*HEADER    TOXIN                                   17-MAY-05   1X5V              
*TITLE     NMR STRUCTURE OF PCFK1                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PCFK1;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSALMOPOEUS CAMBRIDGEI;                         
*SOURCE   3 ORGANISM_COMMON: TRINIDAD CHEVRON TARANTULA;                         
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    INHIBITORY CYSTINE KNOT                                               
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    C.PIMENTEL, S.J.CHOI, B.CHAGOT, C.GUETTE, J.M.CAMADRO,                
*AUTHOR   2 H.DARBON                                                             
*REVDAT   1   04-APR-06 1X5V    0                                                


 ASSI {    2}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.27831E-02 ppm1      4.294 ppm2      9.507 CV     1
 ASSI {    3}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.16813E-02 ppm1      3.218 ppm2      9.507 CV     1
 ASSI {    4}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.60218E-02 ppm1      2.375 ppm2      9.507 CV     1
 ASSI {    5}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.52345E-03 ppm1      3.218 ppm2      4.297 CV     1
 ASSI {    6}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.200     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11315E-02 ppm1      2.376 ppm2      4.297 CV     1
 ASSI {    7}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.600     0.300     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.36826E-01 ppm1      2.377 ppm2      3.221 CV     1
 ASSI {    8}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     2.200     3.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.11162E-01 ppm1      3.849 ppm2      9.442 CV     1
 ASSI {    9}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.47331E-03 ppm1      3.767 ppm2      9.442 CV     1
 ASSI {   10}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.600     1.700     1.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.50966E-03 ppm1      3.386 ppm2      9.442 CV     1
 ASSI {   11}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.57905E-02 ppm1      3.386 ppm2      3.849 CV     1
 ASSI {   12}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.21259E-02 ppm1      3.766 ppm2      3.849 CV     1
 ASSI {   13}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
      1.800     0.400     0.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.18842E-01 ppm1      3.386 ppm2      3.769 CV     1
 ASSI {   14}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.31044E-02 ppm1      4.462 ppm2      9.400 CV     1
 ASSI {   15}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.500     1.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.15768E-02 ppm1      2.052 ppm2      9.399 CV     1
 OR {   15}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {   16}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.14113E-02 ppm1      1.772 ppm2      9.399 CV     1
 ASSI {   17}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.13947E-02 ppm1      1.705 ppm2      9.399 CV     1
 ASSI {   18}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.055 ppm2      4.462 CV     1
 OR {   18}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {   19}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.770 ppm2      4.462 CV     1
 ASSI {   20}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     6.000     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.65786E-05 ppm1      1.705 ppm2      4.462 CV     1
 ASSI {   21}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG3 ))
      2.600     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.46611E-02 ppm1      1.705 ppm2      2.057 CV     1
 OR {   21}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI {   22}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.500     0.800     0.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.57587E-02 ppm1      1.772 ppm2      2.057 CV     1
 OR {   22}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI {   24}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.29541E-02 ppm1      4.222 ppm2      9.270 CV     1
 ASSI {   26}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HN  ))
      5.300     3.400     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.15685E-03 ppm1      2.929 ppm2      9.270 CV     1
 OR {   26}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {   28}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     6.000     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.60246E-05 ppm1      2.929 ppm2      4.222 CV     1
 OR {   28}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {   29}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.55454E-02 ppm1      1.420 ppm2      9.271 CV     1
 OR {   29}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {   31}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.13905E-02 ppm1      1.419 ppm2      4.223 CV     1
 OR {   31}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {   32}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HD2 ))
      2.500     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.63868E-02 ppm1      1.418 ppm2      2.933 CV     1
 OR {   32}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   32}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   32}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      5.000     3.100     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.15685E-03 ppm1      1.208 ppm2      9.271 CV     1
 ASSI {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     6.000     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.51936E-05 ppm1      1.207 ppm2      4.223 CV     1
 ASSI {   36}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HD2 ))
      2.600     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.47754E-02 ppm1      1.208 ppm2      2.933 CV     1
 OR {   36}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI {   37}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.900     1.000     1.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.22277E-02 ppm1      1.207 ppm2      1.420 CV     1
 OR {   37}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   38}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      4.800     2.900     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.22831E-03 ppm1      1.036 ppm2      9.271 CV     1
 ASSI {   40}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     6.000     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.52629E-05 ppm1      1.035 ppm2      4.223 CV     1
 ASSI {   41}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HD3 ))
      2.500     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.48079E-02 ppm1      1.037 ppm2      2.933 CV     1
 OR {   41}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI {   42}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.43169E-02 ppm1      1.036 ppm2      1.419 CV     1
 OR {   42}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI {   43}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HG2 ))
      1.700     0.400     0.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.21038E-01 ppm1      1.036 ppm2      1.208 CV     1
 ASSI {   45}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.56188E-02 ppm1      2.602 ppm2      9.125 CV     1
 ASSI {   47}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.400     1.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.27700E-02 ppm1      1.426 ppm2      8.934 CV     1
 ASSI {   48}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak    48 spectrum    1 weight  0.10000E+01 volume  0.18829E-02 ppm1      1.626 ppm2      8.934 CV     1
 OR {   48}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {   49}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.18441E-02 ppm1      0.872 ppm2      8.934 CV     1
 ASSI {   52}
   (( segid "    " and resid 30   and name HG  ))
   (  segid "    " and resid 30   and name HD2%)
      2.100     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.13372E-01 ppm1      0.872 ppm2      1.426 CV     1
 ASSI {   53}
   (( segid "    " and resid 3    and name HA1 ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.100     1.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33482E-02 ppm1      4.178 ppm2      8.891 CV     1
 ASSI {   54}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.100     0.600     0.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.90298E-02 ppm1      3.767 ppm2      8.891 CV     1
 ASSI {   55}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 3    and name HA1 ))
      2.100     0.500     0.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.54249E-02 ppm1      3.770 ppm2      4.179 CV     1
 ASSI {   56}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.33260E-02 ppm1      4.438 ppm2      8.722 CV     1
 ASSI {   57}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     6.000     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.65786E-05 ppm1      4.226 ppm2      8.722 CV     1
 OR {   57}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {   58}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     6.000     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.13849E-04 ppm1      2.459 ppm2      8.722 CV     1
 ASSI {   60}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.226 ppm2      4.440 CV     1
 OR {   60}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {   61}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.459 ppm2      4.440 CV     1
 ASSI {   63}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.800     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.25345E-04 ppm1      2.459 ppm2      4.228 CV     1
 OR {   63}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {   66}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.41321E-02 ppm1      4.158 ppm2      8.694 CV     1
 ASSI {   67}
   (( segid "    " and resid 21   and name HA2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.86628E-02 ppm1      3.497 ppm2      8.694 CV     1
 ASSI {   68}
   (( segid "    " and resid 21   and name HA2 ))
   (( segid "    " and resid 21   and name HA1 ))
      2.200     0.600     0.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.56022E-02 ppm1      3.497 ppm2      4.161 CV     1
 ASSI {   69}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.11744E-01 ppm1      4.022 ppm2      8.637 CV     1
 ASSI {   70}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.45558E-03 ppm1      3.100 ppm2      8.637 CV     1
 ASSI {   71}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.42622E-03 ppm1      2.970 ppm2      8.637 CV     1
 ASSI {   72}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.20497E-02 ppm1      2.970 ppm2      4.016 CV     1
 ASSI {   73}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.500     1.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.78665E-03 ppm1      3.100 ppm2      4.016 CV     1
 ASSI {   74}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.600     0.300     0.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.30428E-01 ppm1      2.970 ppm2      3.100 CV     1
 ASSI {   75}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.100     2.100     3.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.17007E-01 ppm1      3.973 ppm2      8.604 CV     1
 ASSI {   76}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      2.100     0.600     0.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.14598E-01 ppm1      2.655 ppm2      8.604 CV     1
 OR {   76}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {   77}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.58785E-02 ppm1      2.655 ppm2      3.975 CV     1
 OR {   77}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {   78}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.32546E-02 ppm1      4.556 ppm2      8.600 CV     1
 ASSI {   79}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.300     0.700     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.84343E-02 ppm1      2.831 ppm2      8.600 CV     1
 OR {   79}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {   81}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.100     1.200     1.200 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11578E-02 ppm1      4.558 ppm2      2.832 CV     1
 OR {   81}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {   82}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.28745E-02 ppm1      4.988 ppm2      8.594 CV     1
 ASSI {   83}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.91958E-02 ppm1      2.960 ppm2      8.596 CV     1
 ASSI {   85}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.40538E-02 ppm1      2.736 ppm2      8.596 CV     1
 ASSI {   87}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
      1.800     0.400     0.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.18746E-01 ppm1      2.734 ppm2      2.963 CV     1
 ASSI {   88}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.21612E-02 ppm1      4.877 ppm2      8.533 CV     1
 ASSI {   89}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.200     0.600     0.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.72569E-02 ppm1      2.941 ppm2      8.533 CV     1
 ASSI {   90}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.942 ppm2      4.880 CV     1
 ASSI {   92}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak    92 spectrum    1 weight  0.10000E+01 volume  0.17215E-02 ppm1      2.336 ppm2      8.533 CV     1
 ASSI {   93}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.336 ppm2      4.880 CV     1
 ASSI {   94}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
      1.600     0.300     0.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.36438E-01 ppm1      2.336 ppm2      2.944 CV     1
 ASSI {   98}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.28891E-02 ppm1      5.050 ppm2      8.443 CV     1
