LYS 102  -4.397 -15.816  -4.409
  826   2HB   LYS 102          1HB       LYS 102  -5.997 -15.756  -3.684
  827   1HG   LYS 102          2HG       LYS 102  -6.486 -17.894  -4.245
  828   2HG   LYS 102          1HG       LYS 102  -5.535 -17.837  -5.731
  829   1HD   LYS 102          2HD       LYS 102  -4.162 -19.182  -4.523
  830   2HD   LYS 102          1HD       LYS 102  -3.549 -17.626  -3.955
  831   1HE   LYS 102          2HE       LYS 102  -4.060 -18.214  -1.877
  832   2HE   LYS 102          1HE       LYS 102  -5.762 -18.271  -2.331
  833   1HZ   LYS 102          1HZ       LYS 102  -3.884 -20.437  -1.917
  834   2HZ   LYS 102          2HZ       LYS 102  -4.897 -20.620  -3.259
  835   3HZ   LYS 102          3HZ       LYS 102  -5.565 -20.407  -1.720
  836    H    ILE 103           H        ILE 103  -7.556 -13.680  -6.930
  837    HA   ILE 103           HA       ILE 103  -9.947 -15.066  -5.883
  838    HB   ILE 103           HB       ILE 103  -9.819 -12.178  -6.731
  839   1HG1  ILE 103          2HG1      ILE 103  -8.367 -12.635  -4.761
  840   2HG1  ILE 103          1HG1      ILE 103  -9.733 -11.588  -4.382
  841   1HG2  ILE 103          1HG2      ILE 103 -12.035 -12.988  -6.882
  842   2HG2  ILE 103          2HG2      ILE 103 -11.937 -12.089  -5.368
  843   3HG2  ILE 103          3HG2      ILE 103 -11.898 -13.852  -5.350
  844   1HD1  ILE 103          1HD1      ILE 103  -9.241 -13.323  -2.672
  845   2HD1  ILE 103          2HD1      ILE 103  -9.695 -14.547  -3.858
  846   3HD1  ILE 103          3HD1      ILE 103 -10.887 -13.371  -3.304
  847    H    MET 104           H        MET 104  -9.280 -12.784  -8.546
  848    HA   MET 104           HA       MET 104 -11.266 -13.896 -10.230
  849   1HB   MET 104          2HB       MET 104 -10.441 -11.569 -10.420
  850   2HB   MET 104          1HB       MET 104  -8.893 -12.181 -10.987
  851   1HG   MET 104          2HG       MET 104 -10.499 -13.382 -12.752
  852   2HG   MET 104          1HG       MET 104 -11.482 -11.963 -12.388
  853   1HE   MET 104          1HE       MET 104  -7.372 -11.920 -12.493
  854   2HE   MET 104          2HE       MET 104  -7.295 -12.015 -14.252
  855   3HE   MET 104          3HE       MET 104  -8.074 -13.303 -13.331
  856    H    MET 105           H        MET 105 -11.165 -15.400 -11.821
  857    HA   MET 105           HA       MET 105  -9.165 -17.371 -11.731
  858   1HB   MET 105          2HB       MET 105 -10.252 -18.230 -13.821
  859   2HB   MET 105          1HB       MET 105 -11.356 -17.970 -12.476
  860   1HG   MET 105          2HG       MET 105 -12.534 -16.438 -13.585
  861   2HG   MET 105          1HG       MET 105 -11.090 -15.649 -14.218
  862   1HE   MET 105          1HE       MET 105 -12.357 -19.410 -14.646
  863   2HE   MET 105          2HE       MET 105 -13.265 -19.224 -16.147
  864   3HE   MET 105          3HE       MET 105 -13.783 -18.372 -14.691
  865    H    ALA 106           H        ALA 106  -7.117 -16.656 -12.123
  866    HA   ALA 106           HA       ALA 106  -6.545 -15.063 -14.482
  867   1HB   ALA 106          1HB       ALA 106  -4.246 -15.024 -13.647
  868   2HB   ALA 106          2HB       ALA 106  -4.688 -16.162 -12.372
  869   3HB   ALA 106          3HB       ALA 106  -5.393 -14.545 -12.396
  870    H    SER 107           H        SER 107  -5.779 -15.810 -16.360
  871    HA   SER 107           HA       SER 107  -4.916 -18.625 -16.479
  872   1HB   SER 107          2HB       SER 107  -7.181 -17.663 -17.648
  873   2HB   SER 107          1HB       SER 107  -6.016 -17.454 -18.956
  874    HG   SER 107           HG       SER 107  -5.882 -19.552 -19.175
  Start of MODEL    7
    1   1H    TRP   1          1HT       TRP   1   7.733 -14.242   6.403
    2   2H    TRP   1          2HT       TRP   1   9.014 -15.038   7.220
    3   3H    TRP   1          3HT       TRP   1   7.422 -15.092   7.859
    4    HA   TRP   1           HA       TRP   1   8.525 -16.426   5.499
    5   1HB   TRP   1          2HB       TRP   1   8.036 -17.148   8.154
    6   2HB   TRP   1          1HB       TRP   1   6.702 -17.861   7.252
    7    HD1  TRP   1           HD       TRP   1  10.344 -17.561   5.994
    8    HE1  TRP   1           1HE      TRP   1  11.230 -19.936   5.540
    9    HE3  TRP   1           3HE      TRP   1   6.357 -20.259   7.716
   10    HZ2  TRP   1           2HZ      TRP   1  10.354 -22.598   5.867
   11    HZ3  TRP   1           3HZ      TRP   1   6.461 -22.715   7.610
   12    HH2  TRP   1           HH       TRP   1   8.418 -23.859   6.703
   13    H    VAL   2           H        VAL   2   6.470 -18.144   5.036
   14    HA   VAL   2           HA       VAL   2   4.449 -16.360   3.886
   15    HB   VAL   2           HB       VAL   2   3.854 -18.264   2.441
   16   1HG1  VAL   2          1HG1      VAL   2   5.357 -16.898   1.366
   17   2HG1  VAL   2          2HG1      VAL   2   6.220 -18.435   1.338
   18   3HG1  VAL   2          3HG1      VAL   2   6.641 -17.209   2.534
   19   1HG2  VAL   2          1HG2      VAL   2   6.247 -19.819   3.150
   20   2HG2  VAL   2          2HG2      VAL   2   4.631 -20.362   2.694
   21   3HG2  VAL   2          3HG2      VAL   2   4.953 -19.845   4.350
   22    H    GLN   3           H        GLN   3   2.190 -17.030   3.894
   23    HA   GLN   3           HA       GLN   3   1.421 -18.965   5.931
   24   1HB   GLN   3          2HB       GLN   3   1.700 -16.475   6.818
   25   2HB   GLN   3          1HB       GLN   3   0.093 -16.305   6.125
   26   1HG   GLN   3          2HG       GLN   3  -0.241 -16.845   8.379
   27   2HG   GLN   3          1HG       GLN   3  -0.566 -18.329   7.486
   28   1HE2  GLN   3          1HE2      GLN   3   0.153 -20.025   8.537
   29   2HE2  GLN   3          2HE2      GLN   3   1.625 -20.129   9.435
   30    HA   PRO   4           HA       PRO   4  -1.279 -19.322   2.229
   31   1HB   PRO   4          2HB       PRO   4  -1.826 -21.903   3.588
   32   2HB   PRO   4          1HB       PRO   4  -1.396 -21.588   1.904
   33   1HG   PRO   4          2HG       PRO   4   0.375 -22.648   3.593
   34   2HG   PRO   4          1HG       PRO   4   0.872 -21.464   2.368
   35   1HD   PRO   4          2HD       PRO   4   0.424 -21.085   5.303
   36   2HD   PRO   4          1HD       PRO   4   1.684 -20.397   4.257
   37    H    ILE   5           H        ILE   5  -2.821 -17.824   2.855
   38    HA   ILE   5           HA       ILE   5  -4.517 -18.153   5.110
   39    HB   ILE   5           HB       ILE   5  -4.120 -15.942   4.218
   40   1HG1  ILE   5          2HG1      ILE   5  -6.413 -15.103   4.104
   41   2HG1  ILE   5          1HG1      ILE   5  -7.009 -16.723   3.757
   42   1HG2  ILE   5          1HG2      ILE   5  -5.104 -15.268   2.036
   43   2HG2  ILE   5          2HG2      ILE   5  -5.450 -16.968   1.720
   44   3HG2  ILE   5          3HG2      ILE   5  -3.782 -16.427   1.898
   45   1HD1  ILE   5          1HD1      ILE   5  -5.790 -15.727   6.315
   46   2HD1  ILE   5          2HD1      ILE   5  -6.130 -17.427   5.987
   47   3HD1  ILE   5          3HD1      ILE   5  -7.448 -16.257   6.039
   48    H    THR   6           H        THR   6  -6.329 -19.288   5.342
   49    HA   THR   6           HA       THR   6  -7.310 -20.861   3.115
   50    HB   THR   6           HB       THR   6  -8.873 -21.789   4.882
   51    HG1  THR   6           1HG      THR   6  -8.966 -20.782   6.699
   52   1HG2  THR   6          1HG2      THR   6  -7.366 -23.297   5.598
   53   2HG2  THR   6          2HG2      THR   6  -6.188 -22.070   6.060
   54   3HG2  THR   6          3HG2      THR   6  -6.364 -22.530   4.367
   55    H    ALA   7           H        ALA   7  -8.984 -20.335   1.871
   56    HA   ALA   7           HA       ALA   7 -10.849 -19.305   1.071
   57   1HB   ALA   7          1HB       ALA   7 -11.320 -19.470   3.956
   58   2HB   ALA   7          2HB       ALA   7 -12.382 -19.873   2.606
   59   3HB   ALA   7          3HB       ALA   7 -12.235 -18.199   3.143
   60    H    GLN   8           H        GLN   8 -12.141 -17.027   1.480
   61    HA   GLN   8           HA       GLN   8 -10.068 -15.029   1.077
   62   1HB   GLN   8          2HB       GLN   8 -11.968 -13.579   0.375
   63   2HB   GLN   8          1HB       GLN   8 -11.838 -15.067  -0.552
   64   1HG   GLN   8          2HG       GLN   8 -13.547 -15.512   1.687
   65   2HG   GLN   8          1HG       GLN   8 -14.069 -14.058   0.838
   66   1HE2  GLN   8          1HE2      GLN   8 -14.074 -17.432   0.875
   67   2HE2  GLN   8          2HE2      GLN   8 -14.790 -17.697  -0.675
   68    H    LYS   9           H        LYS   9  -9.298 -13.994   2.776
   69    HA   LYS   9           HA       LYS   9 -11.132 -12.743   4.647
   70   1HB   LYS   9          2HB       LYS   9  -9.088 -14.803   5.449
   71   2HB   LYS   9          1HB       LYS   9  -9.645 -13.573   6.575
   72   1HG   LYS   9          2HG       LYS   9 -11.997 -14.390   6.055
   73   2HG   LYS   9          1HG       LYS   9 -11.221 -15.779   5.293
   74   1HD   LYS   9          2HD       LYS   9 -10.563 -14.944   8.103
   75   2HD   LYS   9          1HD       LYS   9 -11.930 -16.002   7.747
   76   1HE   LYS   9          2HE       LYS   9  -9.893 -17.152   6.316
   77   2HE   LYS   9          1HE       LYS   9  -9.063 -16.571   7.759
   78   1HZ   LYS   9          1HZ       LYS   9 -10.132 -18.036   9.072
   79   2HZ   LYS   9          2HZ       LYS   9 -10.305 -18.911   7.634
   80   3HZ   LYS   9          3HZ       LYS   9 -11.582 -17.956   8.202
   81    HA   PRO  10           HA       PRO  10  -7.992  -9.641   4.644
   82   1HB   PRO  10          2HB       PRO  10  -8.417  -8.755   7.313
   83   2HB   PRO  10          1HB       PRO  10  -9.142  -8.119   5.841
   84   1HG   PRO  10          2HG       PRO  10 -10.509  -9.449   7.860
   85   2HG   PRO  10          1HG       PRO  10 -11.095  -9.215   6.205
   86   1HD   PRO  10          2HD       PRO  10  -9.831 -11.615   7.451
   87   2HD   PRO  10          1HD       PRO  10 -11.119 -11.519   6.230
   88    H    SER  11           H        SER  11  -6.782 -12.104   5.182
   89    HA   SER  11           HA       SER  11  -4.528 -11.218   6.762
   90   1HB   SER  11          2HB       SER  11  -4.598 -13.511   8.006
   91   2HB   SER  11          1HB       SER  11  -5.598 -12.184   8.597
   92    HG   SER  11           HG       SER  11  -6.427 -14.547   7.969
   93    H    LEU  12           H        LEU  12  -3.000 -11.506   5.254
   94    HA   LEU  12           HA       LEU  12  -2.481 -14.193   4.309
   95   1HB   LEU  12          2HB       LEU  12  -3.960 -13.381   2.579
   96   2HB   LEU  12          1HB       LEU  12  -3.033 -11.902   2.430
   97    HG   LEU  12           HG       LEU  12  -1.275 -12.960   1.311
   98   1HD1  LEU  12          1HD1      LEU  12  -1.639 -15.642   1.119
   99   2HD1  LEU  12          2HD1      LEU  12  -2.190 -15.331   2.766
  100   3HD1  LEU  12          3HD1      LEU  12  -0.565 -14.849   2.273
  101   1HD2  LEU  12          1HD2      LEU  12  -3.472 -14.662   0.243
  102   2HD2  LEU  12          2HD2      LEU  12  -2.272 -13.694  -0.615
  103   3HD2  LEU  12          3HD2      LEU  12  -3.639 -12.907   0.175
  104    H    THR  13           H        THR  13  -0.347 -14.575   4.218
  105    HA   THR  13           HA       THR  13   1.435 -12.293   4.642
  106    HB   THR  13           HB       THR  13   2.109 -15.223   4.895
  107    HG1  THR  13           1HG      THR  13   1.216 -13.431   6.904
  108   1HG2  THR  13          1HG2      THR  13   4.067 -13.825   4.800
  109   2HG2  THR  13          2HG2      THR  13   3.836 -14.423   6.443
  110   3HG2  THR  13          3HG2      THR  13   3.402 -12.761   6.041
  111    H    LEU  14           H        LEU  14   2.362 -11.465   2.937
  112    HA   LEU  14           HA       LEU  14   3.525 -13.240   0.914
  113   1HB   LEU  14          2HB       LEU  14   2.077 -10.689   0.224
  114   2HB   LEU  14          1HB       LEU  14   2.810 -11.814  -0.895
  115    HG   LEU  14           HG       LEU  14   0.333 -12.237   0.770
  116   1HD1  LEU  14          1HD1      LEU  14   0.482 -10.938  -1.543
  117   2HD1  LEU  14          2HD1      LEU  14  -0.882 -11.976  -1.127
  118   3HD1  LEU  14          3HD1      LEU  14   0.404 -12.585  -2.168
  119   1HD2  LEU  14          1HD2      LEU  14   2.179 -14.186  -0.258
  120   2HD2  LEU  14          2HD2      LEU  14   0.605 -14.350  -1.032
  121   3HD2  LEU  14          3HD2      LEU  14   0.732 -14.414   0.725
  122    H    TRP  15           H        TRP  15   5.070 -11.868  -0.524
  123    HA   TRP  15           HA       TRP  15   6.546 -10.181   1.346
  124   1HB   TRP  15          2HB       TRP  15   8.523 -10.800   0.351
  125   2HB   TRP  15          1HB       TRP  15   7.564 -12.257   0.199
  126    HD1  TRP  15           HD       TRP  15   6.192 -10.376  -2.549
  127    HE1  TRP  15           1HE      TRP  15   7.484 -10.810  -4.726
  128    HE3  TRP  15           3HE      TRP  15  10.439 -12.504  -0.630
  129    HZ2  TRP  15           2HZ      TRP  15   9.926 -11.901  -5.549
  130    HZ3  TRP  15           3HZ      TRP  15  12.192 -13.219  -2.194
  131    HH2  TRP  15           HH       TRP  15  11.944 -12.926  -4.599
  132    H    LEU  16           H        LEU  16   7.510  -8.273   0.731
  133    HA   LEU  16           HA       LEU  16   6.565  -6.993  -1.706
  134   1HB   LEU  16          2HB       LEU  16   5.813  -4.998  -0.473
  135   2HB   LEU  16          1HB       LEU  16   4.857  -6.419  -0.098
  136    HG   LEU  16           HG       LEU  16   7.137  -5.685   1.691
  137   1HD1  LEU  16          1HD1      LEU  16   4.388  -4.450   1.809
  138   2HD1  LEU  16          2HD1      LEU  16   5.880  -3.609   1.384
  139   3HD1  LEU  16          3HD1      LEU  16   5.669  -4.262   3.009
  140   1HD2  LEU  16          1HD2      LEU  16   6.298  -7.603   2.529
  141   2HD2  LEU  16          2HD2      LEU  16   4.726  -7.378   1.763
  142   3HD2  LEU  16          3HD2      LEU  16   5.110  -6.519   3.254
  143    H    ASP  17           H        ASP  17   8.028  -5.609  -2.570
  144    HA   ASP  17           HA       ASP  17  10.049  -4.622  -2.922
  145   1HB   ASP  17          2HB       ASP  17   9.595  -3.937  -0.016
  146   2HB   ASP  17          1HB       ASP  17  10.957  -3.311  -0.940
  147    H    ASP  18           H        ASP  18  10.057  -7.413  -2.303
  148    HA   ASP  18           HA       ASP  18  11.575  -9.080  -2.003
  149   1HB   ASP  18          2HB       ASP  18  13.217  -6.710  -2.350
  150   2HB   ASP  18          1HB       ASP  18  13.990  -7.872  -1.278
  151    H    LYS  19           H        LYS  19   9.958  -8.252   0.134
  152    HA   LYS  19           HA       LYS  19  11.481  -9.344   2.335
  153   1HB   LYS  19          2HB       LYS  19  11.404  -6.603   2.139
  154   2HB   LYS  19          1HB       LYS  19  10.045  -6.939   3.205
  155   1HG   LYS  19          2HG       LYS  19  11.378  -7.790   4.867
  156   2HG   LYS  19          1HG       LYS  19  12.668  -8.237   3.748
  157   1HD   LYS  19          2HD       LYS  19  13.540  -6.399   4.893
  158   2HD   LYS  19          1HD       LYS  19  12.951  -5.709   3.380
  159   1HE   LYS  19          2HE       LYS  19  10.962  -5.783   5.530
  160   2HE   LYS  19          1HE       LYS  19  12.363  -4.770   5.875
  161   1HZ   LYS  19          1HZ       LYS  19  11.957  -3.757   3.616
  162   2HZ   LYS  19          2HZ       LYS  19  10.820  -3.386   4.811
  163   3HZ   LYS  19          3HZ       LYS  19  10.454  -4.536   3.627
  164    H    MET  20           H        MET  20  10.205 -10.910   3.050
  165    HA   MET  20           HA       MET  20   7.455 -11.089   2.533
  166   1HB   MET  20          2HB       MET  20   9.443 -12.746   3.626
  167   2HB   MET  20          1HB       MET  20   8.183 -12.637   4.845
  168   1HG   MET  20          2HG       MET  20   7.261 -14.328   3.712
  169   2HG   MET  20          1HG       MET  20   6.693 -13.057   2.631
  170   1HE   MET  20          1HE       MET  20   6.897 -15.695   0.541
  171   2HE   MET  20          2HE       MET  20   7.470 -14.385  -0.493
  172   3HE   MET  20          3HE       MET  20   6.281 -14.057   0.770
  173    H    PHE  21           H        PHE  21   5.649 -10.806   3.801
  174    HA   PHE  21           HA       PHE  21   5.713  -9.951   6.506
  175   1HB   PHE  21          2HB       PHE  21   6.334  -7.910   4.782
  176   2HB   PHE  21          1HB       PHE  21   4.589  -7.731   4.936
  177    HD1  PHE  21           1HD      PHE  21   7.682  -8.084   6.968
  178    HD2  PHE  21           2HD      PHE  21   3.699  -6.605   6.753
  179    HE1  PHE  21           1HE      PHE  21   7.998  -6.931   9.119
  180    HE2  PHE  21           2HE      PHE  21   4.007  -5.448   8.903
  181    HZ   PHE  21           HZ       PHE  21   6.158  -5.611  10.088
  182    H    THR  22           H        THR  22   3.385  -8.809   6.944
  183    HA   THR  22           HA       THR  22   1.459 -10.636   5.680
  184    HB   THR  22           HB       THR  22   0.643  -9.250   8.146
  185    HG1  THR  22           1HG      THR  22   1.935 -10.650   9.435
  186   1HG2  THR  22          1HG2      THR  22   0.517 -11.989   8.515
  187   2HG2  THR  22          2HG2      THR  22   0.145 -11.753   6.807
  188   3HG2  THR  22          3HG2      THR  22  -0.802 -10.919   8.039
  189    H    GLY  23           H        GLY  23  -0.817  -9.820   5.622
  190   1HA   GLY  23          2HA       GLY  23  -1.323  -7.011   5.534
  191   2HA   GLY  23          1HA       GLY  23  -1.103  -7.671   3.919
  192    H    LEU  24           H        LEU  24  -3.537  -6.507   4.931
  193    HA   LEU  24           HA       LEU  24  -5.284  -8.779   5.399
  194   1HB   LEU  24          2HB       LEU  24  -6.005  -5.863   5.224
  195   2HB   LEU  24          1HB       LEU  24  -6.953  -7.156   5.915
  196    HG   LEU  24           HG       LEU  24  -4.493  -7.138   7.304
  197   1HD1  LEU  24          1HD1      LEU  24  -3.823  -5.008   7.099
  198   2HD1  LEU  24          2HD1      LEU  24  -5.132  -4.663   8.229
  199   3HD1  LEU  24          3HD1      LEU  24  -5.388  -4.467   6.494
  200   1HD2  LEU  24          1HD2      LEU  24  -7.078  -6.008   8.323
  201   2HD2  LEU  24          2HD2      LEU  24  -5.846  -6.916   9.197
  202   3HD2  LEU  24          3HD2      LEU  24  -6.874  -7.734   8.022
  203    H    ILE  25           H        ILE  25  -6.234  -9.792   3.768
  204    HA   ILE  25           HA       ILE  25  -6.367  -8.521   1.147
  205    HB   ILE  25           HB       ILE  25  -7.325 -11.303   1.769
  206   1HG1  ILE  25          2HG1      ILE  25  -5.026 -11.045   2.667
  207   2HG1  ILE  25          1HG1      ILE  25  -5.095 -12.153   1.299
  208   1HG2  ILE  25          1HG2      ILE  25  -6.178 -11.380  -0.674
  209   2HG2  ILE  25          2HG2      ILE  25  -6.741  -9.709  -0.632
  210   3HG2  ILE  25          3HG2      ILE  25  -7.884 -11.031  -0.392
  211   1HD1  ILE  25          1HD1      ILE  25  -3.347 -10.065   1.609
  212   2HD1  ILE  25          2HD1      ILE  25  -4.553  -9.416   0.499
  213   3HD1  ILE  25          3HD1      ILE  25  -3.703 -10.907   0.101
  214    H    ASN  26           H        ASN  26  -8.084  -7.288   0.759
  215    HA   ASN  26           HA       ASN  26 -10.683  -8.108   1.864
  216   1HB   ASN  26          2HB       ASN  26 -11.354  -5.722   1.377
  217   2HB   ASN  26          1HB       ASN  26 -10.121  -5.913   2.618
  218   1HD2  ASN  26          1HD2      ASN  26  -7.900  -5.553   1.993
  219   2HD2  ASN  26          2HD2      ASN  26  -7.546  -4.418   0.739
  220    H    THR  27           H        THR  27 -12.160  -8.881   0.522
  221    HA   THR  27           HA       THR  27 -11.661  -8.932  -2.314
  222    HB   THR  27           HB       THR  27 -12.574 -10.890  -1.132
  223    HG1  THR  27           1HG      THR  27 -13.063 -10.547  -3.362
  224   1HG2  THR  27          1HG2      THR  27 -14.280 -10.796   0.261
  225   2HG2  THR  27          2HG2      THR  27 -15.318 -10.143  -1.005
  226   3HG2  THR  27          3HG2      THR  27 -14.369  -9.053   0.006
  227    H    GLY  28           H        GLY  28 -12.719  -6.495  -0.522
  228   1HA   GLY  28          2HA       GLY  28 -14.728  -5.649  -2.511
  229   2HA   GLY  28          1HA       GLY  28 -14.816  -5.200  -0.815
  230    H    ALA  29           H        ALA  29 -11.819  -5.283  -2.611
  231    HA   ALA  29           HA       ALA  29 -11.132  -2.636  -1.884
  232   1HB   ALA  29          1HB       ALA  29  -9.525  -4.493  -2.367
  233   2HB   ALA  29          2HB       ALA  29  -9.150  -2.967  -3.168
  234   3HB   ALA  29          3HB       ALA  29  -9.889  -4.282  -4.079
  235    H    ASP  30           H        ASP  30 -11.114  -0.756  -3.068
  236    HA   ASP  30           HA       ASP  30 -12.347  -0.807  -5.736
  237   1HB   ASP  30          2HB       ASP  30 -13.532   1.337  -5.097
  238   2HB   ASP  30          1HB       ASP  30 -14.135  -0.119  -4.311
  239    H    VAL  31           H        VAL  31 -10.571   1.105  -3.352
  240    HA   VAL  31           HA       VAL  31  -8.890   2.156  -5.514
  241    HB   VAL  31           HB       VAL  31  -8.802   4.346  -4.223
  242   1HG1  VAL  31          1HG1      VAL  31 -10.420   5.263  -5.564
  243   2HG1  VAL  31          2HG1      VAL  31 -11.557   3.943  -5.286
  244   3HG1  VAL  31          3HG1      VAL  31 -10.178   3.709  -6.360
  245   1HG2  VAL  31          1HG2      VAL  31  -9.761   3.910  -2.153
  246   2HG2  VAL  31          2HG2      VAL  31 -11.103   3.004  -2.851
  247   3HG2  VAL  31          3HG2      VAL  31 -11.049   4.760  -3.004
  248    H    THR  32           H        THR  32  -7.070   1.037  -4.998
  249    HA   THR  32           HA       THR  32  -6.225   0.264  -2.489
  250    HB   THR  32           HB       THR  32  -5.293  -0.578  -4.615
  251    HG1  THR  32           1HG      THR  32  -3.674   0.301  -2.525
  252   1HG2  THR  32          1HG2      THR  32  -4.324   0.681  -6.139
  253   2HG2  THR  32          2HG2      THR  32  -3.205   1.354  -4.953
  254   3HG2  THR  32          3HG2      THR  32  -4.786   2.096  -5.197
  255    H    ILE  33           H        ILE  33  -6.153   1.657  -0.840
  256    HA   ILE  33           HA       ILE  33  -4.410   4.033  -1.119
  257    HB   ILE  33           HB       ILE  33  -6.358   3.975   1.113
  258   1HG1  ILE  33          2HG1      ILE  33  -7.772   3.323  -0.789
  259   2HG1  ILE  33          1HG1      ILE  33  -8.154   4.943  -0.229
  260   1HG2  ILE  33          1HG2      ILE  33  -6.375   6.371   0.748
  261   2HG2  ILE  33          2HG2      ILE  33  -5.371   6.164  -0.689
  262   3HG2  ILE  33          3HG2      ILE  33  -4.731   5.754   0.901
  263   1HD1  ILE  33          1HD1      ILE  33  -6.491   5.671  -2.100
  264   2HD1  ILE  33          2HD1      ILE  33  -8.154   5.240  -2.497
  265   3HD1  ILE  33          3HD1      ILE  33  -6.855   4.077  -2.760
  266    H    ILE  34           H        ILE  34  -2.617   3.912  -0.021
  267    HA   ILE  34           HA       ILE  34  -2.508   2.177   2.352
  268    HB   ILE  34           HB       ILE  34  -0.942   1.811   0.294
  269   1HG1  ILE  34          2HG1      ILE  34   1.011   1.452   2.094
  270   2HG1  ILE  34          1HG1      ILE  34  -0.333   1.723   3.199
  271   1HG2  ILE  34          1HG2      ILE  34   1.076   3.515   1.510
  272   2HG2  ILE  34          2HG2      ILE  34  -0.256   4.427   0.801
  273   3HG2  ILE  34          3HG2      ILE  34   0.654   3.286  -0.186
  274   1HD1  ILE  34          1HD1      ILE  34   0.103  -0.496   1.256
  275   2HD1  ILE  34          2HD1      ILE  34  -1.538  -0.061   1.741
  276   3HD1  ILE  34          3HD1      ILE  34  -0.361  -0.562   2.959
  277    H    LYS  35           H        LYS  35  -1.355   3.051   4.241
  278    HA   LYS  35           HA       LYS  35  -1.799   5.914   4.423
  279   1HB   LYS  35          2HB       LYS  35  -1.325   5.596   6.829
  280   2HB   LYS  35          1HB       LYS  35  -2.561   4.487   6.260
  281   1HG   LYS  35          2HG       LYS  35   0.220   3.509   6.206
  282   2HG   LYS  35          1HG       LYS  35  -0.537   3.723   7.779
  283   1HD   LYS  35          2HD       LYS  35  -2.487   2.468   6.286
  284   2HD   LYS  35          1HD       LYS  35  -0.992   1.686   5.773
  285   1HE   LYS  35          2HE       LYS  35  -1.223   2.079   8.669
  286   2HE   LYS  35          1HE       LYS  35  -2.443   1.006   7.982
  287   1HZ   LYS  35          1HZ       LYS  35  -0.871  -0.507   7.325
  288   2HZ   LYS  35          2HZ       LYS  35  -0.166   0.068   8.750
  289   3HZ   LYS  35          3HZ       LYS  35   0.379   0.631   7.252
  290    H    LEU  36           H        LEU  36  -0.164   7.274   5.567
  291    HA   LEU  36           HA       LEU  36   2.249   7.224   4.101
  292   1HB   LEU  36          2HB       LEU  36   0.951   8.955   5.934
  293   2HB   LEU  36          1HB       LEU  36   2.582   8.703   6.529
  294    HG   LEU  36           HG       LEU  36   2.492   9.259   3.661
  295   1HD1  LEU  36          1HD1      LEU  36   0.980  10.929   5.510
  296   2HD1  LEU  36          2HD1      LEU  36   0.919  10.841   3.757
  297   3HD1  LEU  36          3HD1      LEU  36   2.164  11.805   4.551
  298   1HD2  LEU  36          1HD2      LEU  36   4.325   9.384   5.681
  299   2HD2  LEU  36          2HD2      LEU  36   3.888  11.080   5.475
  300   3HD2  LEU  36          3HD2      LEU  36   4.497  10.151   4.103
  301    H    GLU  37           H        GLU  37   1.355   6.017   7.277
  302    HA   GLU  37           HA       GLU  37   3.881   5.565   8.363
  303   1HB   GLU  37          2HB       GLU  37   1.380   3.910   8.742
  304   2HB   GLU  37          1HB       GLU  37   2.791   3.889   9.789
  305   1HG   GLU  37          2HG       GLU  37   1.545   5.331  10.985
  306   2HG   GLU  37          1HG       GLU  37   2.247   6.500   9.868
  307    H    ASP  38           H        ASP  38   2.287   3.956   5.771
  308    HA   ASP  38           HA       ASP  38   4.198   1.729   5.910
  309   1HB   ASP  38          2HB       ASP  38   1.406   1.923   5.146
  310   2HB   ASP  38          1HB       ASP  38   2.366   1.169   3.879
  311    H    TRP  39           H        TRP  39   4.346   4.639   4.684
  312    HA   TRP  39           HA       TRP  39   5.106   3.858   1.968
  313   1HB   TRP  39          2HB       TRP  39   4.061   5.786   1.493
  314   2HB   TRP  39          1HB       TRP  39   4.046   6.275   3.182
  315    HD1  TRP  39           HD       TRP  39   6.088   6.672  -0.037
  316    HE1  TRP  39           1HE      TRP  39   7.708   8.651   0.266
  317    HE3  TRP  39           3HE      TRP  39   5.336   7.595   4.932
  318    HZ2  TRP  39           2HZ      TRP  39   8.553  10.369   2.343
  319    HZ3  TRP  39           3HZ      TRP  39   6.584   9.421   5.999
  320    HH2  TRP  39           HH       TRP  39   8.156  10.783   4.726
  321    HA   PRO  40           HA       PRO  40   9.424   3.890   2.854
  322   1HB   PRO  40          2HB       PRO  40  10.418   4.618   0.433
  323   2HB   PRO  40          1HB       PRO  40   9.755   3.013   0.760
  324   1HG   PRO  40          2HG       PRO  40   8.448   5.368  -0.553
  325   2HG   PRO  40          1HG       PRO  40   8.423   3.662  -1.039
  326   1HD   PRO  40          2HD       PRO  40   6.367   4.797   0.279
  327   2HD   PRO  40          1HD       PRO  40   6.831   3.104   0.544
  328    HA   PRO  41           HA       PRO  41  10.023   8.230   3.913
  329   1HB   PRO  41          2HB       PRO  41  12.604   7.271   4.962
  330   2HB   PRO  41          1HB       PRO  41  11.288   8.096   5.800
  331   1HG   PRO  41          2HG       PRO  41  11.805   5.496   6.209
  332   2HG   PRO  41          1HG       PRO  41  10.150   6.135   6.227
  333   1HD   PRO  41          2HD       PRO  41  11.579   4.631   4.069
  334   2HD   PRO  41          1HD       PRO  41   9.897   4.487   4.622
  335    H    ASN  42           H        ASN  42  11.900   6.272   1.831
  336    HA   ASN  42           HA       ASN  42  14.147   7.704   1.243
  337   1HB   ASN  42          2HB       ASN  42  13.254   5.533   0.184
  338   2HB   ASN  42          1HB       ASN  42  12.427   6.588  -0.958
  339   1HD2  ASN  42          1HD2      ASN  42  14.946   4.688  -0.783
  340   2HD2  ASN  42          2HD2      ASN  42  16.092   5.539  -1.755
  341    H    TRP  43           H        TRP  43  10.853   8.406   0.193
  342    HA   TRP  43           HA       TRP  43  11.719  11.101  -0.554
  343   1HB   TRP  43          2HB       TRP  43  10.512  11.066  -2.639
  344   2HB   TRP  43          1HB       TRP  43  11.613   9.696  -2.623
  345    HD1  TRP  43           HD       TRP  43   7.850  10.395  -1.944
  346    HE1  TRP  43           1HE      TRP  43   6.534   8.298  -2.636
  347    HE3  TRP  43           3HE      TRP  43  11.757   7.346  -3.223
  348    HZ2  TRP  43           2HZ      TRP  43   7.066   5.708  -3.601
  349    HZ3  TRP  43           3HZ      TRP  43  11.260   5.073  -4.019
  350    HH2  TRP  43           HH       TRP  43   8.958   4.277  -4.201
  351    HA   PRO  44           HA       PRO  44   8.077  12.107   1.794
  352   1HB   PRO  44          2HB       PRO  44   8.045  14.682   0.398
  353   2HB   PRO  44          1HB       PRO  44   8.314  14.349   2.110
  354   1HG   PRO  44          2HG       PRO  44  10.291  15.199   0.483
  355   2HG   PRO  44          1HG       PRO  44  10.586  14.097   1.841
  356   1HD   PRO  44          2HD       PRO  44  10.360  13.490  -1.084
  357   2HD   PRO  44          1HD       PRO  44  11.480  12.826   0.125
  358    H    ILE  45           H        ILE  45   5.897  11.994   1.460
  359    HA   ILE  45           HA       ILE  45   5.055  11.701  -1.311
  360    HB   ILE  45           HB       ILE  45   2.933  10.895  -0.371
  361   1HG1  ILE  45          2HG1      ILE  45   3.419  10.103   2.163
  362   2HG1  ILE  45          1HG1      ILE  45   4.302  11.626   2.148
  363   1HG2  ILE  45          1HG2      ILE  45   5.034   9.217   0.871
  364   2HG2  ILE  45          2HG2      ILE  45   5.182   9.570  -0.851
  365   3HG2  ILE  45          3HG2      ILE  45   3.736   8.767  -0.236
  366   1HD1  ILE  45          1HD1      ILE  45   2.290  12.401   2.786
  367   2HD1  ILE  45          2HD1      ILE  45   1.407  11.109   1.967
  368   3HD1  ILE  45          3HD1      ILE  45   2.052  12.465   1.042
  369    H    THR  46           H        THR  46   3.711  13.061  -2.363
  370    HA   THR  46           HA       THR  46   2.401  15.151  -0.798
  371    HB   THR  46           HB       THR  46   4.803  15.539  -1.891
  372    HG1  THR  46           1HG      THR  46   2.848  17.572  -1.663
  373   1HG2  THR  46          1HG2      THR  46   2.949  16.886  -3.830
  374   2HG2  THR  46          2HG2      THR  46   3.881  15.434  -4.200
  375   3HG2  THR  46          3HG2      THR  46   4.713  16.939  -3.803
  376    H    ASP  47           H        ASP  47   0.467  15.701  -1.367
  377    HA   ASP  47           HA       ASP  47  -0.348  15.851  -4.154
  378   1HB   ASP  47          2HB       ASP  47  -1.321  13.692  -2.636
  379   2HB   ASP  47          1HB       ASP  47  -2.629  14.856  -2.683
  380    H    THR  48           H        THR  48  -1.157  17.866  -4.444
  381    HA   THR  48           HA       THR  48  -1.769  19.506  -2.192
  382    HB   THR  48           HB       THR  48  -2.192  21.253  -3.724
  383    HG1  THR  48           1HG      THR  48  -3.261  20.932  -5.484
  384   1HG2  THR  48          1HG2      THR  48  -0.435  19.881  -5.618
  385   2HG2  THR  48          2HG2      THR  48   0.132  19.895  -3.948
  386   3HG2  THR  48          3HG2      THR  48  -0.227  21.413  -4.770
  387    H    LEU  49           H        LEU  49  -3.442  18.580  -0.986
  388    HA   LEU  49           HA       LEU  49  -5.841  17.751  -2.362
  389   1HB   LEU  49          2HB       LEU  49  -4.857  16.685  -0.297
  390   2HB   LEU  49          1HB       LEU  49  -5.447  18.058   0.596
  391    HG   LEU  49           HG       LEU  49  -7.724  17.463   0.196
  392   1HD1  LEU  49          1HD1      LEU  49  -7.626  16.855  -2.119
  393   2HD1  LEU  49          2HD1      LEU  49  -8.311  15.505  -1.215
  394   3HD1  LEU  49          3HD1      LEU  49  -6.634  15.444  -1.756