 ASSI {  102}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 8    and name HA  ))
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.817 ppm2      5.053 CV     1
 ASSI {  104}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.47096E-02 ppm1      2.651 ppm2      8.443 CV     1
 ASSI {  105}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      6.000     5.400     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.21883E-04 ppm1      2.651 ppm2      5.053 CV     1
 ASSI {  107}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.56881E-02 ppm1      2.525 ppm2      8.443 CV     1
 ASSI {  108}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.525 ppm2      5.053 CV     1
 ASSI {  110}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HB2 ))
      1.700     0.300     0.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.29472E-01 ppm1      2.525 ppm2      2.651 CV     1
 ASSI {  117}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.700     0.900     0.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.33530E-02 ppm1      4.500 ppm2      8.347 CV     1
 ASSI {  118}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
      3.100     1.200     1.200 peak   118 spectrum    1 weight  0.10000E+01 volume  0.12666E-02 ppm1      2.659 ppm2      8.345 CV     1
 ASSI {  119}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
      4.400     2.400     1.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.21765E-03 ppm1      2.657 ppm2      4.500 CV     1
 ASSI {  121}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.96806E-03 ppm1      3.075 ppm2      8.247 CV     1
 ASSI {  122}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.38786E-03 ppm1      2.589 ppm2      8.247 CV     1
 ASSI {  124}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.11842E-01 ppm1      3.805 ppm2      8.202 CV     1
 ASSI {  125}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.200     2.200     3.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.97430E-02 ppm1      4.016 ppm2      8.202 CV     1
 ASSI {  126}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 27   and name HA1 ))
      2.100     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.84272E-02 ppm1      3.808 ppm2      4.021 CV     1
 ASSI {  134}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.30338E-02 ppm1      5.028 ppm2      8.147 CV     1
 ASSI {  135}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.54637E-02 ppm1      2.035 ppm2      8.147 CV     1
 ASSI {  136}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     5.300     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.26799E-04 ppm1      2.035 ppm2      5.031 CV     1
 ASSI {  137}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.100     1.100 peak   137 spectrum    1 weight  0.10000E+01 volume  0.25511E-02 ppm1      1.155 ppm2      8.147 CV     1
 ASSI {  138}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     6.000     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.26314E-05 ppm1      1.155 ppm2      5.031 CV     1
 ASSI {  139}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.48404E-02 ppm1      1.155 ppm2      2.038 CV     1
 ASSI {  140}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      4.100     2.100     1.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1      0.904 ppm2      8.147 CV     1
 ASSI {  141}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.904 ppm2      5.031 CV     1
 ASSI {  142}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      1.500     0.300     0.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.32187E-01 ppm1      0.906 ppm2      2.038 CV     1
 ASSI {  143}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HG  ))
      2.500     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.50724E-02 ppm1      0.904 ppm2      1.158 CV     1
 ASSI {  144}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB3 ))
      3.400     1.500     1.500 peak   144 spectrum    1 weight  0.10000E+01 volume  0.13490E-02 ppm1      0.602 ppm2      0.905 CV     1
 ASSI {  145}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
      2.400     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.69941E-02 ppm1      0.602 ppm2      1.158 CV     1
 ASSI {  146}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.59242E-02 ppm1      0.602 ppm2      2.038 CV     1
 ASSI {  147}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      6.000     6.000     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.51936E-05 ppm1      0.602 ppm2      5.031 CV     1
 ASSI {  148}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.31418E-03 ppm1      0.602 ppm2      8.146 CV     1
 ASSI {  155}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      4.900     3.000     1.100 peak   155 spectrum    1 weight  0.10000E+01 volume  0.20678E-03 ppm1      0.468 ppm2      8.147 CV     1
 ASSI {  156}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
      6.000     6.000     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.12673E-04 ppm1      0.468 ppm2      5.031 CV     1
 ASSI {  157}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.17333E-02 ppm1      0.468 ppm2      2.038 CV     1
 ASSI {  158}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
      2.400     0.700     0.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.72228E-02 ppm1      0.468 ppm2      1.158 CV     1
 ASSI {  159}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB3 ))
      2.800     1.000     1.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.26412E-02 ppm1      0.468 ppm2      0.905 CV     1
 ASSI {  160}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.468 ppm2      0.606 CV     1
 ASSI {  161}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.000     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.23822E-04 ppm1      3.946 ppm2      8.107 CV     1
 ASSI {  162}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.200     1.200 peak   162 spectrum    1 weight  0.10000E+01 volume  0.21557E-02 ppm1      1.879 ppm2      8.107 CV     1
 ASSI {  163}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.32485E-03 ppm1      1.879 ppm2      3.949 CV     1
 ASSI {  164}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16959E-02 ppm1      0.792 ppm2      8.107 CV     1
 OR {  164}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  165}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      3.500     1.600     1.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.97296E-03 ppm1      0.792 ppm2      3.949 CV     1
 OR {  165}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
 ASSI {  166}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HB  ))
      2.300     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.95912E-02 ppm1      0.792 ppm2      1.882 CV     1
 OR {  166}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 33   and name HB  ))
 ASSI {  167}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.50918E-02 ppm1      3.701 ppm2      8.067 CV     1
 ASSI {  168}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.41743E-02 ppm1      1.816 ppm2      8.067 CV     1
 ASSI {  172}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak   172 spectrum    1 weight  0.10000E+01 volume  0.80468E-02 ppm1      0.733 ppm2      8.067 CV     1
 ASSI {  176}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.71675E-02 ppm1      3.950 ppm2      8.075 CV     1
 ASSI {  179}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.38128E-02 ppm1      1.300 ppm2      8.075 CV     1
 ASSI {  180}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.35289E-02 ppm1      1.300 ppm2      3.953 CV     1
 ASSI {  181}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
      2.800     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.40275E-02 ppm1      0.844 ppm2      8.067 CV     1
 ASSI {  184}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.65184E-02 ppm1      4.012 ppm2      8.042 CV     1
 ASSI {  185}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.500     1.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.15304E-02 ppm1      2.041 ppm2      8.042 CV     1
 ASSI {  186}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
      4.700     2.800     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.16986E-03 ppm1      2.041 ppm2      4.012 CV     1
 ASSI {  187}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HA  ))
      4.500     2.600     1.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.18967E-03 ppm1      1.948 ppm2      4.012 CV     1
 ASSI {  188}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.900     1.900     1.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.74166E-03 ppm1      1.948 ppm2      8.042 CV     1
 ASSI {  190}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.24812E-02 ppm1      1.631 ppm2      8.042 CV     1
 ASSI {  194}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.60128E-02 ppm1      3.873 ppm2      7.967 CV     1
 ASSI {  195}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.41466E-02 ppm1      1.558 ppm2      7.967 CV     1
 ASSI {  196}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.200     1.200 peak   196 spectrum    1 weight  0.10000E+01 volume  0.16835E-02 ppm1      1.558 ppm2      3.876 CV     1
 ASSI {  199}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
      3.100     1.200     1.200 peak   199 spectrum    1 weight  0.10000E+01 volume  0.17063E-02 ppm1      1.418 ppm2      4.006 CV     1
 ASSI {  203}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.000     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.13898E-02 ppm1      2.896 ppm2      7.923 CV     1
 ASSI {  204}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.71121E-02 ppm1      2.582 ppm2      7.923 CV     1
 OR {  204}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  209}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.27339E-02 ppm1      5.226 ppm2      7.667 CV     1
 ASSI {  210}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     6.000     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.45704E-05 ppm1      2.878 ppm2      7.667 CV     1
 OR {  210}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  211}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.879 ppm2      5.229 CV     1
 OR {  211}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  212}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak   212 spectrum    1 weight  0.10000E+01 volume  0.22617E-02 ppm1      1.687 ppm2      7.667 CV     1
 OR {  212}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  213}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.600     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.18697E-04 ppm1      1.687 ppm2      5.229 CV     1
 OR {  213}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  214}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HE2 ))
      3.700     1.700     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.12118E-02 ppm1      1.687 ppm2      2.881 CV     1
 OR {  214}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HE3 ))
 OR {  214}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HE2 ))
 OR {  214}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HE3 ))
 ASSI {  215}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HN  ))
      4.600     2.700     1.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.34624E-03 ppm1      1.350 ppm2      7.667 CV     1
 ASSI {  216}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.351 ppm2      5.229 CV     1
 ASSI {  217}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HE3 ))
      2.600     0.800     0.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.48280E-02 ppm1      1.351 ppm2      2.881 CV     1
 OR {  217}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HE2 ))
 ASSI {  218}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.200     0.600     0.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.12769E-01 ppm1      1.351 ppm2      1.690 CV     1
 OR {  218}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI {  221}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HD3 ))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      1.354 CV     1
 OR {  221}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HD3 ))
 ASSI {  222}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.000     0.500     0.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.17644E-01 ppm1      1.268 ppm2      1.690 CV     1
 OR {  222}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  222}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  222}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  223}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HE2 ))
      2.900     1.000     1.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.29396E-02 ppm1      1.268 ppm2      2.881 CV     1
 OR {  223}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HE2 ))
 OR {  223}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HE3 ))
 OR {  223}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HE3 ))
 ASSI {  224}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     5.500     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.28738E-04 ppm1      1.268 ppm2      5.229 CV     1
 OR {  224}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  225}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.000     1.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.23184E-02 ppm1      1.268 ppm2      7.667 CV     1
 OR {  225}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  230}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.900     1.000     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.16128E-02 ppm1      4.065 ppm2      7.393 CV     1
 ASSI {  231}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.400     1.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.37823E-03 ppm1      1.854 ppm2      7.393 CV     1