  395   1HD2  LEU  49          1HD2      LEU  49  -7.431  14.809   0.733
  396   2HD2  LEU  49          2HD2      LEU  49  -7.328  16.100   1.930
  397   3HD2  LEU  49          3HD2      LEU  49  -5.858  15.447   1.207
  398    H    THR  50           H        THR  50  -8.023  18.584  -1.276
  399    HA   THR  50           HA       THR  50  -7.872  21.515  -1.434
  400    HB   THR  50           HB       THR  50 -10.421  21.127  -2.031
  401    HG1  THR  50           1HG      THR  50  -9.199  18.719  -2.891
  402   1HG2  THR  50          1HG2      THR  50  -8.501  22.014  -3.499
  403   2HG2  THR  50          2HG2      THR  50  -9.945  21.367  -4.278
  404   3HG2  THR  50          3HG2      THR  50  -8.483  20.387  -4.178
  405    H    ASN  51           H        ASN  51  -8.169  22.540   0.371
  406    HA   ASN  51           HA       ASN  51 -10.252  21.654   2.248
  407   1HB   ASN  51          2HB       ASN  51  -7.759  21.241   2.967
  408   2HB   ASN  51          1HB       ASN  51  -7.749  22.980   3.230
  409   1HD2  ASN  51          1HD2      ASN  51  -8.863  23.842   4.934
  410   2HD2  ASN  51          2HD2      ASN  51  -9.594  22.883   6.171
  411    H    LEU  52           H        LEU  52 -11.531  23.242   1.078
  412    HA   LEU  52           HA       LEU  52 -10.636  25.999   1.332
  413   1HB   LEU  52          2HB       LEU  52 -12.658  24.587  -0.314
  414   2HB   LEU  52          1HB       LEU  52 -12.912  26.285   0.022
  415    HG   LEU  52           HG       LEU  52 -11.369  26.932  -1.472
  416   1HD1  LEU  52          1HD1      LEU  52  -9.163  25.706  -1.757
  417   2HD1  LEU  52          2HD1      LEU  52  -9.651  24.725  -0.377
  418   3HD1  LEU  52          3HD1      LEU  52  -9.449  26.467  -0.192
  419   1HD2  LEU  52          1HD2      LEU  52 -12.644  24.983  -2.547
  420   2HD2  LEU  52          2HD2      LEU  52 -11.133  24.091  -2.374
  421   3HD2  LEU  52          3HD2      LEU  52 -11.181  25.566  -3.339
  422    H    ARG  53           H        ARG  53 -11.302  27.370   2.733
  423    HA   ARG  53           HA       ARG  53 -13.446  26.675   4.572
  424   1HB   ARG  53          2HB       ARG  53 -10.979  28.117   4.779
  425   2HB   ARG  53          1HB       ARG  53 -12.298  29.175   5.254
  426   1HG   ARG  53          2HG       ARG  53 -12.952  27.760   6.999
  427   2HG   ARG  53          1HG       ARG  53 -12.024  26.404   6.358
  428   1HD   ARG  53          2HD       ARG  53 -10.331  28.688   6.875
  429   2HD   ARG  53          1HD       ARG  53 -11.224  28.215   8.319
  430    HE   ARG  53           HE       ARG  53 -10.235  25.874   7.317
  431   1HH1  ARG  53          1HH1      ARG  53  -8.843  28.913   8.320
  432   2HH1  ARG  53          2HH1      ARG  53  -7.342  28.205   8.815
  433   1HH2  ARG  53          1HH2      ARG  53  -8.263  24.940   7.968
  434   2HH2  ARG  53          2HH2      ARG  53  -7.013  25.949   8.614
  435    H    GLY  54           H        GLY  54 -13.587  27.863   1.668
  436   1HA   GLY  54          2HA       GLY  54 -15.230  29.133   0.613
  437   2HA   GLY  54          1HA       GLY  54 -15.889  29.531   2.198
  438    H    ILE  55           H        ILE  55 -14.304  30.858   3.539
  439    HA   ILE  55           HA       ILE  55 -13.390  33.105   1.895
  440    HB   ILE  55           HB       ILE  55 -13.193  34.114   4.375
  441   1HG1  ILE  55          2HG1      ILE  55 -15.377  32.029   4.526
  442   2HG1  ILE  55          1HG1      ILE  55 -13.985  32.202   5.589
  443   1HG2  ILE  55          1HG2      ILE  55 -15.719  33.981   2.738
  444   2HG2  ILE  55          2HG2      ILE  55 -14.394  35.126   2.535
  445   3HG2  ILE  55          3HG2      ILE  55 -15.379  35.167   3.997
  446   1HD1  ILE  55          1HD1      ILE  55 -15.369  33.269   6.956
  447   2HD1  ILE  55          2HD1      ILE  55 -16.589  33.464   5.699
  448   3HD1  ILE  55          3HD1      ILE  55 -15.265  34.620   5.829
  449    H    GLY  56           H        GLY  56 -12.424  30.429   3.666
  450   1HA   GLY  56          2HA       GLY  56  -9.670  31.472   3.915
  451   2HA   GLY  56          1HA       GLY  56 -10.349  30.245   4.976
  452    H    GLN  57           H        GLN  57 -10.387  30.621   1.437
  453    HA   GLN  57           HA       GLN  57 -10.263  27.997   0.720
  454   1HB   GLN  57          2HB       GLN  57  -9.135  28.775  -1.382
  455   2HB   GLN  57          1HB       GLN  57 -10.588  29.667  -0.953
  456   1HG   GLN  57          2HG       GLN  57  -9.456  31.559  -1.027
  457   2HG   GLN  57          1HG       GLN  57  -8.383  30.979   0.245
  458   1HE2  GLN  57          1HE2      GLN  57  -6.353  31.244  -0.308
  459   2HE2  GLN  57          2HE2      GLN  57  -5.675  30.985  -1.876
  460    H    SER  58           H        SER  58  -8.964  26.660   1.902
  461    HA   SER  58           HA       SER  58  -6.056  27.087   1.696
  462   1HB   SER  58          2HB       SER  58  -7.770  26.255   3.929
  463   2HB   SER  58          1HB       SER  58  -6.366  25.214   3.689
  464    HG   SER  58           HG       SER  58  -5.960  27.022   5.076
  465    H    ASN  59           H        ASN  59  -4.903  24.805   2.009
  466    HA   ASN  59           HA       ASN  59  -6.237  22.907   0.184
  467   1HB   ASN  59          2HB       ASN  59  -3.294  23.583   0.354
  468   2HB   ASN  59          1HB       ASN  59  -3.975  22.310  -0.653
  469   1HD2  ASN  59          1HD2      ASN  59  -4.540  22.823  -2.649
  470   2HD2  ASN  59          2HD2      ASN  59  -4.745  24.425  -3.260
  471    H    ASN  60           H        ASN  60  -6.242  20.766   0.734
  472    HA   ASN  60           HA       ASN  60  -5.572  20.118   3.439
  473   1HB   ASN  60          2HB       ASN  60  -7.025  18.821   1.235
  474   2HB   ASN  60          1HB       ASN  60  -6.213  17.709   2.331
  475   1HD2  ASN  60          1HD2      ASN  60  -6.495  19.197   4.710
  476   2HD2  ASN  60          2HD2      ASN  60  -8.167  19.223   5.129
  477    HA   PRO  61           HA       PRO  61  -1.600  18.404   3.257
  478   1HB   PRO  61          2HB       PRO  61  -1.806  15.958   4.470
  479   2HB   PRO  61          1HB       PRO  61  -1.819  17.506   5.321
  480   1HG   PRO  61          2HG       PRO  61  -4.122  15.789   4.477
  481   2HG   PRO  61          1HG       PRO  61  -3.862  16.636   6.014
  482   1HD   PRO  61          2HD       PRO  61  -5.493  17.623   4.129
  483   2HD   PRO  61          1HD       PRO  61  -4.486  18.689   5.132
  484    H    LYS  62           H        LYS  62  -0.928  18.113   1.279
  485    HA   LYS  62           HA       LYS  62  -1.450  16.473  -0.692
  486   1HB   LYS  62          2HB       LYS  62   1.307  16.635  -0.788
  487   2HB   LYS  62          1HB       LYS  62   0.210  17.865  -1.374
  488   1HG   LYS  62          2HG       LYS  62   2.019  18.739   0.036
  489   2HG   LYS  62          1HG       LYS  62   0.422  19.089   0.690
  490   1HD   LYS  62          2HD       LYS  62   0.678  17.607   2.445
  491   2HD   LYS  62          1HD       LYS  62   1.860  16.626   1.580
  492   1HE   LYS  62          2HE       LYS  62   3.575  18.218   1.936
  493   2HE   LYS  62          1HE       LYS  62   2.427  19.439   2.483
  494   1HZ   LYS  62          1HZ       LYS  62   2.381  18.592   4.544
  495   2HZ   LYS  62          2HZ       LYS  62   3.859  17.886   4.120
  496   3HZ   LYS  62          3HZ       LYS  62   2.432  16.984   4.017
  497    H    GLN  63           H        GLN  63  -1.478  14.394  -1.084
  498    HA   GLN  63           HA       GLN  63   0.227  12.535   0.446
  499   1HB   GLN  63          2HB       GLN  63  -1.513  11.095   0.602
  500   2HB   GLN  63          1HB       GLN  63  -2.475  12.524   0.308
  501   1HG   GLN  63          2HG       GLN  63  -1.593  11.066  -2.098
  502   2HG   GLN  63          1HG       GLN  63  -2.733  10.229  -1.053
  503   1HE2  GLN  63          1HE2      GLN  63  -4.361  12.130  -0.156
  504   2HE2  GLN  63          2HE2      GLN  63  -5.191  12.911  -1.455
  505    H    SER  64           H        SER  64   1.209  10.732  -0.761
  506    HA   SER  64           HA       SER  64   1.675  11.500  -3.565
  507   1HB   SER  64          2HB       SER  64   3.670  11.311  -2.134
  508   2HB   SER  64          1HB       SER  64   3.332   9.599  -1.931
  509    HG   SER  64           HG       SER  64   4.037  10.993  -4.283
  510    H    SER  65           H        SER  65   2.759   9.054  -4.437
  511    HA   SER  65           HA       SER  65   0.353   7.375  -4.529
  512   1HB   SER  65          2HB       SER  65   0.912   6.795  -6.816
  513   2HB   SER  65          1HB       SER  65   0.861   8.551  -6.663
  514    HG   SER  65           HG       SER  65   2.755   7.387  -7.755
  515    H    LYS  66           H        LYS  66   3.891   7.376  -4.547
  516    HA   LYS  66           HA       LYS  66   5.339   5.522  -4.584
  517   1HB   LYS  66          2HB       LYS  66   5.744   4.921  -2.321
  518   2HB   LYS  66          1HB       LYS  66   5.187   6.585  -2.324
  519   1HG   LYS  66          2HG       LYS  66   3.703   6.026  -0.793
  520   2HG   LYS  66          1HG       LYS  66   2.882   5.043  -2.004
  521   1HD   LYS  66          2HD       LYS  66   5.131   3.580  -1.040
  522   2HD   LYS  66          1HD       LYS  66   4.234   4.198   0.347
  523   1HE   LYS  66          2HE       LYS  66   2.211   3.303  -1.213
  524   2HE   LYS  66          1HE       LYS  66   3.487   2.167  -1.641
  525   1HZ   LYS  66          1HZ       LYS  66   2.919   2.750   1.193
  526   2HZ   LYS  66          2HZ       LYS  66   3.625   1.375   0.510
  527   3HZ   LYS  66          3HZ       LYS  66   1.962   1.637   0.352
  528    H    TYR  67           H        TYR  67   4.916   3.833  -5.914
  529    HA   TYR  67           HA       TYR  67   2.696   2.109  -5.386
  530   1HB   TYR  67          2HB       TYR  67   2.912   1.397  -7.520
  531   2HB   TYR  67          1HB       TYR  67   3.835   2.877  -7.663
  532    HD1  TYR  67           1HD      TYR  67   6.454   2.305  -6.716
  533    HD2  TYR  67           2HD      TYR  67   3.781  -0.259  -8.805
  534    HE1  TYR  67           1HE      TYR  67   8.366   1.014  -7.569
  535    HE2  TYR  67           2HE      TYR  67   5.676  -1.554  -9.661
  536    HH   TYR  67           HH       TYR  67   8.123  -1.992  -8.859
  537    H    LEU  68           H        LEU  68   2.605   0.303  -4.366
  538    HA   LEU  68           HA       LEU  68   5.075  -0.823  -3.279
  539   1HB   LEU  68          2HB       LEU  68   2.582  -0.280  -2.152
  540   2HB   LEU  68          1HB       LEU  68   2.607  -2.024  -2.331
  541    HG   LEU  68           HG       LEU  68   4.586  -2.205  -0.979
  542   1HD1  LEU  68          1HD1      LEU  68   6.028  -0.508  -1.274
  543   2HD1  LEU  68          2HD1      LEU  68   5.192   0.182   0.119
  544   3HD1  LEU  68          3HD1      LEU  68   4.748   0.681  -1.515
  545   1HD2  LEU  68          1HD2      LEU  68   3.721  -0.914   1.116
  546   2HD2  LEU  68          2HD2      LEU  68   2.766  -2.233   0.438
  547   3HD2  LEU  68          3HD2      LEU  68   2.333  -0.559   0.087
  548    H    THR  69           H        THR  69   5.635  -2.951  -3.556
  549    HA   THR  69           HA       THR  69   4.115  -4.370  -5.627
  550    HB   THR  69           HB       THR  69   6.341  -5.556  -6.034
  551    HG1  THR  69           1HG      THR  69   7.342  -3.285  -4.666
  552   1HG2  THR  69          1HG2      THR  69   7.327  -3.478  -7.194
  553   2HG2  THR  69          2HG2      THR  69   5.840  -2.681  -6.676
  554   3HG2  THR  69          3HG2      THR  69   5.766  -4.101  -7.725
  555    H    TRP  70           H        TRP  70   2.817  -5.659  -4.522
  556    HA   TRP  70           HA       TRP  70   3.866  -7.337  -2.377
  557   1HB   TRP  70          2HB       TRP  70   1.596  -5.906  -2.400
  558   2HB   TRP  70          1HB       TRP  70   0.988  -7.377  -3.149
  559    HD1  TRP  70           HD       TRP  70   3.607  -8.207  -0.651
  560    HE1  TRP  70           1HE      TRP  70   2.522  -9.060   1.523
  561    HE3  TRP  70           3HE      TRP  70  -1.236  -6.855  -1.571
  562    HZ2  TRP  70           2HZ      TRP  70  -0.040  -9.142   2.694
  563    HZ3  TRP  70           3HZ      TRP  70  -2.943  -7.358   0.129
  564    HH2  TRP  70           HH       TRP  70  -2.354  -8.480   2.217
  565    H    ARG  71           H        ARG  71   4.292  -9.416  -2.768
  566    HA   ARG  71           HA       ARG  71   2.936 -10.784  -4.948
  567   1HB   ARG  71          2HB       ARG  71   5.866 -10.240  -4.777
  568   2HB   ARG  71          1HB       ARG  71   5.310 -11.725  -5.536
  569   1HG   ARG  71          2HG       ARG  71   4.549 -10.654  -7.363
  570   2HG   ARG  71          1HG       ARG  71   3.991  -9.256  -6.444
  571   1HD   ARG  71          2HD       ARG  71   6.825  -9.880  -7.253
  572   2HD   ARG  71          1HD       ARG  71   5.802  -8.596  -7.893
  573    HE   ARG  71           HE       ARG  71   5.868  -7.994  -5.285
  574   1HH1  ARG  71          1HH1      ARG  71   8.418  -8.787  -7.535
  575   2HH1  ARG  71          2HH1      ARG  71   9.608  -7.835  -6.713
  576   1HH2  ARG  71          1HH2      ARG  71   7.433  -6.742  -4.206
  577   2HH2  ARG  71          2HH2      ARG  71   9.050  -6.675  -4.825
  578    H    ASP  72           H        ASP  72   2.742 -12.991  -4.639
  579    HA   ASP  72           HA       ASP  72   3.193 -13.917  -1.954
  580   1HB   ASP  72          2HB       ASP  72   1.173 -14.478  -3.445
  581   2HB   ASP  72          1HB       ASP  72   2.248 -15.600  -4.274
  582    H    LYS  73           H        LYS  73   4.278 -15.998  -1.539
  583    HA   LYS  73           HA       LYS  73   6.913 -16.055  -2.037
  584   1HB   LYS  73          2HB       LYS  73   6.780 -18.594  -1.757
  585   2HB   LYS  73          1HB       LYS  73   6.116 -17.601  -0.467
  586   1HG   LYS  73          2HG       LYS  73   4.465 -19.156  -0.693
  587   2HG   LYS  73          1HG       LYS  73   3.881 -17.913  -1.800
  588   1HD   LYS  73          2HD       LYS  73   3.723 -19.633  -3.251
  589   2HD   LYS  73          1HD       LYS  73   5.454 -19.359  -3.458
  590   1HE   LYS  73          2HE       LYS  73   6.004 -21.113  -1.966
  591   2HE   LYS  73          1HE       LYS  73   4.343 -21.238  -1.389
  592   1HZ   LYS  73          1HZ       LYS  73   4.192 -21.648  -4.099
  593   2HZ   LYS  73          2HZ       LYS  73   4.085 -22.831  -2.894
  594   3HZ   LYS  73          3HZ       LYS  73   5.575 -22.501  -3.624
  595    H    GLU  74           H        GLU  74   4.461 -17.098  -4.282
  596    HA   GLU  74           HA       GLU  74   6.370 -18.310  -6.073
  597   1HB   GLU  74          2HB       GLU  74   3.668 -18.621  -5.699
  598   2HB   GLU  74          1HB       GLU  74   3.723 -17.647  -7.162
  599   1HG   GLU  74          2HG       GLU  74   5.644 -19.650  -7.511
  600   2HG   GLU  74          1HG       GLU  74   4.237 -20.447  -6.810
  601    H    ASN  75           H        ASN  75   6.625 -15.456  -5.294
  602    HA   ASN  75           HA       ASN  75   6.993 -13.400  -6.169
  603   1HB   ASN  75          2HB       ASN  75   8.296 -13.374  -8.243
  604   2HB   ASN  75          1HB       ASN  75   8.849 -14.648  -7.163
  605   1HD2  ASN  75          1HD2      ASN  75   7.515 -13.884 -10.216
  606   2HD2  ASN  75          2HD2      ASN  75   7.447 -15.493 -10.843
  607    H    ASN  76           H        ASN  76   4.391 -13.630  -6.196
  608    HA   ASN  76           HA       ASN  76   3.566 -11.977  -8.321
  609   1HB   ASN  76          2HB       ASN  76   1.975 -13.570  -9.446
  610   2HB   ASN  76          1HB       ASN  76   3.681 -13.859  -9.775
  611   1HD2  ASN  76          1HD2      ASN  76   3.736 -15.978 -10.138
  612   2HD2  ASN  76          2HD2      ASN  76   3.197 -17.193  -9.033
  613    H    SER  77           H        SER  77   1.696 -10.950  -7.840
  614    HA   SER  77           HA       SER  77  -0.490 -12.042  -6.492
  615   1HB   SER  77          2HB       SER  77   1.485 -11.766  -4.682
  616   2HB   SER  77          1HB       SER  77   0.741 -10.175  -4.557
  617    HG   SER  77           HG       SER  77  -0.351 -12.710  -4.026
  618    H    GLY  78           H        GLY  78   1.382  -8.994  -6.769
  619   1HA   GLY  78          2HA       GLY  78  -0.211  -7.569  -8.397
  620   2HA   GLY  78          1HA       GLY  78  -1.086  -7.467  -6.877
  621    H    LEU  79           H        LEU  79   0.544  -5.533  -8.650
  622    HA   LEU  79           HA       LEU  79   1.725  -4.122  -6.404
  623   1HB   LEU  79          2HB       LEU  79   3.871  -3.813  -7.437
  624   2HB   LEU  79          1HB       LEU  79   3.549  -5.528  -7.261
  625    HG   LEU  79           HG       LEU  79   2.634  -4.820  -9.832
  626   1HD1  LEU  79          1HD1      LEU  79   4.059  -3.371 -10.748
  627   2HD1  LEU  79          2HD1      LEU  79   5.452  -4.090  -9.936
  628   3HD1  LEU  79          3HD1      LEU  79   4.450  -2.910  -9.092
  629   1HD2  LEU  79          1HD2      LEU  79   5.290  -6.073  -9.560
  630   2HD2  LEU  79          2HD2      LEU  79   3.859  -6.616 -10.437
  631   3HD2  LEU  79          3HD2      LEU  79   3.969  -6.860  -8.694
  632    H    ILE  80           H        ILE  80   1.116  -2.060  -6.525
  633    HA   ILE  80           HA       ILE  80   1.195  -0.617  -9.017
  634    HB   ILE  80           HB       ILE  80  -1.205   0.170  -8.788
  635   1HG1  ILE  80          2HG1      ILE  80  -2.705  -1.664  -7.804
  636   2HG1  ILE  80          1HG1      ILE  80  -1.254  -2.253  -7.003
  637   1HG2  ILE  80          1HG2      ILE  80  -0.857  -2.721  -9.560
  638   2HG2  ILE  80          2HG2      ILE  80  -0.332  -1.361 -10.552
  639   3HG2  ILE  80          3HG2      ILE  80  -2.044  -1.577 -10.187
  640   1HD1  ILE  80          1HD1      ILE  80  -2.760  -0.747  -5.659
  641   2HD1  ILE  80          2HD1      ILE  80  -2.221   0.567  -6.704
  642   3HD1  ILE  80          3HD1      ILE  80  -1.054  -0.304  -5.709
  643    H    LYS  81           H        LYS  81   0.372   1.667  -8.716
  644    HA   LYS  81           HA       LYS  81   1.498   2.708  -6.256
  645   1HB   LYS  81          2HB       LYS  81   1.302   4.904  -7.392
  646   2HB   LYS  81          1HB       LYS  81   2.239   3.726  -8.300
  647   1HG   LYS  81          2HG       LYS  81   0.949   4.085 -10.053
  648   2HG   LYS  81          1HG       LYS  81  -0.428   3.454  -9.151
  649   1HD   LYS  81          2HD       LYS  81  -0.346   5.926  -8.131
  650   2HD   LYS  81          1HD       LYS  81   0.358   6.253  -9.715
  651   1HE   LYS  81          2HE       LYS  81  -1.598   5.111 -10.746
  652   2HE   LYS  81          1HE       LYS  81  -2.313   4.979  -9.141
  653   1HZ   LYS  81          1HZ       LYS  81  -1.494   7.586 -10.270
  654   2HZ   LYS  81          2HZ       LYS  81  -2.551   7.283  -8.984
  655   3HZ   LYS  81          3HZ       LYS  81  -3.025   6.929 -10.570
  656    HA   PRO  82           HA       PRO  82  -2.742   3.423  -4.808
  657   1HB   PRO  82          2HB       PRO  82  -1.952   3.098  -2.136
  658   2HB   PRO  82          1HB       PRO  82  -2.652   1.855  -3.170
  659   1HG   PRO  82          2HG       PRO  82  -0.041   1.887  -2.129
  660   2HG   PRO  82          1HG       PRO  82  -0.663   0.807  -3.386
  661   1HD   PRO  82          2HD       PRO  82   0.941   3.300  -3.653
  662   2HD   PRO  82          1HD       PRO  82   0.957   1.834  -4.650
  663    H    PHE  83           H        PHE  83  -3.359   4.750  -2.619
  664    HA   PHE  83           HA       PHE  83  -1.948   7.313  -2.916
  665   1HB   PHE  83          2HB       PHE  83  -4.769   6.565  -2.529
  666   2HB   PHE  83          1HB       PHE  83  -4.231   7.910  -1.529
  667    HD1  PHE  83           1HD      PHE  83  -5.957   7.327  -4.330
  668    HD2  PHE  83           2HD      PHE  83  -2.465   9.438  -3.125
  669    HE1  PHE  83           1HE      PHE  83  -6.220   8.847  -6.246
  670    HE2  PHE  83           2HE      PHE  83  -2.723  10.964  -5.038
  671    HZ   PHE  83           HZ       PHE  83  -4.602  10.669  -6.601
  672    H    VAL  84           H        VAL  84  -0.663   7.931  -1.287
  673    HA   VAL  84           HA       VAL  84  -1.035   6.708   1.324
  674    HB   VAL  84           HB       VAL  84   1.464   8.073   0.388
  675   1HG1  VAL  84          1HG1      VAL  84   0.879   7.355   2.800
  676   2HG1  VAL  84          2HG1      VAL  84   2.483   7.022   2.144
  677   3HG1  VAL  84          3HG1      VAL  84   1.272   5.738   2.214
  678   1HG2  VAL  84          1HG2      VAL  84   1.935   5.362   0.147
  679   2HG2  VAL  84          2HG2      VAL  84   1.736   6.512  -1.176
  680   3HG2  VAL  84          3HG2      VAL  84   0.353   5.583  -0.600
  681    H    ILE  85           H        ILE  85  -2.026   7.993   2.693
  682    HA   ILE  85           HA       ILE  85  -1.257  10.843   2.763
  683    HB   ILE  85           HB       ILE  85  -3.956  10.226   3.751
  684   1HG1  ILE  85          2HG1      ILE  85  -3.348  10.005   0.794
  685   2HG1  ILE  85          1HG1      ILE  85  -3.923   8.704   1.832
  686   1HG2  ILE  85          1HG2      ILE  85  -2.482  12.399   2.497
  687   2HG2  ILE  85          2HG2      ILE  85  -3.867  12.452   3.589
  688   3HG2  ILE  85          3HG2      ILE  85  -4.116  12.223   1.858
  689   1HD1  ILE  85          1HD1      ILE  85  -5.510  10.199   0.267
  690   2HD1  ILE  85          2HD1      ILE  85  -5.601  11.116   1.771
  691   3HD1  ILE  85          3HD1      ILE  85  -6.052   9.410   1.749
  692    HA   PRO  86           HA       PRO  86  -0.458  10.000   7.042
  693   1HB   PRO  86          2HB       PRO  86  -0.553  12.478   8.101
  694   2HB   PRO  86          1HB       PRO  86   0.752  11.963   7.031
  695   1HG   PRO  86          2HG       PRO  86  -1.631  13.654   6.439
  696   2HG   PRO  86          1HG       PRO  86   0.028  13.807   5.842
  697   1HD   PRO  86          2HD       PRO  86  -2.052  12.693   4.422
  698   2HD   PRO  86          1HD       PRO  86  -0.341  12.352   4.120
  699    H    ASN  87           H        ASN  87  -3.005   9.212   6.562
  700    HA   ASN  87           HA       ASN  87  -4.369  10.225   8.926
  701   1HB   ASN  87          2HB       ASN  87  -5.161  11.025   6.436
  702   2HB   ASN  87          1HB       ASN  87  -6.220   9.650   6.730
  703   1HD2  ASN  87          1HD2      ASN  87  -8.111  10.363   7.378
  704   2HD2  ASN  87          2HD2      ASN  87  -8.386  11.604   8.546
  705    H    LEU  88           H        LEU  88  -3.536   7.552   6.970
  706    HA   LEU  88           HA       LEU  88  -3.713   5.321   7.422
  707   1HB   LEU  88          2HB       LEU  88  -3.920   6.110   9.861
  708   2HB   LEU  88          1HB       LEU  88  -5.645   5.908   9.648
  709    HG   LEU  88           HG       LEU  88  -4.998   3.494   8.885
  710   1HD1  LEU  88          1HD1      LEU  88  -3.016   2.700  10.229
  711   2HD1  LEU  88          2HD1      LEU  88  -2.565   4.397  10.402
  712   3HD1  LEU  88          3HD1      LEU  88  -2.644   3.663   8.798
  713   1HD2  LEU  88          1HD2      LEU  88  -6.017   4.553  11.158
  714   2HD2  LEU  88          2HD2      LEU  88  -4.582   3.741  11.785
  715   3HD2  LEU  88          3HD2      LEU  88  -5.789   2.826  10.881
  716    HA   PRO  89           HA       PRO  89  -7.773   5.669   5.200
  717   1HB   PRO  89          2HB       PRO  89  -6.887   4.763   2.811
  718   2HB   PRO  89          1HB       PRO  89  -6.796   6.463   3.282
  719   1HG   PRO  89          2HG       PRO  89  -4.662   4.372   3.320
  720   2HG   PRO  89          1HG       PRO  89  -4.556   6.071   2.830
  721   1HD   PRO  89          2HD       PRO  89  -3.725   5.141   5.244
  722   2HD   PRO  89          1HD       PRO  89  -4.304   6.793   4.986
  723    H    VAL  90           H        VAL  90  -6.392   3.472   6.826
  724    HA   VAL  90           HA       VAL  90  -6.997   1.350   7.407
  725    HB   VAL  90           HB       VAL  90  -8.680   1.366   4.924
  726   1HG1  VAL  90          1HG1      VAL  90  -8.844  -0.820   5.441
  727   2HG1  VAL  90          2HG1      VAL  90  -9.939  -0.260   6.705
  728   3HG1  VAL  90          3HG1      VAL  90  -8.245  -0.576   7.081
  729   1HG2  VAL  90          1HG2      VAL  90 -10.134   1.666   7.399
  730   2HG2  VAL  90          2HG2      VAL  90 -10.171   2.666   5.947
  731   3HG2  VAL  90          3HG2      VAL  90  -8.956   2.965   7.191
  732    H    ASN  91           H        ASN  91  -5.175   2.233   4.909
  733    HA   ASN  91           HA       ASN  91  -3.827   1.211   3.369
  734   1HB   ASN  91          2HB       ASN  91  -2.448  -0.564   4.297
  735   2HB   ASN  91          1HB       ASN  91  -2.726   0.679   5.506
  736   1HD2  ASN  91          1HD2      ASN  91  -2.992  -2.601   4.739
  737   2HD2  ASN  91          2HD2      ASN  91  -3.821  -3.116   6.163
  738    H    LEU  92           H        LEU  92  -6.095   0.771   2.296
  739    HA   LEU  92           HA       LEU  92  -6.483  -2.119   1.971
  740   1HB   LEU  92          2HB       LEU  92  -8.448  -1.191   0.471
  741   2HB   LEU  92          1HB       LEU  92  -8.609  -1.349   2.211
  742    HG   LEU  92           HG       LEU  92  -7.601   1.251   1.738
  743   1HD1  LEU  92          1HD1      LEU  92  -8.232   1.393  -0.471
  744   2HD1  LEU  92          2HD1      LEU  92  -9.652   2.024   0.359
  745   3HD1  LEU  92          3HD1      LEU  92  -9.646   0.367  -0.246
  746   1HD2  LEU  92          1HD2      LEU  92  -9.392   1.892   3.016
  747   2HD2  LEU  92          2HD2      LEU  92  -9.302   0.181   3.435
  748   3HD2  LEU  92          3HD2      LEU  92 -10.487   0.740   2.252
  749    H    TRP  93           H        TRP  93  -6.212  -3.140   0.062
  750    HA   TRP  93           HA       TRP  93  -4.545  -1.802  -1.891
  751   1HB   TRP  93          2HB       TRP  93  -4.951  -4.480  -1.002
  752   2HB   TRP  93          1HB       TRP  93  -5.316  -4.427  -2.721
  753    HD1  TRP  93           HD       TRP  93  -3.182  -5.798  -3.401
  754    HE1  TRP  93           1HE      TRP  93  -0.681  -5.217  -3.502
  755    HE3  TRP  93           3HE      TRP  93  -3.215  -1.474  -0.652
  756    HZ2  TRP  93           2HZ      TRP  93   1.035  -3.216  -2.576
  757    HZ3  TRP  93           3HZ      TRP  93  -1.086  -0.288  -0.320
  758    HH2  TRP  93           HH       TRP  93   0.994  -1.144  -1.256
  759    H    GLY  94           H        GLY  94  -5.260  -2.952  -4.255
  760   1HA   GLY  94          2HA       GLY  94  -7.913  -1.741  -4.693
  761   2HA   GLY  94          1HA       GLY  94  -6.616  -1.750  -5.874
  762    H    ARG  95           H        ARG  95  -9.381  -2.713  -6.108
  763    HA   ARG  95           HA       ARG  95  -9.731  -5.425  -5.927
  764   1HB   ARG  95          2HB       ARG  95 -11.425  -3.748  -6.684
  765   2HB   ARG  95          1HB       ARG  95 -10.655  -3.745  -8.260
  766   1HG   ARG  95          2HG       ARG  95 -11.316  -5.930  -8.727
  767   2HG   ARG  95          1HG       ARG  95 -11.645  -6.287  -7.031
  768   1HD   ARG  95          2HD       ARG  95 -13.215  -4.396  -8.779
  769   2HD   ARG  95          1HD       ARG  95 -13.708  -6.023  -8.312
  770    HE   ARG  95           HE       ARG  95 -13.162  -4.192  -6.132
  771   1HH1  ARG  95          1HH1      ARG  95 -15.574  -5.611  -8.227
  772   2HH1  ARG  95          2HH1      ARG  95 -16.886  -5.258  -7.156
  773   1HH2  ARG  95          1HH2      ARG  95 -14.891  -3.727  -4.729
  774   2HH2  ARG  95          2HH2      ARG  95 -16.500  -4.187  -5.174
  775    H    ASP  96           H        ASP  96  -7.626  -3.723  -8.083
  776    HA   ASP  96           HA       ASP  96  -7.365  -5.805 -10.013
  777   1HB   ASP  96          2HB       ASP  96  -5.275  -4.508 -10.667
  778   2HB   ASP  96          1HB       ASP  96  -6.799  -3.634 -10.762
  779    H    LEU  97           H        LEU  97  -5.409  -4.787  -7.212
  780    HA   LEU  97           HA       LEU  97  -3.445  -6.810  -7.592
  781   1HB   LEU  97          2HB       LEU  97  -4.092  -5.209  -5.112
  782   2HB   LEU  97          1HB       LEU  97  -2.681  -6.222  -5.322
  783    HG   LEU  97           HG       LEU  97  -3.111  -3.477  -6.124
  784   1HD1  LEU  97          1HD1      LEU  97  -1.147  -3.619  -5.063
  785   2HD1  LEU  97          2HD1      LEU  97  -0.511  -4.069  -6.644
  786   3HD1  LEU  97          3HD1      LEU  97  -0.932  -5.322  -5.476
  787   1HD2  LEU  97          1HD2      LEU  97  -3.559  -4.228  -8.329
  788   2HD2  LEU  97          2HD2      LEU  97  -2.260  -5.418  -8.261
  789   3HD2  LEU  97          3HD2      LEU  97  -1.879  -3.699  -8.302
  790    H    LEU  98           H        LEU  98  -6.367  -6.599  -5.597
  791    HA   LEU  98           HA       LEU  98  -5.897  -9.062  -4.242
  792   1HB   LEU  98          2HB       LEU  98  -8.454  -7.507  -4.667
  793   2HB   LEU  98          1HB       LEU  98  -8.323  -8.925  -3.647
  794    HG   LEU  98           HG       LEU  98  -8.157  -7.260  -2.080
  795   1HD1  LEU  98          1HD1      LEU  98  -5.258  -7.175  -2.779
  796   2HD1  LEU  98          2HD1      LEU  98  -5.995  -8.700  -2.288
  797   3HD1  LEU  98          3HD1      LEU  98  -6.031  -7.312  -1.200
  798   1HD2  LEU  98          1HD2      LEU  98  -6.395  -5.566  -3.812
  799   2HD2  LEU  98          2HD2      LEU  98  -7.346  -5.090  -2.405
  800   3HD2  LEU  98          3HD2      LEU  98  -8.153  -5.500  -3.919
  801    H    SER  99           H        SER  99  -7.903  -8.146  -7.025
  802    HA   SER  99           HA       SER  99  -9.126 -10.539  -7.591
  803   1HB   SER  99          2HB       SER  99  -9.627  -8.529  -8.859
  804   2HB   SER  99          1HB       SER  99  -8.002  -8.519  -9.542
  805    HG   SER  99           HG       SER  99  -8.755  -9.770 -11.040
  806    H    GLN 100           H        GLN 100  -5.936  -9.453  -8.713
  807    HA   GLN 100           HA       GLN 100  -5.310 -11.916 -10.017
  808   1HB   GLN 100          2HB       GLN 100  -3.694  -9.524  -9.193
  809   2HB   GLN 100          1HB       GLN 100  -2.955 -10.918  -9.966
  810   1HG   GLN 100          2HG       GLN 100  -4.448 -10.604 -11.898
  811   2HG   GLN 100          1HG       GLN 100  -5.112  -9.166 -11.125
  812   1HE2  GLN 100          1HE2      GLN 100  -3.895  -7.298 -11.039
  813   2HE2  GLN 100          2HE2      GLN 100  -2.456  -7.079 -11.968
  814    H    MET 101           H        MET 101  -4.633 -10.514  -6.868
  815    HA   MET 101           HA       MET 101  -2.655 -12.026  -5.828
  816   1HB   MET 101          2HB       MET 101  -4.662 -10.401  -4.793
  817   2HB   MET 101          1HB       MET 101  -4.856 -11.919  -3.934
  818   1HG   MET 101          2HG       MET 101  -2.629 -11.834  -3.118
  819   2HG   MET 101          1HG       MET 101  -2.231 -10.483  -4.178
  820   1HE   MET 101          1HE       MET 101  -1.921  -8.210  -3.139
  821   2HE   MET 101          2HE       MET 101  -3.308  -7.413  -2.397
  822   3HE   MET 101          3HE       MET 101  -3.458  -8.130  -4.003
  823    H    LYS 102           H        LYS 102  -6.077 -12.985  -5.481
  824    HA   LYS 102           HA       LYS 102  -5.613 -15.672  -6.233
  825   1HB   LYS 102          2HB       LYS 102  -4.436 -15.611  -4.016
  826   2HB   LYS 102          1HB       LYS 102  -5.989 -15.269  -3.265
  827   1HG   LYS 102          2HG       LYS 102  -6.203 -17.470  -3.048
  828   2HG   LYS 102          1HG       LYS 102  -6.516 -17.499  -4.785
  829   1HD   LYS 102          2HD       LYS 102  -3.876 -17.539  -4.901
  830   2HD   LYS 102          1HD       LYS 102  -4.049 -18.215  -3.280
  831   1HE   LYS 102          2HE       LYS 102  -5.747 -19.338  -5.443
  832   2HE   LYS 102          1HE       LYS 102  -4.030 -19.738  -5.456
  833   1HZ   LYS 102          1HZ       LYS 102  -4.202 -20.946  -3.559
  834   2HZ   LYS 102          2HZ       LYS 102  -5.781 -21.162  -4.124
  835   3HZ   LYS 102          3HZ       LYS 102  -5.464 -20.014  -2.924
  836    H    ILE 103           H        ILE 103  -7.520 -13.552  -6.710
  837    HA   ILE 103           HA       ILE 103  -9.964 -14.741  -5.563
  838    HB   ILE 103           HB       ILE 103  -9.371 -11.988  -6.599
  839   1HG1  ILE 103          2HG1      ILE 103 -10.263 -11.291  -4.454
  840   2HG1  ILE 103          1HG1      ILE 103 -10.745 -12.943  -4.082
  841   1HG2  ILE 103          1HG2      ILE 103 -12.087 -13.244  -6.275
  842   2HG2  ILE 103          2HG2      ILE 103 -11.406 -12.501  -7.722
  843   3HG2  ILE 103          3HG2      ILE 103 -11.820 -11.501  -6.329
  844   1HD1  ILE 103          1HD1      ILE 103  -8.644 -13.573  -3.522
  845   2HD1  ILE 103          2HD1      ILE 103  -8.524 -11.856  -3.137
  846   3HD1  ILE 103          3HD1      ILE 103  -7.884 -12.464  -4.663
  847    H    MET 104           H        MET 104  -9.092 -13.068  -8.598
  848    HA   MET 104           HA       MET 104 -11.086 -14.311 -10.138
  849   1HB   MET 104          2HB       MET 104  -9.624 -12.214 -10.636
  850   2HB   MET 104          1HB       MET 104  -8.496 -13.370 -11.329
  851   1HG   MET 104          2HG       MET 104  -9.852 -13.856 -13.089
  852   2HG   MET 104          1HG       MET 104 -11.329 -13.514 -12.191
  853   1HE   MET 104          1HE       MET 104  -8.167 -11.470 -12.326
  854   2HE   MET 104          2HE       MET 104  -8.553 -10.047 -13.292
  855   3HE   MET 104          3HE       MET 104  -8.216 -11.584 -14.085
  856    H    MET 105           H        MET 105 -10.864 -15.902 -11.816
  857    HA   MET 105           HA       MET 105  -9.188 -18.110 -10.990
  858   1HB   MET 105          2HB       MET 105 -11.674 -18.114 -11.891
  859   2HB   MET 105          1HB       MET 105 -10.873 -18.211 -13.452
  860   1HG   MET 105          2HG       MET 105 -10.318 -20.349 -13.169
  861   2HG   MET 105          1HG       MET 105  -9.815 -20.095 -11.498
  862   1HE   MET 105          1HE       MET 105 -10.656 -21.016  -9.781
  863   2HE   MET 105          2HE       MET 105 -12.184 -21.868  -9.558
  864   3HE   MET 105          3HE       MET 105 -12.111 -20.119  -9.343
  865    H    ALA 106           H        ALA 106  -7.133 -17.132 -11.499
  866    HA   ALA 106           HA       ALA 106  -6.551 -16.946 -14.375
  867   1HB   ALA 106          1HB       ALA 106  -5.486 -15.593 -11.980
  868   2HB   ALA 106          2HB       ALA 106  -5.706 -14.992 -13.623
  869   3HB   ALA 106          3HB       ALA 106  -4.310 -15.997 -13.232
  870    H    SER 107           H        SER 107  -5.142 -18.298 -15.344
  871    HA   SER 107           HA       SER 107  -3.798 -20.295 -13.641
  872   1HB   SER 107          2HB       SER 107  -5.457 -20.589 -16.063
  873   2HB   SER 107          1HB       SER 107  -3.965 -21.530 -16.069
  874    HG   SER 107           HG       SER 107  -6.225 -21.792 -14.496
  Start of MODEL    8
    1   1H    TRP   1          1HT       TRP   1   1.304 -17.417  -1.664
    2   2H    TRP   1          2HT       TRP   1   1.943 -17.935  -3.170
    3   3H    TRP   1          3HT       TRP   1   2.988 -17.681  -1.835
    4    HA   TRP   1           HA       TRP   1   0.874 -19.713  -2.045
    5   1HB   TRP   1          2HB       TRP   1   3.372 -19.675  -3.206
    6   2HB   TRP   1          1HB       TRP   1   3.660 -20.548  -1.705
    7    HD1  TRP   1           HD       TRP   1   1.455 -20.751  -4.870
    8    HE1  TRP   1           1HE      TRP   1   0.813 -23.214  -5.244
    9    HE3  TRP   1           3HE      TRP   1   3.468 -22.768  -0.624
   10    HZ2  TRP   1           2HZ      TRP   1   1.119 -25.686  -3.916
   11    HZ3  TRP   1           3HZ      TRP   1   3.248 -25.190  -0.252
   12    HH2  TRP   1           HH       TRP   1   2.097 -26.617  -1.864
   13    H    VAL   2           H        VAL   2   3.462 -18.232  -0.097
   14    HA   VAL   2           HA       VAL   2   2.495 -19.794   2.198
   15    HB   VAL   2           HB       VAL   2   5.080 -18.261   1.872
   16   1HG1  VAL   2          1HG1      VAL   2   4.795 -18.120   4.137
   17   2HG1  VAL   2          2HG1      VAL   2   5.557 -19.706   4.029
   18   3HG1  VAL   2          3HG1      VAL   2   3.809 -19.580   4.218
   19   1HG2  VAL   2          1HG2      VAL   2   4.468 -20.676   0.806
   20   2HG2  VAL   2          2HG2      VAL   2   5.108 -21.159   2.377
   21   3HG2  VAL   2          3HG2      VAL   2   6.093 -20.185   1.284
   22    H    GLN   3           H        GLN   3   0.728 -18.575   2.672
   23    HA   GLN   3           HA       GLN   3   1.172 -16.110   4.094
   24   1HB   GLN   3          2HB       GLN   3  -1.024 -15.282   3.149
   25   2HB   GLN   3          1HB       GLN   3   0.314 -15.313   2.015
   26   1HG   GLN   3          2HG       GLN   3  -1.687 -17.540   2.210
   27   2HG   GLN   3          1HG       GLN   3  -1.921 -16.136   1.173
   28   1HE2  GLN   3          1HE2      GLN   3  -1.836 -18.687   0.156
   29   2HE2  GLN   3          2HE2      GLN   3  -0.405 -18.880  -0.794
   30    HA   PRO   4           HA       PRO   4  -1.076 -19.386   6.572
   31   1HB   PRO   4          2HB       PRO   4   0.054 -17.596   8.675
   32   2HB   PRO   4          1HB       PRO   4  -0.016 -19.362   8.618
   33   1HG   PRO   4          2HG       PRO   4   2.269 -18.106   8.130
   34   2HG   PRO   4          1HG       PRO   4   1.796 -19.518   7.165
   35   1HD   PRO   4          2HD       PRO   4   1.698 -16.622   6.458
   36   2HD   PRO   4          1HD       PRO   4   2.116 -18.011   5.440
   37    H    ILE   5           H        ILE   5  -3.064 -18.529   5.811
   38    HA   ILE   5           HA       ILE   5  -4.178 -16.386   7.500
   39    HB   ILE   5           HB       ILE   5  -4.024 -15.690   5.161
   40   1HG1  ILE   5          2HG1      ILE   5  -6.915 -16.272   5.803
   41   2HG1  ILE   5          1HG1      ILE   5  -5.979 -15.039   6.643
   42   1HG2  ILE   5          1HG2      ILE   5  -4.248 -18.115   4.330
   43   2HG2  ILE   5          2HG2      ILE   5  -4.969 -16.828   3.365
   44   3HG2  ILE   5          3HG2      ILE   5  -5.986 -17.824   4.406
   45   1HD1  ILE   5          1HD1      ILE   5  -5.893 -14.864   3.721
   46   2HD1  ILE   5          2HD1      ILE   5  -6.115 -13.604   4.934
   47   3HD1  ILE   5          3HD1      ILE   5  -7.482 -14.603   4.439
   48    H    THR   6           H        THR   6  -5.365 -17.342   9.034
   49    HA   THR   6           HA       THR   6  -6.658 -19.860   8.679
   50    HB   THR   6           HB       THR   6  -7.807 -19.065  10.906
   51    HG1  THR   6           1HG      THR   6  -6.704 -17.430  11.926
   52   1HG2  THR   6          1HG2      THR   6  -4.828 -19.483  10.820
   53   2HG2  THR   6          2HG2      THR   6  -6.045 -20.760  10.835
   54   3HG2  THR   6          3HG2      THR   6  -5.878 -19.685  12.224
   55    H    ALA   7           H        ALA   7  -8.323 -20.037   7.316
   56    HA   ALA   7           HA       ALA   7 -10.353 -19.712   6.334
   57   1HB   ALA   7          1HB       ALA   7 -11.246 -19.840   8.573
   58   2HB   ALA   7          2HB       ALA   7 -12.106 -18.590   7.676
   59   3HB   ALA   7          3HB       ALA   7 -10.875 -18.139   8.855
   60    H    GLN   8           H        GLN   8 -11.858 -17.950   5.474
   61    HA   GLN   8           HA       GLN   8 -10.333 -16.061   4.068
   62   1HB   GLN   8          2HB       GLN   8 -13.076 -16.911   4.161
   63   2HB   GLN   8          1HB       GLN   8 -13.013 -15.154   4.115
   64   1HG   GLN   8          2HG       GLN   8 -12.829 -15.363   1.914
   65   2HG   GLN   8          1HG       GLN   8 -11.172 -15.886   2.212
   66   1HE2  GLN   8          1HE2      GLN   8 -14.275 -16.778   1.119
   67   2HE2  GLN   8          2HE2      GLN   8 -13.930 -18.434   0.762
   68    H    LYS   9           H        LYS   9  -9.136 -14.825   5.484
   69    HA   LYS   9           HA       LYS   9 -10.663 -12.755   6.905
   70   1HB   LYS   9          2HB       LYS   9  -8.287 -14.324   7.897
   71   2HB   LYS   9          1HB       LYS   9  -8.722 -12.764   8.579
   72   1HG   LYS   9          2HG       LYS   9 -10.722 -14.985   8.419
   73   2HG   LYS   9          1HG       LYS   9  -9.557 -14.892   9.742
   74   1HD   LYS   9          2HD       LYS   9 -10.391 -12.765  10.428
   75   2HD   LYS   9          1HD       LYS   9 -11.389 -12.627   8.979
   76   1HE   LYS   9          2HE       LYS   9 -11.847 -15.004  10.672
   77   2HE   LYS   9          1HE       LYS   9 -12.331 -13.453  11.354
   78   1HZ   LYS   9          1HZ       LYS   9 -13.132 -14.011   8.602
   79   2HZ   LYS   9          2HZ       LYS   9 -13.960 -13.186   9.824
   80   3HZ   LYS   9          3HZ       LYS   9 -13.924 -14.875   9.823
   81    HA   PRO  10           HA       PRO  10  -7.869  -9.971   4.924
   82   1HB   PRO  10          2HB       PRO  10  -7.753  -8.042   6.991
   83   2HB   PRO  10          1HB       PRO  10  -8.904  -8.108   5.659
   84   1HG   PRO  10          2HG       PRO  10  -9.497  -8.475   8.369
   85   2HG   PRO  10          1HG       PRO  10 -10.548  -8.887   7.005
   86   1HD   PRO  10          2HD       PRO  10  -8.788 -10.643   8.646
   87   2HD   PRO  10          1HD       PRO  10 -10.345 -11.006   7.871
   88    H    SER  11           H        SER  11  -6.340 -12.007   6.071
   89    HA   SER  11           HA       SER  11  -3.894 -10.556   6.612
   90   1HB   SER  11          2HB       SER  11  -3.459 -12.108   8.638
   91   2HB   SER  11          1HB       SER  11  -4.504 -10.706   8.867
   92    HG   SER  11           HG       SER  11  -5.605 -12.384   9.736
   93    H    LEU  12           H        LEU  12  -2.583 -11.411   5.134
   94    HA   LEU  12           HA       LEU  12  -2.187 -14.300   5.123
   95   1HB   LEU  12          2HB       LEU  12  -2.932 -14.684   3.052
   96   2HB   LEU  12          1HB       LEU  12  -3.759 -13.149   3.194
   97    HG   LEU  12           HG       LEU  12  -1.020 -13.496   1.971
   98   1HD1  LEU  12          1HD1      LEU  12  -2.140 -14.398   0.259
   99   2HD1  LEU  12          2HD1      LEU  12  -2.713 -12.759  -0.043
  100   3HD1  LEU  12          3HD1      LEU  12  -3.705 -13.881   0.886
  101   1HD2  LEU  12          1HD2      LEU  12  -2.576 -11.189   2.756
  102   2HD2  LEU  12          2HD2      LEU  12  -2.233 -11.180   1.025
  103   3HD2  LEU  12          3HD2      LEU  12  -0.911 -11.284   2.184
  104    H    THR  13           H        THR  13  -0.060 -14.879   4.792
  105    HA   THR  13           HA       THR  13   1.795 -12.712   4.835
  106    HB   THR  13           HB       THR  13   2.402 -15.638   4.989
  107    HG1  THR  13           1HG      THR  13   2.215 -13.724   7.068
  108   1HG2  THR  13          1HG2      THR  13   4.329 -14.183   4.360
  109   2HG2  THR  13          2HG2      THR  13   4.517 -15.065   5.876
  110   3HG2  THR  13          3HG2      THR  13   4.112 -13.348   5.900
  111    H    LEU  14           H        LEU  14   2.563 -11.754   3.182
  112    HA   LEU  14           HA       LEU  14   3.638 -13.291   0.952
  113   1HB   LEU  14          2HB       LEU  14   1.882 -10.880   0.504
  114   2HB   LEU  14          1HB       LEU  14   2.655 -11.853  -0.725
  115    HG   LEU  14           HG       LEU  14   0.387 -12.709   1.069
  116   1HD1  LEU  14          1HD1      LEU  14  -0.722 -11.493  -0.489
  117   2HD1  LEU  14          2HD1      LEU  14  -0.553 -12.983  -1.418
  118   3HD1  LEU  14          3HD1      LEU  14   0.565 -11.646  -1.683
  119   1HD2  LEU  14          1HD2      LEU  14   0.500 -14.824   0.285
  120   2HD2  LEU  14          2HD2      LEU  14   2.215 -14.431   0.202
  121   3HD2  LEU  14          3HD2      LEU  14   1.216 -14.341  -1.245
  122    H    TRP  15           H        TRP  15   5.120 -11.861  -0.384
  123    HA   TRP  15           HA       TRP  15   6.352  -9.964   1.464
  124   1HB   TRP  15          2HB       TRP  15   8.401 -10.543   0.705
  125   2HB   TRP  15          1HB       TRP  15   7.548 -12.024   0.329
  126    HD1  TRP  15           HD       TRP  15   6.291 -10.430  -2.477
  127    HE1  TRP  15           1HE      TRP  15   7.894 -10.466  -4.486
  128    HE3  TRP  15           3HE      TRP  15  10.682 -11.468  -0.061
  129    HZ2  TRP  15           2HZ      TRP  15  10.620 -10.867  -5.006
  130    HZ3  TRP  15           3HZ      TRP  15  12.733 -11.662  -1.396
  131    HH2  TRP  15           HH       TRP  15  12.706 -11.371  -3.814
  132    H    LEU  16           H        LEU  16   7.017  -7.962   0.909
  133    HA   LEU  16           HA       LEU  16   5.954  -6.866  -1.606
  134   1HB   LEU  16          2HB       LEU  16   5.392  -4.788  -0.220
  135   2HB   LEU  16          1HB       LEU  16   4.321  -6.171  -0.103
  136    HG   LEU  16           HG       LEU  16   6.136  -6.586   1.954
  137   1HD1  LEU  16          1HD1      LEU  16   5.872  -3.714   1.391
  138   2HD1  LEU  16          2HD1      LEU  16   7.117  -4.591   2.279
  139   3HD1  LEU  16          3HD1      LEU  16   5.591  -4.187   3.067
  140   1HD2  LEU  16          1HD2      LEU  16   3.685  -6.958   1.943
  141   2HD2  LEU  16          2HD2      LEU  16   3.454  -5.222   2.141
  142   3HD2  LEU  16          3HD2      LEU  16   4.264  -6.153   3.401
  143    H    ASP  17           H        ASP  17   7.090  -5.154  -2.503
  144    HA   ASP  17           HA       ASP  17   8.896  -3.865  -3.005
  145   1HB   ASP  17          2HB       ASP  17   9.328  -3.939  -0.010
  146   2HB   ASP  17          1HB       ASP  17  10.197  -2.887  -1.124
  147    H    ASP  18           H        ASP  18  10.247  -5.669  -0.255
  148    HA   ASP  18           HA       ASP  18  11.674  -7.525  -1.863
  149   1HB   ASP  18          2HB       ASP  18  13.964  -6.685  -1.342
  150   2HB   ASP  18          1HB       ASP  18  13.063  -5.625  -2.422
  151    H    LYS  19           H        LYS  19   9.976  -7.634   0.388
  152    HA   LYS  19           HA       LYS  19  11.510  -9.323   2.090
  153   1HB   LYS  19          2HB       LYS  19  11.226  -8.072   4.180
  154   2HB   LYS  19          1HB       LYS  19  12.220  -7.182   3.032
  155   1HG   LYS  19          2HG       LYS  19   9.325  -6.600   2.995
  156   2HG   LYS  19          1HG       LYS  19  10.224  -6.073   4.418
  157   1HD   LYS  19          2HD       LYS  19  11.889  -5.273   2.432
  158   2HD   LYS  19          1HD       LYS  19  10.319  -5.091   1.648
  159   1HE   LYS  19          2HE       LYS  19   9.728  -3.950   3.976
  160   2HE   LYS  19          1HE       LYS  19  11.466  -3.650   3.976
  161   1HZ   LYS  19          1HZ       LYS  19   9.459  -2.277   2.576
  162   2HZ   LYS  19          2HZ       LYS  19  10.485  -3.001   1.443
  163   3HZ   LYS  19          3HZ       LYS  19  11.122  -1.958   2.613
  164    H    MET  20           H        MET  20  10.221 -10.648   3.352
  165    HA   MET  20           HA       MET  20   7.495 -10.854   2.551
  166   1HB   MET  20          2HB       MET  20   9.410 -12.535   3.767
  167   2HB   MET  20          1HB       MET  20   8.044 -12.437   4.869
  168   1HG   MET  20          2HG       MET  20   7.064 -13.998   3.651
  169   2HG   MET  20          1HG       MET  20   6.881 -12.790   2.382
  170   1HE   MET  20          1HE       MET  20   6.736 -13.877   0.597
  171   2HE   MET  20          2HE       MET  20   7.439 -15.457   0.250
  172   3HE   MET  20          3HE       MET  20   8.192 -13.997  -0.393
  173    H    PHE  21           H        PHE  21   5.625 -10.697   3.827
  174    HA   PHE  21           HA       PHE  21   5.634  -9.796   6.514
  175   1HB   PHE  21          2HB       PHE  21   5.953  -7.768   4.523
  176   2HB   PHE  21          1HB       PHE  21   4.360  -7.589   5.249
  177    HD1  PHE  21           1HD      PHE  21   7.174  -6.001   5.403
  178    HD2  PHE  21           2HD      PHE  21   4.904  -8.484   8.009
  179    HE1  PHE  21           1HE      PHE  21   8.192  -4.886   7.347
  180    HE2  PHE  21           2HE      PHE  21   5.916  -7.372   9.958
  181    HZ   PHE  21           HZ       PHE  21   7.563  -5.570   9.627
  182    H    THR  22           H        THR  22   3.267  -8.724   6.921
  183    HA   THR  22           HA       THR  22   1.372 -10.505   5.533
  184    HB   THR  22           HB       THR  22   0.873  -9.488   8.305
  185    HG1  THR  22           1HG      THR  22   2.865 -10.436   8.519
  186   1HG2  THR  22          1HG2      THR  22  -0.963 -10.647   7.313
  187   2HG2  THR  22          2HG2      THR  22  -0.243 -11.684   8.545
  188   3HG2  THR  22          3HG2      THR  22   0.080 -11.989   6.839
  189    H    GLY  23           H        GLY  23  -0.363  -9.619   4.596
  190   1HA   GLY  23          2HA       GLY  23  -0.987  -6.801   5.233
  191   2HA   GLY  23          1HA       GLY  23  -0.963  -7.399   3.582
  192    H    LEU  24           H        LEU  24  -3.220  -6.349   3.867
  193    HA   LEU  24           HA       LEU  24  -5.078  -8.389   4.893
  194   1HB   LEU  24          2HB       LEU  24  -6.706  -6.286   4.646
  195   2HB   LEU  24          1HB       LEU  24  -5.803  -6.632   6.105
  196    HG   LEU  24           HG       LEU  24  -5.758  -4.249   5.476
  197   1HD1  LEU  24          1HD1      LEU  24  -3.651  -5.826   6.336
  198   2HD1  LEU  24          2HD1      LEU  24  -3.781  -4.073   6.463
  199   3HD1  LEU  24          3HD1      LEU  24  -2.948  -4.798   5.086
  200   1HD2  LEU  24          1HD2      LEU  24  -4.428  -5.302   2.999
  201   2HD2  LEU  24          2HD2      LEU  24  -4.235  -3.639   3.543
  202   3HD2  LEU  24          3HD2      LEU  24  -5.835  -4.251   3.128
  203    H    ILE  25           H        ILE  25  -6.714  -9.153   3.636
  204    HA   ILE  25           HA       ILE  25  -6.632  -8.373   0.796
  205    HB   ILE  25           HB       ILE  25  -7.749 -10.983   1.770
  206   1HG1  ILE  25          2HG1      ILE  25  -5.460 -10.835   2.654
  207   2HG1  ILE  25          1HG1      ILE  25  -5.569 -12.033   1.367
  208   1HG2  ILE  25          1HG2      ILE  25  -7.750 -11.613  -0.411
  209   2HG2  ILE  25          2HG2      ILE  25  -6.328 -10.647  -0.806
  210   3HG2  ILE  25          3HG2      ILE  25  -7.903  -9.870  -0.636
  211   1HD1  ILE  25          1HD1      ILE  25  -4.022 -10.989   0.178
  212   2HD1  ILE  25          2HD1      ILE  25  -3.745  -9.958   1.580
  213   3HD1  ILE  25          3HD1      ILE  25  -4.863  -9.445   0.317
  214    H    ASN  26           H        ASN  26  -8.332  -7.226   0.150
  215    HA   ASN  26           HA       ASN  26 -10.946  -7.777   1.397
  216   1HB   ASN  26          2HB       ASN  26 -11.478  -5.355   0.785
  217   2HB   ASN  26          1HB       ASN  26 -10.358  -5.604   2.121
  218   1HD2  ASN  26          1HD2      ASN  26  -9.775  -3.374   1.636
  219   2HD2  ASN  26          2HD2      ASN  26  -8.596  -3.068   0.412
  220    H    THR  27           H        THR  27 -12.250  -8.765   0.025
  221    HA   THR  27           HA       THR  27 -11.804  -8.779  -2.795
  222    HB   THR  27           HB       THR  27 -12.707 -10.725  -1.601
  223    HG1  THR  27           1HG      THR  27 -13.391 -11.038  -3.560
  224   1HG2  THR  27          1HG2      THR  27 -14.774 -10.850  -0.605
  225   2HG2  THR  27          2HG2      THR  27 -15.374  -9.407  -1.424
  226   3HG2  THR  27          3HG2      THR  27 -14.217  -9.254  -0.101
  227    H    GLY  28           H        GLY  28 -12.911  -6.301  -1.071
  228   1HA   GLY  28          2HA       GLY  28 -14.848  -5.517  -3.155
  229   2HA   GLY  28          1HA       GLY  28 -15.080  -5.105  -1.462
  230    H    ALA  29           H        ALA  29 -11.904  -5.035  -2.854
  231    HA   ALA  29           HA       ALA  29 -11.478  -2.336  -2.125
  232   1HB   ALA  29          1HB       ALA  29  -9.499  -3.455  -2.131
  233   2HB   ALA  29          2HB       ALA  29  -9.419  -2.768  -3.754
  234   3HB   ALA  29          3HB       ALA  29  -9.931  -4.441  -3.529
  235    H    ASP  30           H        ASP  30 -10.947  -0.568  -3.531
  236    HA   ASP  30           HA       ASP  30 -12.093  -0.725  -6.232
  237   1HB   ASP  30          2HB       ASP  30 -13.099   1.525  -5.901
  238   2HB   ASP  30          1HB       ASP  30 -13.802   0.302  -4.845
  239    H    VAL  31           H        VAL  31 -10.136   1.122  -3.949
  240    HA   VAL  31           HA       VAL  31  -8.156   1.619  -6.017
  241    HB   VAL  31           HB       VAL  31  -9.606   3.590  -6.180
  242   1HG1  VAL  31          1HG1      VAL  31 -10.301   3.359  -3.701
  243   2HG1  VAL  31          2HG1      VAL  31 -10.182   4.970  -4.409
  244   3HG1  VAL  31          3HG1      VAL  31  -8.885   4.360  -3.381
  245   1HG2  VAL  31          1HG2      VAL  31  -6.803   3.722  -5.318
  246   2HG2  VAL  31          2HG2      VAL  31  -7.690   5.239  -5.177
  247   3HG2  VAL  31          3HG2      VAL  31  -7.591   4.416  -6.734
  248    H    THR  32           H        THR  32  -6.506   0.612  -5.011
  249    HA   THR  32           HA       THR  32  -6.112   0.192  -2.344
  250    HB   THR  32           HB       THR  32  -4.710  -1.002  -3.773
  251    HG1  THR  32           1HG      THR  32  -3.588  -0.338  -1.917
  252   1HG2  THR  32          1HG2      THR  32  -4.469   0.032  -5.771
  253   2HG2  THR  32          2HG2      THR  32  -2.887   0.359  -5.067
  254   3HG2  THR  32          3HG2      THR  32  -4.136   1.604  -5.047
  255    H    ILE  33           H        ILE  33  -5.568   1.300  -0.654
  256    HA   ILE  33           HA       ILE  33  -4.120   3.838  -0.922
  257    HB   ILE  33           HB       ILE  33  -6.375   3.656   1.049
  258   1HG1  ILE  33          2HG1      ILE  33  -7.363   3.245  -1.167
  259   2HG1  ILE  33          1HG1      ILE  33  -7.846   4.810  -0.525
  260   1HG2  ILE  33          1HG2      ILE  33  -6.155   5.967   1.224
  261   2HG2  ILE  33          2HG2      ILE  33  -5.317   6.100  -0.323
  262   3HG2  ILE  33          3HG2      ILE  33  -4.491   5.402   1.069
  263   1HD1  ILE  33          1HD1      ILE  33  -6.906   4.371  -3.035
  264   2HD1  ILE  33          2HD1      ILE  33  -5.452   4.903  -2.192
  265   3HD1  ILE  33          3HD1      ILE  33  -6.889   5.924  -2.202
  266    H    ILE  34           H        ILE  34  -2.300   3.517   0.187
  267    HA   ILE  34           HA       ILE  34  -2.463   2.085   2.757
  268    HB   ILE  34           HB       ILE  34  -0.946   1.269   0.702
  269   1HG1  ILE  34          2HG1      ILE  34   0.698   0.581   2.764
  270   2HG1  ILE  34          1HG1      ILE  34  -0.756   1.058   3.636
  271   1HG2  ILE  34          1HG2      ILE  34   0.333   3.371   0.616
  272   2HG2  ILE  34          2HG2      ILE  34   1.358   1.979   0.966
  273   3HG2  ILE  34          3HG2      ILE  34   0.888   3.079   2.265
  274   1HD1  ILE  34          1HD1      ILE  34  -1.250  -1.117   3.325
  275   2HD1  ILE  34          2HD1      ILE  34  -0.275  -1.245   1.862
  276   3HD1  ILE  34          3HD1      ILE  34  -1.873  -0.503   1.793
  277    H    LYS  35           H        LYS  35  -1.916   3.191   4.536
  278    HA   LYS  35           HA       LYS  35  -1.573   5.943   4.492
  279   1HB   LYS  35          2HB       LYS  35  -0.664   5.446   6.935
  280   2HB   LYS  35          1HB       LYS  35  -2.353   5.289   6.514
  281   1HG   LYS  35          2HG       LYS  35  -1.440   3.440   7.903
  282   2HG   LYS  35          1HG       LYS  35  -2.220   2.935   6.406
  283   1HD   LYS  35          2HD       LYS  35  -0.035   2.686   5.344
  284   2HD   LYS  35          1HD       LYS  35   0.754   3.229   6.827
  285   1HE   LYS  35          2HE       LYS  35   0.848   1.076   7.405
  286   2HE   LYS  35          1HE       LYS  35  -0.890   1.191   7.688
  287   1HZ   LYS  35          1HZ       LYS  35  -1.292   0.435   5.448
  288   2HZ   LYS  35          2HZ       LYS  35  -0.299  -0.676   6.247
  289   3HZ   LYS  35          3HZ       LYS  35   0.367   0.391   5.117
  290    H    LEU  36           H        LEU  36   0.198   7.162   5.488
  291    HA   LEU  36           HA       LEU  36   2.571   6.816   4.001
  292   1HB   LEU  36          2HB       LEU  36   1.384   8.853   5.430
  293   2HB   LEU  36          1HB       LEU  36   2.825   8.500   6.366
  294    HG   LEU  36           HG       LEU  36   2.850   9.088   3.408
  295   1HD1  LEU  36          1HD1      LEU  36   3.608  10.964   5.631
  296   2HD1  LEU  36          2HD1      LEU  36   2.039  10.990   4.828
  297   3HD1  LEU  36          3HD1      LEU  36   3.506  11.309   3.906
  298   1HD2  LEU  36          1HD2      LEU  36   4.844   8.259   5.370
  299   2HD2  LEU  36          2HD2      LEU  36   5.306   9.688   4.447
  300   3HD2  LEU  36          3HD2      LEU  36   4.884   8.195   3.609
  301    H    GLU  37           H        GLU  37   1.588   5.731   7.136
  302    HA   GLU  37           HA       GLU  37   4.051   5.367   8.388
  303   1HB   GLU  37          2HB       GLU  37   1.518   3.736   8.615
  304   2HB   GLU  37          1HB       GLU  37   2.888   3.597   9.709
  305   1HG   GLU  37          2HG       GLU  37   2.538   5.723  10.606
  306   2HG   GLU  37          1HG       GLU  37   1.504   6.216   9.266
  307    H    ASP  38           H        ASP  38   2.717   3.694   5.697
  308    HA   ASP  38           HA       ASP  38   4.709   1.551   6.013
  309   1HB   ASP  38          2HB       ASP  38   1.933   1.529   5.216
  310   2HB   ASP  38          1HB       ASP  38   2.943   0.821   3.960
  311    H    TRP  39           H        TRP  39   5.071   4.308   4.837
  312    HA   TRP  39           HA       TRP  39   5.681   3.587   2.066
  313   1HB   TRP  39          2HB       TRP  39   4.787   5.624   1.729
  314   2HB   TRP  39          1HB       TRP  39   4.960   6.078   3.418
  315    HD1  TRP  39           HD       TRP  39   6.697   6.355   0.042
  316    HE1  TRP  39           1HE      TRP  39   8.635   8.030   0.226
  317    HE3  TRP  39           3HE      TRP  39   6.673   7.073   5.105
  318    HZ2  TRP  39           2HZ      TRP  39   9.976   9.479   2.247
  319    HZ3  TRP  39           3HZ      TRP  39   8.317   8.620   6.083
  320    HH2  TRP  39           HH       TRP  39   9.934   9.798   4.682
  321    HA   PRO  40           HA       PRO  40  10.000   3.146   2.906
  322   1HB   PRO  40          2HB       PRO  40  11.022   3.647   0.458
  323   2HB   PRO  40          1HB       PRO  40  10.111   2.178   0.821
  324   1HG   PRO  40          2HG       PRO  40   9.167   4.703  -0.484
  325   2HG   PRO  40          1HG       PRO  40   8.888   3.023  -0.979
  326   1HD   PRO  40          2HD       PRO  40   7.038   4.434   0.381
  327   2HD   PRO  40          1HD       PRO  40   7.255   2.689   0.620
  328    HA   PRO  41           HA       PRO  41  11.267   7.405   3.647
  329   1HB   PRO  41          2HB       PRO  41  13.692   6.285   4.817
  330   2HB   PRO  41          1HB       PRO  41  12.382   7.165   5.606
  331   1HG   PRO  41          2HG       PRO  41  12.835   4.522   6.009
  332   2HG   PRO  41          1HG       PRO  41  11.223   5.253   6.110
  333   1HD   PRO  41          2HD       PRO  41  12.461   3.684   3.879
  334   2HD   PRO  41          1HD       PRO  41  10.801   3.630   4.514
  335    H    ASN  42           H        ASN  42  12.791   5.028   1.745
  336    HA   ASN  42           HA       ASN  42  15.237   6.082   1.061
  337   1HB   ASN  42          2HB       ASN  42  14.154   3.910   0.270
  338   2HB   ASN  42          1HB       ASN  42  13.365   4.878  -0.972
  339   1HD2  ASN  42          1HD2      ASN  42  16.217   3.301  -0.001
  340   2HD2  ASN  42          2HD2      ASN  42  17.199   3.737  -1.353
  341    H    TRP  43           H        TRP  43  12.082   6.865  -0.384
  342    HA   TRP  43           HA       TRP  43  13.312   9.308  -1.475
  343   1HB   TRP  43          2HB       TRP  43  11.971   9.158  -3.438
  344   2HB   TRP  43          1HB       TRP  43  12.690   7.570  -3.203
  345    HD1  TRP  43           HD       TRP  43   9.316   9.357  -2.531
  346    HE1  TRP  43           1HE      TRP  43   7.432   7.617  -2.745
  347    HE3  TRP  43           3HE      TRP  43  12.158   5.183  -3.316
  348    HZ2  TRP  43           2HZ      TRP  43   7.186   4.852  -3.191
  349    HZ3  TRP  43           3HZ      TRP  43  11.015   3.025  -3.627
  350    HH2  TRP  43           HH       TRP  43   8.578   2.871  -3.564
  351    HA   PRO  44           HA       PRO  44  10.259  11.454   0.921
  352   1HB   PRO  44          2HB       PRO  44  10.404  13.673  -0.963
  353   2HB   PRO  44          1HB       PRO  44  10.930  13.608   0.718
  354   1HG   PRO  44          2HG       PRO  44  12.667  13.743  -1.362
  355   2HG   PRO  44          1HG       PRO  44  13.052  12.940   0.169
  356   1HD   PRO  44          2HD       PRO  44  12.255  11.748  -2.453
  357   2HD   PRO  44          1HD       PRO  44  13.430  11.165  -1.256
  358    H    ILE  45           H        ILE  45   8.079  12.115   0.817
  359    HA   ILE  45           HA       ILE  45   6.791  11.758  -1.801
  360    HB   ILE  45           HB       ILE  45   4.848  10.728  -0.467
  361   1HG1  ILE  45          2HG1      ILE  45   6.331   9.257   1.368
  362   2HG1  ILE  45          1HG1      ILE  45   6.908  10.904   1.581
  363   1HG2  ILE  45          1HG2      ILE  45   5.965   8.452  -0.609
  364   2HG2  ILE  45          2HG2      ILE  45   7.404   9.319  -1.145
  365   3HG2  ILE  45          3HG2      ILE  45   5.914   9.417  -2.084
  366   1HD1  ILE  45          1HD1      ILE  45   4.301   9.718   2.204
  367   2HD1  ILE  45          2HD1      ILE  45   4.268  11.342   1.518
  368   3HD1  ILE  45          3HD1      ILE  45   5.181  11.027   2.992
  369    H    THR  46           H        THR  46   4.369  12.323  -1.570
  370    HA   THR  46           HA       THR  46   4.219  15.090  -0.973
  371    HB   THR  46           HB       THR  46   1.632  14.349  -1.408
  372    HG1  THR  46           1HG      THR  46   1.758  12.729  -3.021
  373   1HG2  THR  46          1HG2      THR  46   3.291  15.893  -2.718
  374   2HG2  THR  46          2HG2      THR  46   1.852  15.242  -3.502
  375   3HG2  THR  46          3HG2      THR  46   3.422  14.490  -3.775
  376    H    ASP  47           H        ASP  47   1.956  15.767   0.152
  377    HA   ASP  47           HA       ASP  47   0.968  14.423   2.347
  378   1HB   ASP  47          2HB       ASP  47   3.592  15.056   2.862
  379   2HB   ASP  47          1HB       ASP  47   2.720  16.416   3.573
  380    H    THR  48           H        THR  48   1.901  17.558   1.012
  381    HA   THR  48           HA       THR  48  -0.566  18.675   2.170
  382    HB   THR  48           HB       THR  48   1.234  19.594   3.439
  383    HG1  THR  48           1HG      THR  48   0.497  21.521   1.499
  384   1HG2  THR  48          1HG2      THR  48   2.493  20.590   0.901
  385   2HG2  THR  48          2HG2      THR  48   3.044  19.167   1.784
  386   3HG2  THR  48          3HG2      THR  48   3.102  20.756   2.548
  387    H    LEU  49           H        LEU  49  -1.952  19.099   0.629
  388    HA   LEU  49           HA       LEU  49  -0.997  20.487  -1.769
  389   1HB   LEU  49          2HB       LEU  49  -2.000  19.143  -3.261
  390   2HB   LEU  49          1HB       LEU  49  -1.817  17.971  -1.992
  391    HG   LEU  49           HG       LEU  49  -3.931  17.521  -2.631
  392   1HD1  LEU  49          1HD1      LEU  49  -3.715  18.683  -0.236
  393   2HD1  LEU  49          2HD1      LEU  49  -5.185  17.931  -0.850
  394   3HD1  LEU  49          3HD1      LEU  49  -4.968  19.678  -0.967
  395   1HD2  LEU  49          1HD2      LEU  49  -5.186  20.086  -2.915
  396   2HD2  LEU  49          2HD2      LEU  49  -5.059  18.762  -4.068
  397   3HD2  LEU  49          3HD2      LEU  49  -3.770  19.960  -3.956
  398    H    THR  50           H        THR  50  -3.134  21.391  -2.945
  399    HA   THR  50           HA       THR  50  -4.454  22.992  -0.877
  400    HB   THR  50           HB       THR  50  -2.931  24.283  -2.269
  401    HG1  THR  50           1HG      THR  50  -4.904  25.250  -1.562
  402   1HG2  THR  50          1HG2      THR  50  -3.344  24.673  -4.616
  403   2HG2  THR  50          2HG2      THR  50  -4.679  23.521  -4.596
  404   3HG2  THR  50          3HG2      THR  50  -3.026  22.964  -4.327
  405    H    ASN  51           H        ASN  51  -6.589  23.177  -0.779
  406    HA   ASN  51           HA       ASN  51  -8.214  22.225  -3.027