 ASSI {  232}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.17617E-02 ppm1      1.854 ppm2      4.068 CV     1
 ASSI {  233}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.600     0.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.42353E-02 ppm1      0.827 ppm2      7.393 CV     1
 OR {  233}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  234}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 4    and name HA  ))
      3.500     1.500     1.500 peak   234 spectrum    1 weight  0.10000E+01 volume  0.14605E-02 ppm1      0.823 ppm2      4.068 CV     1
 OR {  234}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  235}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 4    and name HB  ))
      2.000     0.500     0.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.12395E-01 ppm1      0.824 ppm2      1.857 CV     1
 OR {  235}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 4    and name HB  ))
 ASSI {  236}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      5.900     4.400     0.100 peak   236 spectrum    1 weight  0.10000E+01 volume  0.17353E-03 ppm1      0.751 ppm2      7.393 CV     1
 ASSI {  237}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      6.000     6.000     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.31854E-05 ppm1      0.751 ppm2      4.068 CV     1
 ASSI {  238}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB  ))
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.36930E-02 ppm1      0.751 ppm2      1.857 CV     1
 ASSI {  239}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG12))
      3.700     3.700     2.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.37082E-03 ppm1      0.751 ppm2      0.827 CV     1
 OR {  239}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG13))
 ASSI {  240}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.300     1.300 peak   240 spectrum    1 weight  0.10000E+01 volume  0.13185E-02 ppm1      4.380 ppm2      7.319 CV     1
 ASSI {  241}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.17091E-02 ppm1      2.029 ppm2      7.319 CV     1
 OR {  241}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  242}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     6.000     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.63016E-05 ppm1      2.030 ppm2      4.383 CV     1
 OR {  242}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  243}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   243 spectrum    1 weight  0.10000E+01 volume  0.14057E-02 ppm1      1.775 ppm2      7.319 CV     1
 ASSI {  244}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      4.100     2.100     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.33578E-03 ppm1      1.775 ppm2      4.383 CV     1
 ASSI {  245}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG3 ))
      2.500     0.800     0.800 peak   245 spectrum    1 weight  0.10000E+01 volume  0.68050E-02 ppm1      1.775 ppm2      2.033 CV     1
 OR {  245}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  246}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   246 spectrum    1 weight  0.10000E+01 volume  0.23565E-02 ppm1      1.558 ppm2      7.319 CV     1
 ASSI {  247}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     5.900     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.14957E-04 ppm1      1.558 ppm2      4.383 CV     1
 ASSI {  248}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HG2 ))
      2.400     0.700     0.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.73612E-02 ppm1      1.558 ppm2      2.033 CV     1
 OR {  248}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI {  249}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.800     0.400     0.400 peak   249 spectrum    1 weight  0.10000E+01 volume  0.18676E-01 ppm1      1.558 ppm2      1.778 CV     1
 ASSI {  250}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.25407E-02 ppm1      4.023 ppm2      7.104 CV     1
 ASSI {  251}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.000     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.32207E-02 ppm1      1.750 ppm2      7.104 CV     1
 ASSI {  252}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      2.300     0.700     0.700 peak   252 spectrum    1 weight  0.10000E+01 volume  0.79219E-02 ppm1      4.023 ppm2      1.753 CV     1
 ASSI {  253}
   (  segid "    " and resid 12   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   253 spectrum    1 weight  0.10000E+01 volume  0.24375E-02 ppm1      0.680 ppm2      7.104 CV     1
 OR {  253}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  254}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      4.000     2.000     2.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.44817E-03 ppm1      0.680 ppm2      4.023 CV     1
 OR {  254}
   (  segid "    " and resid 12   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  255}
   (  segid "    " and resid 12   and name HG1%)
   (( segid "    " and resid 12   and name HB  ))
      1.900     0.500     0.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.28987E-01 ppm1      0.680 ppm2      1.753 CV     1
 OR {  255}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HB  ))
 ASSI {  256}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.300     1.300 peak   256 spectrum    1 weight  0.10000E+01 volume  0.10671E-02 ppm1      1.335 ppm2      3.578 CV     1
 ASSI {  257}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.34818E-02 ppm1      1.142 ppm2      3.578 CV     1
 ASSI {  258}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.600     0.300     0.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.23212E-01 ppm1      1.142 ppm2      1.335 CV     1
 ASSI {  259}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.300     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.49069E-02 ppm1      0.740 ppm2      3.578 CV     1
 ASSI {  260}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      3.800     1.800     1.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.34070E-03 ppm1      0.740 ppm2      1.335 CV     1
 ASSI {  261}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB3 ))
      3.400     1.400     1.400 peak   261 spectrum    1 weight  0.10000E+01 volume  0.22333E-02 ppm1      0.740 ppm2      1.144 CV     1
 ASSI {  262}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.24763E-02 ppm1      0.597 ppm2      3.578 CV     1
 ASSI {  263}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.70287E-02 ppm1      0.601 ppm2      1.335 CV     1
 ASSI {  264}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB3 ))
      2.400     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.55800E-02 ppm1      0.602 ppm2      1.145 CV     1
 ASSI {  265}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.601 ppm2      0.746 CV     1
 ASSI {  266}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD2%)
      2.100     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.11308E-01 ppm1      0.242 ppm2      0.604 CV     1
 ASSI {  267}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      2.300     0.600     0.600 peak   267 spectrum    1 weight  0.10000E+01 volume  0.75479E-02 ppm1      0.242 ppm2      0.746 CV     1
 ASSI {  269}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.500     0.800     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.49956E-02 ppm1      0.242 ppm2      1.145 CV     1
 ASSI {  270}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.75202E-03 ppm1      0.242 ppm2      3.578 CV     1
 ASSI {  273}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.062 ppm2      3.876 CV     1
 OR {  273}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  275}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.69387E-03 ppm1      1.683 ppm2      3.876 CV     1
 ASSI {  276}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HD2 ))
      3.900     1.900     1.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.46535E-03 ppm1      1.683 ppm2      3.065 CV     1
 OR {  276}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HD3 ))
 ASSI {  279}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HD2 ))
      2.800     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.42636E-02 ppm1      1.558 ppm2      3.065 CV     1
 OR {  279}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HD3 ))
 ASSI {  282}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     6.000     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.56783E-05 ppm1      1.453 ppm2      3.876 CV     1
 OR {  282}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  283}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HD3 ))
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.37103E-02 ppm1      1.453 ppm2      3.065 CV     1
 OR {  283}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HD2 ))
 OR {  283}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HD3 ))
 OR {  283}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HD2 ))
 ASSI {  286}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HD2 ))
      1.700     0.400     0.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.20622E-01 ppm1      3.350 ppm2      3.488 CV     1
 ASSI {  287}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HD2 ))
      5.600     3.900     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.10297E-03 ppm1      2.196 ppm2      3.488 CV     1
 ASSI {  288}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HD3 ))
      5.000     3.100     1.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.33149E-03 ppm1      2.196 ppm2      3.354 CV     1
 ASSI {  289}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HD2 ))
      2.500     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.36453E-02 ppm1      1.961 ppm2      3.487 CV     1
 ASSI {  290}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HD3 ))
      3.100     1.200     1.200 peak   290 spectrum    1 weight  0.10000E+01 volume  0.29431E-02 ppm1      1.961 ppm2      3.354 CV     1
 ASSI {  291}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HD3 ))
      2.600     0.800     0.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.29389E-02 ppm1      1.888 ppm2      3.354 CV     1
 ASSI {  292}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HD2 ))
      3.500     1.500     1.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.12984E-02 ppm1      1.888 ppm2      3.488 CV     1
 ASSI {  293}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.100     1.200     1.200 peak   293 spectrum    1 weight  0.10000E+01 volume  0.24735E-02 ppm1      1.890 ppm2      2.198 CV     1
 ASSI {  294}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.200     0.600     0.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.74514E-02 ppm1      1.960 ppm2      2.198 CV     1
 ASSI {  296}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HG3 ))
      3.800     1.800     1.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.28406E-03 ppm1      1.760 ppm2      1.892 CV     1
 ASSI {  297}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HG2 ))
      3.600     1.600     1.600 peak   297 spectrum    1 weight  0.10000E+01 volume  0.12264E-02 ppm1      1.761 ppm2      1.964 CV     1
 ASSI {  298}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
      1.700     0.300     0.500 peak   298 spectrum    1 weight  0.10000E+01 volume  0.24479E-01 ppm1      1.759 ppm2      2.198 CV     1
 ASSI {  299}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HD3 ))
      3.900     1.900     1.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.66215E-03 ppm1      1.759 ppm2      3.354 CV     1
 ASSI {  300}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HD2 ))
      3.900     1.900     1.900 peak   300 spectrum    1 weight  0.10000E+01 volume  0.12610E-02 ppm1      1.759 ppm2      3.488 CV     1
 ASSI {  301}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     5.100     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.41826E-04 ppm1      3.485 ppm2      3.888 CV     1
 ASSI {  302}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     6.000     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.42934E-05 ppm1      3.350 ppm2      3.888 CV     1
 ASSI {  303}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.30926E-02 ppm1      2.195 ppm2      3.887 CV     1
 ASSI {  304}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.960 ppm2      3.887 CV     1
 ASSI {  305}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HA  ))
      5.900     4.300     0.100 peak   305 spectrum    1 weight  0.10000E+01 volume  0.88708E-04 ppm1      1.888 ppm2      3.888 CV     1
 ASSI {  306}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.500     1.500 peak   306 spectrum    1 weight  0.10000E+01 volume  0.58951E-03 ppm1      1.759 ppm2      3.887 CV     1
 ASSI {  307}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HD2 ))
      2.200     0.600     0.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.38676E-02 ppm1      3.817 ppm2      4.093 CV     1
 ASSI {  308}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD2 ))
      6.000     6.000     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.27838E-04 ppm1      2.221 ppm2      4.093 CV     1
 OR {  308}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  309}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD3 ))
      3.100     1.200     1.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.26134E-02 ppm1      2.221 ppm2      3.820 CV     1
 OR {  309}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HD3 ))
 ASSI {  310}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB3 ))
      1.900     0.400     0.400 peak   310 spectrum    1 weight  0.10000E+01 volume  0.31813E-01 ppm1      2.023 ppm2      2.224 CV     1
 OR {  310}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  311}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD3 ))
      6.000     6.000     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.24652E-04 ppm1      2.023 ppm2      3.820 CV     1
 ASSI {  312}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      4.093 CV     1
 ASSI {  313}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HD2 ))
      6.000     6.000     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.41549E-05 ppm1      1.951 ppm2      4.093 CV     1
 ASSI {  314}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HD3 ))
      3.600     1.600     1.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.34638E-03 ppm1      1.951 ppm2      3.820 CV     1
 ASSI {  315}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.900     0.500     0.500 peak   315 spectrum    1 weight  0.10000E+01 volume  0.24417E-01 ppm1      1.951 ppm2      2.224 CV     1
 OR {  315}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HB3 ))
 ASSI {  316}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.900     2.900     3.100 peak   316 spectrum    1 weight  0.10000E+01 volume  0.78112E-03 ppm1      1.951 ppm2      2.026 CV     1
 ASSI {  324}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      3.700     1.800     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.16544E-02 ppm1      3.849 ppm2      7.030 CV     1
 ASSI {  326}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HD2 ))
      3.200     1.300     1.300 peak   326 spectrum    1 weight  0.10000E+01 volume  0.79773E-03 ppm1      3.386 ppm2      7.030 CV     1
 ASSI {  327}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      3.000     1.200     1.200 peak   327 spectrum    1 weight  0.10000E+01 volume  0.35815E-02 ppm1      2.940 ppm2      8.347 CV     1
 ASSI {  328}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      4.500     2.500     1.500 peak   328 spectrum    1 weight  0.10000E+01 volume  0.16682E-03 ppm1      2.941 ppm2      4.500 CV     1
 ASSI {  329}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HB2 ))
      1.700     0.300     0.500 peak   329 spectrum    1 weight  0.10000E+01 volume  0.31134E-01 ppm1      2.657 ppm2      2.944 CV     1
 ASSI {  330}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.200     0.600     0.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.89673E-02 ppm1      4.002 ppm2      8.347 CV     1
 ASSI {  331}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 2    and name HN  ))
      3.500     1.500     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.32976E-02 ppm1      1.419 ppm2      8.347 CV     1
 ASSI {  332}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.100     0.500     0.500 peak   332 spectrum    1 weight  0.10000E+01 volume  0.12277E-01 ppm1      4.500 ppm2      8.891 CV     1
 ASSI {  333}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     1.400     1.400 peak   333 spectrum    1 weight  0.10000E+01 volume  0.11239E-02 ppm1      2.940 ppm2      8.891 CV     1
 ASSI {  334}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     1.400     1.400 peak   334 spectrum    1 weight  0.10000E+01 volume  0.33973E-02 ppm1      2.659 ppm2      8.891 CV     1
 ASSI {  335}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak   335 spectrum    1 weight  0.10000E+01 volume  0.35573E-02 ppm1      3.771 ppm2      7.393 CV     1
 ASSI {  336}
   (( segid "    " and resid 3    and name HA1 ))
   (( segid "    " and resid 4    and name HN  ))
      1.900     0.400     0.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.12354E-01 ppm1      4.179 ppm2      7.393 CV     1
 ASSI {  337}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      2.200     2.200     3.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.11274E-01 ppm1      0.991 ppm2      7.393 CV     1
 ASSI {  338}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      6.000     6.000     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.18697E-05 ppm1      0.991 ppm2      4.068 CV     1
 ASSI {  339}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HB  ))
      2.500     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.43225E-02 ppm1      0.991 ppm2      1.858 CV     1
 ASSI {  340}
   (( segid "    " and resid 4    and name HG12))
   (  segid "    " and resid 4    and name HG2%)
      3.500     1.500     1.500 peak   340 spectrum    1 weight  0.10000E+01 volume  0.97572E-03 ppm1      0.824 ppm2      0.994 CV     1
 OR {  340}
   (( segid "    " and resid 4    and name HG13))
   (  segid "    " and resid 4    and name HG2%)
 ASSI {  341}
   (  segid "    " and resid 4    and name HD1%)
   (  segid "    " and resid 4    and name HG2%)
      1.800     0.400     0.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.33696E-01 ppm1      0.751 ppm2      0.994 CV     1
 ASSI {  342}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.40108E-02 ppm1      3.578 ppm2      7.840 CV     1
 ASSI {  343}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.66042E-02 ppm1      1.335 ppm2      7.840 CV     1
 ASSI {  344}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
      2.000     0.500     0.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.98609E-02 ppm1      1.142 ppm2      7.840 CV     1
 ASSI {  345}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.68099E-03 ppm1      0.751 ppm2      7.840 CV     1
 ASSI {  346}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      2.500     0.800     0.800 peak   346 spectrum    1 weight  0.10000E+01 volume  0.43737E-02 ppm1      0.596 ppm2      7.840 CV     1
 ASSI {  347}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      5.900     4.300     0.100 peak   347 spectrum    1 weight  0.10000E+01 volume  0.20844E-04 ppm1      0.242 ppm2      7.840 CV     1
 ASSI {  351}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.300     0.700     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.67475E-02 ppm1      4.065 ppm2      7.840 CV     1
 ASSI {  352}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      1.800     0.400     0.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.15290E-01 ppm1      1.854 ppm2      7.840 CV     1
 ASSI {  353}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.11162E-02 ppm1      0.991 ppm2      7.840 CV     1
 ASSI {  354}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak   354 spectrum    1 weight  0.10000E+01 volume  0.16405E-02 ppm1      0.828 ppm2      7.840 CV     1
 OR {  354}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  355}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.100     0.500     0.500 peak   355 spectrum    1 weight  0.10000E+01 volume  0.14431E-01 ppm1      4.222 ppm2      8.637 CV     1
 ASSI {  356}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11274E-02 ppm1      1.426 ppm2      8.637 CV     1
 OR {  356}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  357}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.800     2.900     1.200 peak   357 spectrum    1 weight  0.10000E+01 volume  0.15027E-03 ppm1      1.217 ppm2      8.637 CV     1
 ASSI {  358}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.200     1.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.26979E-03 ppm1      1.040 ppm2      8.637 CV     1
 ASSI {  359}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.21162E-02 ppm1      8.199 ppm2      8.637 CV     1
 ASSI {  360}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.13219E-02 ppm1      3.806 ppm2      7.668 CV     1
 ASSI {  361}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak   361 spectrum    1 weight  0.10000E+01 volume  0.16578E-02 ppm1      4.017 ppm2      7.668 CV     1
 ASSI {  362}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HN  ))
      4.400     2.400     1.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.56922E-03 ppm1      1.682 ppm2      7.667 CV     1
 ASSI {  364}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     6.000     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.25761E-04 ppm1      1.683 ppm2      5.227 CV     1
 ASSI {  365}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HE2 ))
      3.100     1.200     1.200 peak   365 spectrum    1 weight  0.10000E+01 volume  0.15082E-02 ppm1      1.681 ppm2      2.882 CV     1
 OR {  365}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HE3 ))
 ASSI {  366}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.000     0.500     0.500 peak   366 spectrum    1 weight  0.10000E+01 volume  0.75621E-02 ppm1      1.353 ppm2      1.686 CV     1
 ASSI {  367}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.100     0.500     0.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.16800E-01 ppm1      1.268 ppm2      1.686 CV     1
 OR {  367}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HD2 ))
 ASSI {  368}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.000     0.500     0.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.12513E-01 ppm1      5.226 ppm2      8.533 CV     1
 ASSI {  369}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   369 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      1.688 ppm2      8.533 CV     1
 OR {  369}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  370}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.200     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.33309E-02 ppm1      1.268 ppm2      8.533 CV     1
 OR {  370}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  371}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 29   and name HN  ))
      5.200     3.400     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.31321E-03 ppm1      1.353 ppm2      8.533 CV     1
 ASSI {  372}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      1.900     0.400     0.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.19507E-01 ppm1      4.877 ppm2      8.934 CV     1
 ASSI {  373}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.77629E-03 ppm1      2.336 ppm2      8.934 CV     1
 ASSI {  374}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.70010E-03 ppm1      1.556 ppm2      8.934 CV     1
 ASSI {  376}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.000     0.500     0.500 peak   376 spectrum    1 weight  0.10000E+01 volume  0.16924E-01 ppm1      3.976 ppm2      7.104 CV     1
 ASSI {  377}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      4.400     2.500     1.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.70218E-03 ppm1      2.655 ppm2      7.104 CV     1
 OR {  377}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  378}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   378 spectrum    1 weight  0.10000E+01 volume  0.21668E-02 ppm1      3.350 ppm2      4.023 CV     1
 ASSI {  379}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   379 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      3.485 ppm2      4.023 CV     1
 ASSI {  380}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.000     2.000     4.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.19860E-01 ppm1      3.578 ppm2      9.442 CV     1
 ASSI {  381}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      4.519 CV     1
 ASSI {  382}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.817 ppm2      4.519 CV     1
 ASSI {  384}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      4.519 CV     1
 ASSI {  385}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.951 ppm2      4.519 CV     1
 ASSI {  386}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.221 ppm2      4.519 CV     1
 OR {  386}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  387}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      1.800     1.800     4.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.33918E-01 ppm1      2.582 ppm2      2.902 CV     1
 OR {  387}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  388}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.37650E-02 ppm1      2.899 ppm2      9.507 CV     1
 ASSI {  389}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.77416E-03 ppm1      2.582 ppm2      9.507 CV     1
 OR {  389}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  390}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      5.000     3.100     1.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.27789E-03 ppm1      7.921 ppm2      9.507 CV     1
 ASSI {  391}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.41535E-02 ppm1      1.683 ppm2      7.967 CV     1
 ASSI {  392}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      4.100     2.100     1.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.45607E-03 ppm1      1.453 ppm2      7.967 CV     1
 OR {  392}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  393}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak   393 spectrum    1 weight  0.10000E+01 volume  0.85039E-02 ppm1      3.219 ppm2      7.967 CV     1
 ASSI {  394}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.23641E-02 ppm1      2.377 ppm2      7.967 CV     1
 ASSI {  395}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.000     0.500     0.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.19175E-01 ppm1      4.294 ppm2      7.967 CV     1
 ASSI {  396}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      5.200     3.400     0.800 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28475E-03 ppm1      7.964 ppm2      9.507 CV     1
 ASSI {  397}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HN  ))
      5.400     3.700     0.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.10720E-03 ppm1      3.062 ppm2      7.967 CV     1
 OR {  397}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  398}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      1.900     0.400     0.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.20449E-01 ppm1      3.873 ppm2      8.694 CV     1
 ASSI {  399}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     6.000     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.69941E-05 ppm1      1.683 ppm2      8.695 CV     1
 ASSI {  400}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak   400 spectrum    1 weight  0.10000E+01 volume  0.18184E-02 ppm1      1.558 ppm2      8.694 CV     1