  407   1HB   ASN  51          2HB       ASN  51  -8.086  20.493  -1.187
  408   2HB   ASN  51          1HB       ASN  51  -8.888  21.654  -0.134
  409   1HD2  ASN  51          1HD2      ASN  51  -9.386  19.060  -2.045
  410   2HD2  ASN  51          2HD2      ASN  51 -11.050  19.296  -2.446
  411    H    LEU  52           H        LEU  52  -8.738  24.295  -3.662
  412    HA   LEU  52           HA       LEU  52  -9.778  26.091  -1.637
  413   1HB   LEU  52          2HB       LEU  52  -9.409  26.704  -4.553
  414   2HB   LEU  52          1HB       LEU  52  -9.627  27.834  -3.236
  415    HG   LEU  52           HG       LEU  52  -7.373  28.031  -3.634
  416   1HD1  LEU  52          1HD1      LEU  52  -6.898  25.757  -1.824
  417   2HD1  LEU  52          2HD1      LEU  52  -8.062  26.956  -1.264
  418   3HD1  LEU  52          3HD1      LEU  52  -6.420  27.448  -1.679
  419   1HD2  LEU  52          1HD2      LEU  52  -6.047  26.512  -4.651
  420   2HD2  LEU  52          2HD2      LEU  52  -7.611  25.870  -5.153
  421   3HD2  LEU  52          3HD2      LEU  52  -6.757  25.147  -3.790
  422    H    ARG  53           H        ARG  53 -11.764  26.757  -1.423
  423    HA   ARG  53           HA       ARG  53 -13.857  25.401  -2.905
  424   1HB   ARG  53          2HB       ARG  53 -13.884  27.126  -0.431
  425   2HB   ARG  53          1HB       ARG  53 -15.346  26.523  -1.195
  426   1HG   ARG  53          2HG       ARG  53 -13.146  24.696  -0.290
  427   2HG   ARG  53          1HG       ARG  53 -14.449  25.212   0.781
  428   1HD   ARG  53          2HD       ARG  53 -15.950  23.862  -0.202
  429   2HD   ARG  53          1HD       ARG  53 -15.357  24.224  -1.822
  430    HE   ARG  53           HE       ARG  53 -14.078  22.331  -1.732
  431   1HH1  ARG  53          1HH1      ARG  53 -15.089  23.150   1.506
  432   2HH1  ARG  53          2HH1      ARG  53 -14.471  21.690   2.202
  433   1HH2  ARG  53          1HH2      ARG  53 -13.265  20.409  -0.818
  434   2HH2  ARG  53          2HH2      ARG  53 -13.436  20.134   0.884
  435    H    GLY  54           H        GLY  54 -12.117  27.866  -3.732
  436   1HA   GLY  54          2HA       GLY  54 -12.435  29.632  -5.181
  437   2HA   GLY  54          1HA       GLY  54 -14.122  29.146  -5.310
  438    H    ILE  55           H        ILE  55 -15.382  29.501  -3.342
  439    HA   ILE  55           HA       ILE  55 -15.190  32.242  -2.528
  440    HB   ILE  55           HB       ILE  55 -17.229  31.756  -1.216
  441   1HG1  ILE  55          2HG1      ILE  55 -16.588  28.949  -2.087
  442   2HG1  ILE  55          1HG1      ILE  55 -16.987  29.533  -0.488
  443   1HG2  ILE  55          1HG2      ILE  55 -17.856  30.511  -3.818
  444   2HG2  ILE  55          2HG2      ILE  55 -17.021  32.063  -3.878
  445   3HG2  ILE  55          3HG2      ILE  55 -18.564  31.924  -3.034
  446   1HD1  ILE  55          1HD1      ILE  55 -18.760  28.875  -2.779
  447   2HD1  ILE  55          2HD1      ILE  55 -19.296  30.050  -1.575
  448   3HD1  ILE  55          3HD1      ILE  55 -18.889  28.405  -1.083
  449    H    GLY  56           H        GLY  56 -14.170  29.179  -1.445
  450   1HA   GLY  56          2HA       GLY  56 -13.133  30.409   1.024
  451   2HA   GLY  56          1HA       GLY  56 -14.055  28.921   1.150
  452    H    GLN  57           H        GLN  57 -11.298  30.188  -0.763
  453    HA   GLN  57           HA       GLN  57 -10.120  27.752  -1.325
  454   1HB   GLN  57          2HB       GLN  57  -7.986  29.110  -1.531
  455   2HB   GLN  57          1HB       GLN  57  -9.348  29.640  -2.510
  456   1HG   GLN  57          2HG       GLN  57  -9.599  31.575  -1.366
  457   2HG   GLN  57          1HG       GLN  57  -9.067  30.872   0.160
  458   1HE2  GLN  57          1HE2      GLN  57  -6.727  30.342   0.285
  459   2HE2  GLN  57          2HE2      GLN  57  -5.615  31.440  -0.454
  460    H    SER  58           H        SER  58  -9.737  26.240   0.213
  461    HA   SER  58           HA       SER  58  -8.205  27.089   2.587
  462   1HB   SER  58          2HB       SER  58  -9.147  25.060   3.700
  463   2HB   SER  58          1HB       SER  58 -10.382  26.233   3.240
  464    HG   SER  58           HG       SER  58 -10.874  24.012   2.693
  465    H    ASN  59           H        ASN  59  -6.804  25.250   3.483
  466    HA   ASN  59           HA       ASN  59  -5.323  24.129   1.229
  467   1HB   ASN  59          2HB       ASN  59  -4.430  23.878   4.081
  468   2HB   ASN  59          1HB       ASN  59  -3.466  23.917   2.602
  469   1HD2  ASN  59          1HD2      ASN  59  -2.649  25.795   1.941
  470   2HD2  ASN  59          2HD2      ASN  59  -2.989  27.333   2.651
  471    H    ASN  60           H        ASN  60  -4.595  22.008   1.223
  472    HA   ASN  60           HA       ASN  60  -6.068  20.073   2.803
  473   1HB   ASN  60          2HB       ASN  60  -6.464  20.604  -0.060
  474   2HB   ASN  60          1HB       ASN  60  -6.220  18.912   0.336
  475   1HD2  ASN  60          1HD2      ASN  60  -8.140  17.994   0.303
  476   2HD2  ASN  60          2HD2      ASN  60  -9.543  18.573   1.124
  477    HA   PRO  61           HA       PRO  61  -2.261  17.801   2.333
  478   1HB   PRO  61          2HB       PRO  61  -3.036  15.330   2.770
  479   2HB   PRO  61          1HB       PRO  61  -3.498  16.600   3.912
  480   1HG   PRO  61          2HG       PRO  61  -5.148  15.232   1.840
  481   2HG   PRO  61          1HG       PRO  61  -5.629  15.857   3.427
  482   1HD   PRO  61          2HD       PRO  61  -5.840  17.180   0.865
  483   2HD   PRO  61          1HD       PRO  61  -6.283  17.815   2.473
  484    H    LYS  62           H        LYS  62  -0.849  17.189   0.772
  485    HA   LYS  62           HA       LYS  62  -1.693  16.176  -1.793
  486   1HB   LYS  62          2HB       LYS  62   0.900  16.964  -0.552
  487   2HB   LYS  62          1HB       LYS  62   0.961  15.809  -1.853
  488   1HG   LYS  62          2HG       LYS  62  -0.348  17.467  -3.226
  489   2HG   LYS  62          1HG       LYS  62  -0.008  18.620  -1.940
  490   1HD   LYS  62          2HD       LYS  62   2.464  17.614  -2.375
  491   2HD   LYS  62          1HD       LYS  62   1.772  17.513  -3.997
  492   1HE   LYS  62          2HE       LYS  62   1.003  19.964  -3.478
  493   2HE   LYS  62          1HE       LYS  62   2.313  19.908  -2.299
  494   1HZ   LYS  62          1HZ       LYS  62   2.915  20.780  -4.553
  495   2HZ   LYS  62          2HZ       LYS  62   2.693  19.215  -5.155
  496   3HZ   LYS  62          3HZ       LYS  62   3.884  19.512  -3.993
  497    H    GLN  63           H        GLN  63  -1.983  14.083  -2.224
  498    HA   GLN  63           HA       GLN  63  -1.175  12.118  -0.234
  499   1HB   GLN  63          2HB       GLN  63  -2.933  11.778  -2.660
  500   2HB   GLN  63          1HB       GLN  63  -2.666  10.577  -1.406
  501   1HG   GLN  63          2HG       GLN  63  -4.575  11.412  -0.581
  502   2HG   GLN  63          1HG       GLN  63  -3.503  12.634   0.100
  503   1HE2  GLN  63          1HE2      GLN  63  -5.293  14.063   0.133
  504   2HE2  GLN  63          2HE2      GLN  63  -5.807  14.871  -1.305
  505    H    SER  64           H        SER  64   0.516  10.907  -0.409
  506    HA   SER  64           HA       SER  64   2.386  10.930  -2.460
  507   1HB   SER  64          2HB       SER  64   3.288  10.115  -0.530
  508   2HB   SER  64          1HB       SER  64   1.844   9.205  -0.113
  509    HG   SER  64           HG       SER  64   3.645   7.878  -0.734
  510    H    SER  65           H        SER  65   3.116   9.098  -3.770
  511    HA   SER  65           HA       SER  65   0.833   7.664  -4.954
  512   1HB   SER  65          2HB       SER  65   2.475   7.670  -7.022
  513   2HB   SER  65          1HB       SER  65   1.471   9.076  -6.668
  514    HG   SER  65           HG       SER  65   4.130   8.767  -5.735
  515    H    LYS  66           H        LYS  66   3.916   7.371  -3.491
  516    HA   LYS  66           HA       LYS  66   5.407   5.420  -4.179
  517   1HB   LYS  66          2HB       LYS  66   5.477   6.085  -1.891
  518   2HB   LYS  66          1HB       LYS  66   3.885   5.413  -1.577
  519   1HG   LYS  66          2HG       LYS  66   5.449   3.275  -2.508
  520   2HG   LYS  66          1HG       LYS  66   6.458   4.168  -1.373
  521   1HD   LYS  66          2HD       LYS  66   5.391   3.041   0.238
  522   2HD   LYS  66          1HD       LYS  66   4.009   4.079  -0.105
  523   1HE   LYS  66          2HE       LYS  66   2.924   2.153  -0.469
  524   2HE   LYS  66          1HE       LYS  66   3.748   2.174  -2.028
  525   1HZ   LYS  66          1HZ       LYS  66   4.447   0.161  -1.374
  526   2HZ   LYS  66          2HZ       LYS  66   4.182   0.464   0.269
  527   3HZ   LYS  66          3HZ       LYS  66   5.592   1.025  -0.477
  528    H    TYR  67           H        TYR  67   5.057   3.821  -5.579
  529    HA   TYR  67           HA       TYR  67   2.683   2.387  -5.899
  530   1HB   TYR  67          2HB       TYR  67   5.517   1.683  -6.667
  531   2HB   TYR  67          1HB       TYR  67   4.125   0.696  -7.107
  532    HD1  TYR  67           1HD      TYR  67   5.179   4.292  -7.318
  533    HD2  TYR  67           2HD      TYR  67   3.270   0.989  -9.199
  534    HE1  TYR  67           1HE      TYR  67   4.841   5.646  -9.338
  535    HE2  TYR  67           2HE      TYR  67   2.927   2.333 -11.224
  536    HH   TYR  67           HH       TYR  67   3.907   4.308 -12.312
  537    H    LEU  68           H        LEU  68   1.913   0.518  -5.128
  538    HA   LEU  68           HA       LEU  68   3.201  -0.579  -2.741
  539   1HB   LEU  68          2HB       LEU  68   0.599   0.061  -3.233
  540   2HB   LEU  68          1HB       LEU  68   0.591  -1.646  -3.612
  541    HG   LEU  68           HG       LEU  68   1.298  -2.220  -1.391
  542   1HD1  LEU  68          1HD1      LEU  68   2.813  -0.690  -0.632
  543   2HD1  LEU  68          2HD1      LEU  68   1.382  -0.173   0.261
  544   3HD1  LEU  68          3HD1      LEU  68   1.872   0.690  -1.198
  545   1HD2  LEU  68          1HD2      LEU  68  -0.983  -0.318  -1.669
  546   2HD2  LEU  68          2HD2      LEU  68  -0.550  -0.922  -0.072
  547   3HD2  LEU  68          3HD2      LEU  68  -0.995  -2.051  -1.350
  548    H    THR  69           H        THR  69   4.561  -2.197  -3.099
  549    HA   THR  69           HA       THR  69   4.031  -4.030  -5.325
  550    HB   THR  69           HB       THR  69   6.504  -4.728  -4.406
  551    HG1  THR  69           1HG      THR  69   6.467  -2.970  -2.918
  552   1HG2  THR  69          1HG2      THR  69   5.961  -4.231  -6.732
  553   2HG2  THR  69          2HG2      THR  69   7.449  -3.436  -6.220
  554   3HG2  THR  69          3HG2      THR  69   5.956  -2.507  -6.359
  555    H    TRP  70           H        TRP  70   3.044  -5.838  -4.843
  556    HA   TRP  70           HA       TRP  70   3.758  -7.256  -2.397
  557   1HB   TRP  70          2HB       TRP  70   1.419  -5.923  -2.464
  558   2HB   TRP  70          1HB       TRP  70   0.912  -7.423  -3.227
  559    HD1  TRP  70           HD       TRP  70   3.559  -8.088  -0.706
  560    HE1  TRP  70           1HE      TRP  70   2.524  -9.031   1.450
  561    HE3  TRP  70           3HE      TRP  70  -1.368  -7.087  -1.654
  562    HZ2  TRP  70           2HZ      TRP  70  -0.024  -9.312   2.600
  563    HZ3  TRP  70           3HZ      TRP  70  -3.041  -7.729   0.034
  564    HH2  TRP  70           HH       TRP  70  -2.376  -8.818   2.117
  565    H    ARG  71           H        ARG  71   3.893  -9.415  -2.633
  566    HA   ARG  71           HA       ARG  71   2.824 -10.756  -4.937
  567   1HB   ARG  71          2HB       ARG  71   5.592 -11.467  -4.916
  568   2HB   ARG  71          1HB       ARG  71   4.637 -10.810  -6.234
  569   1HG   ARG  71          2HG       ARG  71   5.550  -8.852  -4.229
  570   2HG   ARG  71          1HG       ARG  71   6.806  -9.612  -5.194
  571   1HD   ARG  71          2HD       ARG  71   5.541  -8.982  -7.238
  572   2HD   ARG  71          1HD       ARG  71   4.420  -8.092  -6.214
  573    HE   ARG  71           HE       ARG  71   6.032  -6.470  -5.866
  574   1HH1  ARG  71          1HH1      ARG  71   7.387  -9.160  -7.638
  575   2HH1  ARG  71          2HH1      ARG  71   8.826  -8.304  -8.076
  576   1HH2  ARG  71          1HH2      ARG  71   7.931  -5.352  -6.443
  577   2HH2  ARG  71          2HH2      ARG  71   9.136  -6.146  -7.399
  578    H    ASP  72           H        ASP  72   2.727 -12.983  -4.655
  579    HA   ASP  72           HA       ASP  72   3.001 -13.839  -1.923
  580   1HB   ASP  72          2HB       ASP  72   2.337 -15.616  -4.271
  581   2HB   ASP  72          1HB       ASP  72   1.890 -15.826  -2.587
  582    H    LYS  73           H        LYS  73   4.221 -15.777  -1.323
  583    HA   LYS  73           HA       LYS  73   6.877 -15.624  -1.770
  584   1HB   LYS  73          2HB       LYS  73   7.142 -17.669  -0.697
  585   2HB   LYS  73          1HB       LYS  73   5.590 -17.095  -0.111
  586   1HG   LYS  73          2HG       LYS  73   5.150 -19.298  -0.537
  587   2HG   LYS  73          1HG       LYS  73   4.623 -18.545  -2.038
  588   1HD   LYS  73          2HD       LYS  73   7.421 -19.154  -2.201
  589   2HD   LYS  73          1HD       LYS  73   6.543 -20.592  -1.680
  590   1HE   LYS  73          2HE       LYS  73   5.119 -19.302  -3.807
  591   2HE   LYS  73          1HE       LYS  73   6.795 -19.562  -4.284
  592   1HZ   LYS  73          1HZ       LYS  73   6.194 -21.912  -3.166
  593   2HZ   LYS  73          2HZ       LYS  73   6.047 -21.589  -4.819
  594   3HZ   LYS  73          3HZ       LYS  73   4.690 -21.489  -3.813
  595    H    GLU  74           H        GLU  74   4.594 -16.872  -4.020
  596    HA   GLU  74           HA       GLU  74   6.675 -18.146  -5.622
  597   1HB   GLU  74          2HB       GLU  74   3.972 -18.677  -5.279
  598   2HB   GLU  74          1HB       GLU  74   4.039 -17.902  -6.856
  599   1HG   GLU  74          2HG       GLU  74   6.144 -19.811  -6.685
  600   2HG   GLU  74          1HG       GLU  74   4.636 -20.576  -6.185
  601    H    ASN  75           H        ASN  75   6.563 -15.240  -5.046
  602    HA   ASN  75           HA       ASN  75   6.712 -13.215  -6.044
  603   1HB   ASN  75          2HB       ASN  75   8.045 -13.156  -8.093
  604   2HB   ASN  75          1HB       ASN  75   8.716 -14.305  -6.941
  605   1HD2  ASN  75          1HD2      ASN  75   7.309 -13.854 -10.036
  606   2HD2  ASN  75          2HD2      ASN  75   7.454 -15.486 -10.584
  607    H    ASN  76           H        ASN  76   4.143 -13.851  -6.091
  608    HA   ASN  76           HA       ASN  76   3.251 -12.620  -8.571
  609   1HB   ASN  76          2HB       ASN  76   2.291 -15.386  -7.818
  610   2HB   ASN  76          1HB       ASN  76   1.580 -14.382  -9.077
  611   1HD2  ASN  76          1HD2      ASN  76   3.385 -16.960  -8.699
  612   2HD2  ASN  76          2HD2      ASN  76   4.461 -16.830 -10.043
  613    H    SER  77           H        SER  77   1.623 -11.241  -8.180
  614    HA   SER  77           HA       SER  77  -0.616 -11.772  -6.609
  615   1HB   SER  77          2HB       SER  77   1.137 -11.588  -4.775
  616   2HB   SER  77          1HB       SER  77   1.214  -9.873  -5.161
  617    HG   SER  77           HG       SER  77  -0.872  -9.627  -4.529
  618    H    GLY  78           H        GLY  78   1.290  -8.742  -6.671
  619   1HA   GLY  78          2HA       GLY  78   0.205  -7.498  -8.856
  620   2HA   GLY  78          1HA       GLY  78  -1.002  -7.296  -7.608
  621    H    LEU  79           H        LEU  79   0.652  -5.304  -9.002
  622    HA   LEU  79           HA       LEU  79   1.411  -3.792  -6.680
  623   1HB   LEU  79          2HB       LEU  79   3.693  -3.328  -7.370
  624   2HB   LEU  79          1HB       LEU  79   3.467  -5.041  -7.076
  625    HG   LEU  79           HG       LEU  79   3.053  -4.314  -9.875
  626   1HD1  LEU  79          1HD1      LEU  79   5.438  -3.346  -8.460
  627   2HD1  LEU  79          2HD1      LEU  79   4.741  -2.837  -9.998
  628   3HD1  LEU  79          3HD1      LEU  79   5.758  -4.276  -9.925
  629   1HD2  LEU  79          1HD2      LEU  79   4.352  -6.414  -8.249
  630   2HD2  LEU  79          2HD2      LEU  79   5.001  -6.145  -9.866
  631   3HD2  LEU  79          3HD2      LEU  79   3.299  -6.555  -9.657
  632    H    ILE  80           H        ILE  80   1.031  -1.671  -6.990
  633    HA   ILE  80           HA       ILE  80   1.215  -0.441  -9.591
  634    HB   ILE  80           HB       ILE  80  -1.040   0.272  -9.851
  635   1HG1  ILE  80          2HG1      ILE  80  -2.018   0.589  -7.780
  636   2HG1  ILE  80          1HG1      ILE  80  -2.817  -0.886  -8.310
  637   1HG2  ILE  80          1HG2      ILE  80  -0.986  -2.695  -9.364
  638   2HG2  ILE  80          2HG2      ILE  80  -0.473  -1.872 -10.834
  639   3HG2  ILE  80          3HG2      ILE  80  -2.167  -1.832 -10.347
  640   1HD1  ILE  80          1HD1      ILE  80  -1.087  -2.149  -6.984
  641   2HD1  ILE  80          2HD1      ILE  80  -2.242  -1.199  -6.051
  642   3HD1  ILE  80          3HD1      ILE  80  -0.606  -0.596  -6.304
  643    H    LYS  81           H        LYS  81  -0.066   1.888  -9.300
  644    HA   LYS  81           HA       LYS  81   1.317   3.067  -7.016
  645   1HB   LYS  81          2HB       LYS  81   1.668   3.996  -9.279
  646   2HB   LYS  81          1HB       LYS  81  -0.033   4.416  -9.343
  647   1HG   LYS  81          2HG       LYS  81   0.588   5.667  -7.086
  648   2HG   LYS  81          1HG       LYS  81   2.180   5.684  -7.847
  649   1HD   LYS  81          2HD       LYS  81   1.255   7.659  -8.615
  650   2HD   LYS  81          1HD       LYS  81   0.883   6.543  -9.931
  651   1HE   LYS  81          2HE       LYS  81  -1.173   7.483  -9.662
  652   2HE   LYS  81          1HE       LYS  81  -1.311   6.169  -8.495
  653   1HZ   LYS  81          1HZ       LYS  81  -1.912   7.834  -7.133
  654   2HZ   LYS  81          2HZ       LYS  81  -1.149   9.030  -8.053
  655   3HZ   LYS  81          3HZ       LYS  81  -0.245   8.085  -6.980
  656    HA   PRO  82           HA       PRO  82  -2.792   3.607  -5.163
  657   1HB   PRO  82          2HB       PRO  82  -2.152   3.008  -2.697
  658   2HB   PRO  82          1HB       PRO  82  -2.037   1.737  -3.924
  659   1HG   PRO  82          2HG       PRO  82   0.140   3.398  -2.713
  660   2HG   PRO  82          1HG       PRO  82   0.132   1.669  -3.084
  661   1HD   PRO  82          2HD       PRO  82   1.182   3.706  -4.712
  662   2HD   PRO  82          1HD       PRO  82   0.849   2.040  -5.211
  663    H    PHE  83           H        PHE  83  -3.120   4.697  -2.745
  664    HA   PHE  83           HA       PHE  83  -1.730   7.292  -2.913
  665   1HB   PHE  83          2HB       PHE  83  -4.584   6.616  -2.640
  666   2HB   PHE  83          1HB       PHE  83  -4.017   7.843  -1.510
  667    HD1  PHE  83           1HD      PHE  83  -5.777   7.663  -4.302
  668    HD2  PHE  83           2HD      PHE  83  -2.098   9.364  -3.008
  669    HE1  PHE  83           1HE      PHE  83  -5.946   9.363  -6.073
  670    HE2  PHE  83           2HE      PHE  83  -2.259  11.068  -4.776
  671    HZ   PHE  83           HZ       PHE  83  -4.185  11.069  -6.312
  672    H    VAL  84           H        VAL  84  -0.433   7.660  -1.260
  673    HA   VAL  84           HA       VAL  84  -0.850   6.223   1.234
  674    HB   VAL  84           HB       VAL  84   1.643   7.741   0.559
  675   1HG1  VAL  84          1HG1      VAL  84   1.094   6.814   2.854
  676   2HG1  VAL  84          2HG1      VAL  84   2.670   6.417   2.166
  677   3HG1  VAL  84          3HG1      VAL  84   1.368   5.225   2.143
  678   1HG2  VAL  84          1HG2      VAL  84   1.658   6.382  -1.301
  679   2HG2  VAL  84          2HG2      VAL  84   0.783   5.086  -0.486
  680   3HG2  VAL  84          3HG2      VAL  84   2.484   5.370  -0.114
  681    H    ILE  85           H        ILE  85  -1.883   7.296   2.729
  682    HA   ILE  85           HA       ILE  85  -1.442  10.200   2.964
  683    HB   ILE  85           HB       ILE  85  -3.846   9.038   4.243
  684   1HG1  ILE  85          2HG1      ILE  85  -3.831   7.858   2.072
  685   2HG1  ILE  85          1HG1      ILE  85  -5.153   9.014   2.181
  686   1HG2  ILE  85          1HG2      ILE  85  -4.767  11.176   3.078
  687   2HG2  ILE  85          2HG2      ILE  85  -3.061  11.566   2.867
  688   3HG2  ILE  85          3HG2      ILE  85  -3.716  11.323   4.486
  689   1HD1  ILE  85          1HD1      ILE  85  -2.809   8.974   0.409
  690   2HD1  ILE  85          2HD1      ILE  85  -3.290  10.556   1.024
  691   3HD1  ILE  85          3HD1      ILE  85  -4.444   9.570   0.126
  692    HA   PRO  86           HA       PRO  86   0.091   9.160   7.001
  693   1HB   PRO  86          2HB       PRO  86   0.408  11.626   8.002
  694   2HB   PRO  86          1HB       PRO  86   1.422  11.025   6.686
  695   1HG   PRO  86          2HG       PRO  86  -0.920  12.876   6.582
  696   2HG   PRO  86          1HG       PRO  86   0.598  12.936   5.671
  697   1HD   PRO  86          2HD       PRO  86  -1.796  11.941   4.697
  698   2HD   PRO  86          1HD       PRO  86  -0.192  11.536   4.054
  699    H    ASN  87           H        ASN  87  -2.834   9.082   6.644
  700    HA   ASN  87           HA       ASN  87  -3.585   9.900   9.357
  701   1HB   ASN  87          2HB       ASN  87  -4.588  11.063   7.062
  702   2HB   ASN  87          1HB       ASN  87  -5.824   9.881   7.481
  703   1HD2  ASN  87          1HD2      ASN  87  -6.874  10.047   9.492
  704   2HD2  ASN  87          2HD2      ASN  87  -6.902  11.536  10.367
  705    H    LEU  88           H        LEU  88  -3.195   7.338   7.297
  706    HA   LEU  88           HA       LEU  88  -3.641   5.116   7.605
  707   1HB   LEU  88          2HB       LEU  88  -3.847   5.856  10.075
  708   2HB   LEU  88          1HB       LEU  88  -5.575   5.756   9.801
  709    HG   LEU  88           HG       LEU  88  -5.098   3.347   8.995
  710   1HD1  LEU  88          1HD1      LEU  88  -3.055   2.493   9.189
  711   2HD1  LEU  88          2HD1      LEU  88  -2.871   3.116  10.830
  712   3HD1  LEU  88          3HD1      LEU  88  -2.480   4.141   9.449
  713   1HD2  LEU  88          1HD2      LEU  88  -4.785   2.757  11.594
  714   2HD2  LEU  88          2HD2      LEU  88  -6.311   3.305  10.900
  715   3HD2  LEU  88          3HD2      LEU  88  -5.256   4.450  11.727
  716    HA   PRO  89           HA       PRO  89  -7.533   5.810   5.226
  717   1HB   PRO  89          2HB       PRO  89  -6.278   4.226   3.142
  718   2HB   PRO  89          1HB       PRO  89  -6.827   5.900   3.083
  719   1HG   PRO  89          2HG       PRO  89  -4.199   5.163   3.017
  720   2HG   PRO  89          1HG       PRO  89  -4.769   6.725   3.625
  721   1HD   PRO  89          2HD       PRO  89  -3.913   4.295   5.138
  722   2HD   PRO  89          1HD       PRO  89  -3.655   6.013   5.506
  723    H    VAL  90           H        VAL  90  -6.435   3.464   7.026
  724    HA   VAL  90           HA       VAL  90  -7.460   1.575   7.797
  725    HB   VAL  90           HB       VAL  90  -9.087   1.601   5.265
  726   1HG1  VAL  90          1HG1      VAL  90  -9.219  -0.574   6.087
  727   2HG1  VAL  90          2HG1      VAL  90 -10.632   0.210   6.791
  728   3HG1  VAL  90          3HG1      VAL  90  -9.186  -0.043   7.768
  729   1HG2  VAL  90          1HG2      VAL  90 -10.429   3.141   6.153
  730   2HG2  VAL  90          2HG2      VAL  90  -9.194   3.401   7.385
  731   3HG2  VAL  90          3HG2      VAL  90 -10.514   2.272   7.685
  732    H    ASN  91           H        ASN  91  -5.593   1.969   5.113
  733    HA   ASN  91           HA       ASN  91  -4.207   0.622   3.919
  734   1HB   ASN  91          2HB       ASN  91  -4.711  -1.508   5.994
  735   2HB   ASN  91          1HB       ASN  91  -3.264  -1.256   5.024
  736   1HD2  ASN  91          1HD2      ASN  91  -2.634  -1.521   7.464
  737   2HD2  ASN  91          2HD2      ASN  91  -2.353  -0.028   8.289
  738    H    LEU  92           H        LEU  92  -5.906   0.558   2.277
  739    HA   LEU  92           HA       LEU  92  -7.103  -2.126   2.022
  740   1HB   LEU  92          2HB       LEU  92  -8.681  -0.972   0.398
  741   2HB   LEU  92          1HB       LEU  92  -8.908  -0.633   2.105
  742    HG   LEU  92           HG       LEU  92  -7.130   1.296   0.851
  743   1HD1  LEU  92          1HD1      LEU  92  -8.285   1.048  -1.166
  744   2HD1  LEU  92          2HD1      LEU  92  -9.081   2.408  -0.372
  745   3HD1  LEU  92          3HD1      LEU  92  -9.834   0.813  -0.356
  746   1HD2  LEU  92          1HD2      LEU  92  -8.203   2.746   2.226
  747   2HD2  LEU  92          2HD2      LEU  92  -8.651   1.247   3.041
  748   3HD2  LEU  92          3HD2      LEU  92  -9.786   2.024   1.937
  749    H    TRP  93           H        TRP  93  -6.625  -3.314   0.275
  750    HA   TRP  93           HA       TRP  93  -4.594  -2.289  -1.531
  751   1HB   TRP  93          2HB       TRP  93  -5.195  -4.814  -0.453
  752   2HB   TRP  93          1HB       TRP  93  -5.541  -4.948  -2.170
  753    HD1  TRP  93           HD       TRP  93  -3.541  -5.402  -3.694
  754    HE1  TRP  93           1HE      TRP  93  -0.984  -5.329  -3.439
  755    HE3  TRP  93           3HE      TRP  93  -3.261  -3.422   1.004
  756    HZ2  TRP  93           2HZ      TRP  93   0.897  -4.542  -1.497
  757    HZ3  TRP  93           3HZ      TRP  93  -1.041  -3.049   1.995
  758    HH2  TRP  93           HH       TRP  93   0.998  -3.599   0.769
  759    H    GLY  94           H        GLY  94  -4.868  -2.993  -3.900
  760   1HA   GLY  94          2HA       GLY  94  -7.389  -1.834  -4.782
  761   2HA   GLY  94          1HA       GLY  94  -5.957  -2.071  -5.758
  762    H    ARG  95           H        ARG  95  -8.930  -2.836  -5.934
  763    HA   ARG  95           HA       ARG  95  -9.393  -5.526  -5.753
  764   1HB   ARG  95          2HB       ARG  95 -11.057  -3.808  -6.409
  765   2HB   ARG  95          1HB       ARG  95 -10.331  -3.753  -8.009
  766   1HG   ARG  95          2HG       ARG  95 -11.764  -5.332  -8.606
  767   2HG   ARG  95          1HG       ARG  95 -10.851  -6.445  -7.588
  768   1HD   ARG  95          2HD       ARG  95 -13.145  -6.598  -6.959
  769   2HD   ARG  95          1HD       ARG  95 -12.293  -5.750  -5.669
  770    HE   ARG  95           HE       ARG  95 -13.175  -3.676  -6.978
  771   1HH1  ARG  95          1HH1      ARG  95 -14.882  -6.669  -6.385
  772   2HH1  ARG  95          2HH1      ARG  95 -16.445  -5.927  -6.437
  773   1HH2  ARG  95          1HH2      ARG  95 -15.232  -2.708  -7.040
  774   2HH2  ARG  95          2HH2      ARG  95 -16.644  -3.682  -6.807
  775    H    ASP  96           H        ASP  96  -7.574  -3.864  -8.265
  776    HA   ASP  96           HA       ASP  96  -7.467  -5.914 -10.158
  777   1HB   ASP  96          2HB       ASP  96  -5.880  -3.500  -9.545
  778   2HB   ASP  96          1HB       ASP  96  -5.029  -4.745 -10.457
  779    H    LEU  97           H        LEU  97  -5.241  -5.205  -7.485
  780    HA   LEU  97           HA       LEU  97  -3.655  -7.535  -7.982
  781   1HB   LEU  97          2HB       LEU  97  -3.458  -6.245  -5.338
  782   2HB   LEU  97          1HB       LEU  97  -2.201  -6.726  -6.453
  783    HG   LEU  97           HG       LEU  97  -3.713  -4.479  -7.493
  784   1HD1  LEU  97          1HD1      LEU  97  -3.928  -4.183  -4.993
  785   2HD1  LEU  97          2HD1      LEU  97  -3.231  -2.845  -5.907
  786   3HD1  LEU  97          3HD1      LEU  97  -2.184  -3.928  -4.988
  787   1HD2  LEU  97          1HD2      LEU  97  -1.381  -5.413  -8.073
  788   2HD2  LEU  97          2HD2      LEU  97  -0.841  -4.462  -6.690
  789   3HD2  LEU  97          3HD2      LEU  97  -1.633  -3.670  -8.050
  790    H    LEU  98           H        LEU  98  -6.531  -6.896  -6.180
  791    HA   LEU  98           HA       LEU  98  -6.197  -9.088  -4.345
  792   1HB   LEU  98          2HB       LEU  98  -8.474  -7.271  -5.060
  793   2HB   LEU  98          1HB       LEU  98  -8.808  -8.759  -4.202
  794    HG   LEU  98           HG       LEU  98  -8.622  -7.358  -2.426
  795   1HD1  LEU  98          1HD1      LEU  98  -5.665  -7.692  -2.746
  796   2HD1  LEU  98          2HD1      LEU  98  -6.715  -9.064  -2.393
  797   3HD1  LEU  98          3HD1      LEU  98  -6.632  -7.705  -1.272
  798   1HD2  LEU  98          1HD2      LEU  98  -7.489  -5.305  -2.361
  799   2HD2  LEU  98          2HD2      LEU  98  -8.138  -5.431  -3.994
  800   3HD2  LEU  98          3HD2      LEU  98  -6.431  -5.757  -3.694
  801    H    SER  99           H        SER  99  -7.972  -8.492  -7.339
  802    HA   SER  99           HA       SER  99  -9.200 -10.984  -7.597
  803   1HB   SER  99          2HB       SER  99  -9.332  -8.748  -9.048
  804   2HB   SER  99          1HB       SER  99  -8.181  -9.627 -10.053
  805    HG   SER  99           HG       SER  99 -10.487  -9.928 -10.538
  806    H    GLN 100           H        GLN 100  -6.046  -9.816  -8.700
  807    HA   GLN 100           HA       GLN 100  -5.241 -12.268  -9.892
  808   1HB   GLN 100          2HB       GLN 100  -3.601  -9.968  -8.826
  809   2HB   GLN 100          1HB       GLN 100  -2.961 -11.283  -9.799
  810   1HG   GLN 100          2HG       GLN 100  -4.407 -10.621 -11.652
  811   2HG   GLN 100          1HG       GLN 100  -5.056  -9.305 -10.675
  812   1HE2  GLN 100          1HE2      GLN 100  -4.242  -7.420 -11.204
  813   2HE2  GLN 100          2HE2      GLN 100  -2.628  -7.112 -11.734
  814    H    MET 101           H        MET 101  -4.696 -10.765  -6.722
  815    HA   MET 101           HA       MET 101  -2.931 -12.347  -5.474
  816   1HB   MET 101          2HB       MET 101  -5.048 -10.669  -4.664
  817   2HB   MET 101          1HB       MET 101  -5.218 -12.149  -3.732
  818   1HG   MET 101          2HG       MET 101  -3.092 -11.915  -2.772
  819   2HG   MET 101          1HG       MET 101  -2.609 -10.698  -3.947
  820   1HE   MET 101          1HE       MET 101  -3.493  -8.267  -4.012
  821   2HE   MET 101          2HE       MET 101  -2.125  -8.439  -2.912
  822   3HE   MET 101          3HE       MET 101  -3.510  -7.449  -2.450
  823    H    LYS 102           H        LYS 102  -6.414 -13.167  -5.341
  824    HA   LYS 102           HA       LYS 102  -5.877 -15.933  -5.913
  825   1HB   LYS 102          2HB       LYS 102  -6.380 -15.018  -3.110
  826   2HB   LYS 102          1HB       LYS 102  -7.009 -16.575  -3.631
  827   1HG   LYS 102          2HG       LYS 102  -5.040 -17.432  -3.086
  828   2HG   LYS 102          1HG       LYS 102  -4.371 -16.591  -4.485
  829   1HD   LYS 102          2HD       LYS 102  -3.572 -14.826  -3.196
  830   2HD   LYS 102          1HD       LYS 102  -4.679 -15.169  -1.867
  831   1HE   LYS 102          2HE       LYS 102  -3.257 -16.606  -0.909
  832   2HE   LYS 102          1HE       LYS 102  -2.858 -17.372  -2.446
  833   1HZ   LYS 102          1HZ       LYS 102  -1.254 -15.693  -0.972
  834   2HZ   LYS 102          2HZ       LYS 102  -1.750 -14.758  -2.290
  835   3HZ   LYS 102          3HZ       LYS 102  -0.971 -16.236  -2.549
  836    H    ILE 103           H        ILE 103  -7.518 -14.336  -7.340
  837    HA   ILE 103           HA       ILE 103 -10.171 -15.376  -6.596
  838    HB   ILE 103           HB       ILE 103  -9.847 -12.652  -7.825
  839   1HG1  ILE 103          2HG1      ILE 103 -10.209 -13.357  -4.904
  840   2HG1  ILE 103          1HG1      ILE 103  -8.779 -12.619  -5.619
  841   1HG2  ILE 103          1HG2      ILE 103 -11.996 -13.420  -8.248
  842   2HG2  ILE 103          2HG2      ILE 103 -12.191 -12.471  -6.775
  843   3HG2  ILE 103          3HG2      ILE 103 -12.119 -14.230  -6.686
  844   1HD1  ILE 103          1HD1      ILE 103 -10.672 -11.219  -4.384
  845   2HD1  ILE 103          2HD1      ILE 103 -11.343 -11.208  -6.014
  846   3HD1  ILE 103          3HD1      ILE 103  -9.725 -10.571  -5.722
  847    H    MET 104           H        MET 104  -8.959 -13.410  -9.315
  848    HA   MET 104           HA       MET 104 -10.117 -15.395 -11.138
  849   1HB   MET 104          2HB       MET 104 -10.955 -13.113 -11.387