 ASSI {  401}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      4.200     2.200     1.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.56257E-03 ppm1      1.453 ppm2      8.694 CV     1
 OR {  401}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  402}
   (( segid "    " and resid 21   and name HA2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak   402 spectrum    1 weight  0.10000E+01 volume  0.14417E-02 ppm1      3.497 ppm2      8.148 CV     1
 ASSI {  403}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   403 spectrum    1 weight  0.10000E+01 volume  0.30268E-02 ppm1      4.160 ppm2      8.147 CV     1
 ASSI {  404}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.50966E-02 ppm1      8.145 ppm2      8.695 CV     1
 ASSI {  405}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.100     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.10768E-01 ppm1      5.028 ppm2      9.398 CV     1
 ASSI {  406}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.20719E-02 ppm1      2.036 ppm2      9.399 CV     1
 ASSI {  407}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      5.000     3.200     1.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.33717E-03 ppm1      1.157 ppm2      9.398 CV     1
 ASSI {  408}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.61582E-02 ppm1      0.904 ppm2      9.398 CV     1
 ASSI {  409}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      5.000     3.100     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.36909E-03 ppm1      0.603 ppm2      9.398 CV     1
 ASSI {  410}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      4.100     2.100     1.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.10117E-02 ppm1      0.471 ppm2      9.398 CV     1
 ASSI {  411}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.300     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.53529E-04 ppm1      8.148 ppm2      9.399 CV     1
 ASSI {  412}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.100     0.600     0.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.11302E-01 ppm1      4.461 ppm2      9.125 CV     1
 ASSI {  413}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.13101E-02 ppm1      2.054 ppm2      9.125 CV     1
 OR {  413}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  414}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.15781E-02 ppm1      1.774 ppm2      9.125 CV     1
 ASSI {  415}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.11585E-02 ppm1      1.704 ppm2      9.125 CV     1
 ASSI {  416}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak   416 spectrum    1 weight  0.10000E+01 volume  0.19016E-02 ppm1      3.849 ppm2      8.600 CV     1
 ASSI {  417}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.500     2.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.47005E-03 ppm1      3.767 ppm2      8.600 CV     1
 ASSI {  418}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HD2 ))
      3.800     1.800     1.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.12804E-02 ppm1      3.766 ppm2      7.030 CV     1
 ASSI {  419}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HD21))
      2.600     0.900     0.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.35580E-02 ppm1      2.525 ppm2      7.562 CV     1
 ASSI {  420}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD21))
      3.100     1.200     1.200 peak   420 spectrum    1 weight  0.10000E+01 volume  0.14896E-02 ppm1      2.651 ppm2      7.562 CV     1
 ASSI {  422}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD21))
      2.600     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.42595E-02 ppm1      2.734 ppm2      7.449 CV     1
 ASSI {  423}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD21))
      2.500     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.39859E-02 ppm1      2.959 ppm2      7.449 CV     1
 ASSI {  425}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.800     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26425E-03 ppm1      1.558 ppm2      8.595 CV     1
 ASSI {  426}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.15754E-02 ppm1      1.773 ppm2      8.594 CV     1
 ASSI {  427}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.36529E-03 ppm1      2.031 ppm2      8.594 CV     1
 ASSI {  428}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.89886E-02 ppm1      4.384 ppm2      8.594 CV     1
 ASSI {  429}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.800     2.900     1.200 peak   429 spectrum    1 weight  0.10000E+01 volume  0.46203E-03 ppm1      0.738 ppm2      7.841 CV     1
 ASSI {  431}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.100     1.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.89056E-03 ppm1      2.833 ppm2      8.443 CV     1
 OR {  431}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  432}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.000     0.500     0.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.16523E-01 ppm1      4.556 ppm2      8.443 CV     1
 ASSI {  433}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.500     1.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.99233E-03 ppm1      2.525 ppm2      8.247 CV     1
 ASSI {  434}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak   434 spectrum    1 weight  0.10000E+01 volume  0.31480E-02 ppm1      2.651 ppm2      8.247 CV     1
 ASSI {  435}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.000     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.16232E-01 ppm1      5.047 ppm2      8.247 CV     1
 ASSI {  436}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.22540E-02 ppm1      4.687 ppm2      8.247 CV     1
 ASSI {  437}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.000     0.500     0.500 peak   437 spectrum    1 weight  0.10000E+01 volume  0.19771E-01 ppm1      4.687 ppm2      8.070 CV     1
 ASSI {  438}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   438 spectrum    1 weight  0.10000E+01 volume  0.46196E-02 ppm1      2.579 ppm2      8.070 CV     1
 ASSI {  439}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.16703E-02 ppm1      3.075 ppm2      8.070 CV     1
 ASSI {  440}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.000     1.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.37512E-02 ppm1      0.732 ppm2      8.604 CV     1
 ASSI {  441}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.46771E-03 ppm1      0.844 ppm2      8.604 CV     1
 ASSI {  449}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.22153E-02 ppm1      2.194 ppm2      8.077 CV     1
 ASSI {  450}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.25047E-02 ppm1      7.316 ppm2      8.074 CV     1
 ASSI {  451}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.300     1.300 peak   451 spectrum    1 weight  0.10000E+01 volume  0.16606E-02 ppm1      3.950 ppm2      7.319 CV     1
 ASSI {  452}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.16218E-02 ppm1      1.300 ppm2      7.319 CV     1
 ASSI {  453}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      3.000     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.14999E-02 ppm1      4.987 ppm2      4.093 CV     1
 ASSI {  454}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
      2.500     0.800     0.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.34375E-02 ppm1      4.985 ppm2      3.820 CV     1
 ASSI {  455}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.14916E-02 ppm1      4.090 ppm2      7.923 CV     1
 ASSI {  456}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 18   and name HN  ))
      4.700     2.800     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.51285E-03 ppm1      3.817 ppm2      7.923 CV     1
 ASSI {  458}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     2.700     3.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.30940E-02 ppm1      7.667 ppm2      9.270 CV     1
 ASSI {  459}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.33482E-02 ppm1      8.934 ppm2      9.398 CV     1
 ASSI {  460}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.29182E-02 ppm1      7.664 ppm2      8.202 CV     1
 ASSI {  461}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      3.600     1.600     1.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.19382E-02 ppm1      1.426 ppm2      8.067 CV     1
 ASSI {  462}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak   462 spectrum    1 weight  0.10000E+01 volume  0.58757E-02 ppm1      1.557 ppm2      8.067 CV     1
 ASSI {  463}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      4.100     2.100     1.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.46688E-03 ppm1      3.701 ppm2      9.400 CV     1
 ASSI {  464}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.29209E-02 ppm1      5.023 ppm2      3.701 CV     1
 ASSI {  465}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.57047E-02 ppm1      5.027 ppm2      8.042 CV     1
 ASSI {  466}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      1.900     0.500     0.500 peak   466 spectrum    1 weight  0.10000E+01 volume  0.16211E-01 ppm1      3.701 ppm2      8.042 CV     1
 ASSI {  467}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   467 spectrum    1 weight  0.10000E+01 volume  0.54755E-02 ppm1      4.012 ppm2      8.107 CV     1
 ASSI {  468}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.45385E-02 ppm1      3.946 ppm2      8.722 CV     1
 ASSI {  469}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.800     0.800 peak   469 spectrum    1 weight  0.10000E+01 volume  0.43495E-02 ppm1      1.574 ppm2      8.042 CV     1
 ASSI {  470}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.64844E-03 ppm1      1.576 ppm2      8.107 CV     1
 ASSI {  471}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      4.800     2.900     1.200 peak   471 spectrum    1 weight  0.10000E+01 volume  0.31342E-03 ppm1      1.631 ppm2      8.107 CV     1
 ASSI {  472}
   (( segid "    " and resid 8    and name HD22))
   (( segid "    " and resid 8    and name HD21))
      1.500     0.300     0.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.53771E-01 ppm1      6.962 ppm2      7.562 CV     1
 ASSI {  473}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HD22))
      4.000     2.000     2.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.11918E-02 ppm1      2.525 ppm2      6.965 CV     1
 ASSI {  474}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD22))
      5.100     3.300     0.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.29742E-03 ppm1      2.651 ppm2      6.965 CV     1
 ASSI {  475}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak   475 spectrum    1 weight  0.10000E+01 volume  0.46272E-03 ppm1      1.335 ppm2      9.442 CV     1
 ASSI {  476}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      4.600     2.700     1.400 peak   476 spectrum    1 weight  0.10000E+01 volume  0.34008E-03 ppm1      1.142 ppm2      9.442 CV     1
 ASSI {  477}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.11717E-02 ppm1      0.596 ppm2      9.442 CV     1
 ASSI {  478}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.11204E-02 ppm1      0.242 ppm2      9.442 CV     1
 ASSI {  479}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   479 spectrum    1 weight  0.10000E+01 volume  0.37297E-02 ppm1      0.738 ppm2      9.442 CV     1
 ASSI {  480}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      4.000     2.000     2.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.13642E-02 ppm1      0.602 ppm2      4.068 CV     1
 ASSI {  481}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   481 spectrum    1 weight  0.10000E+01 volume  0.20657E-02 ppm1      0.601 ppm2      9.507 CV     1
 ASSI {  482}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.91405E-03 ppm1      3.578 ppm2      8.600 CV     1
 ASSI {  484}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HE1 ))
      4.100     2.100     1.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.10172E-02 ppm1      0.604 ppm2      8.579 CV     1
 ASSI {  485}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 6    and name HE1 ))
      5.200     3.300     0.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.30172E-03 ppm1      0.242 ppm2      8.579 CV     1
 ASSI {  486}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.57227E-03 ppm1      2.336 ppm2      8.600 CV     1
 ASSI {  487}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 6    and name HD2 ))
      2.900     1.100     1.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      0.242 ppm2      7.032 CV     1
 ASSI {  488}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HD2 ))
      3.700     1.700     1.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.74577E-03 ppm1      0.604 ppm2      7.032 CV     1
 ASSI {  489}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HD2 ))
      3.500     1.500     1.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.75621E-03 ppm1      0.738 ppm2      7.033 CV     1
 ASSI {  490}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 6    and name HD2 ))
      2.400     2.400     3.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.37678E-02 ppm1      0.850 ppm2      7.032 CV     1
 OR {  490}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 6    and name HD2 ))
 ASSI {  491}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     2.800     3.200 peak   491 spectrum    1 weight  0.10000E+01 volume  0.14985E-02 ppm1      2.944 ppm2      9.442 CV     1
 ASSI {  492}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 6    and name HN  ))
      3.500     3.500     2.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.35199E-03 ppm1      0.849 ppm2      9.442 CV     1
 OR {  492}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  493}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.29798E-03 ppm1      7.027 ppm2      9.442 CV     1
 ASSI {  494}
   (( segid "    " and resid 8    and name HD21))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.100     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.42622E-03 ppm1      7.559 ppm2      8.443 CV     1
 ASSI {  495}
   (( segid "    " and resid 8    and name HD22))
   (( segid "    " and resid 8    and name HN  ))
      6.000     6.000     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.58169E-05 ppm1      6.962 ppm2      8.443 CV     1
 ASSI {  496}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.23974E-02 ppm1      5.223 ppm2      8.247 CV     1
 ASSI {  497}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.700     2.800     1.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.29278E-03 ppm1      5.055 ppm2      8.533 CV     1
 ASSI {  498}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.20643E-03 ppm1      7.837 ppm2      9.442 CV     1
 ASSI {  500}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.500     3.500     2.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.68542E-03 ppm1      2.336 ppm2      9.442 CV     1
 ASSI {  504}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     2.400     3.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.10415E-01 ppm1      2.033 ppm2      2.899 CV     1
 ASSI {  505}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak   505 spectrum    1 weight  0.10000E+01 volume  0.28987E-02 ppm1      2.023 ppm2      2.585 CV     1
 OR {  505}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  506}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.600     3.600     2.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.36542E-02 ppm1      1.951 ppm2      2.585 CV     1
 OR {  506}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  507}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.600     1.600     1.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.20643E-02 ppm1      2.221 ppm2      2.585 CV     1
 OR {  507}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  507}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  508}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      4.200     2.200     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.47961E-03 ppm1      2.221 ppm2      7.924 CV     1
 OR {  508}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  509}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.600     1.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.69456E-03 ppm1      2.023 ppm2      7.924 CV     1
 ASSI {  510}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.13074E-02 ppm1      1.951 ppm2      7.924 CV     1
 ASSI {  511}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.500     1.500 peak   511 spectrum    1 weight  0.10000E+01 volume  0.12596E-02 ppm1      8.891 ppm2      9.507 CV     1
 ASSI {  512}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      4.000     2.000     2.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.33911E-03 ppm1      4.065 ppm2      9.507 CV     1
 ASSI {  513}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      4.400     2.400     1.600 peak   513 spectrum    1 weight  0.10000E+01 volume  0.48509E-03 ppm1      3.771 ppm2      9.507 CV     1
 ASSI {  514}
   (( segid "    " and resid 3    and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     6.000     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.10180E-04 ppm1      4.184 ppm2      9.507 CV     1
 ASSI {  515}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.93761E-03 ppm1      2.033 ppm2      9.507 CV     1
 ASSI {  516}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 19   and name HN  ))
      5.400     3.700     0.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17084E-03 ppm1      0.826 ppm2      9.507 CV     1
 OR {  516}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  517}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.36688E-03 ppm1      0.469 ppm2      7.840 CV     1
 ASSI {  518}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.600     0.300     0.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.30961E-01 ppm1      1.558 ppm2      1.686 CV     1
 ASSI {  519}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     0.900     0.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.41812E-02 ppm1      1.453 ppm2      1.686 CV     1
 OR {  519}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  520}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB3 ))
      1.700     0.400     0.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.50433E-01 ppm1      1.453 ppm2      1.561 CV     1
 OR {  520}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB3 ))
 ASSI {  521}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.300     2.400     1.700 peak   521 spectrum    1 weight  0.10000E+01 volume  0.37996E-03 ppm1      8.042 ppm2      9.394 CV     1
 ASSI {  523}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.52809E-03 ppm1      4.877 ppm2      9.270 CV     1
 ASSI {  524}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.300     2.300     1.700 peak   524 spectrum    1 weight  0.10000E+01 volume  0.30629E-03 ppm1      2.834 ppm2      8.533 CV     1
 OR {  524}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  525}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      5.400     3.700     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.95770E-04 ppm1      0.470 ppm2      8.934 CV     1
 ASSI {  527}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      5.600     4.000     0.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.15560E-03 ppm1      2.037 ppm2      8.934 CV     1
 ASSI {  528}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.83513E-03 ppm1      0.460 ppm2      8.067 CV     1
 ASSI {  529}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.11883E-02 ppm1      0.461 ppm2      8.042 CV     1
 ASSI {  530}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.64920E-03 ppm1      0.789 ppm2      8.721 CV     1
 OR {  530}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  531}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.22160E-02 ppm1      1.815 ppm2      3.701 CV     1
 ASSI {  533}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.31993E-02 ppm1      1.816 ppm2      8.067 CV     1
 ASSI {  534}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.10290E-01 ppm1      0.843 ppm2      8.067 CV     1
 OR {  534}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  535}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.58141E-02 ppm1      0.843 ppm2      3.701 CV     1
 OR {  535}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  536}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 31   and name HB  ))
      2.200     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.13718E-01 ppm1      0.842 ppm2      1.815 CV     1
 OR {  536}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HB  ))
 ASSI {  537}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.50780E-02 ppm1      0.466 ppm2      3.701 CV     1
 ASSI {  538}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.300     1.300 peak   538 spectrum    1 weight  0.10000E+01 volume  0.12340E-02 ppm1      0.466 ppm2      3.578 CV     1
 ASSI {  539}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      4.800     2.900     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.34118E-03 ppm1      2.938 ppm2      3.578 CV     1
 ASSI {  541}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 28   and name HN  ))
      4.000     2.000     2.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.17554E-03 ppm1      0.878 ppm2      7.661 CV     1
 ASSI {  546}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      5.700     4.100     0.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.81575E-04 ppm1      7.104 ppm2      9.122 CV     1
 ASSI {  547}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
      6.000     4.500     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.244 ppm2      1.335 CV     1
 ASSI {  549}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.39583E-03 ppm1      0.874 ppm2      9.271 CV     1
 ASSI {  550}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.17001E-02 ppm1      2.658 ppm2      9.507 CV     1
 ASSI {  553}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 19   and name HB3 ))
      2.900     1.100     1.100 peak   553 spectrum    1 weight  0.10000E+01 volume  0.51548E-02 ppm1      0.595 ppm2      2.380 CV     1
 ASSI {  557}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 19   and name HB2 ))
      3.600     1.600     1.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.57988E-03 ppm1      0.597 ppm2      3.224 CV     1
 ASSI {  559}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
      3.900     1.900     1.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.88985E-03 ppm1      0.896 ppm2      2.588 CV     1
 OR {  559}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  572}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      5.100     3.300     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.18088E-03 ppm1      4.878 ppm2      9.401 CV     1
 ASSI {  584}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.600     2.700     1.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.33613E-03 ppm1      7.099 ppm2      8.600 CV     1
 ASSI {  585}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HE1 ))
      4.500     2.500     1.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.37277E-03 ppm1      7.029 ppm2      8.581 CV     1
 ASSI {  586}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      5.200     3.400     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.21148E-03 ppm1      7.384 ppm2      8.596 CV     1
 ASSI {  588}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.21793E-02 ppm1      2.836 ppm2      7.394 CV     1
 OR {  588}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  591}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 28   and name HG3 ))
      3.200     1.300     1.300 peak   591 spectrum    1 weight  0.10000E+01 volume  0.98055E-03 ppm1      0.865 ppm2      1.270 CV     1
 OR {  591}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  592}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD22))
      4.200     2.200     1.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.95770E-03 ppm1      2.735 ppm2      7.128 CV     1
 ASSI {  593}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD22))
      4.000     2.000     2.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.12146E-02 ppm1      2.961 ppm2      7.128 CV     1
 ASSI {  596}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HD21))
      1.600     0.300     0.600 peak   596 spectrum    1 weight  0.10000E+01 volume  0.41355E-01 ppm1      7.125 ppm2      7.450 CV     1
 ASSI {  597}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.38253E-02 ppm1      4.989 ppm2      2.964 CV     1
 ASSI {  598}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.600     0.800     0.800 peak   598 spectrum    1 weight  0.10000E+01 volume  0.62628E-02 ppm1      4.988 ppm2      2.737 CV     1
 ASSI {  599}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HD21))
      3.900     1.900     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.66291E-03 ppm1      4.452 ppm2      7.450 CV     1
 ASSI {  600}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      2.800     2.800     3.200 peak   600 spectrum    1 weight  0.10000E+01 volume  0.30082E-02 ppm1      4.452 ppm2      7.129 CV     1
 ASSI {  601}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 16   and name HD22))
      3.700     1.700     1.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.57469E-03 ppm1      2.582 ppm2      7.129 CV     1
 OR {  601}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 16   and name HD22))
 ASSI {  606}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HB  ))
      4.500     2.600     1.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.21148E-03 ppm1      0.595 ppm2      1.860 CV     1
 ASSI {  611}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.700     0.300     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.29874E-01 ppm1      2.590 ppm2      3.079 CV     1
 ASSI {  612}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 15   and name HG3 ))
      5.300     3.500     0.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.10796E-03 ppm1      1.302 ppm2      2.033 CV     1
 OR {  612}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  613}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HE1 ))
      5.000     3.100     1.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.38343E-03 ppm1      0.738 ppm2      8.581 CV     1
 ASSI {  615}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 6    and name HE1 ))
      4.500     2.500     1.500 peak   615 spectrum    1 weight  0.10000E+01 volume  0.81093E-04 ppm1      2.832 ppm2      8.581 CV     1
 ASSI {  623}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
      3.500     1.500     1.500 peak   623 spectrum    1 weight  0.10000E+01 volume  0.40289E-03 ppm1      5.050 ppm2      5.220 CV     1
 ASSI {  624}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      8.532 CV     1
 ASSI {  626}
   (  segid "    " and resid 30   and name HD2%)
   (  segid "    " and resid 30   and name HD1%)
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.426 ppm2      1.556 CV     1
 ASSI {  627}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.872 ppm2      1.626 CV     1
 OR {  627}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 30   and name HB3 ))
 ASSI {  628}
   (( segid "    " and resid 30   and name HG  ))
   (  segid "    " and resid 30   and name HD1%)
      6.000     4.500     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.872 ppm2      1.556 CV     1
 ASSI {  629}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak   629 spectrum    1 weight  0.10000E+01 volume  0.17832E-02 ppm1      1.817 ppm2      8.043 CV     1