  850   2HB   MET 104          1HB       MET 104  -9.317 -12.520 -11.619
  851   1HG   MET 104          2HG       MET 104  -9.648 -14.526 -13.527
  852   2HG   MET 104          1HG       MET 104 -11.160 -13.623 -13.529
  853   1HE   MET 104          1HE       MET 104  -7.012 -11.757 -14.174
  854   2HE   MET 104          2HE       MET 104  -7.386 -13.201 -13.233
  855   3HE   MET 104          3HE       MET 104  -7.771 -11.605 -12.589
  856    H    MET 105           H        MET 105  -8.941 -16.303 -12.796
  857    HA   MET 105           HA       MET 105  -6.145 -16.606 -12.360
  858   1HB   MET 105          2HB       MET 105  -7.838 -18.273 -13.396
  859   2HB   MET 105          1HB       MET 105  -7.549 -17.402 -14.896
  860   1HG   MET 105          2HG       MET 105  -6.116 -19.268 -14.916
  861   2HG   MET 105          1HG       MET 105  -5.103 -17.868 -14.569
  862   1HE   MET 105          1HE       MET 105  -2.969 -19.252 -12.137
  863   2HE   MET 105          2HE       MET 105  -3.267 -18.673 -13.777
  864   3HE   MET 105          3HE       MET 105  -3.301 -20.403 -13.431
  865    H    ALA 106           H        ALA 106  -4.908 -14.840 -12.678
  866    HA   ALA 106           HA       ALA 106  -5.355 -12.977 -14.802
  867   1HB   ALA 106          1HB       ALA 106  -3.386 -11.853 -14.007
  868   2HB   ALA 106          2HB       ALA 106  -2.905 -13.268 -13.071
  869   3HB   ALA 106          3HB       ALA 106  -4.348 -12.362 -12.619
  870    H    SER 107           H        SER 107  -4.976 -13.481 -16.855
  871    HA   SER 107           HA       SER 107  -3.953 -14.216 -18.748
  872   1HB   SER 107          2HB       SER 107  -1.408 -14.314 -17.120
  873   2HB   SER 107          1HB       SER 107  -1.561 -14.109 -18.866
  874    HG   SER 107           HG       SER 107  -2.730 -12.115 -18.318
  Start of MODEL    9
    1   1H    TRP   1          1HT       TRP   1   9.496 -17.340   5.675
    2   2H    TRP   1          2HT       TRP   1   7.908 -17.362   6.330
    3   3H    TRP   1          3HT       TRP   1   8.486 -15.963   5.517
    4    HA   TRP   1           HA       TRP   1   8.508 -17.036   3.469
    5   1HB   TRP   1          2HB       TRP   1   8.042 -19.483   5.168
    6   2HB   TRP   1          1HB       TRP   1   7.686 -19.481   3.443
    7    HD1  TRP   1           HD       TRP   1   9.888 -18.872   1.813
    8    HE1  TRP   1           1HE      TRP   1  12.337 -19.599   2.116
    9    HE3  TRP   1           3HE      TRP   1   9.778 -20.059   6.786
   10    HZ2  TRP   1           2HZ      TRP   1  14.004 -20.549   4.187
   11    HZ3  TRP   1           3HZ      TRP   1  11.841 -20.869   7.851
   12    HH2  TRP   1           HH       TRP   1  13.911 -21.110   6.578
   13    H    VAL   2           H        VAL   2   6.454 -18.287   2.420
   14    HA   VAL   2           HA       VAL   2   4.104 -16.905   3.529
   15    HB   VAL   2           HB       VAL   2   4.718 -17.751   0.700
   16   1HG1  VAL   2          1HG1      VAL   2   2.561 -16.468   0.203
   17   2HG1  VAL   2          2HG1      VAL   2   2.183 -16.702   1.909
   18   3HG1  VAL   2          3HG1      VAL   2   2.411 -18.098   0.859
   19   1HG2  VAL   2          1HG2      VAL   2   4.178 -15.111   0.596
   20   2HG2  VAL   2          2HG2      VAL   2   5.798 -15.775   0.800
   21   3HG2  VAL   2          3HG2      VAL   2   4.888 -15.228   2.207
   22    H    GLN   3           H        GLN   3   2.032 -17.960   3.313
   23    HA   GLN   3           HA       GLN   3   2.022 -20.828   2.863
   24   1HB   GLN   3          2HB       GLN   3   0.899 -21.236   5.077
   25   2HB   GLN   3          1HB       GLN   3   2.608 -20.831   5.175
   26   1HG   GLN   3          2HG       GLN   3   1.970 -19.379   6.738
   27   2HG   GLN   3          1HG       GLN   3   1.451 -18.378   5.383
   28   1HE2  GLN   3          1HE2      GLN   3   0.190 -21.186   7.156
   29   2HE2  GLN   3          2HE2      GLN   3  -1.397 -20.545   7.384
   30    HA   PRO   4           HA       PRO   4  -2.046 -19.996   1.388
   31   1HB   PRO   4          2HB       PRO   4  -3.339 -22.323   1.938
   32   2HB   PRO   4          1HB       PRO   4  -2.141 -22.170   0.647
   33   1HG   PRO   4          2HG       PRO   4  -1.815 -23.268   3.413
   34   2HG   PRO   4          1HG       PRO   4  -1.189 -23.899   1.878
   35   1HD   PRO   4          2HD       PRO   4   0.345 -22.483   3.602
   36   2HD   PRO   4          1HD       PRO   4   0.576 -22.414   1.844
   37    H    ILE   5           H        ILE   5  -3.582 -18.761   2.241
   38    HA   ILE   5           HA       ILE   5  -4.055 -18.639   5.043
   39    HB   ILE   5           HB       ILE   5  -4.275 -16.619   3.790
   40   1HG1  ILE   5          2HG1      ILE   5  -6.451 -15.822   4.480
   41   2HG1  ILE   5          1HG1      ILE   5  -7.085 -17.465   4.530
   42   1HG2  ILE   5          1HG2      ILE   5  -4.767 -17.293   1.613
   43   2HG2  ILE   5          2HG2      ILE   5  -6.207 -16.415   2.127
   44   3HG2  ILE   5          3HG2      ILE   5  -6.209 -18.177   2.113
   45   1HD1  ILE   5          1HD1      ILE   5  -6.009 -16.008   6.634
   46   2HD1  ILE   5          2HD1      ILE   5  -4.777 -17.202   6.229
   47   3HD1  ILE   5          3HD1      ILE   5  -6.414 -17.724   6.622
   48    H    THR   6           H        THR   6  -5.414 -19.783   6.246
   49    HA   THR   6           HA       THR   6  -7.217 -21.665   4.992
   50    HB   THR   6           HB       THR   6  -5.947 -22.450   6.887
   51    HG1  THR   6           1HG      THR   6  -7.597 -23.513   7.599
   52   1HG2  THR   6          1HG2      THR   6  -6.649 -19.911   8.056
   53   2HG2  THR   6          2HG2      THR   6  -5.394 -21.061   8.516
   54   3HG2  THR   6          3HG2      THR   6  -7.035 -21.255   9.130
   55    H    ALA   7           H        ALA   7  -9.357 -21.433   4.763
   56    HA   ALA   7           HA       ALA   7 -11.453 -20.545   4.849
   57   1HB   ALA   7          1HB       ALA   7 -12.289 -20.134   6.902
   58   2HB   ALA   7          2HB       ALA   7 -11.019 -18.980   7.305
   59   3HB   ALA   7          3HB       ALA   7 -10.713 -20.712   7.441
   60    H    GLN   8           H        GLN   8 -12.227 -18.912   3.679
   61    HA   GLN   8           HA       GLN   8 -10.688 -16.814   2.743
   62   1HB   GLN   8          2HB       GLN   8 -13.675 -17.165   2.911
   63   2HB   GLN   8          1HB       GLN   8 -12.944 -15.761   2.146
   64   1HG   GLN   8          2HG       GLN   8 -12.793 -16.910   0.269
   65   2HG   GLN   8          1HG       GLN   8 -11.656 -18.001   1.057
   66   1HE2  GLN   8          1HE2      GLN   8 -12.437 -19.934   1.974
   67   2HE2  GLN   8          2HE2      GLN   8 -13.939 -20.622   1.468
   68    H    LYS   9           H        LYS   9  -9.664 -15.537   4.158
   69    HA   LYS   9           HA       LYS   9 -11.307 -13.666   5.675
   70   1HB   LYS   9          2HB       LYS   9  -9.765 -15.773   6.881
   71   2HB   LYS   9          1HB       LYS   9  -9.076 -14.219   7.329
   72   1HG   LYS   9          2HG       LYS   9 -10.645 -14.777   9.001
   73   2HG   LYS   9          1HG       LYS   9 -11.387 -13.512   8.021
   74   1HD   LYS   9          2HD       LYS   9 -13.024 -14.871   7.289
   75   2HD   LYS   9          1HD       LYS   9 -11.935 -16.248   7.107
   76   1HE   LYS   9          2HE       LYS   9 -12.564 -17.102   9.065
   77   2HE   LYS   9          1HE       LYS   9 -12.312 -15.564   9.890
   78   1HZ   LYS   9          1HZ       LYS   9 -14.637 -16.451   9.943
   79   2HZ   LYS   9          2HZ       LYS   9 -14.730 -16.156   8.280
   80   3HZ   LYS   9          3HZ       LYS   9 -14.492 -14.871   9.354
   81    HA   PRO  10           HA       PRO  10  -8.391 -10.811   3.970
   82   1HB   PRO  10          2HB       PRO  10  -8.655  -8.755   5.728
   83   2HB   PRO  10          1HB       PRO  10  -9.871  -9.142   4.507
   84   1HG   PRO  10          2HG       PRO  10  -9.814  -9.842   7.417
   85   2HG   PRO  10          1HG       PRO  10 -11.169  -9.263   6.432
   86   1HD   PRO  10          2HD       PRO  10 -10.856 -11.869   7.071
   87   2HD   PRO  10          1HD       PRO  10 -11.574 -11.347   5.533
   88    H    SER  11           H        SER  11  -6.947 -12.728   5.158
   89    HA   SER  11           HA       SER  11  -4.793 -11.222   6.365
   90   1HB   SER  11          2HB       SER  11  -5.631 -13.661   7.889
   91   2HB   SER  11          1HB       SER  11  -4.681 -12.276   8.429
   92    HG   SER  11           HG       SER  11  -7.234 -12.664   8.797
   93    H    LEU  12           H        LEU  12  -3.205 -11.777   5.016
   94    HA   LEU  12           HA       LEU  12  -2.525 -14.598   4.774
   95   1HB   LEU  12          2HB       LEU  12  -3.063 -14.809   2.630
   96   2HB   LEU  12          1HB       LEU  12  -3.824 -13.233   2.701
   97    HG   LEU  12           HG       LEU  12  -0.916 -13.655   2.000
   98   1HD1  LEU  12          1HD1      LEU  12  -3.337 -13.984   0.408
   99   2HD1  LEU  12          2HD1      LEU  12  -1.677 -14.475   0.070
  100   3HD1  LEU  12          3HD1      LEU  12  -2.197 -12.827  -0.281
  101   1HD2  LEU  12          1HD2      LEU  12  -2.586 -11.335   2.504
  102   2HD2  LEU  12          2HD2      LEU  12  -1.852 -11.292   0.900
  103   3HD2  LEU  12          3HD2      LEU  12  -0.835 -11.453   2.332
  104    H    THR  13           H        THR  13  -0.296 -14.953   4.156
  105    HA   THR  13           HA       THR  13   1.366 -12.618   4.820
  106    HB   THR  13           HB       THR  13   2.306 -15.473   4.873
  107    HG1  THR  13           1HG      THR  13   1.719 -15.448   7.099
  108   1HG2  THR  13          1HG2      THR  13   4.157 -14.180   5.237
  109   2HG2  THR  13          2HG2      THR  13   3.577 -14.420   6.885
  110   3HG2  THR  13          3HG2      THR  13   3.245 -12.906   6.046
  111    H    LEU  14           H        LEU  14   2.268 -11.655   3.151
  112    HA   LEU  14           HA       LEU  14   3.601 -13.260   1.106
  113   1HB   LEU  14          2HB       LEU  14   1.859 -10.907   0.393
  114   2HB   LEU  14          1HB       LEU  14   2.728 -11.947  -0.714
  115    HG   LEU  14           HG       LEU  14   0.314 -12.668   0.944
  116   1HD1  LEU  14          1HD1      LEU  14  -0.402 -11.447  -0.920
  117   2HD1  LEU  14          2HD1      LEU  14  -0.584 -13.134  -1.401
  118   3HD1  LEU  14          3HD1      LEU  14   0.794 -12.197  -1.978
  119   1HD2  LEU  14          1HD2      LEU  14   0.812 -14.813   0.767
  120   2HD2  LEU  14          2HD2      LEU  14   2.361 -14.391   0.039
  121   3HD2  LEU  14          3HD2      LEU  14   0.954 -14.659  -0.983
  122    H    TRP  15           H        TRP  15   4.938 -11.676  -0.351
  123    HA   TRP  15           HA       TRP  15   6.181  -9.794   1.516
  124   1HB   TRP  15          2HB       TRP  15   8.246 -10.265   0.649
  125   2HB   TRP  15          1HB       TRP  15   7.440 -11.807   0.448
  126    HD1  TRP  15           HD       TRP  15   5.960 -10.286  -2.360
  127    HE1  TRP  15           1HE      TRP  15   7.389 -10.472  -4.479
  128    HE3  TRP  15           3HE      TRP  15  10.468 -11.462  -0.244
  129    HZ2  TRP  15           2HZ      TRP  15  10.040 -11.051  -5.190
  130    HZ3  TRP  15           3HZ      TRP  15  12.393 -11.820  -1.728
  131    HH2  TRP  15           HH       TRP  15  12.185 -11.623  -4.145
  132    H    LEU  16           H        LEU  16   6.868  -7.795   0.898
  133    HA   LEU  16           HA       LEU  16   6.009  -6.768  -1.676
  134   1HB   LEU  16          2HB       LEU  16   5.065  -4.723  -0.390
  135   2HB   LEU  16          1HB       LEU  16   4.075  -6.156  -0.598
  136    HG   LEU  16           HG       LEU  16   5.434  -6.559   1.822
  137   1HD1  LEU  16          1HD1      LEU  16   5.653  -3.897   1.389
  138   2HD1  LEU  16          2HD1      LEU  16   5.560  -4.643   2.984
  139   3HD1  LEU  16          3HD1      LEU  16   4.109  -3.971   2.239
  140   1HD2  LEU  16          1HD2      LEU  16   2.979  -5.767   2.608
  141   2HD2  LEU  16          2HD2      LEU  16   3.325  -7.349   1.913
  142   3HD2  LEU  16          3HD2      LEU  16   2.681  -6.061   0.895
  143    H    ASP  17           H        ASP  17   7.164  -4.976  -2.389
  144    HA   ASP  17           HA       ASP  17   9.090  -3.773  -2.634
  145   1HB   ASP  17          2HB       ASP  17   7.720  -2.913  -0.284
  146   2HB   ASP  17          1HB       ASP  17   9.449  -2.814   0.032
  147    H    ASP  18           H        ASP  18   9.492  -6.512  -2.034
  148    HA   ASP  18           HA       ASP  18  11.182  -7.954  -1.565
  149   1HB   ASP  18          2HB       ASP  18  12.592  -5.327  -1.554
  150   2HB   ASP  18          1HB       ASP  18  13.443  -6.725  -0.903
  151    H    LYS  19           H        LYS  19   9.391  -7.604   0.426
  152    HA   LYS  19           HA       LYS  19  10.893  -8.374   2.726
  153   1HB   LYS  19          2HB       LYS  19  10.095  -5.593   2.470
  154   2HB   LYS  19          1HB       LYS  19   9.401  -6.337   3.905
  155   1HG   LYS  19          2HG       LYS  19  12.016  -7.201   3.938
  156   2HG   LYS  19          1HG       LYS  19  12.135  -5.538   3.355
  157   1HD   LYS  19          2HD       LYS  19  10.738  -6.448   5.873
  158   2HD   LYS  19          1HD       LYS  19  12.296  -5.622   5.789
  159   1HE   LYS  19          2HE       LYS  19   9.691  -4.477   4.790
  160   2HE   LYS  19          1HE       LYS  19  10.398  -4.127   6.367
  161   1HZ   LYS  19          1HZ       LYS  19  11.501  -2.496   5.379
  162   2HZ   LYS  19          2HZ       LYS  19  11.013  -2.992   3.838
  163   3HZ   LYS  19          3HZ       LYS  19  12.401  -3.657   4.538
  164    H    MET  20           H        MET  20   9.745  -9.958   3.586
  165    HA   MET  20           HA       MET  20   7.056 -10.449   2.897
  166   1HB   MET  20          2HB       MET  20   9.141 -11.825   4.255
  167   2HB   MET  20          1HB       MET  20   7.705 -11.874   5.267
  168   1HG   MET  20          2HG       MET  20   7.164 -13.663   4.046
  169   2HG   MET  20          1HG       MET  20   6.654 -12.482   2.843
  170   1HE   MET  20          1HE       MET  20   7.710 -15.206   0.853
  171   2HE   MET  20          2HE       MET  20   7.934 -13.688  -0.017
  172   3HE   MET  20          3HE       MET  20   6.610 -13.857   1.138
  173    H    PHE  21           H        PHE  21   5.180 -10.342   4.069
  174    HA   PHE  21           HA       PHE  21   4.871  -9.511   6.717
  175   1HB   PHE  21          2HB       PHE  21   5.789  -7.368   5.923
  176   2HB   PHE  21          1HB       PHE  21   4.528  -7.281   4.697
  177    HD1  PHE  21           1HD      PHE  21   2.952  -5.694   5.180
  178    HD2  PHE  21           2HD      PHE  21   4.593  -7.995   8.362
  179    HE1  PHE  21           1HE      PHE  21   1.483  -4.531   6.774
  180    HE2  PHE  21           2HE      PHE  21   3.126  -6.836   9.962
  181    HZ   PHE  21           HZ       PHE  21   1.568  -5.103   9.168
  182    H    THR  22           H        THR  22   2.709  -9.635   7.335
  183    HA   THR  22           HA       THR  22   0.947 -10.742   5.310
  184    HB   THR  22           HB       THR  22   1.004 -11.984   7.328
  185    HG1  THR  22           1HG      THR  22  -1.086 -11.800   6.540
  186   1HG2  THR  22          1HG2      THR  22  -0.070 -10.537   9.372
  187   2HG2  THR  22          2HG2      THR  22   1.031  -9.378   8.625
  188   3HG2  THR  22          3HG2      THR  22   1.637 -10.937   9.182
  189    H    GLY  23           H        GLY  23  -0.785  -9.806   4.450
  190   1HA   GLY  23          2HA       GLY  23  -1.575  -7.151   5.486
  191   2HA   GLY  23          1HA       GLY  23  -1.579  -7.566   3.776
  192    H    LEU  24           H        LEU  24  -3.875  -6.818   3.921
  193    HA   LEU  24           HA       LEU  24  -5.559  -9.022   4.893
  194   1HB   LEU  24          2HB       LEU  24  -7.273  -7.534   5.535
  195   2HB   LEU  24          1HB       LEU  24  -5.788  -6.922   6.221
  196    HG   LEU  24           HG       LEU  24  -6.965  -5.032   5.494
  197   1HD1  LEU  24          1HD1      LEU  24  -5.150  -5.536   3.160
  198   2HD1  LEU  24          2HD1      LEU  24  -4.548  -5.186   4.779
  199   3HD1  LEU  24          3HD1      LEU  24  -5.548  -4.004   3.934
  200   1HD2  LEU  24          1HD2      LEU  24  -7.364  -5.467   2.702
  201   2HD2  LEU  24          2HD2      LEU  24  -8.551  -5.111   3.956
  202   3HD2  LEU  24          3HD2      LEU  24  -8.108  -6.782   3.611
  203    H    ILE  25           H        ILE  25  -6.674 -10.058   3.422
  204    HA   ILE  25           HA       ILE  25  -6.804  -8.979   0.717
  205    HB   ILE  25           HB       ILE  25  -7.818 -11.683   1.558
  206   1HG1  ILE  25          2HG1      ILE  25  -5.488 -11.414   2.373
  207   2HG1  ILE  25          1HG1      ILE  25  -5.620 -12.619   1.096
  208   1HG2  ILE  25          1HG2      ILE  25  -7.948 -12.154  -0.638
  209   2HG2  ILE  25          2HG2      ILE  25  -6.486 -11.249  -1.030
  210   3HG2  ILE  25          3HG2      ILE  25  -8.014 -10.400  -0.804
  211   1HD1  ILE  25          1HD1      ILE  25  -4.186 -11.520  -0.186
  212   2HD1  ILE  25          2HD1      ILE  25  -3.848 -10.501   1.211
  213   3HD1  ILE  25          3HD1      ILE  25  -5.053  -9.999   0.026
  214    H    ASN  26           H        ASN  26  -8.498  -7.775   0.206
  215    HA   ASN  26           HA       ASN  26 -11.111  -8.467   1.367
  216   1HB   ASN  26          2HB       ASN  26 -11.758  -6.117   0.927
  217   2HB   ASN  26          1HB       ASN  26 -10.396  -6.241   2.034
  218   1HD2  ASN  26          1HD2      ASN  26  -8.230  -6.020   1.034
  219   2HD2  ASN  26          2HD2      ASN  26  -8.049  -4.876  -0.248
  220    H    THR  27           H        THR  27 -12.515  -9.346   0.026
  221    HA   THR  27           HA       THR  27 -11.993  -9.525  -2.777
  222    HB   THR  27           HB       THR  27 -13.025 -11.349  -1.460
  223    HG1  THR  27           1HG      THR  27 -13.607 -11.807  -3.420
  224   1HG2  THR  27          1HG2      THR  27 -14.857  -9.341  -0.660
  225   2HG2  THR  27          2HG2      THR  27 -14.773 -11.029  -0.156
  226   3HG2  THR  27          3HG2      THR  27 -15.741 -10.575  -1.559
  227    H    GLY  28           H        GLY  28 -12.992  -6.930  -1.185
  228   1HA   GLY  28          2HA       GLY  28 -14.730  -6.063  -3.398
  229   2HA   GLY  28          1HA       GLY  28 -15.143  -5.688  -1.730
  230    H    ALA  29           H        ALA  29 -11.931  -5.666  -3.184
  231    HA   ALA  29           HA       ALA  29 -11.274  -3.139  -2.085
  232   1HB   ALA  29          1HB       ALA  29  -9.289  -4.074  -2.463
  233   2HB   ALA  29          2HB       ALA  29  -9.473  -3.573  -4.142
  234   3HB   ALA  29          3HB       ALA  29  -9.956  -5.196  -3.649
  235    H    ASP  30           H        ASP  30 -11.373  -1.139  -2.909
  236    HA   ASP  30           HA       ASP  30 -11.797  -0.665  -5.726
  237   1HB   ASP  30          2HB       ASP  30 -13.876   0.642  -5.385
  238   2HB   ASP  30          1HB       ASP  30 -14.083  -1.070  -5.033
  239    H    VAL  31           H        VAL  31 -10.137   0.090  -3.146
  240    HA   VAL  31           HA       VAL  31  -9.634   2.793  -4.042
  241    HB   VAL  31           HB       VAL  31 -11.357   3.121  -2.327
  242   1HG1  VAL  31          1HG1      VAL  31 -10.304   0.980  -1.058
  243   2HG1  VAL  31          2HG1      VAL  31 -11.372   2.156  -0.295
  244   3HG1  VAL  31          3HG1      VAL  31  -9.625   2.296  -0.099
  245   1HG2  VAL  31          1HG2      VAL  31  -8.666   4.195  -2.214
  246   2HG2  VAL  31          2HG2      VAL  31  -9.500   4.312  -0.666
  247   3HG2  VAL  31          3HG2      VAL  31 -10.219   5.022  -2.112
  248    H    THR  32           H        THR  32  -7.560   2.383  -4.576
  249    HA   THR  32           HA       THR  32  -5.820   0.822  -2.880
  250    HB   THR  32           HB       THR  32  -4.184   2.020  -4.733
  251    HG1  THR  32           1HG      THR  32  -5.341   2.073  -6.660
  252   1HG2  THR  32          1HG2      THR  32  -3.848  -0.091  -5.265
  253   2HG2  THR  32          2HG2      THR  32  -5.433  -0.176  -6.031
  254   3HG2  THR  32          3HG2      THR  32  -5.262  -0.544  -4.315
  255    H    ILE  33           H        ILE  33  -5.346   1.749  -1.009
  256    HA   ILE  33           HA       ILE  33  -3.903   4.299  -1.098
  257    HB   ILE  33           HB       ILE  33  -5.701   3.840   1.225
  258   1HG1  ILE  33          2HG1      ILE  33  -7.122   3.573  -0.825
  259   2HG1  ILE  33          1HG1      ILE  33  -7.561   4.963   0.164
  260   1HG2  ILE  33          1HG2      ILE  33  -4.805   6.348  -0.171
  261   2HG2  ILE  33          2HG2      ILE  33  -4.008   5.619   1.223
  262   3HG2  ILE  33          3HG2      ILE  33  -5.651   6.242   1.372
  263   1HD1  ILE  33          1HD1      ILE  33  -7.381   6.248  -1.622
  264   2HD1  ILE  33          2HD1      ILE  33  -6.834   4.874  -2.584
  265   3HD1  ILE  33          3HD1      ILE  33  -5.662   5.860  -1.711
  266    H    ILE  34           H        ILE  34  -2.104   4.292   0.046
  267    HA   ILE  34           HA       ILE  34  -1.752   2.271   2.141
  268    HB   ILE  34           HB       ILE  34  -0.396   2.330  -0.355
  269   1HG1  ILE  34          2HG1      ILE  34   0.768   0.342   0.625
  270   2HG1  ILE  34          1HG1      ILE  34   0.034   0.734   2.177
  271   1HG2  ILE  34          1HG2      ILE  34   1.977   2.331   0.480
  272   2HG2  ILE  34          2HG2      ILE  34   1.376   3.064   1.969
  273   3HG2  ILE  34          3HG2      ILE  34   1.199   3.914   0.430
  274   1HD1  ILE  34          1HD1      ILE  34  -1.082  -0.636  -0.116
  275   2HD1  ILE  34          2HD1      ILE  34  -2.107   0.686   0.444
  276   3HD1  ILE  34          3HD1      ILE  34  -1.632  -0.593   1.560
  277    H    LYS  35           H        LYS  35  -1.548   3.346   3.960
  278    HA   LYS  35           HA       LYS  35  -1.209   6.016   4.329
  279   1HB   LYS  35          2HB       LYS  35  -0.244   5.330   6.640
  280   2HB   LYS  35          1HB       LYS  35  -1.880   4.846   6.227
  281   1HG   LYS  35          2HG       LYS  35   0.180   2.910   5.474
  282   2HG   LYS  35          1HG       LYS  35   0.027   3.193   7.204
  283   1HD   LYS  35          2HD       LYS  35  -2.572   2.972   6.524
  284   2HD   LYS  35          1HD       LYS  35  -1.838   1.903   5.326
  285   1HE   LYS  35          2HE       LYS  35  -1.165   0.393   6.885
  286   2HE   LYS  35          1HE       LYS  35  -0.898   1.625   8.118
  287   1HZ   LYS  35          1HZ       LYS  35  -3.230   0.032   7.601
  288   2HZ   LYS  35          2HZ       LYS  35  -3.583   1.677   7.761
  289   3HZ   LYS  35          3HZ       LYS  35  -2.778   0.860   9.004
  290    H    LEU  36           H        LEU  36   0.533   7.229   5.378
  291    HA   LEU  36           HA       LEU  36   2.892   7.077   3.769
  292   1HB   LEU  36          2HB       LEU  36   1.587   9.077   5.059
  293   2HB   LEU  36          1HB       LEU  36   2.951   8.818   6.132
  294    HG   LEU  36           HG       LEU  36   3.606   9.016   3.257
  295   1HD1  LEU  36          1HD1      LEU  36   2.942  11.108   2.853
  296   2HD1  LEU  36          2HD1      LEU  36   3.327  11.649   4.487
  297   3HD1  LEU  36          3HD1      LEU  36   1.793  10.843   4.163
  298   1HD2  LEU  36          1HD2      LEU  36   5.069  10.774   4.932
  299   2HD2  LEU  36          2HD2      LEU  36   5.607   9.275   4.174
  300   3HD2  LEU  36          3HD2      LEU  36   4.891   9.240   5.784
  301    H    GLU  37           H        GLU  37   2.038   5.939   6.916
  302    HA   GLU  37           HA       GLU  37   4.590   5.781   8.074
  303   1HB   GLU  37          2HB       GLU  37   2.123   4.100   8.519
  304   2HB   GLU  37          1HB       GLU  37   3.565   4.009   9.520
  305   1HG   GLU  37          2HG       GLU  37   3.168   6.008  10.526
  306   2HG   GLU  37          1HG       GLU  37   2.327   6.674   9.126
  307    H    ASP  38           H        ASP  38   3.331   4.067   5.423
  308    HA   ASP  38           HA       ASP  38   5.362   1.965   5.778
  309   1HB   ASP  38          2HB       ASP  38   2.610   1.687   5.343
  310   2HB   ASP  38          1HB       ASP  38   3.359   1.304   3.796
  311    H    TRP  39           H        TRP  39   5.578   4.689   4.484
  312    HA   TRP  39           HA       TRP  39   6.092   3.907   1.707
  313   1HB   TRP  39          2HB       TRP  39   5.284   5.953   1.281
  314   2HB   TRP  39          1HB       TRP  39   5.263   6.354   2.993
  315    HD1  TRP  39           HD       TRP  39   7.167   6.998  -0.201
  316    HE1  TRP  39           1HE      TRP  39   9.077   8.658   0.259
  317    HE3  TRP  39           3HE      TRP  39   6.938   7.118   4.908
  318    HZ2  TRP  39           2HZ      TRP  39  10.305   9.887   2.491
  319    HZ3  TRP  39           3HZ      TRP  39   8.509   8.566   6.128
  320    HH2  TRP  39           HH       TRP  39  10.159   9.921   4.942
  321    HA   PRO  40           HA       PRO  40  10.465   3.483   2.111
  322   1HB   PRO  40          2HB       PRO  40  10.768   5.232  -0.261
  323   2HB   PRO  40          1HB       PRO  40  11.322   3.576  -0.005
  324   1HG   PRO  40          2HG       PRO  40   9.246   4.121  -1.596
  325   2HG   PRO  40          1HG       PRO  40   9.297   2.668  -0.590
  326   1HD   PRO  40          2HD       PRO  40   7.763   5.186  -0.196
  327   2HD   PRO  40          1HD       PRO  40   7.300   3.515   0.176
  328    HA   PRO  41           HA       PRO  41  11.408   7.453   4.089
  329   1HB   PRO  41          2HB       PRO  41  13.425   6.539   5.634
  330   2HB   PRO  41          1HB       PRO  41  11.727   6.271   6.041
  331   1HG   PRO  41          2HG       PRO  41  13.678   4.410   4.741
  332   2HG   PRO  41          1HG       PRO  41  12.490   4.074   6.015
  333   1HD   PRO  41          2HD       PRO  41  12.071   3.468   3.395
  334   2HD   PRO  41          1HD       PRO  41  10.757   3.875   4.516
  335    H    ASN  42           H        ASN  42  13.196   5.479   1.986
  336    HA   ASN  42           HA       ASN  42  15.721   6.660   1.977
  337   1HB   ASN  42          2HB       ASN  42  14.843   4.566   0.723
  338   2HB   ASN  42          1HB       ASN  42  14.382   5.703  -0.540
  339   1HD2  ASN  42          1HD2      ASN  42  15.866   6.320  -1.961
  340   2HD2  ASN  42          2HD2      ASN  42  17.557   5.980  -1.853
  341    H    TRP  43           H        TRP  43  12.757   7.554   0.250
  342    HA   TRP  43           HA       TRP  43  14.047  10.124  -0.408
  343   1HB   TRP  43          2HB       TRP  43  12.971  10.177  -2.544
  344   2HB   TRP  43          1HB       TRP  43  13.751   8.606  -2.399
  345    HD1  TRP  43           HD       TRP  43  10.208  10.104  -1.857
  346    HE1  TRP  43           1HE      TRP  43   8.485   8.329  -2.563
  347    HE3  TRP  43           3HE      TRP  43  13.397   6.283  -3.029
  348    HZ2  TRP  43           2HZ      TRP  43   8.471   5.678  -3.491
  349    HZ3  TRP  43           3HZ      TRP  43  12.442   4.158  -3.821
  350    HH2  TRP  43           HH       TRP  43  10.026   3.868  -4.044
  351    HA   PRO  44           HA       PRO  44  10.626  11.956   1.729
  352   1HB   PRO  44          2HB       PRO  44  10.668  14.434   0.601
  353   2HB   PRO  44          1HB       PRO  44  11.847  13.906   1.809
  354   1HG   PRO  44          2HG       PRO  44  12.107  14.012  -1.173
  355   2HG   PRO  44          1HG       PRO  44  13.277  14.491   0.070
  356   1HD   PRO  44          2HD       PRO  44  13.446  12.135  -1.239
  357   2HD   PRO  44          1HD       PRO  44  13.950  12.314   0.453
  358    H    ILE  45           H        ILE  45   8.442  12.294   1.417
  359    HA   ILE  45           HA       ILE  45   7.519  12.295  -1.378
  360    HB   ILE  45           HB       ILE  45   5.487  11.000  -0.428
  361   1HG1  ILE  45          2HG1      ILE  45   6.430   9.313   1.322
  362   2HG1  ILE  45          1HG1      ILE  45   7.566  10.598   1.700
  363   1HG2  ILE  45          1HG2      ILE  45   6.631   8.859  -0.917
  364   2HG2  ILE  45          2HG2      ILE  45   8.169   9.727  -0.922
  365   3HG2  ILE  45          3HG2      ILE  45   6.936  10.114  -2.119
  366   1HD1  ILE  45          1HD1      ILE  45   5.965  11.124   3.188
  367   2HD1  ILE  45          2HD1      ILE  45   4.675  10.387   2.230
  368   3HD1  ILE  45          3HD1      ILE  45   5.294  11.982   1.804
  369    H    THR  46           H        THR  46   5.036  12.650  -1.372
  370    HA   THR  46           HA       THR  46   4.615  15.307  -0.440
  371    HB   THR  46           HB       THR  46   2.221  14.600  -1.429
  372    HG1  THR  46           1HG      THR  46   2.767  13.095  -3.174
  373   1HG2  THR  46          1HG2      THR  46   2.795  15.755  -3.267
  374   2HG2  THR  46          2HG2      THR  46   4.236  14.780  -3.554
  375   3HG2  THR  46          3HG2      THR  46   4.275  16.081  -2.364
  376    H    ASP  47           H        ASP  47   2.165  15.682   0.444
  377    HA   ASP  47           HA       ASP  47   0.777  14.128   2.135
  378   1HB   ASP  47          2HB       ASP  47   2.772  13.505   3.375
  379   2HB   ASP  47          1HB       ASP  47   3.234  15.199   3.546
  380    H    THR  48           H        THR  48   2.667  17.042   2.800
  381    HA   THR  48           HA       THR  48   0.365  18.754   2.483
  382    HB   THR  48           HB       THR  48   0.643  19.753   4.768
  383    HG1  THR  48           1HG      THR  48   2.082  17.378   5.317
  384   1HG2  THR  48          1HG2      THR  48  -0.031  16.871   5.133
  385   2HG2  THR  48          2HG2      THR  48  -1.069  17.921   4.166
  386   3HG2  THR  48          3HG2      THR  48  -0.768  18.297   5.863
  387    H    LEU  49           H        LEU  49   1.074  20.453   1.417
  388    HA   LEU  49           HA       LEU  49   3.861  21.297   1.817
  389   1HB   LEU  49          2HB       LEU  49   3.194  20.395  -0.417
  390   2HB   LEU  49          1HB       LEU  49   2.165  21.784  -0.625
  391    HG   LEU  49           HG       LEU  49   4.055  23.263  -0.678
  392   1HD1  LEU  49          1HD1      LEU  49   5.770  22.723   0.654
  393   2HD1  LEU  49          2HD1      LEU  49   6.343  21.755  -0.703
  394   3HD1  LEU  49          3HD1      LEU  49   5.401  21.001   0.582
  395   1HD2  LEU  49          1HD2      LEU  49   4.476  22.792  -2.808
  396   2HD2  LEU  49          2HD2      LEU  49   3.559  21.303  -2.579
  397   3HD2  LEU  49          3HD2      LEU  49   5.312  21.298  -2.386
  398    H    THR  50           H        THR  50   4.082  23.650   0.996
  399    HA   THR  50           HA       THR  50   2.174  25.353   2.416
  400    HB   THR  50           HB       THR  50   4.349  26.904   2.387
  401    HG1  THR  50           1HG      THR  50   5.424  24.289   2.544
  402   1HG2  THR  50          1HG2      THR  50   3.268  26.334   4.439
  403   2HG2  THR  50          2HG2      THR  50   4.993  25.997   4.596
  404   3HG2  THR  50          3HG2      THR  50   3.856  24.674   4.340
  405    H    ASN  51           H        ASN  51   1.001  26.685   1.096
  406    HA   ASN  51           HA       ASN  51   2.360  27.802  -1.248
  407   1HB   ASN  51          2HB       ASN  51   0.495  25.888  -1.579
  408   2HB   ASN  51          1HB       ASN  51  -0.545  27.301  -1.531
  409   1HD2  ASN  51          1HD2      ASN  51   1.063  29.171  -2.732
  410   2HD2  ASN  51          2HD2      ASN  51   1.319  28.737  -4.384
  411    H    LEU  52           H        LEU  52   2.583  29.914  -0.494
  412    HA   LEU  52           HA       LEU  52   0.510  30.948   1.156
  413   1HB   LEU  52          2HB       LEU  52   2.526  32.695  -0.168
  414   2HB   LEU  52          1HB       LEU  52   1.678  32.897   1.353
  415    HG   LEU  52           HG       LEU  52   3.739  32.331   2.166
  416   1HD1  LEU  52          1HD1      LEU  52   1.932  30.338   2.422
  417   2HD1  LEU  52          2HD1      LEU  52   3.514  30.348   3.195
  418   3HD1  LEU  52          3HD1      LEU  52   3.276  29.469   1.685