 ASSI {  631}
   (  segid "    " and resid 31   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.32595E-02 ppm1      0.843 ppm2      8.043 CV     1
 OR {  631}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  636}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   636 spectrum    1 weight  0.10000E+01 volume  0.33488E-03 ppm1      1.629 ppm2      4.013 CV     1
 ASSI {  637}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      5.100     3.200     0.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.10539E-03 ppm1      1.575 ppm2      4.013 CV     1
 ASSI {  638}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.427 ppm2      1.627 CV     1
 OR {  638}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 ASSI {  639}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   639 spectrum    1 weight  0.10000E+01 volume  0.16107E-02 ppm1      4.728 ppm2      9.120 CV     1
 ASSI {  640}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.75550E-02 ppm1      4.729 ppm2      9.270 CV     1
 ASSI {  645}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.600     3.600     2.400 peak   645 spectrum    1 weight  0.10000E+01 volume  0.33565E-03 ppm1      4.693 ppm2      9.442 CV     1
 ASSI {  646}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak   646 spectrum    1 weight  0.10000E+01 volume  0.55399E-03 ppm1      2.338 ppm2      3.578 CV     1
 ASSI {  647}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.28073E-02 ppm1      8.593 ppm2      9.441 CV     1
 ASSI {  650}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      5.500     3.700     0.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.70287E-04 ppm1      2.970 ppm2      7.921 CV     1
 ASSI {  651}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HD21))
      5.400     3.700     0.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.78183E-04 ppm1      3.871 ppm2      7.449 CV     1
 ASSI {  654}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 12   and name HG1%)
      5.100     3.300     0.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.10976E-03 ppm1      8.068 ppm2      0.681 CV     1
 OR {  654}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT1      ALA   1   1.620   3.682 -12.354
    2   2H    ALA   1           HT2      ALA   1  -0.061   3.864 -12.153
    3   3H    ALA   1           HT3      ALA   1   0.545   3.020 -13.481
    4    HA   ALA   1           HA       ALA   1  -0.325   1.479 -11.887
    5   1HB   ALA   1          HB1       ALA   1   2.701   1.391 -12.052
    6   2HB   ALA   1          HB2       ALA   1   1.568   0.822 -13.273
    7   3HB   ALA   1          HB3       ALA   1   1.631   0.018 -11.708
    8    H    CYS   2           HN       CYS   2  -1.067   2.925 -10.242
    9    HA   CYS   2           HA       CYS   2   0.617   3.338  -7.921
   10   1HB   CYS   2          HB2       CYS   2  -1.415   4.242  -6.895
   11   2HB   CYS   2          HB1       CYS   2  -1.093   4.961  -8.422
   12    H    GLY   3           HN       GLY   3   0.798   2.091  -6.236
   13   1HA   GLY   3          HA2       GLY   3   0.290  -0.540  -6.129
   14   2HA   GLY   3          HA1       GLY   3   0.482   0.451  -4.708
   15    H    ILE   4           HN       ILE   4  -1.381  -1.780  -5.814
   16    HA   ILE   4           HA       ILE   4  -3.971  -0.633  -5.051
   17    HB   ILE   4           HB       ILE   4  -4.998  -2.496  -6.318
   18   1HG1  ILE   4          HG12      ILE   4  -2.178  -3.017  -7.267
   19   2HG1  ILE   4          HG11      ILE   4  -3.040  -4.093  -6.160
   20   1HG2  ILE   4          HG21      ILE   4  -3.127  -0.869  -8.023
   21   2HG2  ILE   4          HG22      ILE   4  -4.611  -0.251  -7.291
   22   3HG2  ILE   4          HG23      ILE   4  -4.692  -1.562  -8.455
   23   1HD1  ILE   4          HD11      ILE   4  -3.693  -3.465  -9.026
   24   2HD1  ILE   4          HD12      ILE   4  -4.719  -4.433  -7.953
   25   3HD1  ILE   4          HD13      ILE   4  -3.087  -4.969  -8.340
   26    H    LEU   5           HN       LEU   5  -5.488  -2.332  -4.391
   27    HA   LEU   5           HA       LEU   5  -5.046  -2.804  -1.763
   28   1HB   LEU   5          HB2       LEU   5  -7.125  -4.026  -1.720
   29   2HB   LEU   5          HB1       LEU   5  -7.235  -2.648  -2.800
   30    HG   LEU   5           HG       LEU   5  -6.766  -5.448  -3.834
   31   1HD1  LEU   5          HD11      LEU   5  -8.853  -5.421  -2.578
   32   2HD1  LEU   5          HD12      LEU   5  -9.101  -5.581  -4.312
   33   3HD1  LEU   5          HD13      LEU   5  -9.397  -4.028  -3.532
   34   1HD2  LEU   5          HD21      LEU   5  -7.838  -4.359  -5.872
   35   2HD2  LEU   5          HD22      LEU   5  -6.186  -3.928  -5.506
   36   3HD2  LEU   5          HD23      LEU   5  -7.496  -2.808  -5.104
   37    H    HIS   6           HN       HIS   6  -3.977  -4.820  -4.313
   38    HA   HIS   6           HA       HIS   6  -2.825  -6.647  -2.309
   39   1HB   HIS   6          HB2       HIS   6  -3.454  -8.615  -3.678
   40   2HB   HIS   6          HB1       HIS   6  -4.851  -7.763  -3.046
   41    HD1  HIS   6           HD1      HIS   6  -2.959  -8.196  -6.313
   42    HD2  HIS   6           HD2      HIS   6  -6.699  -7.086  -4.906
   43    HE1  HIS   6           HE1      HIS   6  -4.398  -7.918  -8.346
   44    HE2  HIS   6           HE2      HIS   6  -6.666  -7.282  -7.465
   45    H    ASP   7           HN       ASP   7  -1.639  -4.535  -3.540
   46    HA   ASP   7           HA       ASP   7   0.191  -5.901  -5.452
   47   1HB   ASP   7          HB2       ASP   7  -0.893  -3.743  -6.125
   48   2HB   ASP   7          HB1       ASP   7   0.055  -2.900  -4.938
   49    H    ASN   8           HN       ASN   8   1.940  -6.581  -4.700
   50    HA   ASN   8           HA       ASN   8   2.738  -6.503  -2.067
   51   1HB   ASN   8          HB2       ASN   8   4.867  -7.458  -2.777
   52   2HB   ASN   8          HB1       ASN   8   3.528  -8.159  -3.673
   53   1HD2  ASN   8          HD21      ASN   8   3.278  -7.697  -5.888
   54   2HD2  ASN   8          HD22      ASN   8   4.568  -6.988  -6.787
   55    H    CYS   9           HN       CYS   9   3.832  -5.173  -0.826
   56    HA   CYS   9           HA       CYS   9   5.477  -3.025  -1.782
   57   1HB   CYS   9          HB2       CYS   9   3.160  -2.184  -2.267
   58   2HB   CYS   9          HB1       CYS   9   2.777  -2.302  -0.556
   59    H    VAL  10           HN       VAL  10   6.154  -1.617  -0.073
   60    HA   VAL  10           HA       VAL  10   6.105  -2.889   2.621
   61    HB   VAL  10           HB       VAL  10   8.340  -1.837   2.964
   62   1HG1  VAL  10          HG11      VAL  10   8.170  -4.190   2.303
   63   2HG1  VAL  10          HG12      VAL  10   9.609  -3.412   1.655
   64   3HG1  VAL  10          HG13      VAL  10   8.233  -3.716   0.596
   65   1HG2  VAL  10          HG21      VAL  10   9.592  -1.096   0.965
   66   2HG2  VAL  10          HG22      VAL  10   8.277  -0.017   1.358
   67   3HG2  VAL  10          HG23      VAL  10   8.121  -1.152   0.011
   68    H    TYR  11           HN       TYR  11   6.279  -1.524   4.374
   69    HA   TYR  11           HA       TYR  11   4.343   0.617   4.152
   70   1HB   TYR  11          HB2       TYR  11   4.334  -0.912   6.043
   71   2HB   TYR  11          HB1       TYR  11   5.935  -0.389   6.519
   72    HD1  TYR  11           HD1      TYR  11   6.163   1.379   8.073
   73    HD2  TYR  11           HD2      TYR  11   2.475   0.930   5.971
   74    HE1  TYR  11           HE1      TYR  11   5.149   3.134   9.445
   75    HE2  TYR  11           HE2      TYR  11   1.463   2.655   7.351
   76    HH   TYR  11           HH       TYR  11   2.048   3.605   9.876
   77    H    VAL  12           HN       VAL  12   5.593   1.848   2.655
   78    HA   VAL  12           HA       VAL  12   7.257   3.839   4.117
   79    HB   VAL  12           HB       VAL  12   8.440   4.306   1.957
   80   1HG1  VAL  12          HG11      VAL  12   9.510   3.048   3.768
   81   2HG1  VAL  12          HG12      VAL  12  10.024   2.504   2.175
   82   3HG1  VAL  12          HG13      VAL  12   8.872   1.537   3.095
   83   1HG2  VAL  12          HG21      VAL  12   7.012   3.293   0.307
   84   2HG2  VAL  12          HG22      VAL  12   7.104   1.728   1.099
   85   3HG2  VAL  12          HG23      VAL  12   8.520   2.405   0.327
   86    HA   PRO  13           HA       PRO  13   3.318   5.649   2.589
   87   1HB   PRO  13          HB2       PRO  13   3.653   7.297   5.032
   88   2HB   PRO  13          HB1       PRO  13   2.304   6.289   4.499
   89   1HG   PRO  13          HG2       PRO  13   3.893   5.599   6.544
   90   2HG   PRO  13          HG1       PRO  13   3.163   4.388   5.472
   91   1HD   PRO  13          HD2       PRO  13   5.966   5.476   5.501
   92   2HD   PRO  13          HD1       PRO  13   5.356   3.833   5.301
   93    H    ALA  14           HN       ALA  14   6.265   7.048   3.820
   94    HA   ALA  14           HA       ALA  14   5.992   9.713   3.242
   95   1HB   ALA  14          HB1       ALA  14   8.434   9.800   3.198
   96   2HB   ALA  14          HB2       ALA  14   8.507   8.038   2.999
   97   3HB   ALA  14          HB3       ALA  14   7.848   8.737   4.473
   98    H    GLN  15           HN       GLN  15   6.813   7.048   1.149
   99    HA   GLN  15           HA       GLN  15   6.300   8.791  -1.187
  100   1HB   GLN  15          HB2       GLN  15   8.769   8.307  -0.834
  101   2HB   GLN  15          HB1       GLN  15   8.425   6.596  -1.014
  102   1HG   GLN  15          HG2       GLN  15   9.292   7.570  -3.056
  103   2HG   GLN  15          HG1       GLN  15   7.674   6.946  -3.317
  104   1HE2  GLN  15          HE21      GLN  15   7.321   8.263  -5.118
  105   2HE2  GLN  15          HE22      GLN  15   7.111   9.970  -4.960
  106    H    ASN  16           HN       ASN  16   4.311   7.723  -0.183
  107    HA   ASN  16           HA       ASN  16   3.650   5.064  -0.615
  108   1HB   ASN  16          HB2       ASN  16   2.256   6.652   0.629
  109   2HB   ASN  16          HB1       ASN  16   1.800   7.470  -0.859
  110   1HD2  ASN  16          HD21      ASN  16   1.176   4.832   1.254
  111   2HD2  ASN  16          HD22      ASN  16  -0.083   4.123   0.309
  112    HA   PRO  17           HA       PRO  17   3.686   5.129  -5.135
  113   1HB   PRO  17          HB2       PRO  17   3.997   2.507  -5.456
  114   2HB   PRO  17          HB1       PRO  17   5.274   3.478  -4.715
  115   1HG   PRO  17          HG2       PRO  17   3.217   1.758  -3.346
  116   2HG   PRO  17          HG1       PRO  17   4.970   1.845  -3.089
  117   1HD   PRO  17          HD2       PRO  17   3.127   3.181  -1.566
  118   2HD   PRO  17          HD1       PRO  17   4.831   3.665  -1.761
  119    H    CYS  18           HN       CYS  18   1.370   4.200  -2.971
  120    HA   CYS  18           HA       CYS  18  -0.286   2.616  -4.679
  121   1HB   CYS  18          HB2       CYS  18  -0.614   3.509  -1.839
  122   2HB   CYS  18          HB1       CYS  18  -1.740   2.505  -2.711
  123    H    CYS  19           HN       CYS  19  -2.517   2.980  -4.773
  124    HA   CYS  19           HA       CYS  19  -3.159   5.616  -5.787
  125   1HB   CYS  19          HB2       CYS  19  -5.234   3.525  -5.109
  126   2HB   CYS  19          HB1       CYS  19  -5.178   4.682  -6.440
  127    H    ARG  20           HN       ARG  20  -4.055   7.224  -4.749
  128    HA   ARG  20           HA       ARG  20  -3.804   7.432  -1.999
  129   1HB   ARG  20          HB2       ARG  20  -3.830   9.384  -3.424
  130   2HB   ARG  20          HB1       ARG  20  -5.494   9.096  -3.903
  131   1HG   ARG  20          HG2       ARG  20  -5.091  10.914  -2.202
  132   2HG   ARG  20          HG1       ARG  20  -6.331   9.740  -1.786
  133   1HD   ARG  20          HD2       ARG  20  -4.893  10.338   0.082
  134   2HD   ARG  20          HD1       ARG  20  -4.788   8.620  -0.240
  135    HE   ARG  20           HE       ARG  20  -2.704  10.038  -1.613
  136   1HH1  ARG  20          HH11      ARG  20  -3.668   9.059   1.623
  137   2HH1  ARG  20          HH12      ARG  20  -2.046   9.019   2.192
  138   1HH2  ARG  20          HH21      ARG  20  -0.598   9.975  -0.839
  139   2HH2  ARG  20          HH22      ARG  20  -0.293   9.537   0.809
  140    H    GLY  21           HN       GLY  21  -4.782   6.434  -0.523
  141   1HA   GLY  21          HA2       GLY  21  -7.011   6.193   0.592
  142   2HA   GLY  21          HA1       GLY  21  -7.590   5.477  -0.908
  143    H    LEU  22           HN       LEU  22  -4.711   4.394  -1.134
  144    HA   LEU  22           HA       LEU  22  -5.121   1.986   0.571
  145   1HB   LEU  22          HB2       LEU  22  -3.401   2.165  -1.895
  146   2HB   LEU  22          HB1       LEU  22  -4.033   0.736  -1.098
  147    HG   LEU  22           HG       LEU  22  -5.654   2.750  -2.676
  148   1HD1  LEU  22          HD11      LEU  22  -4.228   1.403  -4.105
  149   2HD1  LEU  22          HD12      LEU  22  -5.912   0.957  -4.283
  150   3HD1  LEU  22          HD13      LEU  22  -4.842  -0.057  -3.330
  151   1HD2  LEU  22          HD21      LEU  22  -6.873   1.579  -0.741
  152   2HD2  LEU  22          HD22      LEU  22  -6.568   0.089  -1.638
  153   3HD2  LEU  22          HD23      LEU  22  -7.507   1.372  -2.360
  154    H    GLN  23           HN       GLN  23  -3.403   1.135   1.643
  155    HA   GLN  23           HA       GLN  23  -0.989   2.845   1.886
  156   1HB   GLN  23          HB2       GLN  23  -2.461   3.564   3.630
  157   2HB   GLN  23          HB1       GLN  23  -2.784   1.908   4.148
  158   1HG   GLN  23          HG2       GLN  23  -0.550   1.650   4.993
  159   2HG   GLN  23          HG1       GLN  23  -0.022   3.165   4.243
  160   1HE2  GLN  23          HE21      GLN  23  -1.884   1.710   6.836
  161   2HE2  GLN  23          HE22      GLN  23  -1.968   3.151   7.785
  162    H    CYS  24           HN       CYS  24   0.771   1.847   1.911