  419   1HD2  LEU  52          1HD2      LEU  52   5.447  31.550   0.936
  420   2HD2  LEU  52          2HD2      LEU  52   4.361  31.861  -0.418
  421   3HD2  LEU  52          3HD2      LEU  52   4.493  30.234   0.251
  422    H    ARG  53           H        ARG  53  -1.340  31.063   0.274
  423    HA   ARG  53           HA       ARG  53  -1.699  32.875  -1.978
  424   1HB   ARG  53          2HB       ARG  53  -2.822  30.201  -1.558
  425   2HB   ARG  53          1HB       ARG  53  -3.985  31.420  -2.062
  426   1HG   ARG  53          2HG       ARG  53  -2.930  31.766  -4.098
  427   2HG   ARG  53          1HG       ARG  53  -1.407  31.073  -3.536
  428   1HD   ARG  53          2HD       ARG  53  -3.373  29.065  -3.281
  429   2HD   ARG  53          1HD       ARG  53  -3.589  29.794  -4.871
  430    HE   ARG  53           HE       ARG  53  -1.296  28.276  -3.935
  431   1HH1  ARG  53          1HH1      ARG  53  -2.628  30.357  -6.407
  432   2HH1  ARG  53          2HH1      ARG  53  -1.500  29.847  -7.616
  433   1HH2  ARG  53          1HH2      ARG  53   0.183  27.606  -5.534
  434   2HH2  ARG  53          2HH2      ARG  53   0.095  28.289  -7.122
  435    H    GLY  54           H        GLY  54  -3.135  31.468   0.779
  436   1HA   GLY  54          2HA       GLY  54  -5.400  32.927   1.206
  437   2HA   GLY  54          1HA       GLY  54  -4.422  32.270   2.505
  438    H    ILE  55           H        ILE  55  -4.230  34.948   0.224
  439    HA   ILE  55           HA       ILE  55  -3.485  37.094   0.392
  440    HB   ILE  55           HB       ILE  55  -4.385  38.398   2.294
  441   1HG1  ILE  55          2HG1      ILE  55  -5.896  36.118   3.382
  442   2HG1  ILE  55          1HG1      ILE  55  -4.173  36.067   3.650
  443   1HG2  ILE  55          1HG2      ILE  55  -6.722  38.155   1.791
  444   2HG2  ILE  55          2HG2      ILE  55  -6.469  36.509   1.209
  445   3HG2  ILE  55          3HG2      ILE  55  -5.798  37.873   0.315
  446   1HD1  ILE  55          1HD1      ILE  55  -5.097  38.686   4.257
  447   2HD1  ILE  55          2HD1      ILE  55  -4.364  37.492   5.329
  448   3HD1  ILE  55          3HD1      ILE  55  -6.112  37.508   5.088
  449    H    GLY  56           H        GLY  56  -2.072  34.799   1.259
  450   1HA   GLY  56          2HA       GLY  56   0.313  35.646   2.095
  451   2HA   GLY  56          1HA       GLY  56  -0.583  35.483   3.606
  452    H    GLN  57           H        GLN  57  -0.450  33.545   4.543
  453    HA   GLN  57           HA       GLN  57   0.432  31.343   2.842
  454   1HB   GLN  57          2HB       GLN  57   0.496  31.427   5.846
  455   2HB   GLN  57          1HB       GLN  57   1.316  30.282   4.794
  456   1HG   GLN  57          2HG       GLN  57   3.092  31.596   4.940
  457   2HG   GLN  57          1HG       GLN  57   2.222  32.739   3.919
  458   1HE2  GLN  57          1HE2      GLN  57   1.934  31.770   7.322
  459   2HE2  GLN  57          2HE2      GLN  57   2.049  33.369   7.964
  460    H    SER  58           H        SER  58  -0.908  30.022   2.096
  461    HA   SER  58           HA       SER  58  -3.060  28.957   3.802
  462   1HB   SER  58          2HB       SER  58  -3.935  28.236   1.385
  463   2HB   SER  58          1HB       SER  58  -4.311  29.827   2.046
  464    HG   SER  58           HG       SER  58  -2.429  29.115   0.079
  465    H    ASN  59           H        ASN  59  -2.479  26.929   4.470
  466    HA   ASN  59           HA       ASN  59  -0.202  25.658   3.514
  467   1HB   ASN  59          2HB       ASN  59  -2.396  24.067   4.791
  468   2HB   ASN  59          1HB       ASN  59  -0.643  23.861   4.906
  469   1HD2  ASN  59          1HD2      ASN  59   0.258  24.550   6.699
  470   2HD2  ASN  59          2HD2      ASN  59  -0.384  25.733   7.781
  471    H    ASN  60           H        ASN  60   0.255  24.671   1.784
  472    HA   ASN  60           HA       ASN  60  -1.623  23.955  -0.217
  473   1HB   ASN  60          2HB       ASN  60   0.977  24.602  -0.265
  474   2HB   ASN  60          1HB       ASN  60   1.134  22.858  -0.251
  475   1HD2  ASN  60          1HD2      ASN  60  -1.288  24.912  -1.815
  476   2HD2  ASN  60          2HD2      ASN  60  -0.954  24.373  -3.422
  477    HA   PRO  61           HA       PRO  61  -2.068  19.586   0.823
  478   1HB   PRO  61          2HB       PRO  61  -3.632  19.016  -1.170
  479   2HB   PRO  61          1HB       PRO  61  -4.024  20.459  -0.217
  480   1HG   PRO  61          2HG       PRO  61  -2.716  20.271  -2.910
  481   2HG   PRO  61          1HG       PRO  61  -3.889  21.463  -2.317
  482   1HD   PRO  61          2HD       PRO  61  -0.993  21.684  -2.283
  483   2HD   PRO  61          1HD       PRO  61  -2.199  22.823  -1.631
  484    H    LYS  62           H        LYS  62  -0.742  17.761   0.578
  485    HA   LYS  62           HA       LYS  62  -0.077  16.951  -2.142
  486   1HB   LYS  62          2HB       LYS  62   1.973  17.267   0.036
  487   2HB   LYS  62          1HB       LYS  62   2.258  16.508  -1.518
  488   1HG   LYS  62          2HG       LYS  62   1.404  18.735  -2.489
  489   2HG   LYS  62          1HG       LYS  62   1.766  19.352  -0.872
  490   1HD   LYS  62          2HD       LYS  62   3.890  19.602  -1.599
  491   2HD   LYS  62          1HD       LYS  62   4.007  17.847  -1.548
  492   1HE   LYS  62          2HE       LYS  62   3.639  17.631  -3.825
  493   2HE   LYS  62          1HE       LYS  62   2.872  19.215  -3.952
  494   1HZ   LYS  62          1HZ       LYS  62   4.821  20.171  -4.360
  495   2HZ   LYS  62          2HZ       LYS  62   5.472  18.621  -4.556
  496   3HZ   LYS  62          3HZ       LYS  62   5.579  19.400  -3.058
  497    H    GLN  63           H        GLN  63   0.382  14.735  -2.392
  498    HA   GLN  63           HA       GLN  63   0.232  12.960  -0.102
  499   1HB   GLN  63          2HB       GLN  63  -1.924  13.089  -2.202
  500   2HB   GLN  63          1HB       GLN  63  -1.633  11.635  -1.257
  501   1HG   GLN  63          2HG       GLN  63  -3.186  12.535   0.088
  502   2HG   GLN  63          1HG       GLN  63  -1.808  13.430   0.726
  503   1HE2  GLN  63          1HE2      GLN  63  -2.757  15.295   1.298
  504   2HE2  GLN  63          2HE2      GLN  63  -3.584  16.351   0.210
  505    H    SER  64           H        SER  64   1.535  11.261  -0.416
  506    HA   SER  64           HA       SER  64   3.122  11.022  -2.709
  507   1HB   SER  64          2HB       SER  64   3.252   9.973  -0.206
  508   2HB   SER  64          1HB       SER  64   2.816   8.550  -1.153
  509    HG   SER  64           HG       SER  64   4.625   8.819  -2.388
  510    H    SER  65           H        SER  65   3.314   9.374  -4.247
  511    HA   SER  65           HA       SER  65   0.751   8.089  -4.938
  512   1HB   SER  65          2HB       SER  65   1.737   9.993  -6.435
  513   2HB   SER  65          1HB       SER  65   2.831   8.733  -7.002
  514    HG   SER  65           HG       SER  65   1.182   7.674  -7.899
  515    H    LYS  66           H        LYS  66   4.084   7.619  -4.284
  516    HA   LYS  66           HA       LYS  66   5.102   5.567  -5.579
  517   1HB   LYS  66          2HB       LYS  66   5.956   4.635  -3.445
  518   2HB   LYS  66          1HB       LYS  66   6.123   6.382  -3.551
  519   1HG   LYS  66          2HG       LYS  66   4.906   6.687  -1.724
  520   2HG   LYS  66          1HG       LYS  66   3.608   5.668  -2.343
  521   1HD   LYS  66          2HD       LYS  66   6.122   4.592  -1.087
  522   2HD   LYS  66          1HD       LYS  66   4.635   4.891  -0.189
  523   1HE   LYS  66          2HE       LYS  66   4.033   2.818  -0.729
  524   2HE   LYS  66          1HE       LYS  66   3.815   3.406  -2.376
  525   1HZ   LYS  66          1HZ       LYS  66   5.275   1.752  -2.790
  526   2HZ   LYS  66          2HZ       LYS  66   5.966   1.798  -1.247
  527   3HZ   LYS  66          3HZ       LYS  66   6.412   2.945  -2.406
  528    H    TYR  67           H        TYR  67   4.780   3.416  -6.008
  529    HA   TYR  67           HA       TYR  67   2.229   2.320  -5.074
  530   1HB   TYR  67          2HB       TYR  67   2.572   0.615  -6.895
  531   2HB   TYR  67          1HB       TYR  67   2.328   2.260  -7.444
  532    HD1  TYR  67           1HD      TYR  67   3.577   2.888  -9.222
  533    HD2  TYR  67           2HD      TYR  67   5.211   0.096  -6.470
  534    HE1  TYR  67           1HE      TYR  67   5.581   2.708 -10.612
  535    HE2  TYR  67           2HE      TYR  67   7.229  -0.091  -7.845
  536    HH   TYR  67           HH       TYR  67   7.780   0.289 -10.377
  537    H    LEU  68           H        LEU  68   2.074   0.080  -4.548
  538    HA   LEU  68           HA       LEU  68   4.497  -0.869  -3.188
  539   1HB   LEU  68          2HB       LEU  68   1.969  -0.401  -2.159
  540   2HB   LEU  68          1HB       LEU  68   1.998  -2.139  -2.388
  541    HG   LEU  68           HG       LEU  68   3.923  -2.364  -0.962
  542   1HD1  LEU  68          1HD1      LEU  68   5.405  -0.711  -0.927
  543   2HD1  LEU  68          2HD1      LEU  68   4.335   0.114   0.207
  544   3HD1  LEU  68          3HD1      LEU  68   4.226   0.457  -1.521
  545   1HD2  LEU  68          1HD2      LEU  68   1.418  -1.413  -0.111
  546   2HD2  LEU  68          2HD2      LEU  68   2.628  -0.597   0.879
  547   3HD2  LEU  68          3HD2      LEU  68   2.590  -2.357   0.806
  548    H    THR  69           H        THR  69   5.257  -2.854  -3.563
  549    HA   THR  69           HA       THR  69   3.975  -4.401  -5.707
  550    HB   THR  69           HB       THR  69   6.284  -5.476  -5.852
  551    HG1  THR  69           1HG      THR  69   7.110  -3.181  -4.425
  552   1HG2  THR  69          1HG2      THR  69   7.302  -3.671  -7.100
  553   2HG2  THR  69          2HG2      THR  69   6.160  -2.521  -6.400
  554   3HG2  THR  69          3HG2      THR  69   5.584  -3.795  -7.473
  555    H    TRP  70           H        TRP  70   2.615  -5.766  -4.702
  556    HA   TRP  70           HA       TRP  70   3.636  -7.340  -2.464
  557   1HB   TRP  70          2HB       TRP  70   1.282  -6.074  -2.606
  558   2HB   TRP  70          1HB       TRP  70   0.805  -7.591  -3.344
  559    HD1  TRP  70           HD       TRP  70   3.402  -8.030  -0.684
  560    HE1  TRP  70           1HE      TRP  70   2.325  -8.986   1.445
  561    HE3  TRP  70           3HE      TRP  70  -1.520  -7.445  -1.922
  562    HZ2  TRP  70           2HZ      TRP  70  -0.261  -9.418   2.474
  563    HZ3  TRP  70           3HZ      TRP  70  -3.235  -8.149  -0.308
  564    HH2  TRP  70           HH       TRP  70  -2.615  -9.117   1.846
  565    H    ARG  71           H        ARG  71   3.652  -9.565  -2.533
  566    HA   ARG  71           HA       ARG  71   2.655 -11.085  -4.718
  567   1HB   ARG  71          2HB       ARG  71   5.432 -10.100  -4.818
  568   2HB   ARG  71          1HB       ARG  71   5.213 -11.807  -5.171
  569   1HG   ARG  71          2HG       ARG  71   4.157 -11.408  -7.130
  570   2HG   ARG  71          1HG       ARG  71   3.391  -9.936  -6.547
  571   1HD   ARG  71          2HD       ARG  71   6.334  -9.897  -6.842
  572   2HD   ARG  71          1HD       ARG  71   5.378  -9.929  -8.322
  573    HE   ARG  71           HE       ARG  71   4.639  -7.932  -6.342
  574   1HH1  ARG  71          1HH1      ARG  71   6.401  -8.664  -9.275
  575   2HH1  ARG  71          2HH1      ARG  71   6.447  -7.016  -9.799
  576   1HH2  ARG  71          1HH2      ARG  71   4.701  -5.772  -7.047
  577   2HH2  ARG  71          2HH2      ARG  71   5.492  -5.381  -8.535
  578    H    ASP  72           H        ASP  72   2.758 -13.293  -4.374
  579    HA   ASP  72           HA       ASP  72   3.312 -14.053  -1.648
  580   1HB   ASP  72          2HB       ASP  72   2.808 -16.231  -3.579
  581   2HB   ASP  72          1HB       ASP  72   2.036 -15.902  -2.035
  582    H    LYS  73           H        LYS  73   4.654 -15.991  -1.209
  583    HA   LYS  73           HA       LYS  73   7.269 -15.685  -1.666
  584   1HB   LYS  73          2HB       LYS  73   7.635 -17.971  -1.065
  585   2HB   LYS  73          1HB       LYS  73   6.243 -17.386  -0.168
  586   1HG   LYS  73          2HG       LYS  73   6.144 -19.076  -2.658
  587   2HG   LYS  73          1HG       LYS  73   5.898 -19.641  -1.010
  588   1HD   LYS  73          2HD       LYS  73   4.062 -17.721  -1.034
  589   2HD   LYS  73          1HD       LYS  73   4.103 -18.062  -2.763
  590   1HE   LYS  73          2HE       LYS  73   4.017 -20.444  -1.060
  591   2HE   LYS  73          1HE       LYS  73   2.598 -19.406  -0.925
  592   1HZ   LYS  73          1HZ       LYS  73   3.503 -19.927  -3.629
  593   2HZ   LYS  73          2HZ       LYS  73   1.935 -19.901  -2.997
  594   3HZ   LYS  73          3HZ       LYS  73   2.903 -21.276  -2.801
  595    H    GLU  74           H        GLU  74   5.054 -16.989  -4.027
  596    HA   GLU  74           HA       GLU  74   7.284 -17.802  -5.717
  597   1HB   GLU  74          2HB       GLU  74   4.618 -18.686  -5.440
  598   2HB   GLU  74          1HB       GLU  74   4.712 -17.934  -7.025
  599   1HG   GLU  74          2HG       GLU  74   6.967 -19.681  -6.475
  600   2HG   GLU  74          1HG       GLU  74   5.415 -20.514  -6.405
  601    H    ASN  75           H        ASN  75   6.731 -15.036  -4.898
  602    HA   ASN  75           HA       ASN  75   6.564 -12.929  -5.726
  603   1HB   ASN  75          2HB       ASN  75   7.871 -12.482  -7.718
  604   2HB   ASN  75          1HB       ASN  75   8.693 -13.686  -6.731
  605   1HD2  ASN  75          1HD2      ASN  75   8.840 -15.797  -7.458
  606   2HD2  ASN  75          2HD2      ASN  75   8.522 -16.233  -9.099
  607    H    ASN  76           H        ASN  76   4.110 -13.982  -5.838
  608    HA   ASN  76           HA       ASN  76   3.091 -12.960  -8.424
  609   1HB   ASN  76          2HB       ASN  76   1.907 -15.381  -7.066
  610   2HB   ASN  76          1HB       ASN  76   1.507 -14.738  -8.652
  611   1HD2  ASN  76          1HD2      ASN  76   4.264 -14.270  -9.397
  612   2HD2  ASN  76          2HD2      ASN  76   4.952 -15.816  -9.721
  613    H    SER  77           H        SER  77   1.492 -11.475  -8.228
  614    HA   SER  77           HA       SER  77  -0.705 -11.635  -6.579
  615   1HB   SER  77          2HB       SER  77   0.602 -11.414  -4.611
  616   2HB   SER  77          1HB       SER  77   1.516 -10.076  -5.294
  617    HG   SER  77           HG       SER  77  -0.138  -8.737  -4.965
  618    H    GLY  78           H        GLY  78   1.219  -8.632  -6.694
  619   1HA   GLY  78          2HA       GLY  78   0.135  -7.603  -9.058
  620   2HA   GLY  78          1HA       GLY  78  -0.941  -7.168  -7.744
  621    H    LEU  79           H        LEU  79  -0.018  -5.111  -8.959
  622    HA   LEU  79           HA       LEU  79   1.753  -3.851  -7.048
  623   1HB   LEU  79          2HB       LEU  79   3.386  -4.772  -8.518
  624   2HB   LEU  79          1HB       LEU  79   2.482  -4.293  -9.937
  625    HG   LEU  79           HG       LEU  79   3.067  -1.999  -9.641
  626   1HD1  LEU  79          1HD1      LEU  79   3.697  -2.882  -6.909
  627   2HD1  LEU  79          2HD1      LEU  79   3.099  -1.330  -7.490
  628   3HD1  LEU  79          3HD1      LEU  79   4.816  -1.713  -7.604
  629   1HD2  LEU  79          1HD2      LEU  79   5.730  -2.683  -9.098
  630   2HD2  LEU  79          2HD2      LEU  79   4.954  -2.549 -10.675
  631   3HD2  LEU  79          3HD2      LEU  79   5.004  -4.106  -9.847
  632    H    ILE  80           H        ILE  80   1.065  -1.743  -6.763
  633    HA   ILE  80           HA       ILE  80  -0.074  -0.278  -8.990
  634    HB   ILE  80           HB       ILE  80  -2.213   0.194  -7.572
  635   1HG1  ILE  80          2HG1      ILE  80  -2.994  -1.871  -6.405
  636   2HG1  ILE  80          1HG1      ILE  80  -1.379  -2.547  -6.596
  637   1HG2  ILE  80          1HG2      ILE  80  -3.281  -0.933  -9.181
  638   2HG2  ILE  80          2HG2      ILE  80  -2.498  -2.458  -8.768
  639   3HG2  ILE  80          3HG2      ILE  80  -1.666  -1.290  -9.794
  640   1HD1  ILE  80          1HD1      ILE  80  -2.203  -1.243  -4.407
  641   2HD1  ILE  80          2HD1      ILE  80  -1.520   0.101  -5.323
  642   3HD1  ILE  80          3HD1      ILE  80  -0.522  -1.300  -4.935
  643    H    LYS  81           H        LYS  81  -0.380   1.927  -8.637
  644    HA   LYS  81           HA       LYS  81   1.072   2.991  -6.341
  645   1HB   LYS  81          2HB       LYS  81   1.024   5.124  -7.642
  646   2HB   LYS  81          1HB       LYS  81   1.850   3.799  -8.451
  647   1HG   LYS  81          2HG       LYS  81  -1.000   4.025  -9.089
  648   2HG   LYS  81          1HG       LYS  81  -0.015   5.397  -9.597
  649   1HD   LYS  81          2HD       LYS  81   1.358   4.046 -10.946
  650   2HD   LYS  81          1HD       LYS  81   0.787   2.561 -10.181
  651   1HE   LYS  81          2HE       LYS  81  -0.909   4.394 -11.872
  652   2HE   LYS  81          1HE       LYS  81  -0.139   2.918 -12.451
  653   1HZ   LYS  81          1HZ       LYS  81  -1.781   1.705 -11.617
  654   2HZ   LYS  81          2HZ       LYS  81  -2.620   3.135 -11.289
  655   3HZ   LYS  81          3HZ       LYS  81  -1.655   2.430 -10.093
  656    HA   PRO  82           HA       PRO  82  -3.057   4.186  -4.861
  657   1HB   PRO  82          2HB       PRO  82  -2.666   3.687  -2.285
  658   2HB   PRO  82          1HB       PRO  82  -2.859   2.352  -3.423
  659   1HG   PRO  82          2HG       PRO  82  -0.368   3.456  -2.197
  660   2HG   PRO  82          1HG       PRO  82  -0.821   1.766  -2.491
  661   1HD   PRO  82          2HD       PRO  82   0.826   3.294  -4.126
  662   2HD   PRO  82          1HD       PRO  82  -0.015   1.815  -4.612
  663    H    PHE  83           H        PHE  83  -3.365   5.490  -2.539
  664    HA   PHE  83           HA       PHE  83  -1.704   7.889  -2.866
  665   1HB   PHE  83          2HB       PHE  83  -4.560   7.445  -2.348
  666   2HB   PHE  83          1HB       PHE  83  -3.830   8.630  -1.270
  667    HD1  PHE  83           1HD      PHE  83  -2.160  10.293  -2.621
  668    HD2  PHE  83           2HD      PHE  83  -5.560   8.292  -4.218
  669    HE1  PHE  83           1HE      PHE  83  -2.338  12.006  -4.378
  670    HE2  PHE  83           2HE      PHE  83  -5.745  10.001  -5.977
  671    HZ   PHE  83           HZ       PHE  83  -4.132  11.861  -6.061
  672    H    VAL  84           H        VAL  84  -0.231   8.218  -1.330
  673    HA   VAL  84           HA       VAL  84  -0.504   6.829   1.202
  674    HB   VAL  84           HB       VAL  84   1.949   8.283   0.305
  675   1HG1  VAL  84          1HG1      VAL  84   3.024   7.169   1.927
  676   2HG1  VAL  84          2HG1      VAL  84   2.015   5.729   1.759
  677   3HG1  VAL  84          3HG1      VAL  84   1.403   7.140   2.624
  678   1HG2  VAL  84          1HG2      VAL  84   0.935   5.644  -0.657
  679   2HG2  VAL  84          2HG2      VAL  84   2.670   5.914  -0.479
  680   3HG2  VAL  84          3HG2      VAL  84   1.724   6.937  -1.563
  681    H    ILE  85           H        ILE  85  -1.371   7.911   2.763
  682    HA   ILE  85           HA       ILE  85  -0.593  10.724   3.161
  683    HB   ILE  85           HB       ILE  85  -3.328   9.565   3.733
  684   1HG1  ILE  85          2HG1      ILE  85  -4.004  11.272   1.944
  685   2HG1  ILE  85          1HG1      ILE  85  -2.301  11.321   1.506
  686   1HG2  ILE  85          1HG2      ILE  85  -2.628  11.321   5.301
  687   2HG2  ILE  85          2HG2      ILE  85  -3.967  11.844   4.279
  688   3HG2  ILE  85          3HG2      ILE  85  -2.329  12.404   3.941
  689   1HD1  ILE  85          1HD1      ILE  85  -3.126   8.603   1.644
  690   2HD1  ILE  85          2HD1      ILE  85  -2.557   9.525   0.251
  691   3HD1  ILE  85          3HD1      ILE  85  -4.274   9.505   0.654
  692    HA   PRO  86           HA       PRO  86   0.432   9.136   7.165
  693   1HB   PRO  86          2HB       PRO  86   0.660  11.676   8.385
  694   2HB   PRO  86          1HB       PRO  86   1.944  10.749   7.613
  695   1HG   PRO  86          2HG       PRO  86   0.851  13.176   6.713
  696   2HG   PRO  86          1HG       PRO  86   1.942  12.112   5.819
  697   1HD   PRO  86          2HD       PRO  86  -0.995  12.429   5.596
  698   2HD   PRO  86          1HD       PRO  86   0.186  11.931   4.369
  699    H    ASN  87           H        ASN  87  -2.314   9.020   6.754
  700    HA   ASN  87           HA       ASN  87  -3.272   9.838   9.390
  701   1HB   ASN  87          2HB       ASN  87  -4.287  10.702   6.820
  702   2HB   ASN  87          1HB       ASN  87  -5.539   9.890   7.753
  703   1HD2  ASN  87          1HD2      ASN  87  -6.725  11.249   8.858
  704   2HD2  ASN  87          2HD2      ASN  87  -6.179  12.700   9.623
  705    H    LEU  88           H        LEU  88  -2.543   7.270   7.602
  706    HA   LEU  88           HA       LEU  88  -3.093   5.067   7.681
  707   1HB   LEU  88          2HB       LEU  88  -3.242   5.799  10.183
  708   2HB   LEU  88          1HB       LEU  88  -4.968   5.606   9.949
  709    HG   LEU  88           HG       LEU  88  -4.466   3.243   9.160
  710   1HD1  LEU  88          1HD1      LEU  88  -2.183   3.264   8.673
  711   2HD1  LEU  88          2HD1      LEU  88  -2.294   2.372  10.189
  712   3HD1  LEU  88          3HD1      LEU  88  -1.772   4.056  10.194
  713   1HD2  LEU  88          1HD2      LEU  88  -5.151   4.158  11.550
  714   2HD2  LEU  88          2HD2      LEU  88  -3.571   3.500  11.978
  715   3HD2  LEU  88          3HD2      LEU  88  -4.800   2.453  11.270
  716    HA   PRO  89           HA       PRO  89  -7.112   5.886   5.528
  717   1HB   PRO  89          2HB       PRO  89  -5.869   4.603   3.232
  718   2HB   PRO  89          1HB       PRO  89  -6.511   6.239   3.375
  719   1HG   PRO  89          2HG       PRO  89  -3.859   5.713   3.126
  720   2HG   PRO  89          1HG       PRO  89  -4.487   7.121   3.999
  721   1HD   PRO  89          2HD       PRO  89  -3.494   4.507   5.077
  722   2HD   PRO  89          1HD       PRO  89  -3.202   6.157   5.670
  723    H    VAL  90           H        VAL  90  -5.954   3.481   7.096
  724    HA   VAL  90           HA       VAL  90  -6.792   1.448   7.672
  725    HB   VAL  90           HB       VAL  90  -8.571   1.643   5.264
  726   1HG1  VAL  90          1HG1      VAL  90  -9.818   0.265   7.368
  727   2HG1  VAL  90          2HG1      VAL  90  -8.169  -0.356   7.289
  728   3HG1  VAL  90          3HG1      VAL  90  -9.203  -0.409   5.862
  729   1HG2  VAL  90          1HG2      VAL  90  -8.574   3.329   7.498
  730   2HG2  VAL  90          2HG2      VAL  90  -9.905   2.199   7.750
  731   3HG2  VAL  90          3HG2      VAL  90  -9.836   3.166   6.276
  732    H    ASN  91           H        ASN  91  -5.060   2.167   4.983
  733    HA   ASN  91           HA       ASN  91  -3.903   0.982   3.408
  734   1HB   ASN  91          2HB       ASN  91  -2.943   0.234   5.653
  735   2HB   ASN  91          1HB       ASN  91  -3.886  -1.238   5.448
  736   1HD2  ASN  91          1HD2      ASN  91  -3.255  -2.749   3.967
  737   2HD2  ASN  91          2HD2      ASN  91  -1.747  -2.679   3.125
  738    H    LEU  92           H        LEU  92  -5.664   0.762   1.942
  739    HA   LEU  92           HA       LEU  92  -6.900  -1.920   1.922
  740   1HB   LEU  92          2HB       LEU  92  -7.894   0.775   1.229
  741   2HB   LEU  92          1HB       LEU  92  -8.318  -0.485   0.086
  742    HG   LEU  92           HG       LEU  92 -10.120  -0.287   1.623
  743   1HD1  LEU  92          1HD1      LEU  92  -8.863  -2.639   1.128
  744   2HD1  LEU  92          2HD1      LEU  92 -10.409  -2.485   1.961
  745   3HD1  LEU  92          3HD1      LEU  92  -8.919  -2.644   2.890
  746   1HD2  LEU  92          1HD2      LEU  92  -8.391  -0.905   3.973
  747   2HD2  LEU  92          2HD2      LEU  92  -9.960  -0.105   3.909
  748   3HD2  LEU  92          3HD2      LEU  92  -8.511   0.755   3.390
  749    H    TRP  93           H        TRP  93  -6.519  -3.244   0.276
  750    HA   TRP  93           HA       TRP  93  -4.577  -2.425  -1.703
  751   1HB   TRP  93          2HB       TRP  93  -5.274  -4.856  -0.479
  752   2HB   TRP  93          1HB       TRP  93  -5.674  -5.045  -2.176
  753    HD1  TRP  93           HD       TRP  93  -3.759  -6.018  -3.509
  754    HE1  TRP  93           1HE      TRP  93  -1.191  -5.930  -3.419
  755    HE3  TRP  93           3HE      TRP  93  -3.211  -2.996   0.569
  756    HZ2  TRP  93           2HZ      TRP  93   0.797  -4.741  -1.812
  757    HZ3  TRP  93           3HZ      TRP  93  -0.933  -2.441   1.324
  758    HH2  TRP  93           HH       TRP  93   1.023  -3.307   0.155
  759    H    GLY  94           H        GLY  94  -4.949  -2.932  -4.004
  760   1HA   GLY  94          2HA       GLY  94  -7.568  -1.911  -4.757
  761   2HA   GLY  94          1HA       GLY  94  -6.153  -2.019  -5.780
  762    H    ARG  95           H        ARG  95  -8.962  -2.891  -6.195
  763    HA   ARG  95           HA       ARG  95  -9.421  -5.579  -5.986
  764   1HB   ARG  95          2HB       ARG  95 -11.119  -4.095  -6.800
  765   2HB   ARG  95          1HB       ARG  95 -10.171  -3.701  -8.224
  766   1HG   ARG  95          2HG       ARG  95 -10.423  -5.995  -9.026
  767   2HG   ARG  95          1HG       ARG  95 -11.365  -6.393  -7.589
  768   1HD   ARG  95          2HD       ARG  95 -12.086  -4.544  -9.846
  769   2HD   ARG  95          1HD       ARG  95 -12.938  -5.987  -9.298
  770    HE   ARG  95           HE       ARG  95 -13.039  -4.363  -7.141
  771   1HH1  ARG  95          1HH1      ARG  95 -13.867  -3.911 -10.500
  772   2HH1  ARG  95          2HH1      ARG  95 -15.112  -2.754 -10.167
  773   1HH2  ARG  95          1HH2      ARG  95 -14.677  -2.840  -6.701
  774   2HH2  ARG  95          2HH2      ARG  95 -15.571  -2.147  -8.013
  775    H    ASP  96           H        ASP  96  -7.456  -3.966  -8.450
  776    HA   ASP  96           HA       ASP  96  -7.111  -6.125 -10.181
  777   1HB   ASP  96          2HB       ASP  96  -5.657  -3.612  -9.606
  778   2HB   ASP  96          1HB       ASP  96  -4.718  -4.872 -10.401
  779    H    LEU  97           H        LEU  97  -5.102  -5.136  -7.418
  780    HA   LEU  97           HA       LEU  97  -3.234  -7.218  -7.616
  781   1HB   LEU  97          2HB       LEU  97  -4.109  -5.656  -5.192
  782   2HB   LEU  97          1HB       LEU  97  -2.690  -6.677  -5.261
  783    HG   LEU  97           HG       LEU  97  -2.967  -3.918  -5.970
  784   1HD1  LEU  97          1HD1      LEU  97  -0.805  -5.906  -5.572
  785   2HD1  LEU  97          2HD1      LEU  97  -1.094  -4.363  -4.767
  786   3HD1  LEU  97          3HD1      LEU  97  -0.403  -4.397  -6.389
  787   1HD2  LEU  97          1HD2      LEU  97  -1.632  -4.085  -8.124
  788   2HD2  LEU  97          2HD2      LEU  97  -3.359  -4.420  -8.228
  789   3HD2  LEU  97          3HD2      LEU  97  -2.201  -5.750  -8.223
  790    H    LEU  98           H        LEU  98  -6.132  -6.951  -5.534
  791    HA   LEU  98           HA       LEU  98  -5.858  -9.437  -4.284
  792   1HB   LEU  98          2HB       LEU  98  -8.339  -7.837  -4.916
  793   2HB   LEU  98          1HB       LEU  98  -8.352  -9.288  -3.933
  794    HG   LEU  98           HG       LEU  98  -8.287  -7.708  -2.291
  795   1HD1  LEU  98          1HD1      LEU  98  -5.342  -7.592  -2.776
  796   2HD1  LEU  98          2HD1      LEU  98  -6.112  -9.119  -2.348
  797   3HD1  LEU  98          3HD1      LEU  98  -6.223  -7.739  -1.256
  798   1HD2  LEU  98          1HD2      LEU  98  -8.093  -5.916  -4.148
  799   2HD2  LEU  98          2HD2      LEU  98  -6.383  -5.917  -3.723
  800   3HD2  LEU  98          3HD2      LEU  98  -7.593  -5.519  -2.503
  801    H    SER  99           H        SER  99  -7.825  -8.568  -7.115
  802    HA   SER  99           HA       SER  99  -9.000 -10.919  -7.760
  803   1HB   SER  99          2HB       SER  99  -9.170  -8.750  -9.027
  804   2HB   SER  99          1HB       SER  99  -7.653  -9.170  -9.822
  805    HG   SER  99           HG       SER  99 -10.018  -9.862 -10.597
  806    H    GLN 100           H        GLN 100  -5.758  -9.972  -8.887
  807    HA   GLN 100           HA       GLN 100  -5.197 -12.514 -10.045
  808   1HB   GLN 100          2HB       GLN 100  -3.485 -10.153  -9.317
  809   2HB   GLN 100          1HB       GLN 100  -2.820 -11.600 -10.061
  810   1HG   GLN 100          2HG       GLN 100  -3.598 -11.064 -12.088
  811   2HG   GLN 100          1HG       GLN 100  -5.142 -10.494 -11.455
  812   1HE2  GLN 100          1HE2      GLN 100  -1.715  -9.572 -11.450
  813   2HE2  GLN 100          2HE2      GLN 100  -1.992  -7.884 -11.686
  814    H    MET 101           H        MET 101  -4.477 -11.012  -6.945
  815    HA   MET 101           HA       MET 101  -2.549 -12.568  -5.872
  816   1HB   MET 101          2HB       MET 101  -4.404 -10.771  -4.885
  817   2HB   MET 101          1HB       MET 101  -4.731 -12.237  -3.970
  818   1HG   MET 101          2HG       MET 101  -2.463 -12.336  -3.206
  819   2HG   MET 101          1HG       MET 101  -2.011 -10.990  -4.252
  820   1HE   MET 101          1HE       MET 101  -2.167  -8.561  -3.643
  821   2HE   MET 101          2HE       MET 101  -3.393  -7.895  -2.567
  822   3HE   MET 101          3HE       MET 101  -3.877  -8.735  -4.040
  823    H    LYS 102           H        LYS 102  -5.987 -13.344  -5.253
  824    HA   LYS 102           HA       LYS 102  -5.516 -16.131  -5.824
  825   1HB   LYS 102          2HB       LYS 102  -4.678 -15.596  -3.417
  826   2HB   LYS 102          1HB       LYS 102  -6.390 -15.557  -3.015
  827   1HG   LYS 102          2HG       LYS 102  -5.676 -17.734  -2.521
  828   2HG   LYS 102          1HG       LYS 102  -6.543 -17.863  -4.054
  829   1HD   LYS 102          2HD       LYS 102  -3.702 -17.315  -4.401
  830   2HD   LYS 102          1HD       LYS 102  -4.009 -18.820  -3.533
  831   1HE   LYS 102          2HE       LYS 102  -5.370 -19.651  -5.315
  832   2HE   LYS 102          1HE       LYS 102  -5.331 -18.092  -6.140
  833   1HZ   LYS 102          1HZ       LYS 102  -2.900 -18.394  -6.378
  834   2HZ   LYS 102          2HZ       LYS 102  -3.804 -19.561  -7.205
  835   3HZ   LYS 102          3HZ       LYS 102  -3.054 -19.954  -5.741
  836    H    ILE 103           H        ILE 103  -7.354 -13.987  -6.670
  837    HA   ILE 103           HA       ILE 103  -9.916 -15.049  -5.694
  838    HB   ILE 103           HB       ILE 103  -9.449 -12.608  -7.402
  839   1HG1  ILE 103          2HG1      ILE 103  -9.928 -12.865  -4.425
  840   2HG1  ILE 103          1HG1      ILE 103  -8.449 -12.305  -5.198
  841   1HG2  ILE 103          1HG2      ILE 103 -11.903 -12.791  -5.832
  842   2HG2  ILE 103          2HG2      ILE 103 -11.759 -14.042  -7.067
  843   3HG2  ILE 103          3HG2      ILE 103 -11.666 -12.341  -7.521
  844   1HD1  ILE 103          1HD1      ILE 103 -11.097 -10.909  -5.462
  845   2HD1  ILE 103          2HD1      ILE 103  -9.510 -10.315  -5.951
  846   3HD1  ILE 103          3HD1      ILE 103  -9.890 -10.512  -4.240
  847    H    MET 104           H        MET 104  -8.757 -13.824  -8.841
  848    HA   MET 104           HA       MET 104 -10.552 -15.442 -10.321
  849   1HB   MET 104          2HB       MET 104  -9.400 -14.650 -12.282
  850   2HB   MET 104          1HB       MET 104  -9.557 -13.314 -11.151
  851   1HG   MET 104          2HG       MET 104  -7.206 -13.830 -10.402
  852   2HG   MET 104          1HG       MET 104  -7.100 -14.921 -11.782
  853   1HE   MET 104          1HE       MET 104  -4.997 -13.575 -12.927
  854   2HE   MET 104          2HE       MET 104  -5.660 -12.730 -14.327
  855   3HE   MET 104          3HE       MET 104  -6.265 -14.330 -13.893
  856    H    MET 105           H        MET 105 -10.362 -17.465 -11.092
  857    HA   MET 105           HA       MET 105  -8.459 -19.240 -10.081
  858   1HB   MET 105          2HB       MET 105  -9.317 -20.812 -11.839
  859   2HB   MET 105          1HB       MET 105 -10.562 -20.092 -10.829
  860   1HG   MET 105          2HG       MET 105 -10.084 -18.483 -13.166
  861   2HG   MET 105          1HG       MET 105 -10.451 -20.148 -13.613
  862   1HE   MET 105          1HE       MET 105 -13.167 -16.975 -13.216
  863   2HE   MET 105          2HE       MET 105 -11.414 -16.931 -13.016
  864   3HE   MET 105          3HE       MET 105 -12.465 -16.915 -11.599
  865    H    ALA 106           H        ALA 106  -6.396 -18.368 -10.456
  866    HA   ALA 106           HA       ALA 106  -5.500 -18.254 -13.248
  867   1HB   ALA 106          1HB       ALA 106  -5.052 -16.304 -11.794
  868   2HB   ALA 106          2HB       ALA 106  -3.582 -17.035 -12.438
  869   3HB   ALA 106          3HB       ALA 106  -4.055 -17.332 -10.766
  870    H    SER 107           H        SER 107  -4.914 -20.221 -13.941
  871    HA   SER 107           HA       SER 107  -3.758 -22.164 -14.148
  872   1HB   SER 107          2HB       SER 107  -1.539 -22.206 -13.444
  873   2HB   SER 107          1HB       SER 107  -1.875 -20.475 -13.478
  874    HG   SER 107           HG       SER 107  -0.877 -21.001 -11.537
  Start of MODEL   10
    1   1H    TRP   1          1HT       TRP   1   7.949 -14.045   5.826
    2   2H    TRP   1          2HT       TRP   1   8.298 -14.776   7.339
    3   3H    TRP   1          3HT       TRP   1   6.671 -14.618   6.815
    4    HA   TRP   1           HA       TRP   1   8.612 -16.102   5.218
    5   1HB   TRP   1          2HB       TRP   1   7.786 -18.140   6.481
    6   2HB   TRP   1          1HB       TRP   1   8.877 -17.088   7.375
    7    HD1  TRP   1           HD       TRP   1   5.008 -17.254   6.968
    8    HE1  TRP   1           1HE      TRP   1   3.963 -16.975   9.304
    9    HE3  TRP   1           3HE      TRP   1   9.289 -16.750   9.717
   10    HZ2  TRP   1           2HZ      TRP   1   4.838 -16.593  11.960
   11    HZ3  TRP   1           3HZ      TRP   1   9.098 -16.431  12.150
   12    HH2  TRP   1           HH       TRP   1   6.918 -16.354  13.246
   13    H    VAL   2           H        VAL   2   7.276 -18.104   4.392
   14    HA   VAL   2           HA       VAL   2   5.103 -17.039   2.880
   15    HB   VAL   2           HB       VAL   2   4.897 -19.289   1.930
   16   1HG1  VAL   2          1HG1      VAL   2   6.688 -18.988   0.615
   17   2HG1  VAL   2          2HG1      VAL   2   7.818 -19.076   1.965
   18   3HG1  VAL   2          3HG1      VAL   2   6.983 -17.564   1.611
   19   1HG2  VAL   2          1HG2      VAL   2   6.242 -21.131   2.669
   20   2HG2  VAL   2          2HG2      VAL   2   5.357 -20.504   4.058
   21   3HG2  VAL   2          3HG2      VAL   2   7.065 -20.118   3.855
   22    H    GLN   3           H        GLN   3   2.917 -17.373   3.077
   23    HA   GLN   3           HA       GLN   3   1.961 -19.146   5.196
   24   1HB   GLN   3          2HB       GLN   3   2.309 -16.668   5.962
   25   2HB   GLN   3          1HB       GLN   3   0.822 -16.381   5.070
   26   1HG   GLN   3          2HG       GLN   3  -0.159 -16.849   7.023
   27   2HG   GLN   3          1HG       GLN   3   0.108 -18.526   6.546
   28   1HE2  GLN   3          1HE2      GLN   3   0.125 -16.825   9.146
   29   2HE2  GLN   3          2HE2      GLN   3   1.515 -17.424   9.980
   30    HA   PRO   4           HA       PRO   4  -0.745 -19.535   1.534
   31   1HB   PRO   4          2HB       PRO   4  -1.269 -22.158   1.834
   32   2HB   PRO   4          1HB       PRO   4   0.244 -21.583   1.121
   33   1HG   PRO   4          2HG       PRO   4  -0.297 -22.534   3.909
   34   2HG   PRO   4          1HG       PRO   4   1.082 -22.893   2.852
   35   1HD   PRO   4          2HD       PRO   4   1.156 -21.024   4.843
   36   2HD   PRO   4          1HD       PRO   4   2.149 -20.929   3.377
   37    H    ILE   5           H        ILE   5  -2.327 -18.213   2.582
   38    HA   ILE   5           HA       ILE   5  -4.010 -19.278   4.644
   39    HB   ILE   5           HB       ILE   5  -3.597 -16.876   4.482
   40   1HG1  ILE   5          2HG1      ILE   5  -5.884 -18.033   5.225
   41   2HG1  ILE   5          1HG1      ILE   5  -5.671 -16.287   5.249
   42   1HG2  ILE   5          1HG2      ILE   5  -5.028 -15.712   2.612
   43   2HG2  ILE   5          2HG2      ILE   5  -4.769 -17.240   1.772
   44   3HG2  ILE   5          3HG2      ILE   5  -3.388 -16.272   2.288
   45   1HD1  ILE   5          1HD1      ILE   5  -7.010 -17.880   3.074
   46   2HD1  ILE   5          2HD1      ILE   5  -6.790 -16.130   3.080
   47   3HD1  ILE   5          3HD1      ILE   5  -7.813 -16.895   4.297
   48    H    THR   6           H        THR   6  -6.121 -19.984   4.501
   49    HA   THR   6           HA       THR   6  -7.019 -20.718   1.794
   50    HB   THR   6           HB       THR   6  -8.421 -22.438   3.158
   51    HG1  THR   6           1HG      THR   6  -7.350 -23.044   5.092
   52   1HG2  THR   6          1HG2      THR   6  -6.911 -24.067   2.721
   53   2HG2  THR   6          2HG2      THR   6  -5.552 -23.135   3.348
   54   3HG2  THR   6          3HG2      THR   6  -6.209 -22.772   1.752
   55    H    ALA   7           H        ALA   7  -9.350 -20.768   1.438
   56    HA   ALA   7           HA       ALA   7 -11.424 -19.831   1.452
   57   1HB   ALA   7          1HB       ALA   7 -10.931 -19.165   4.349
   58   2HB   ALA   7          2HB       ALA   7 -11.432 -20.758   3.783
   59   3HB   ALA   7          3HB       ALA   7 -12.484 -19.364   3.535
   60    H    GLN   8           H        GLN   8 -12.600 -17.677   1.989
   61    HA   GLN   8           HA       GLN   8 -10.778 -15.538   1.203
   62   1HB   GLN   8          2HB       GLN   8 -13.701 -16.026   0.972
   63   2HB   GLN   8          1HB       GLN   8 -13.177 -14.352   1.093
   64   1HG   GLN   8          2HG       GLN   8 -13.192 -14.643  -1.171
   65   2HG   GLN   8          1HG       GLN   8 -11.515 -15.035  -0.796
   66   1HE2  GLN   8          1HE2      GLN   8 -14.675 -16.397  -1.491
   67   2HE2  GLN   8          2HE2      GLN   8 -14.100 -17.916  -2.078
   68    H    LYS   9           H        LYS   9  -9.799 -14.650   2.892
   69    HA   LYS   9           HA       LYS   9 -11.458 -13.332   4.892
   70   1HB   LYS   9          2HB       LYS   9  -9.348 -15.388   5.486
   71   2HB   LYS   9          1HB       LYS   9  -9.694 -14.105   6.637
   72   1HG   LYS   9          2HG       LYS   9 -12.194 -15.039   6.088
   73   2HG   LYS   9          1HG       LYS   9 -11.222 -16.509   5.980
   74   1HD   LYS   9          2HD       LYS   9 -10.402 -14.987   8.267
   75   2HD   LYS   9          1HD       LYS   9 -12.153 -15.201   8.303
   76   1HE   LYS   9          2HE       LYS   9 -10.929 -17.666   7.536
   77   2HE   LYS   9          1HE       LYS   9 -10.144 -17.065   8.995
   78   1HZ   LYS   9          1HZ       LYS   9 -12.805 -18.104   8.637
   79   2HZ   LYS   9          2HZ       LYS   9 -12.756 -16.671   9.532
   80   3HZ   LYS   9          3HZ       LYS   9 -11.859 -18.014  10.037
   81    HA   PRO  10           HA       PRO  10  -8.495 -10.128   4.225
   82   1HB   PRO  10          2HB       PRO  10  -8.743  -8.683   6.487
   83   2HB   PRO  10          1HB       PRO  10 -10.020  -8.746   5.267
   84   1HG   PRO  10          2HG       PRO  10  -9.793 -10.241   7.851
   85   2HG   PRO  10          1HG       PRO  10 -11.210  -9.453   7.136
   86   1HD   PRO  10          2HD       PRO  10 -10.757 -12.137   6.987
   87   2HD   PRO  10          1HD       PRO  10 -11.660 -11.232   5.757
   88    H    SER  11           H        SER  11  -7.135 -12.413   4.876
   89    HA   SER  11           HA       SER  11  -4.918 -11.334   6.390
   90   1HB   SER  11          2HB       SER  11  -6.722 -12.782   7.834
   91   2HB   SER  11          1HB       SER  11  -5.604 -14.047   7.321
   92    HG   SER  11           HG       SER  11  -4.727 -11.621   8.484
   93    H    LEU  12           H        LEU  12  -3.182 -11.752   5.218
   94    HA   LEU  12           HA       LEU  12  -2.570 -14.382   4.296
   95   1HB   LEU  12          2HB       LEU  12  -3.596 -14.233   2.313
   96   2HB   LEU  12          1HB       LEU  12  -3.886 -12.517   2.499
   97    HG   LEU  12           HG       LEU  12  -1.153 -13.442   1.708
   98   1HD1  LEU  12          1HD1      LEU  12  -3.586 -13.347  -0.060
   99   2HD1  LEU  12          2HD1      LEU  12  -2.454 -14.679   0.171
  100   3HD1  LEU  12          3HD1      LEU  12  -1.941 -13.225  -0.682
  101   1HD2  LEU  12          1HD2      LEU  12  -1.948 -11.217   0.254
  102   2HD2  LEU  12          2HD2      LEU  12  -0.922 -11.225   1.689
  103   3HD2  LEU  12          3HD2      LEU  12  -2.657 -10.968   1.849
  104    H    THR  13           H        THR  13  -0.435 -14.605   4.472
  105    HA   THR  13           HA       THR  13   1.188 -12.204   4.770
  106    HB   THR  13           HB       THR  13   2.388 -14.905   5.051
  107    HG1  THR  13           1HG      THR  13   0.648 -13.869   7.030
  108   1HG2  THR  13          1HG2      THR  13   3.007 -12.290   5.897
  109   2HG2  THR  13          2HG2      THR  13   3.902 -13.780   6.189
  110   3HG2  THR  13          3HG2      THR  13   2.673 -13.250   7.338
  111    H    LEU  14           H        LEU  14   2.117 -11.375   3.073
  112    HA   LEU  14           HA       LEU  14   3.512 -13.110   1.171
  113   1HB   LEU  14          2HB       LEU  14   1.823 -10.752   0.339
  114   2HB   LEU  14          1HB       LEU  14   2.755 -11.784  -0.719
  115    HG   LEU  14           HG       LEU  14   0.239 -12.469   0.781
  116   1HD1  LEU  14          1HD1      LEU  14   0.959 -11.936  -2.040
  117   2HD1  LEU  14          2HD1      LEU  14  -0.511 -11.543  -1.150
  118   3HD1  LEU  14          3HD1      LEU  14  -0.244 -13.187  -1.730
  119   1HD2  LEU  14          1HD2      LEU  14   0.878 -14.623  -0.853
  120   2HD2  LEU  14          2HD2      LEU  14   0.892 -14.576   0.907
  121   3HD2  LEU  14          3HD2      LEU  14   2.369 -14.242   0.005
  122    H    TRP  15           H        TRP  15   4.992 -11.582  -0.270
  123    HA   TRP  15           HA       TRP  15   6.159  -9.721   1.666
  124   1HB   TRP  15          2HB       TRP  15   8.263 -10.225   0.943
  125   2HB   TRP  15          1HB       TRP  15   7.446 -11.753   0.695
  126    HD1  TRP  15           HD       TRP  15   6.295 -10.020  -2.235
  127    HE1  TRP  15           1HE      TRP  15   7.878 -10.358  -4.223
  128    HE3  TRP  15           3HE      TRP  15  10.421 -11.758   0.243
  129    HZ2  TRP  15           2HZ      TRP  15  10.495 -11.243  -4.711
  130    HZ3  TRP  15           3HZ      TRP  15  12.415 -12.330  -1.072
  131    HH2  TRP  15           HH       TRP  15  12.453 -12.081  -3.494
  132    H    LEU  16           H        LEU  16   6.920  -7.749   1.138
  133    HA   LEU  16           HA       LEU  16   6.231  -6.615  -1.450
  134   1HB   LEU  16          2HB       LEU  16   5.222  -4.618  -0.225
  135   2HB   LEU  16          1HB       LEU  16   4.246  -6.069  -0.342
  136    HG   LEU  16           HG       LEU  16   5.823  -6.077   2.087
  137   1HD1  LEU  16          1HD1      LEU  16   4.430  -3.587   1.363
  138   2HD1  LEU  16          2HD1      LEU  16   5.749  -3.866   2.500
  139   3HD1  LEU  16          3HD1      LEU  16   4.087  -4.220   2.973
  140   1HD2  LEU  16          1HD2      LEU  16   3.962  -7.536   1.830
  141   2HD2  LEU  16          2HD2      LEU  16   2.887  -6.195   1.433
  142   3HD2  LEU  16          3HD2      LEU  16   3.530  -6.355   3.067
  143    H    ASP  17           H        ASP  17   7.351  -4.674  -1.944
  144    HA   ASP  17           HA       ASP  17   9.296  -3.479  -2.057
  145   1HB   ASP  17          2HB       ASP  17   7.996  -2.955   0.491
  146   2HB   ASP  17          1HB       ASP  17   9.731  -2.661   0.571
  147    H    ASP  18           H        ASP  18   9.596  -6.352  -1.479
  148    HA   ASP  18           HA       ASP  18  11.360  -7.770  -1.227
  149   1HB   ASP  18          2HB       ASP  18  13.058  -5.447  -0.320
  150   2HB   ASP  18          1HB       ASP  18  13.587  -6.964  -1.041
  151    H    LYS  19           H        LYS  19   9.541  -7.675   0.766
  152    HA   LYS  19           HA       LYS  19  10.995  -8.721   2.959
  153   1HB   LYS  19          2HB       LYS  19  10.485  -7.142   4.681
  154   2HB   LYS  19          1HB       LYS  19  11.277  -6.272   3.378
  155   1HG   LYS  19          2HG       LYS  19   9.587  -4.852   3.286
  156   2HG   LYS  19          1HG       LYS  19   8.480  -6.173   2.918
  157   1HD   LYS  19          2HD       LYS  19   7.618  -5.148   4.858
  158   2HD   LYS  19          1HD       LYS  19   8.411  -6.622   5.414
  159   1HE   LYS  19          2HE       LYS  19  10.459  -4.866   5.568
  160   2HE   LYS  19          1HE       LYS  19   9.095  -3.799   5.898
  161   1HZ   LYS  19          1HZ       LYS  19  10.299  -5.187   7.784
  162   2HZ   LYS  19          2HZ       LYS  19   9.156  -6.343   7.321
  163   3HZ   LYS  19          3HZ       LYS  19   8.649  -4.819   7.850
  164    H    MET  20           H        MET  20   9.777 -10.269   3.831
  165    HA   MET  20           HA       MET  20   7.083 -10.616   2.986
  166   1HB   MET  20          2HB       MET  20   8.977 -12.124   4.713
  167   2HB   MET  20          1HB       MET  20   7.261 -12.470   4.872
  168   1HG   MET  20          2HG       MET  20   8.559 -12.452   2.181
  169   2HG   MET  20          1HG       MET  20   8.687 -13.861   3.233
  170   1HE   MET  20          1HE       MET  20   6.938 -15.203   0.792
  171   2HE   MET  20          2HE       MET  20   7.749 -13.679   0.438
  172   3HE   MET  20          3HE       MET  20   6.022 -13.855   0.119
  173    H    PHE  21           H        PHE  21   5.307  -9.848   3.824
  174    HA   PHE  21           HA       PHE  21   5.101  -9.311   6.686
  175   1HB   PHE  21          2HB       PHE  21   5.761  -7.220   5.252
  176   2HB   PHE  21          1HB       PHE  21   4.074  -7.256   4.754
  177    HD1  PHE  21           1HD      PHE  21   2.610  -5.961   5.933
  178    HD2  PHE  21           2HD      PHE  21   6.080  -7.443   7.896
  179    HE1  PHE  21           1HE      PHE  21   1.978  -4.731   7.969
  180    HE2  PHE  21           2HE      PHE  21   5.455  -6.218   9.937
  181    HZ   PHE  21           HZ       PHE  21   3.401  -4.860   9.974
  182    H    THR  22           H        THR  22   2.660  -8.451   7.033
  183    HA   THR  22           HA       THR  22   0.970 -10.379   5.584
  184    HB   THR  22           HB       THR  22   0.096  -9.225   8.185
  185    HG1  THR  22           1HG      THR  22   1.971 -11.341   8.028
  186   1HG2  THR  22          1HG2      THR  22  -0.796 -11.434   8.563
  187   2HG2  THR  22          2HG2      THR  22  -0.035 -12.019   7.083
  188   3HG2  THR  22          3HG2      THR  22  -1.329 -10.823   6.997
  189    H    GLY  23           H        GLY  23  -1.234  -9.792   5.152
  190   1HA   GLY  23          2HA       GLY  23  -1.877  -6.940   5.267
  191   2HA   GLY  23          1HA       GLY  23  -1.796  -7.684   3.677
  192    H    LEU  24           H        LEU  24  -4.137  -6.591   4.205
  193    HA   LEU  24           HA       LEU  24  -5.855  -8.798   5.130
  194   1HB   LEU  24          2HB       LEU  24  -7.564  -6.712   5.071
  195   2HB   LEU  24          1HB       LEU  24  -6.664  -7.208   6.486
  196    HG   LEU  24           HG       LEU  24  -6.630  -4.779   6.165
  197   1HD1  LEU  24          1HD1      LEU  24  -4.642  -4.726   7.131
  198   2HD1  LEU  24          2HD1      LEU  24  -3.831  -5.188   5.636
  199   3HD1  LEU  24          3HD1      LEU  24  -4.459  -6.432   6.718
  200   1HD2  LEU  24          1HD2      LEU  24  -6.769  -4.417   3.870
  201   2HD2  LEU  24          2HD2      LEU  24  -5.430  -5.505   3.518
  202   3HD2  LEU  24          3HD2      LEU  24  -5.118  -3.944   4.271
  203    H    ILE  25           H        ILE  25  -6.645  -9.942   3.510
  204    HA   ILE  25           HA       ILE  25  -6.882  -8.898   0.854
  205    HB   ILE  25           HB       ILE  25  -8.103 -11.471   1.838
  206   1HG1  ILE  25          2HG1      ILE  25  -5.778 -11.458   2.560
  207   2HG1  ILE  25          1HG1      ILE  25  -5.966 -12.555   1.195
  208   1HG2  ILE  25          1HG2      ILE  25  -7.852 -12.193  -0.442
  209   2HG2  ILE  25          2HG2      ILE  25  -7.000 -10.706  -0.859
  210   3HG2  ILE  25          3HG2      ILE  25  -8.706 -10.649  -0.420
  211   1HD1  ILE  25          1HD1      ILE  25  -4.374 -10.128   1.448
  212   2HD1  ILE  25          2HD1      ILE  25  -5.311 -10.218  -0.042
  213   3HD1  ILE  25          3HD1      ILE  25  -4.183 -11.510   0.369
  214    H    ASN  26           H        ASN  26  -8.538  -7.869  -0.019
  215    HA   ASN  26           HA       ASN  26 -11.194  -8.168   1.212
  216   1HB   ASN  26          2HB       ASN  26 -11.399  -5.681   0.227
  217   2HB   ASN  26          1HB       ASN  26 -10.861  -6.011   1.870
  218   1HD2  ASN  26          1HD2      ASN  26  -9.421  -4.475   2.276
  219   2HD2  ASN  26          2HD2      ASN  26  -8.036  -4.117   1.307
  220    H    THR  27           H        THR  27 -12.208  -9.419  -0.230
  221    HA   THR  27           HA       THR  27 -11.769  -9.550  -2.968
  222    HB   THR  27           HB       THR  27 -13.052 -11.186  -1.579
  223    HG1  THR  27           1HG      THR  27 -13.219 -11.429  -3.767
  224   1HG2  THR  27          1HG2      THR  27 -14.795  -8.961  -1.175
  225   2HG2  THR  27          2HG2      THR  27 -14.836 -10.564  -0.443
  226   3HG2  THR  27          3HG2      THR  27 -15.668 -10.271  -1.970
  227    H    GLY  28           H        GLY  28 -13.420  -7.161  -1.134
  228   1HA   GLY  28          2HA       GLY  28 -14.533  -5.994  -3.605
  229   2HA   GLY  28          1HA       GLY  28 -15.211  -5.740  -2.004
  230    H    ALA  29           H        ALA  29 -11.874  -5.572  -3.195
  231    HA   ALA  29           HA       ALA  29 -11.534  -3.003  -1.872
  232   1HB   ALA  29          1HB       ALA  29  -9.214  -3.862  -3.325
  233   2HB   ALA  29          2HB       ALA  29  -9.861  -5.202  -2.377
  234   3HB   ALA  29          3HB       ALA  29  -9.438  -3.684  -1.583
  235    H    ASP  30           H        ASP  30 -11.835  -1.163  -2.939
  236    HA   ASP  30           HA       ASP  30 -11.328  -1.126  -5.837
  237   1HB   ASP  30          2HB       ASP  30 -13.720  -1.230  -5.568
  238   2HB   ASP  30          1HB       ASP  30 -13.690   0.063  -4.377
  239    H    VAL  31           H        VAL  31 -10.366   0.054  -2.956
  240    HA   VAL  31           HA       VAL  31  -9.466   2.569  -4.177
  241    HB   VAL  31           HB       VAL  31 -11.283   2.969  -2.509
  242   1HG1  VAL  31          1HG1      VAL  31  -9.368   2.309  -0.320
  243   2HG1  VAL  31          2HG1      VAL  31 -10.363   1.035  -1.024
  244   3HG1  VAL  31          3HG1      VAL  31 -11.127   2.439  -0.278
  245   1HG2  VAL  31          1HG2      VAL  31  -8.856   4.305  -2.835
  246   2HG2  VAL  31          2HG2      VAL  31  -9.145   4.278  -1.096
  247   3HG2  VAL  31          3HG2      VAL  31 -10.358   4.957  -2.180
  248    H    THR  32           H        THR  32  -7.410   2.032  -4.613
  249    HA   THR  32           HA       THR  32  -5.793   0.447  -2.853
  250    HB   THR  32           HB       THR  32  -4.033   1.609  -4.615
  251    HG1  THR  32           1HG      THR  32  -5.430   2.711  -5.839
  252   1HG2  THR  32          1HG2      THR  32  -5.071  -0.912  -4.225
  253   2HG2  THR  32          2HG2      THR  32  -3.781  -0.467  -5.343
  254   3HG2  THR  32          3HG2      THR  32  -5.449  -0.554  -5.910
  255    H    ILE  33           H        ILE  33  -5.366   1.334  -0.951
  256    HA   ILE  33           HA       ILE  33  -3.986   3.935  -0.940
  257    HB   ILE  33           HB       ILE  33  -5.676   3.192   1.404
  258   1HG1  ILE  33          2HG1      ILE  33  -7.214   2.947  -0.477
  259   2HG1  ILE  33          1HG1      ILE  33  -7.589   4.416   0.420
  260   1HG2  ILE  33          1HG2      ILE  33  -4.965   5.839   0.159
  261   2HG2  ILE  33          2HG2      ILE  33  -4.124   5.084   1.513
  262   3HG2  ILE  33          3HG2      ILE  33  -5.803   5.590   1.690
  263   1HD1  ILE  33          1HD1      ILE  33  -7.002   4.114  -2.337
  264   2HD1  ILE  33          2HD1      ILE  33  -5.743   5.104  -1.602
  265   3HD1  ILE  33          3HD1      ILE  33  -7.435   5.575  -1.451
  266    H    ILE  34           H        ILE  34  -2.183   4.048   0.224
  267    HA   ILE  34           HA       ILE  34  -1.614   1.970   2.201
  268    HB   ILE  34           HB       ILE  34  -0.384   2.049  -0.340
  269   1HG1  ILE  34          2HG1      ILE  34   1.099   0.260   0.809
  270   2HG1  ILE  34          1HG1      ILE  34   0.097   0.559   2.226
  271   1HG2  ILE  34          1HG2      ILE  34   1.127   3.781   0.324
  272   2HG2  ILE  34          2HG2      ILE  34   2.023   2.262   0.318
  273   3HG2  ILE  34          3HG2      ILE  34   1.481   2.961   1.845
  274   1HD1  ILE  34          1HD1      ILE  34  -0.415  -1.206   0.149
  275   2HD1  ILE  34          2HD1      ILE  34  -1.519   0.142  -0.125
  276   3HD1  ILE  34          3HD1      ILE  34  -1.532  -0.707   1.420
  277    H    LYS  35           H        LYS  35  -1.366   3.013   4.010
  278    HA   LYS  35           HA       LYS  35  -1.164   5.677   4.450
  279   1HB   LYS  35          2HB       LYS  35  -0.002   4.962   6.680
  280   2HB   LYS  35          1HB       LYS  35  -1.652   4.463   6.354
  281   1HG   LYS  35          2HG       LYS  35   0.437   2.607   5.438
  282   2HG   LYS  35          1HG       LYS  35   0.281   2.799   7.183
  283   1HD   LYS  35          2HD       LYS  35  -2.323   2.563   6.432
  284   2HD   LYS  35          1HD       LYS  35  -1.519   1.514   5.262
  285   1HE   LYS  35          2HE       LYS  35  -0.789   1.297   8.144
  286   2HE   LYS  35          1HE       LYS  35  -2.305   0.587   7.591
  287   1HZ   LYS  35          1HZ       LYS  35  -0.995  -1.167   7.161
  288   2HZ   LYS  35          2HZ       LYS  35   0.424  -0.250   7.085
  289   3HZ   LYS  35          3HZ       LYS  35  -0.606  -0.323   5.746
  290    H    LEU  36           H        LEU  36   0.520   6.988   5.428
  291    HA   LEU  36           HA       LEU  36   2.800   7.087   3.721
  292   1HB   LEU  36          2HB       LEU  36   1.402   8.858   5.369
  293   2HB   LEU  36          1HB       LEU  36   3.016   8.779   6.049
  294    HG   LEU  36           HG       LEU  36   3.198   9.052   3.193
  295   1HD1  LEU  36          1HD1      LEU  36   0.877  10.144   3.872
  296   2HD1  LEU  36          2HD1      LEU  36   1.944  10.871   2.673
  297   3HD1  LEU  36          3HD1      LEU  36   1.933  11.479   4.327
  298   1HD2  LEU  36          1HD2      LEU  36   4.859  10.472   3.743
  299   2HD2  LEU  36          2HD2      LEU  36   4.655   9.760   5.343
  300   3HD2  LEU  36          3HD2      LEU  36   3.892  11.303   4.962
  301    H    GLU  37           H        GLU  37   2.230   5.896   6.951
  302    HA   GLU  37           HA       GLU  37   4.839   5.888   7.935
  303   1HB   GLU  37          2HB       GLU  37   4.024   3.842   9.264
  304   2HB   GLU  37          1HB       GLU  37   3.185   5.369   9.501
  305   1HG   GLU  37          2HG       GLU  37   1.260   4.579   8.692
  306   2HG   GLU  37          1HG       GLU  37   2.053   3.700   7.385
  307    H    ASP  38           H        ASP  38   3.404   3.989   5.452
  308    HA   ASP  38           HA       ASP  38   5.548   2.001   5.542
  309   1HB   ASP  38          2HB       ASP  38   2.825   1.916   4.784
  310   2HB   ASP  38          1HB       ASP  38   3.762   1.638   3.319
  311    H    TRP  39           H        TRP  39   4.796   4.931   4.005
  312    HA   TRP  39           HA       TRP  39   6.017   4.481   1.483
  313   1HB   TRP  39          2HB       TRP  39   4.772   6.365   1.273
  314   2HB   TRP  39          1HB       TRP  39   4.935   6.781   2.977
  315    HD1  TRP  39           HD       TRP  39   6.699   7.257  -0.399
  316    HE1  TRP  39           1HE      TRP  39   8.352   9.215  -0.194
  317    HE3  TRP  39           3HE      TRP  39   6.281   8.144   4.617
  318    HZ2  TRP  39           2HZ      TRP  39   9.331  10.930   1.826
  319    HZ3  TRP  39           3HZ      TRP  39   7.607   9.965   5.608
  320    HH2  TRP  39           HH       TRP  39   9.099  11.329   4.240
  321    HA   PRO  40           HA       PRO  40  10.286   4.708   2.654
  322   1HB   PRO  40          2HB       PRO  40  11.041   5.632   0.026
  323   2HB   PRO  40          1HB       PRO  40  11.243   4.030   0.732
  324   1HG   PRO  40          2HG       PRO  40   9.525   4.631  -1.327
  325   2HG   PRO  40          1HG       PRO  40   9.374   3.239  -0.262
  326   1HD   PRO  40          2HD       PRO  40   7.866   5.784  -0.267
  327   2HD   PRO  40          1HD       PRO  40   7.340   4.159   0.200
  328    HA   PRO  41           HA       PRO  41  10.732   9.119   3.382
  329   1HB   PRO  41          2HB       PRO  41  12.814   8.980   5.080
  330   2HB   PRO  41          1HB       PRO  41  11.177   8.527   5.567
  331   1HG   PRO  41          2HG       PRO  41  13.467   6.779   4.761
  332   2HG   PRO  41          1HG       PRO  41  12.303   6.562   6.082
  333   1HD   PRO  41          2HD       PRO  41  12.118   5.281   3.670
  334   2HD   PRO  41          1HD       PRO  41  10.718   5.652   4.694
  335    H    ASN  42           H        ASN  42  12.700   7.060   1.627
  336    HA   ASN  42           HA       ASN  42  15.073   8.531   1.349
  337   1HB   ASN  42          2HB       ASN  42  14.454   6.119   0.559
  338   2HB   ASN  42          1HB       ASN  42  13.926   6.930  -0.912
  339   1HD2  ASN  42          1HD2      ASN  42  15.405   6.667  -2.411
  340   2HD2  ASN  42          2HD2      ASN  42  17.111   6.838  -2.201
  341    H    TRP  43           H        TRP  43  11.978   8.699  -0.354
  342    HA   TRP  43           HA       TRP  43  12.933  11.198  -1.597
  343   1HB   TRP  43          2HB       TRP  43  11.755  10.693  -3.628
  344   2HB   TRP  43          1HB       TRP  43  12.778   9.316  -3.235
  345    HD1  TRP  43           HD       TRP  43   9.077  10.337  -2.675
  346    HE1  TRP  43           1HE      TRP  43   7.620   8.242  -2.949
  347    HE3  TRP  43           3HE      TRP  43  12.768   6.910  -3.478
  348    HZ2  TRP  43           2HZ      TRP  43   7.987   5.493  -3.443
  349    HZ3  TRP  43           3HZ      TRP  43  12.131   4.562  -3.834
  350    HH2  TRP  43           HH       TRP  43   9.786   3.873  -3.818
  351    HA   PRO  44           HA       PRO  44   9.315  13.108   0.068
  352   1HB   PRO  44          2HB       PRO  44   9.049  14.876  -2.209
  353   2HB   PRO  44          1HB       PRO  44   9.612  15.248  -0.580
  354   1HG   PRO  44          2HG       PRO  44  11.243  15.264  -2.765
  355   2HG   PRO  44          1HG       PRO  44  11.813  14.917  -1.122
  356   1HD   PRO  44          2HD       PRO  44  11.203  13.025  -3.359
  357   2HD   PRO  44          1HD       PRO  44  12.519  12.977  -2.167
  358    H    ILE  45           H        ILE  45   7.052  13.657  -0.377
  359    HA   ILE  45           HA       ILE  45   5.941  12.251  -2.696
  360    HB   ILE  45           HB       ILE  45   4.134  11.370  -1.187
  361   1HG1  ILE  45          2HG1      ILE  45   5.692  11.247   1.199
  362   2HG1  ILE  45          1HG1      ILE  45   5.579  12.937   0.721
  363   1HG2  ILE  45          1HG2      ILE  45   5.487   9.478  -0.443
  364   2HG2  ILE  45          2HG2      ILE  45   6.952  10.426  -0.700
  365   3HG2  ILE  45          3HG2      ILE  45   5.940   9.983  -2.071
  366   1HD1  ILE  45          1HD1      ILE  45   3.093  12.577   0.535
  367   2HD1  ILE  45          2HD1      ILE  45   3.778  12.540   2.160
  368   3HD1  ILE  45          3HD1      ILE  45   3.354  11.031   1.346
  369    H    THR  46           H        THR  46   3.441  12.557  -2.649
  370    HA   THR  46           HA       THR  46   2.951  15.290  -3.119
  371    HB   THR  46           HB       THR  46   0.460  13.987  -2.900
  372    HG1  THR  46           1HG      THR  46   0.759  12.062  -3.842
  373   1HG2  THR  46          1HG2      THR  46   0.446  14.060  -5.321
  374   2HG2  THR  46          2HG2      THR  46   2.178  14.392  -5.335
  375   3HG2  THR  46          3HG2      THR  46   1.059  15.572  -4.654
  376    H    ASP  47           H        ASP  47   0.660  16.102  -2.218
  377    HA   ASP  47           HA       ASP  47  -0.153  15.679   0.359
  378   1HB   ASP  47          2HB       ASP  47   2.403  16.688   0.479
  379   2HB   ASP  47          1HB       ASP  47   1.420  18.137   0.666
  380    H    THR  48           H        THR  48   0.085  17.708  -2.418
  381    HA   THR  48           HA       THR  48  -2.177  19.311  -1.407
  382    HB   THR  48           HB       THR  48  -0.065  20.210  -3.366
  383    HG1  THR  48           1HG      THR  48   0.958  21.005  -1.719
  384   1HG2  THR  48          1HG2      THR  48  -1.795  22.146  -1.976
  385   2HG2  THR  48          2HG2      THR  48  -2.534  21.213  -3.277
  386   3HG2  THR  48          3HG2      THR  48  -1.102  22.192  -3.598
  387    H    LEU  49           H        LEU  49  -3.825  18.140  -2.258
  388    HA   LEU  49           HA       LEU  49  -3.921  17.579  -5.126
  389   1HB   LEU  49          2HB       LEU  49  -4.638  15.986  -3.184
  390   2HB   LEU  49          1HB       LEU  49  -6.103  16.940  -3.180
  391    HG   LEU  49           HG       LEU  49  -5.445  16.064  -5.862
  392   1HD1  LEU  49          1HD1      LEU  49  -6.252  13.631  -5.055
  393   2HD1  LEU  49          2HD1      LEU  49  -5.246  14.091  -3.681
  394   3HD1  LEU  49          3HD1      LEU  49  -4.561  14.066  -5.305
  395   1HD2  LEU  49          1HD2      LEU  49  -7.709  15.587  -5.969
  396   2HD2  LEU  49          2HD2      LEU  49  -7.649  16.876  -4.765
  397   3HD2  LEU  49          3HD2      LEU  49  -7.812  15.196  -4.252
  398    H    THR  50           H        THR  50  -6.305  17.843  -5.976
  399    HA   THR  50           HA       THR  50  -7.065  20.635  -5.475
  400    HB   THR  50           HB       THR  50  -8.056  20.422  -7.841
  401    HG1  THR  50           1HG      THR  50  -6.233  18.256  -7.924
  402   1HG2  THR  50          1HG2      THR  50  -5.143  20.123  -8.129
  403   2HG2  THR  50          2HG2      THR  50  -5.702  21.413  -7.063
  404   3HG2  THR  50          3HG2      THR  50  -6.230  21.368  -8.746
  405    H    ASN  51           H        ASN  51  -9.091  21.089  -4.897
  406    HA   ASN  51           HA       ASN  51 -11.162  19.020  -5.142
  407   1HB   ASN  51          2HB       ASN  51 -10.213  19.201  -2.786
  408   2HB   ASN  51          1HB       ASN  51 -10.873  20.830  -2.741
  409   1HD2  ASN  51          1HD2      ASN  51 -11.529  17.484  -2.489
  410   2HD2  ASN  51          2HD2      ASN  51 -13.217  17.609  -2.149
  411    H    LEU  52           H        LEU  52 -11.748  20.257  -7.021
  412    HA   LEU  52           HA       LEU  52 -12.644  22.970  -6.548
  413   1HB   LEU  52          2HB       LEU  52 -12.129  21.306  -8.956
  414   2HB   LEU  52          1HB       LEU  52 -13.184  22.691  -9.094
  415    HG   LEU  52           HG       LEU  52 -11.472  24.128  -9.138
  416   1HD1  LEU  52          1HD1      LEU  52  -9.501  23.936  -7.564
  417   2HD1  LEU  52          2HD1      LEU  52 -10.344  22.577  -6.826
  418   3HD1  LEU  52          3HD1      LEU  52 -11.078  24.180  -6.815
  419   1HD2  LEU  52          1HD2      LEU  52  -9.536  23.340 -10.104
  420   2HD2  LEU  52          2HD2      LEU  52 -10.688  22.055 -10.459
  421   3HD2  LEU  52          3HD2      LEU  52  -9.533  21.862  -9.139
  422    H    ARG  53           H        ARG  53 -14.585  23.568  -6.180
  423    HA   ARG  53           HA       ARG  53 -16.772  21.671  -6.292
  424   1HB   ARG  53          2HB       ARG  53 -16.584  24.463  -5.187
  425   2HB   ARG  53          1HB       ARG  53 -18.056  23.517  -5.186
  426   1HG   ARG  53          2HG       ARG  53 -15.565  22.431  -3.948
  427   2HG   ARG  53          1HG       ARG  53 -16.583  23.573  -3.068
  428   1HD   ARG  53          2HD       ARG  53 -17.759  21.792  -2.415
  429   2HD   ARG  53          1HD       ARG  53 -18.397  21.757  -4.059
  430    HE   ARG  53           HE       ARG  53 -15.958  20.357  -3.973
  431   1HH1  ARG  53          1HH1      ARG  53 -19.265  20.076  -2.892
  432   2HH1  ARG  53          2HH1      ARG  53 -19.254  18.344  -2.907
  433   1HH2  ARG  53          1HH2      ARG  53 -15.942  18.078  -3.994
  434   2HH2  ARG  53          2HH2      ARG  53 -17.367  17.210  -3.532
  435    H    GLY  54           H        GLY  54 -15.441  23.236  -8.649
  436   1HA   GLY  54          2HA       GLY  54 -16.243  23.827 -10.748
  437   2HA   GLY  54          1HA       GLY  54 -17.872  23.534 -10.163
  438    H    ILE  55           H        ILE  55 -18.412  25.123  -8.332
  439    HA   ILE  55           HA       ILE  55 -17.924  27.820  -9.353
  440    HB   ILE  55           HB       ILE  55 -19.930  28.404  -7.878
  441   1HG1  ILE  55          2HG1      ILE  55 -20.139  25.389  -7.896
  442   2HG1  ILE  55          1HG1      ILE  55 -20.069  26.448  -6.496
  443   1HG2  ILE  55          1HG2      ILE  55 -21.047  28.449  -9.799
  444   2HG2  ILE  55          2HG2      ILE  55 -21.148  26.690  -9.853
  445   3HG2  ILE  55          3HG2      ILE  55 -19.735  27.513 -10.513
  446   1HD1  ILE  55          1HD1      ILE  55 -22.284  26.043  -6.515
  447   2HD1  ILE  55          2HD1      ILE  55 -22.322  25.740  -8.252
  448   3HD1  ILE  55          3HD1      ILE  55 -22.275  27.396  -7.648
  449    H    GLY  56           H        GLY  56 -17.234  25.626  -6.895
  450   1HA   GLY  56          2HA       GLY  56 -16.244  27.822  -5.168
  451   2HA   GLY  56          1HA       GLY  56 -16.891  26.324  -4.515
  452    H    GLN  57           H        GLN  57 -14.468  27.246  -6.975
  453    HA   GLN  57           HA       GLN  57 -12.870  25.042  -6.901
  454   1HB   GLN  57          2HB       GLN  57 -12.288  27.935  -7.371
  455   2HB   GLN  57          1HB       GLN  57 -10.952  26.794  -7.299
  456   1HG   GLN  57          2HG       GLN  57 -12.720  25.550  -8.984
  457   2HG   GLN  57          1HG       GLN  57 -12.915  27.250  -9.392
  458   1HE2  GLN  57          1HE2      GLN  57 -12.019  26.480 -11.462
  459   2HE2  GLN  57          2HE2      GLN  57 -10.302  26.425 -11.640
  460    H    SER  58           H        SER  58 -12.397  24.033  -5.044
  461    HA   SER  58           HA       SER  58 -10.930  25.541  -2.981
  462   1HB   SER  58          2HB       SER  58 -12.352  22.924  -2.494
  463   2HB   SER  58          1HB       SER  58 -11.807  24.111  -1.309
  464    HG   SER  58           HG       SER  58 -13.855  24.543  -3.228
  465    H    ASN  59           H        ASN  59  -9.534  23.842  -1.620
  466    HA   ASN  59           HA       ASN  59  -8.097  22.171  -3.580
  467   1HB   ASN  59          2HB       ASN  59  -6.861  23.770  -1.334
  468   2HB   ASN  59          1HB       ASN  59  -5.997  22.736  -2.471
  469   1HD2  ASN  59          1HD2      ASN  59  -6.287  23.304  -4.791
  470   2HD2  ASN  59          2HD2      ASN  59  -6.320  24.982  -5.202
  471    H    ASN  60           H        ASN  60  -7.042  20.337  -2.824
  472    HA   ASN  60           HA       ASN  60  -7.891  19.329  -0.196
  473   1HB   ASN  60          2HB       ASN  60  -8.518  18.287  -2.822
  474   2HB   ASN  60          1HB       ASN  60  -7.605  17.103  -1.893
  475   1HD2  ASN  60          1HD2      ASN  60  -9.015  15.688  -1.162
  476   2HD2  ASN  60          2HD2      ASN  60 -10.483  16.060  -0.334
  477    HA   PRO  61           HA       PRO  61  -3.652  17.864  -0.028
  478   1HB   PRO  61          2HB       PRO  61  -3.843  15.874   1.714
  479   2HB   PRO  61          1HB       PRO  61  -4.424  17.488   2.149
  480   1HG   PRO  61          2HG       PRO  61  -5.969  15.047   1.477
  481   2HG   PRO  61          1HG       PRO  61  -6.421  16.417   2.502
  482   1HD   PRO  61          2HD       PRO  61  -7.081  15.967  -0.278
  483   2HD   PRO  61          1HD       PRO  61  -7.576  17.317   0.767
  484    H    LYS  62           H        LYS  62  -2.468  16.865  -1.651
  485    HA   LYS  62           HA       LYS  62  -3.416  14.477  -2.956
  486   1HB   LYS  62          2HB       LYS  62  -0.948  16.143  -3.236
  487   2HB   LYS  62          1HB       LYS  62  -0.998  14.536  -3.928
  488   1HG   LYS  62          2HG       LYS  62  -3.325  15.563  -4.848
  489   2HG   LYS  62          1HG       LYS  62  -2.283  16.978  -4.821
  490   1HD   LYS  62          2HD       LYS  62  -2.026  16.010  -6.963
  491   2HD   LYS  62          1HD       LYS  62  -0.569  15.609  -6.054
  492   1HE   LYS  62          2HE       LYS  62  -1.420  13.392  -5.599
  493   2HE   LYS  62          1HE       LYS  62  -2.948  13.787  -6.382
  494   1HZ   LYS  62          1HZ       LYS  62  -0.415  13.044  -7.554
  495   2HZ   LYS  62          2HZ       LYS  62  -1.183  14.341  -8.320
  496   3HZ   LYS  62          3HZ       LYS  62  -1.985  12.862  -8.160
  497    H    GLN  63           H        GLN  63  -3.057  12.485  -2.400
  498    HA   GLN  63           HA       GLN  63  -1.147  11.892  -0.282
  499   1HB   GLN  63          2HB       GLN  63  -2.692   9.685  -1.504
  500   2HB   GLN  63          1HB       GLN  63  -2.375  10.033   0.185
  501   1HG   GLN  63          2HG       GLN  63  -4.424  11.375  -1.562
  502   2HG   GLN  63          1HG       GLN  63  -4.736  10.198  -0.289
  503   1HE2  GLN  63          1HE2      GLN  63  -6.149  11.897   0.529
  504   2HE2  GLN  63          2HE2      GLN  63  -5.475  13.137   1.525
  505    H    SER  64           H        SER  64   0.725  10.854  -0.603
  506    HA   SER  64           HA       SER  64   2.182  10.830  -2.851
  507   1HB   SER  64          2HB       SER  64   2.888   9.969  -0.553
  508   2HB   SER  64          1HB       SER  64   2.292   8.401  -1.094
  509    HG   SER  64           HG       SER  64   3.853   8.276  -2.565
  510    H    SER  65           H        SER  65   2.781   9.309  -4.475
  511    HA   SER  65           HA       SER  65   0.533   7.574  -5.250
  512   1HB   SER  65          2HB       SER  65   2.254   9.440  -6.759
  513   2HB   SER  65          1HB       SER  65   1.940   7.901  -7.560
  514    HG   SER  65           HG       SER  65   0.298  10.011  -7.222
  515    H    LYS  66           H        LYS  66   3.884   7.593  -4.420
  516    HA   LYS  66           HA       LYS  66   5.176   5.674  -5.719
  517   1HB   LYS  66          2HB       LYS  66   6.104   4.839  -3.563
  518   2HB   LYS  66          1HB       LYS  66   6.107   6.592  -3.694
  519   1HG   LYS  66          2HG       LYS  66   5.297   6.429  -1.594
  520   2HG   LYS  66          1HG       LYS  66   3.767   6.294  -2.460
  521   1HD   LYS  66          2HD       LYS  66   4.082   4.604  -0.647
  522   2HD   LYS  66          1HD       LYS  66   3.775   3.906  -2.234
  523   1HE   LYS  66          2HE       LYS  66   6.609   4.314  -1.653
  524   2HE   LYS  66          1HE       LYS  66   5.810   3.199  -0.547
  525   1HZ   LYS  66          1HZ       LYS  66   6.355   2.918  -3.394
  526   2HZ   LYS  66          2HZ       LYS  66   4.885   2.289  -2.844
  527   3HZ   LYS  66          3HZ       LYS  66   6.340   1.747  -2.173
  528    H    TYR  67           H        TYR  67   4.932   3.569  -6.307
  529    HA   TYR  67           HA       TYR  67   2.527   2.258  -5.318
  530   1HB   TYR  67          2HB       TYR  67   2.785   0.715  -7.211
  531   2HB   TYR  67          1HB       TYR  67   2.688   2.390  -7.718
  532    HD1  TYR  67           1HD      TYR  67   4.163   3.129  -9.300
  533    HD2  TYR  67           2HD      TYR  67   5.230  -0.196  -6.881
  534    HE1  TYR  67           1HE      TYR  67   6.195   2.827 -10.631
  535    HE2  TYR  67           2HE      TYR  67   7.271  -0.511  -8.199
  536    HH   TYR  67           HH       TYR  67   8.623   1.686 -10.057
  537    H    LEU  68           H        LEU  68   2.426   0.250  -4.509
  538    HA   LEU  68           HA       LEU  68   4.931  -0.741  -3.367
  539   1HB   LEU  68          2HB       LEU  68   2.416  -0.291  -2.249
  540   2HB   LEU  68          1HB       LEU  68   2.511  -2.035  -2.414
  541    HG   LEU  68           HG       LEU  68   4.475  -2.138  -1.045
  542   1HD1  LEU  68          1HD1      LEU  68   5.929  -0.472  -0.998
  543   2HD1  LEU  68          2HD1      LEU  68   4.772   0.513  -0.103
  544   3HD1  LEU  68          3HD1      LEU  68   4.799   0.565  -1.865
  545   1HD2  LEU  68          1HD2      LEU  68   3.164  -0.268   0.719
  546   2HD2  LEU  68          2HD2      LEU  68   3.255  -2.026   0.812
  547   3HD2  LEU  68          3HD2      LEU  68   1.985  -1.259  -0.141
  548    H    THR  69           H        THR  69   5.538  -2.860  -3.538
  549    HA   THR  69           HA       THR  69   4.209  -4.382  -5.675
  550    HB   THR  69           HB       THR  69   6.494  -5.608  -5.680
  551    HG1  THR  69           1HG      THR  69   7.280  -3.173  -4.463
  552   1HG2  THR  69          1HG2      THR  69   6.395  -2.749  -6.604
  553   2HG2  THR  69          2HG2      THR  69   5.828  -4.154  -7.506
  554   3HG2  THR  69          3HG2      THR  69   7.542  -3.977  -7.138
  555    H    TRP  70           H        TRP  70   2.785  -5.626  -4.593
  556    HA   TRP  70           HA       TRP  70   3.767  -7.216  -2.338
  557   1HB   TRP  70          2HB       TRP  70   1.639  -5.672  -2.211
  558   2HB   TRP  70          1HB       TRP  70   0.861  -7.014  -3.044
  559    HD1  TRP  70           HD       TRP  70   3.520  -7.918  -0.503
  560    HE1  TRP  70           1HE      TRP  70   2.397  -8.968   1.562
  561    HE3  TRP  70           3HE      TRP  70  -1.359  -6.908  -1.626
  562    HZ2  TRP  70           2HZ      TRP  70  -0.209  -9.314   2.581
  563    HZ3  TRP  70           3HZ      TRP  70  -3.108  -7.628  -0.056
  564    HH2  TRP  70           HH       TRP  70  -2.544  -8.808   2.005
  565    H    ARG  71           H        ARG  71   3.693  -9.414  -2.434
  566    HA   ARG  71           HA       ARG  71   2.215 -10.872  -4.313
  567   1HB   ARG  71          2HB       ARG  71   4.031 -11.654  -5.759
  568   2HB   ARG  71          1HB       ARG  71   3.752  -9.931  -5.927
  569   1HG   ARG  71          2HG       ARG  71   5.848 -10.931  -4.057
  570   2HG   ARG  71          1HG       ARG  71   6.171 -10.831  -5.787
  571   1HD   ARG  71          2HD       ARG  71   5.328  -8.570  -3.977
  572   2HD   ARG  71          1HD       ARG  71   6.919  -8.805  -4.690
  573    HE   ARG  71           HE       ARG  71   4.557  -7.774  -5.997
  574   1HH1  ARG  71          1HH1      ARG  71   7.741  -9.151  -6.415
  575   2HH1  ARG  71          2HH1      ARG  71   7.944  -8.509  -8.010
  576   1HH2  ARG  71          1HH2      ARG  71   4.825  -6.933  -8.095
  577   2HH2  ARG  71          2HH2      ARG  71   6.290  -7.252  -8.964
  578    H    ASP  72           H        ASP  72   2.563 -13.133  -4.246
  579    HA   ASP  72           HA       ASP  72   3.385 -13.975  -1.629
  580   1HB   ASP  72          2HB       ASP  72   2.629 -16.216  -2.382
  581   2HB   ASP  72          1HB       ASP  72   1.407 -14.975  -2.640
  582    H    LYS  73           H        LYS  73   4.866 -15.696  -1.243
  583    HA   LYS  73           HA       LYS  73   7.414 -15.380  -1.813
  584   1HB   LYS  73          2HB       LYS  73   7.794 -17.807  -1.477
  585   2HB   LYS  73          1HB       LYS  73   6.693 -17.104  -0.301
  586   1HG   LYS  73          2HG       LYS  73   5.489 -18.313  -2.719
  587   2HG   LYS  73          1HG       LYS  73   6.202 -19.405  -1.531
  588   1HD   LYS  73          2HD       LYS  73   4.832 -18.215   0.218
  589   2HD   LYS  73          1HD       LYS  73   3.997 -17.396  -1.104
  590   1HE   LYS  73          2HE       LYS  73   4.168 -20.310  -1.391
  591   2HE   LYS  73          1HE       LYS  73   3.231 -19.767  -0.001
  592   1HZ   LYS  73          1HZ       LYS  73   2.780 -18.657  -2.705
  593   2HZ   LYS  73          2HZ       LYS  73   1.751 -18.610  -1.362
  594   3HZ   LYS  73          3HZ       LYS  73   2.004 -20.068  -2.181
  595    H    GLU  74           H        GLU  74   5.198 -16.895  -4.093
  596    HA   GLU  74           HA       GLU  74   7.300 -17.696  -5.870
  597   1HB   GLU  74          2HB       GLU  74   4.306 -17.616  -6.055
  598   2HB   GLU  74          1HB       GLU  74   5.275 -17.915  -7.493
  599   1HG   GLU  74          2HG       GLU  74   6.331 -19.646  -5.619
  600   2HG   GLU  74          1HG       GLU  74   4.596 -19.686  -5.304
  601    H    ASN  75           H        ASN  75   6.712 -14.749  -5.001
  602    HA   ASN  75           HA       ASN  75   6.925 -12.678  -5.886
  603   1HB   ASN  75          2HB       ASN  75   8.933 -14.007  -6.905
  604   2HB   ASN  75          1HB       ASN  75   8.027 -13.868  -8.408
  605   1HD2  ASN  75          1HD2      ASN  75   8.514 -12.181  -9.600
  606   2HD2  ASN  75          2HD2      ASN  75   9.154 -10.681  -9.035
  607    H    ASN  76           H        ASN  76   4.384 -13.578  -6.126
  608    HA   ASN  76           HA       ASN  76   3.554 -12.224  -8.570
  609   1HB   ASN  76          2HB       ASN  76   2.724 -15.077  -8.031
  610   2HB   ASN  76          1HB       ASN  76   2.071 -14.052  -9.305
  611   1HD2  ASN  76          1HD2      ASN  76   4.086 -16.502  -8.794
  612   2HD2  ASN  76          2HD2      ASN  76   5.231 -16.249 -10.061
  613    H    SER  77           H        SER  77   1.696 -11.116  -8.367
  614    HA   SER  77           HA       SER  77  -0.588 -11.763  -7.017
  615   1HB   SER  77          2HB       SER  77   0.654 -11.780  -4.922
  616   2HB   SER  77          1HB       SER  77   1.200 -10.133  -5.227
  617    HG   SER  77           HG       SER  77  -1.544 -10.598  -5.260
  618    H    GLY  78           H        GLY  78   1.227  -8.701  -6.588
  619   1HA   GLY  78          2HA       GLY  78  -0.134  -7.405  -8.742
  620   2HA   GLY  78          1HA       GLY  78  -0.873  -7.034  -7.194
  621    H    LEU  79           H        LEU  79   0.256  -5.135  -8.875
  622    HA   LEU  79           HA       LEU  79   2.132  -3.886  -7.070
  623   1HB   LEU  79          2HB       LEU  79   3.755  -5.040  -8.316
  624   2HB   LEU  79          1HB       LEU  79   2.882  -4.831  -9.819
  625    HG   LEU  79           HG       LEU  79   3.548  -2.542  -9.984
  626   1HD1  LEU  79          1HD1      LEU  79   4.090  -2.865  -7.123
  627   2HD1  LEU  79          2HD1      LEU  79   3.636  -1.429  -8.039
  628   3HD1  LEU  79          3HD1      LEU  79   5.318  -1.956  -8.004
  629   1HD2  LEU  79          1HD2      LEU  79   5.323  -3.559 -10.909
  630   2HD2  LEU  79          2HD2      LEU  79   5.527  -4.661  -9.547
  631   3HD2  LEU  79          3HD2      LEU  79   6.172  -3.021  -9.460
  632    H    ILE  80           H        ILE  80   1.234  -1.879  -6.859
  633    HA   ILE  80           HA       ILE  80   0.643  -0.331  -9.243
  634    HB   ILE  80           HB       ILE  80  -1.672   0.073  -8.893
  635   1HG1  ILE  80          2HG1      ILE  80  -1.884   0.144  -6.525
  636   2HG1  ILE  80          1HG1      ILE  80  -2.933  -1.158  -7.072
  637   1HG2  ILE  80          1HG2      ILE  80  -1.108  -1.978 -10.124
  638   2HG2  ILE  80          2HG2      ILE  80  -2.666  -2.080  -9.306
  639   3HG2  ILE  80          3HG2      ILE  80  -1.260  -2.897  -8.624
  640   1HD1  ILE  80          1HD1      ILE  80  -0.417  -1.274  -5.506
  641   2HD1  ILE  80          2HD1      ILE  80  -0.808  -2.622  -6.571
  642   3HD1  ILE  80          3HD1      ILE  80  -1.928  -2.156  -5.292
  643    H    LYS  81           H        LYS  81   0.101   1.868  -8.855
  644    HA   LYS  81           HA       LYS  81   1.298   2.916  -6.430
  645   1HB   LYS  81          2HB       LYS  81   0.827   5.142  -7.656
  646   2HB   LYS  81          1HB       LYS  81   2.080   4.082  -8.278
  647   1HG   LYS  81          2HG       LYS  81   0.664   3.318 -10.034
  648   2HG   LYS  81          1HG       LYS  81  -0.737   4.131  -9.332
  649   1HD   LYS  81          2HD       LYS  81   1.715   5.649 -10.170
  650   2HD   LYS  81          1HD       LYS  81   0.432   5.258 -11.316
  651   1HE   LYS  81          2HE       LYS  81  -1.189   6.393  -9.845
  652   2HE   LYS  81          1HE       LYS  81   0.131   6.833  -8.761
  653   1HZ   LYS  81          1HZ       LYS  81   0.547   7.578 -11.521
  654   2HZ   LYS  81          2HZ       LYS  81   0.791   8.476 -10.108
  655   3HZ   LYS  81          3HZ       LYS  81  -0.757   8.363 -10.780
  656    HA   PRO  82           HA       PRO  82  -2.906   3.641  -4.913
  657   1HB   PRO  82          2HB       PRO  82  -2.109   3.296  -2.257
  658   2HB   PRO  82          1HB       PRO  82  -2.767   2.042  -3.305
  659   1HG   PRO  82          2HG       PRO  82  -0.146   2.180  -2.259
  660   2HG   PRO  82          1HG       PRO  82  -0.751   1.043  -3.473
  661   1HD   PRO  82          2HD       PRO  82   0.804   3.551  -3.830
  662   2HD   PRO  82          1HD       PRO  82   0.798   2.071  -4.809
  663    H    PHE  83           H        PHE  83  -3.305   4.813  -2.503
  664    HA   PHE  83           HA       PHE  83  -2.034   7.438  -2.802
  665   1HB   PHE  83          2HB       PHE  83  -4.832   6.614  -2.312
  666   2HB   PHE  83          1HB       PHE  83  -4.266   7.969  -1.343
  667    HD1  PHE  83           1HD      PHE  83  -2.416   9.223  -3.339
  668    HD2  PHE  83           2HD      PHE  83  -6.351   7.659  -3.741
  669    HE1  PHE  83           1HE      PHE  83  -2.825  10.747  -5.228
  670    HE2  PHE  83           2HE      PHE  83  -6.767   9.178  -5.630
  671    HZ   PHE  83           HZ       PHE  83  -5.003  10.724  -6.377
  672    H    VAL  84           H        VAL  84  -0.706   7.946  -1.235
  673    HA   VAL  84           HA       VAL  84  -0.869   6.572   1.321
  674    HB   VAL  84           HB       VAL  84   1.419   8.184   0.251
  675   1HG1  VAL  84          1HG1      VAL  84   2.562   7.546   2.024
  676   2HG1  VAL  84          2HG1      VAL  84   1.927   5.902   1.966
  677   3HG1  VAL  84          3HG1      VAL  84   0.984   7.186   2.723
  678   1HG2  VAL  84          1HG2      VAL  84   1.512   6.628  -1.386
  679   2HG2  VAL  84          2HG2      VAL  84   0.530   5.474  -0.485
  680   3HG2  VAL  84          3HG2      VAL  84   2.248   5.648  -0.117
  681    H    ILE  85           H        ILE  85  -1.862   7.672   2.862
  682    HA   ILE  85           HA       ILE  85  -1.405  10.580   3.013
  683    HB   ILE  85           HB       ILE  85  -3.735   9.564   4.483
  684   1HG1  ILE  85          2HG1      ILE  85  -3.627   9.416   1.466
  685   2HG1  ILE  85          1HG1      ILE  85  -4.036   8.124   2.587
  686   1HG2  ILE  85          1HG2      ILE  85  -2.950  11.922   2.851
  687   2HG2  ILE  85          2HG2      ILE  85  -3.648  11.847   4.468
  688   3HG2  ILE  85          3HG2      ILE  85  -4.670  11.590   3.056
  689   1HD1  ILE  85          1HD1      ILE  85  -5.879  10.132   3.114
  690   2HD1  ILE  85          2HD1      ILE  85  -6.156   8.630   2.232
  691   3HD1  ILE  85          3HD1      ILE  85  -5.722  10.097   1.359
  692    HA   PRO  86           HA       PRO  86   0.436   9.628   6.912
  693   1HB   PRO  86          2HB       PRO  86   0.613  12.094   7.968
  694   2HB   PRO  86          1HB       PRO  86   1.596  11.596   6.586
  695   1HG   PRO  86          2HG       PRO  86  -0.898  13.243   6.643
  696   2HG   PRO  86          1HG       PRO  86   0.570  13.465   5.674
  697   1HD   PRO  86          2HD       PRO  86  -1.738  12.312   4.733
  698   2HD   PRO  86          1HD       PRO  86  -0.126  11.991   4.070
  699    H    ASN  87           H        ASN  87  -2.168   8.850   7.043
  700    HA   ASN  87           HA       ASN  87  -2.832   9.592   9.756
  701   1HB   ASN  87          2HB       ASN  87  -4.082  11.026   7.830
  702   2HB   ASN  87          1HB       ASN  87  -5.200   9.674   7.992
  703   1HD2  ASN  87          1HD2      ASN  87  -6.812  10.167   9.274
  704   2HD2  ASN  87          2HD2      ASN  87  -6.717  11.094  10.729
  705    H    LEU  88           H        LEU  88  -2.218   7.186   7.807
  706    HA   LEU  88           HA       LEU  88  -2.681   4.963   7.786
  707   1HB   LEU  88          2HB       LEU  88  -2.587   5.460  10.306
  708   2HB   LEU  88          1HB       LEU  88  -4.336   5.375  10.257
  709    HG   LEU  88           HG       LEU  88  -4.053   3.047   9.256
  710   1HD1  LEU  88          1HD1      LEU  88  -1.239   3.531  10.216
  711   2HD1  LEU  88          2HD1      LEU  88  -1.760   3.154   8.573
  712   3HD1  LEU  88          3HD1      LEU  88  -1.907   1.941   9.846
  713   1HD2  LEU  88          1HD2      LEU  88  -3.115   2.313  11.709
  714   2HD2  LEU  88          2HD2      LEU  88  -4.787   2.746  11.352
  715   3HD2  LEU  88          3HD2      LEU  88  -3.687   3.953  12.016
  716    HA   PRO  89           HA       PRO  89  -6.857   5.696   5.970
  717   1HB   PRO  89          2HB       PRO  89  -5.742   4.532   3.547
  718   2HB   PRO  89          1HB       PRO  89  -6.394   6.152   3.800
  719   1HG   PRO  89          2HG       PRO  89  -3.757   5.688   3.363
  720   2HG   PRO  89          1HG       PRO  89  -4.345   7.035   4.351
  721   1HD   PRO  89          2HD       PRO  89  -3.284   4.368   5.223
  722   2HD   PRO  89          1HD       PRO  89  -2.927   5.986   5.869
  723    H    VAL  90           H        VAL  90  -5.519   3.229   7.326
  724    HA   VAL  90           HA       VAL  90  -6.278   1.156   7.869
  725    HB   VAL  90           HB       VAL  90  -8.300   1.491   5.671
  726   1HG1  VAL  90          1HG1      VAL  90  -9.415  -0.117   7.575
  727   2HG1  VAL  90          2HG1      VAL  90  -7.726  -0.619   7.612
  728   3HG1  VAL  90          3HG1      VAL  90  -8.632  -0.685   6.101
  729   1HG2  VAL  90          1HG2      VAL  90  -8.086   2.884   8.127
  730   2HG2  VAL  90          2HG2      VAL  90  -9.442   1.764   8.261
  731   3HG2  VAL  90          3HG2      VAL  90  -9.396   2.940   6.947
  732    H    ASN  91           H        ASN  91  -4.865   2.026   5.015
  733    HA   ASN  91           HA       ASN  91  -3.780   0.915   3.346
  734   1HB   ASN  91          2HB       ASN  91  -2.721  -0.012   5.482
  735   2HB   ASN  91          1HB       ASN  91  -3.711  -1.443   5.222
  736   1HD2  ASN  91          1HD2      ASN  91  -3.459  -2.535   3.140
  737   2HD2  ASN  91          2HD2      ASN  91  -1.897  -2.559   2.403
  738    H    LEU  92           H        LEU  92  -5.627   0.824   1.960
  739    HA   LEU  92           HA       LEU  92  -6.996  -1.782   1.890
  740   1HB   LEU  92          2HB       LEU  92  -7.834   0.960   1.332
  741   2HB   LEU  92          1HB       LEU  92  -8.208  -0.126   0.012
  742    HG   LEU  92           HG       LEU  92 -10.057   0.170   1.656
  743   1HD1  LEU  92          1HD1      LEU  92 -10.093  -2.510   2.039
  744   2HD1  LEU  92          2HD1      LEU  92  -8.908  -2.370   0.739
  745   3HD1  LEU  92          3HD1      LEU  92 -10.531  -1.710   0.529
  746   1HD2  LEU  92          1HD2      LEU  92  -9.866  -0.306   3.840
  747   2HD2  LEU  92          2HD2      LEU  92  -8.140  -0.077   3.558
  748   3HD2  LEU  92          3HD2      LEU  92  -8.828  -1.702   3.550
  749    H    TRP  93           H        TRP  93  -6.746  -3.116   0.183
  750    HA   TRP  93           HA       TRP  93  -4.797  -2.320  -1.818
  751   1HB   TRP  93          2HB       TRP  93  -5.165  -4.682  -0.498
  752   2HB   TRP  93          1HB       TRP  93  -5.964  -5.005  -2.025
  753    HD1  TRP  93           HD       TRP  93  -4.163  -6.692  -2.904
  754    HE1  TRP  93           1HE      TRP  93  -1.748  -6.424  -3.738
  755    HE3  TRP  93           3HE      TRP  93  -3.238  -1.919  -1.268
  756    HZ2  TRP  93           2HZ      TRP  93   0.275  -4.462  -3.713
  757    HZ3  TRP  93           3HZ      TRP  93  -1.037  -0.932  -1.731
  758    HH2  TRP  93           HH       TRP  93   0.682  -2.180  -2.925
  759    H    GLY  94           H        GLY  94  -5.307  -3.206  -4.109
  760   1HA   GLY  94          2HA       GLY  94  -7.979  -2.164  -4.742
  761   2HA   GLY  94          1HA       GLY  94  -6.608  -2.168  -5.822
  762    H    ARG  95           H        ARG  95  -9.417  -3.238  -5.986
  763    HA   ARG  95           HA       ARG  95  -9.621  -5.963  -5.861
  764   1HB   ARG  95          2HB       ARG  95 -11.182  -5.729  -7.891
  765   2HB   ARG  95          1HB       ARG  95 -11.585  -4.865  -6.419
  766   1HG   ARG  95          2HG       ARG  95 -10.111  -3.001  -7.738
  767   2HG   ARG  95          1HG       ARG  95 -10.893  -3.849  -9.073
  768   1HD   ARG  95          2HD       ARG  95 -12.344  -2.741  -6.674
  769   2HD   ARG  95          1HD       ARG  95 -12.186  -1.903  -8.211
  770    HE   ARG  95           HE       ARG  95 -13.817  -4.254  -7.655
  771   1HH1  ARG  95          1HH1      ARG  95 -12.632  -1.954 -10.008
  772   2HH1  ARG  95          2HH1      ARG  95 -13.864  -2.323 -11.165
  773   1HH2  ARG  95          1HH2      ARG  95 -15.430  -4.733  -9.181
  774   2HH2  ARG  95          2HH2      ARG  95 -15.450  -3.899 -10.698
  775    H    ASP  96           H        ASP  96  -7.833  -4.123  -8.231
  776    HA   ASP  96           HA       ASP  96  -7.611  -6.108 -10.208
  777   1HB   ASP  96          2HB       ASP  96  -6.165  -3.625  -9.506
  778   2HB   ASP  96          1HB       ASP  96  -5.240  -4.799 -10.437
  779    H    LEU  97           H        LEU  97  -5.639  -5.383  -7.372
  780    HA   LEU  97           HA       LEU  97  -3.797  -7.523  -7.865
  781   1HB   LEU  97          2HB       LEU  97  -4.218  -5.737  -5.485
  782   2HB   LEU  97          1HB       LEU  97  -2.941  -6.936  -5.597
  783    HG   LEU  97           HG       LEU  97  -2.321  -5.693  -7.801
  784   1HD1  LEU  97          1HD1      LEU  97  -2.801  -3.176  -7.330
  785   2HD1  LEU  97          2HD1      LEU  97  -4.182  -3.810  -6.437
  786   3HD1  LEU  97          3HD1      LEU  97  -4.001  -4.172  -8.153
  787   1HD2  LEU  97          1HD2      LEU  97  -1.173  -5.795  -5.472
  788   2HD2  LEU  97          2HD2      LEU  97  -1.742  -4.132  -5.333
  789   3HD2  LEU  97          3HD2      LEU  97  -0.668  -4.589  -6.652
  790    H    LEU  98           H        LEU  98  -6.635  -7.066  -5.788
  791    HA   LEU  98           HA       LEU  98  -6.270  -9.459  -4.306
  792   1HB   LEU  98          2HB       LEU  98  -8.743  -7.826  -4.896
  793   2HB   LEU  98          1HB       LEU  98  -8.765  -9.255  -3.883
  794    HG   LEU  98           HG       LEU  98  -8.611  -7.610  -2.294
  795   1HD1  LEU  98          1HD1      LEU  98  -6.662  -9.152  -2.104
  796   2HD1  LEU  98          2HD1      LEU  98  -6.408  -7.565  -1.373
  797   3HD1  LEU  98          3HD1      LEU  98  -5.691  -7.939  -2.939
  798   1HD2  LEU  98          1HD2      LEU  98  -8.291  -5.885  -4.206
  799   2HD2  LEU  98          2HD2      LEU  98  -6.587  -5.990  -3.763
  800   3HD2  LEU  98          3HD2      LEU  98  -7.779  -5.485  -2.567
  801    H    SER  99           H        SER  99  -8.225  -8.672  -7.156
  802    HA   SER  99           HA       SER  99  -9.383 -11.142  -7.624
  803   1HB   SER  99          2HB       SER  99  -8.511  -8.948  -9.498
  804   2HB   SER  99          1HB       SER  99  -9.321 -10.400 -10.081
  805    HG   SER  99           HG       SER  99 -11.016  -9.181  -9.660
  806    H    GLN 100           H        GLN 100  -6.258  -9.900  -8.791
  807    HA   GLN 100           HA       GLN 100  -5.551 -12.260 -10.202
  808   1HB   GLN 100          2HB       GLN 100  -3.987  -9.918  -9.157
  809   2HB   GLN 100          1HB       GLN 100  -3.194 -11.260  -9.970
  810   1HG   GLN 100          2HG       GLN 100  -4.262 -10.807 -12.003
  811   2HG   GLN 100          1HG       GLN 100  -5.463  -9.768 -11.237
  812   1HE2  GLN 100          1HE2      GLN 100  -5.076  -7.979 -12.454
  813   2HE2  GLN 100          2HE2      GLN 100  -3.604  -7.077 -12.391
  814    H    MET 101           H        MET 101  -4.492 -10.986  -7.045
  815    HA   MET 101           HA       MET 101  -2.761 -12.896  -6.203
  816   1HB   MET 101          2HB       MET 101  -3.726 -10.821  -4.975
  817   2HB   MET 101          1HB       MET 101  -4.907 -11.950  -4.328
  818   1HG   MET 101          2HG       MET 101  -3.028 -13.317  -3.453
  819   2HG   MET 101          1HG       MET 101  -1.921 -12.053  -3.988
  820   1HE   MET 101          1HE       MET 101  -2.895  -9.564  -3.621
  821   2HE   MET 101          2HE       MET 101  -3.105  -8.993  -1.965
  822   3HE   MET 101          3HE       MET 101  -4.502  -9.544  -2.892
  823    H    LYS 102           H        LYS 102  -6.265 -13.068  -5.494
  824    HA   LYS 102           HA       LYS 102  -6.617 -15.720  -6.264
  825   1HB   LYS 102          2HB       LYS 102  -5.023 -15.763  -4.096
  826   2HB   LYS 102          1HB       LYS 102  -6.590 -15.759  -3.300
  827   1HG   LYS 102          2HG       LYS 102  -5.990 -18.016  -3.531
  828   2HG   LYS 102          1HG       LYS 102  -7.204 -17.713  -4.775
  829   1HD   LYS 102          2HD       LYS 102  -5.674 -18.785  -6.067
  830   2HD   LYS 102          1HD       LYS 102  -5.011 -17.155  -6.192
  831   1HE   LYS 102          2HE       LYS 102  -3.251 -17.613  -4.799
  832   2HE   LYS 102          1HE       LYS 102  -4.129 -18.870  -3.928
  833   1HZ   LYS 102          1HZ       LYS 102  -2.522 -19.062  -6.333
  834   2HZ   LYS 102          2HZ       LYS 102  -3.961 -19.952  -6.361
  835   3HZ   LYS 102          3HZ       LYS 102  -2.825 -20.220  -5.136
  836    H    ILE 103           H        ILE 103  -8.142 -13.437  -6.519
  837    HA   ILE 103           HA       ILE 103 -10.438 -14.033  -4.756
  838    HB   ILE 103           HB       ILE 103  -9.416 -11.420  -5.775
  839   1HG1  ILE 103          2HG1      ILE 103 -10.202 -10.749  -3.452
  840   2HG1  ILE 103          1HG1      ILE 103 -10.519 -12.457  -3.169
  841   1HG2  ILE 103          1HG2      ILE 103 -11.536 -11.150  -6.658
  842   2HG2  ILE 103          2HG2      ILE 103 -11.722 -10.498  -5.030
  843   3HG2  ILE 103          3HG2      ILE 103 -12.293 -12.126  -5.397
  844   1HD1  ILE 103          1HD1      ILE 103  -8.437 -12.500  -2.383
  845   2HD1  ILE 103          2HD1      ILE 103  -8.003 -10.987  -3.178
  846   3HD1  ILE 103          3HD1      ILE 103  -7.951 -12.503  -4.077
  847    H    MET 104           H        MET 104  -9.466 -13.083  -8.032
  848    HA   MET 104           HA       MET 104 -12.003 -13.155  -9.213
  849   1HB   MET 104          2HB       MET 104 -10.865 -13.322 -11.332
  850   2HB   MET 104          1HB       MET 104  -9.960 -12.234 -10.290
  851   1HG   MET 104          2HG       MET 104  -8.611 -14.402  -9.717
  852   2HG   MET 104          1HG       MET 104  -9.258 -14.954 -11.260
  853   1HE   MET 104          1HE       MET 104  -5.984 -14.518 -12.460
  854   2HE   MET 104          2HE       MET 104  -7.244 -14.175 -13.644
  855   3HE   MET 104          3HE       MET 104  -7.519 -15.382 -12.386
  856    H    MET 105           H        MET 105 -13.232 -14.757 -10.103
  857    HA   MET 105           HA       MET 105 -12.940 -17.375  -9.090
  858   1HB   MET 105          2HB       MET 105 -15.013 -15.970 -10.114
  859   2HB   MET 105          1HB       MET 105 -14.640 -17.011 -11.481
  860   1HG   MET 105          2HG       MET 105 -15.334 -18.883 -10.425
  861   2HG   MET 105          1HG       MET 105 -14.815 -18.316  -8.840
  862   1HE   MET 105          1HE       MET 105 -18.627 -18.155 -11.024
  863   2HE   MET 105          2HE       MET 105 -17.026 -17.890 -11.720
  864   3HE   MET 105          3HE       MET 105 -18.016 -16.514 -11.232
  865    H    ALA 106           H        ALA 106 -10.711 -17.752  -9.820
  866    HA   ALA 106           HA       ALA 106 -10.325 -18.275 -12.646
  867   1HB   ALA 106          1HB       ALA 106  -8.018 -18.907 -11.938
  868   2HB   ALA 106          2HB       ALA 106  -8.485 -18.545 -10.276
  869   3HB   ALA 106          3HB       ALA 106  -8.486 -17.267 -11.491
  870    H    SER 107           H        SER 107 -11.294 -20.070 -13.378
  871    HA   SER 107           HA       SER 107 -10.829 -22.572 -11.891
  872   1HB   SER 107          2HB       SER 107 -13.228 -21.760 -11.883
  873   2HB   SER 107          1HB       SER 107 -13.241 -22.021 -13.628
  874    HG   SER 107           HG       SER 107 -12.564 -24.032 -11.749