  163    HA   CYS  24           HA       CYS  24   0.933  -0.939   1.439
  164   1HB   CYS  24          HB2       CYS  24   3.055   1.115   1.969
  165   2HB   CYS  24          HB1       CYS  24   3.371  -0.582   1.608
  166    H    ARG  25           HN       ARG  25   0.837  -2.486   2.738
  167    HA   ARG  25           HA       ARG  25   2.036  -2.267   5.444
  168   1HB   ARG  25          HB2       ARG  25  -0.193  -3.123   5.582
  169   2HB   ARG  25          HB1       ARG  25   0.042  -4.150   4.186
  170   1HG   ARG  25          HG2       ARG  25  -0.016  -5.457   6.185
  171   2HG   ARG  25          HG1       ARG  25   1.563  -5.613   5.444
  172   1HD   ARG  25          HD2       ARG  25   2.125  -3.594   7.142
  173   2HD   ARG  25          HD1       ARG  25   0.701  -4.254   7.942
  174    HE   ARG  25           HE       ARG  25   2.413  -6.392   7.349
  175   1HH1  ARG  25          HH11      ARG  25   2.255  -3.593   9.481
  176   2HH1  ARG  25          HH12      ARG  25   3.376  -4.267  10.598
  177   1HH2  ARG  25          HH21      ARG  25   3.879  -7.237   8.832
  178   2HH2  ARG  25          HH22      ARG  25   4.301  -6.331  10.246
  179    H    TYR  26           HN       TYR  26   3.650  -3.632   6.007
  180    HA   TYR  26           HA       TYR  26   5.556  -4.344   4.173
  181   1HB   TYR  26          HB2       TYR  26   5.025  -5.312   6.970
  182   2HB   TYR  26          HB1       TYR  26   6.379  -5.960   6.055
  183    HD1  TYR  26           HD1      TYR  26   7.854  -4.034   4.833
  184    HD2  TYR  26           HD2      TYR  26   5.505  -3.534   8.377
  185    HE1  TYR  26           HE1      TYR  26   9.233  -2.126   5.483
  186    HE2  TYR  26           HE2      TYR  26   6.883  -1.606   9.007
  187    HH   TYR  26           HH       TYR  26   9.512  -0.953   8.368
  188    H    GLY  27           HN       GLY  27   4.810  -5.320   2.465
  189   1HA   GLY  27          HA2       GLY  27   4.982  -7.757   1.739
  190   2HA   GLY  27          HA1       GLY  27   3.533  -7.997   2.709
  191    H    LYS  28           HN       LYS  28   2.076  -5.778   2.205
  192    HA   LYS  28           HA       LYS  28   1.730  -5.457  -0.671
  193   1HB   LYS  28          HB2       LYS  28  -0.487  -6.420  -0.775
  194   2HB   LYS  28          HB1       LYS  28   0.668  -7.634  -0.220
  195   1HG   LYS  28          HG2       LYS  28  -0.040  -7.374   2.075
  196   2HG   LYS  28          HG1       LYS  28  -1.146  -6.054   1.637
  197   1HD   LYS  28          HD2       LYS  28  -2.420  -7.618   0.206
  198   2HD   LYS  28          HD1       LYS  28  -1.349  -8.934   0.723
  199   1HE   LYS  28          HE2       LYS  28  -2.063  -8.598   3.045
  200   2HE   LYS  28          HE1       LYS  28  -3.105  -7.287   2.521
  201   1HZ   LYS  28          HZ1       LYS  28  -4.325  -9.293   2.814
  202   2HZ   LYS  28          HZ2       LYS  28  -3.379 -10.104   1.677
  203   3HZ   LYS  28          HZ3       LYS  28  -4.385  -8.817   1.194
  204    H    CYS  29           HN       CYS  29   0.249  -3.975  -1.256
  205    HA   CYS  29           HA       CYS  29  -0.134  -1.840   0.636
  206   1HB   CYS  29          HB2       CYS  29   0.525  -1.441  -1.702
  207   2HB   CYS  29          HB1       CYS  29  -1.028  -2.023  -2.233
  208    H    LEU  30           HN       LEU  30  -1.673  -1.863   2.001
  209    HA   LEU  30           HA       LEU  30  -4.019  -3.533   1.605
  210   1HB   LEU  30          HB2       LEU  30  -3.145  -1.728   3.881
  211   2HB   LEU  30          HB1       LEU  30  -4.633  -2.678   3.902
  212    HG   LEU  30           HG       LEU  30  -1.838  -3.778   3.781
  213   1HD1  LEU  30          HD11      LEU  30  -2.428  -2.816   5.973
  214   2HD1  LEU  30          HD12      LEU  30  -2.293  -4.569   6.031
  215   3HD1  LEU  30          HD13      LEU  30  -3.889  -3.822   6.004
  216   1HD2  LEU  30          HD21      LEU  30  -4.516  -5.163   3.801
  217   2HD2  LEU  30          HD22      LEU  30  -2.989  -5.949   4.195
  218   3HD2  LEU  30          HD23      LEU  30  -3.231  -5.289   2.587
  219    H    VAL  31           HN       VAL  31  -5.898  -2.975   1.085
  220    HA   VAL  31           HA       VAL  31  -6.582  -0.289   0.337
  221    HB   VAL  31           HB       VAL  31  -7.565  -2.110  -0.865
  222   1HG1  VAL  31          HG11      VAL  31  -9.108  -2.935   1.578
  223   2HG1  VAL  31          HG12      VAL  31  -7.643  -3.757   1.046
  224   3HG1  VAL  31          HG13      VAL  31  -9.054  -3.712   0.012
  225   1HG2  VAL  31          HG21      VAL  31  -9.783  -0.802   0.646
  226   2HG2  VAL  31          HG22      VAL  31  -9.797  -1.404  -0.992
  227   3HG2  VAL  31          HG23      VAL  31  -8.846   0.015  -0.599
  228    H    GLN  32           HN       GLN  32  -6.756   1.174   1.782
  229    HA   GLN  32           HA       GLN  32  -7.275   0.518   4.551
  230   1HB   GLN  32          HB2       GLN  32  -5.675   2.278   3.751
  231   2HB   GLN  32          HB1       GLN  32  -7.051   3.272   3.279
  232   1HG   GLN  32          HG2       GLN  32  -7.829   3.309   5.629
  233   2HG   GLN  32          HG1       GLN  32  -6.443   2.309   6.087
  234   1HE2  GLN  32          HE21      GLN  32  -5.620   3.840   7.505
  235   2HE2  GLN  32          HE22      GLN  32  -4.933   5.318   6.933
  236    H    VAL  33           HN       VAL  33  -9.314  -0.473   3.808
  237    HA   VAL  33           HA       VAL  33 -11.510   1.462   4.266
  238    HB   VAL  33           HB       VAL  33 -13.038  -0.012   3.019
  239   1HG1  VAL  33          HG11      VAL  33 -12.271   0.509   0.754
  240   2HG1  VAL  33          HG12      VAL  33 -10.690   0.966   1.385
  241   3HG1  VAL  33          HG13      VAL  33 -12.132   1.883   1.845
  242   1HG2  VAL  33          HG21      VAL  33 -11.942  -1.693   1.438
  243   2HG2  VAL  33          HG22      VAL  33 -12.092  -2.165   3.117
  244   3HG2  VAL  33          HG23      VAL  33 -10.536  -1.625   2.489
  245   1HG   HSL  34          HG1       HSL  34 -13.593   0.801   9.890
  246   2HG   HSL  34          HG2       HSL  34 -13.193  -0.906  10.172
  247    H    HSL  34           HN       HSL  34 -13.075   0.828   5.562
  248    HA   HSL  34           HA       HSL  34 -12.812  -1.860   7.073
  249   1HB   HSL  34          HB1       HSL  34 -11.634  -0.646   8.582
  250   2HB   HSL  34          HB2       HSL  34 -12.329   0.887   8.045
  Start of MODEL    2
    1   1H    ALA   1           HT1      ALA   1  -0.258   5.413 -13.198
    2   2H    ALA   1           HT2      ALA   1   0.659   5.992 -11.902
    3   3H    ALA   1           HT3      ALA   1  -0.901   5.368 -11.640
    4    HA   ALA   1           HA       ALA   1  -0.192   3.175 -12.357
    5   1HB   ALA   1          HB1       ALA   1   2.557   4.434 -12.608
    6   2HB   ALA   1          HB2       ALA   1   1.511   3.930 -13.931
    7   3HB   ALA   1          HB3       ALA   1   2.168   2.718 -12.837
    8    H    CYS   2           HN       CYS   2  -1.073   3.833 -10.190
    9    HA   CYS   2           HA       CYS   2   0.902   3.735  -7.987
   10   1HB   CYS   2          HB2       CYS   2  -1.134   4.020  -6.588
   11   2HB   CYS   2          HB1       CYS   2  -0.817   5.336  -7.656
   12    H    GLY   3           HN       GLY   3   0.836   2.179  -6.413
   13   1HA   GLY   3          HA2       GLY   3   0.358  -0.491  -7.176
   14   2HA   GLY   3          HA1       GLY   3   0.688   0.090  -5.549
   15    H    ILE   4           HN       ILE   4  -1.152  -1.980  -6.326
   16    HA   ILE   4           HA       ILE   4  -3.790  -0.726  -5.708
   17    HB   ILE   4           HB       ILE   4  -4.832  -2.767  -6.675
   18   1HG1  ILE   4          HG12      ILE   4  -2.019  -3.414  -7.607
   19   2HG1  ILE   4          HG11      ILE   4  -2.898  -4.322  -6.365
   20   1HG2  ILE   4          HG21      ILE   4  -3.009  -1.316  -8.613
   21   2HG2  ILE   4          HG22      ILE   4  -4.544  -0.704  -7.979
   22   3HG2  ILE   4          HG23      ILE   4  -4.529  -2.149  -8.972
   23   1HD1  ILE   4          HD11      ILE   4  -4.597  -4.882  -8.074
   24   2HD1  ILE   4          HD12      ILE   4  -2.979  -5.497  -8.394
   25   3HD1  ILE   4          HD13      ILE   4  -3.567  -4.098  -9.283
   26    H    LEU   5           HN       LEU   5  -5.264  -2.192  -4.724
   27    HA   LEU   5           HA       LEU   5  -4.459  -2.419  -2.030
   28   1HB   LEU   5          HB2       LEU   5  -6.788  -3.107  -1.630
   29   2HB   LEU   5          HB1       LEU   5  -6.627  -1.634  -2.551
   30    HG   LEU   5           HG       LEU   5  -6.898  -4.060  -4.237
   31   1HD1  LEU   5          HD11      LEU   5  -8.386  -4.661  -2.371
   32   2HD1  LEU   5          HD12      LEU   5  -9.231  -4.336  -3.879
   33   3HD1  LEU   5          HD13      LEU   5  -9.245  -3.127  -2.598
   34   1HD2  LEU   5          HD21      LEU   5  -8.323  -1.406  -4.212
   35   2HD2  LEU   5          HD22      LEU   5  -8.377  -2.639  -5.467
   36   3HD2  LEU   5          HD23      LEU   5  -6.883  -1.781  -5.162
   37    H    HIS   6           HN       HIS   6  -3.732  -4.574  -4.299
   38    HA   HIS   6           HA       HIS   6  -3.175  -6.534  -2.258
   39   1HB   HIS   6          HB2       HIS   6  -4.165  -8.423  -3.586
   40   2HB   HIS   6          HB1       HIS   6  -5.343  -7.334  -2.882
   41    HD1  HIS   6           HD1      HIS   6  -4.042  -8.525  -6.169
   42    HD2  HIS   6           HD2      HIS   6  -6.928  -5.947  -4.691
   43    HE1  HIS   6           HE1      HIS   6  -5.519  -7.973  -8.116
   44    HE2  HIS   6           HE2      HIS   6  -7.153  -6.269  -7.244
   45    H    ASP   7           HN       ASP   7  -1.651  -4.750  -3.602
   46    HA   ASP   7           HA       ASP   7   0.050  -6.602  -5.214
   47   1HB   ASP   7          HB2       ASP   7  -0.860  -4.734  -6.524
   48   2HB   ASP   7          HB1       ASP   7  -0.098  -3.555  -5.478
   49    H    ASN   8           HN       ASN   8   2.063  -6.798  -4.676
   50    HA   ASN   8           HA       ASN   8   2.847  -6.436  -2.043
   51   1HB   ASN   8          HB2       ASN   8   5.039  -7.183  -2.652
   52   2HB   ASN   8          HB1       ASN   8   3.837  -8.081  -3.567
   53   1HD2  ASN   8          HD21      ASN   8   6.729  -7.429  -4.081
   54   2HD2  ASN   8          HD22      ASN   8   6.708  -6.752  -5.670
   55    H    CYS   9           HN       CYS   9   4.064  -5.005  -0.977
   56    HA   CYS   9           HA       CYS   9   5.151  -2.657  -2.156
   57   1HB   CYS   9          HB2       CYS   9   2.650  -2.207  -2.236
   58   2HB   CYS   9          HB1       CYS   9   2.632  -2.238  -0.480
   59    H    VAL  10           HN       VAL  10   6.413  -1.587  -0.835
   60    HA   VAL  10           HA       VAL  10   7.110  -2.875   1.695
   61    HB   VAL  10           HB       VAL  10   8.319  -0.410   0.374
   62   1HG1  VAL  10          HG11      VAL  10   9.220  -2.155   2.687
   63   2HG1  VAL  10          HG12      VAL  10   8.921  -0.409   2.688
   64   3HG1  VAL  10          HG13      VAL  10  10.284  -1.065   1.805
   65   1HG2  VAL  10          HG21      VAL  10  10.062  -1.884  -0.420
   66   2HG2  VAL  10          HG22      VAL  10   8.507  -2.380  -1.079
   67   3HG2  VAL  10          HG23      VAL  10   9.242  -3.292   0.252
   68    H    TYR  11           HN       TYR  11   7.106  -1.896   3.644
   69    HA   TYR  11           HA       TYR  11   4.813  -0.211   4.167
   70   1HB   TYR  11          HB2       TYR  11   5.588  -1.996   5.636
   71   2HB   TYR  11          HB1       TYR  11   7.003  -1.124   6.092
   72    HD1  TYR  11           HD1      TYR  11   6.785   0.795   7.626
   73    HD2  TYR  11           HD2      TYR  11   3.341  -1.400   6.405
   74    HE1  TYR  11           HE1      TYR  11   5.478   1.840   9.404
   75    HE2  TYR  11           HE2      TYR  11   2.036  -0.363   8.185
   76    HH   TYR  11           HH       TYR  11   2.795   0.737  10.618
   77    H    VAL  12           HN       VAL  12   5.633   1.421   2.692
   78    HA   VAL  12           HA       VAL  12   7.174   3.457   4.187
   79    HB   VAL  12           HB       VAL  12   8.703   2.609   2.541
   80   1HG1  VAL  12          HG11      VAL  12   6.979   1.692   0.953
   81   2HG1  VAL  12          HG12      VAL  12   8.311   2.552   0.220
   82   3HG1  VAL  12          HG13      VAL  12   6.750   3.332   0.347
   83   1HG2  VAL  12          HG21      VAL  12   8.497   5.111   3.025
   84   2HG2  VAL  12          HG22      VAL  12   7.690   5.232   1.452
   85   3HG2  VAL  12          HG23      VAL  12   9.332   4.625   1.557
   86    HA   PRO  13           HA       PRO  13   2.947   4.890   3.078
   87   1HB   PRO  13          HB2       PRO  13   2.566   6.233   5.429
   88   2HB   PRO  13          HB1       PRO  13   2.272   4.507   5.218
   89   1HG   PRO  13          HG2       PRO  13   4.663   5.864   6.406
   90   2HG   PRO  13          HG1       PRO  13   3.756   4.453   6.983
   91   1HD   PRO  13          HD2       PRO  13   6.078   4.237   5.679
   92   2HD   PRO  13          HD1       PRO  13   4.794   3.012   5.534
   93    H    ALA  14           HN       ALA  14   5.763   6.505   4.413
   94    HA   ALA  14           HA       ALA  14   5.055   9.164   4.169
   95   1HB   ALA  14          HB1       ALA  14   7.082   8.382   5.261
   96   2HB   ALA  14          HB2       ALA  14   7.445   9.655   4.102
   97   3HB   ALA  14          HB3       ALA  14   7.798   7.959   3.710
   98    H    GLN  15           HN       GLN  15   6.544   7.010   1.828
   99    HA   GLN  15           HA       GLN  15   5.656   8.862  -0.343
  100   1HB   GLN  15          HB2       GLN  15   8.144   8.667  -0.064
  101   2HB   GLN  15          HB1       GLN  15   8.024   6.942  -0.421
  102   1HG   GLN  15          HG2       GLN  15   6.865   7.726  -2.643
  103   2HG   GLN  15          HG1       GLN  15   7.478   9.314  -2.203
  104   1HE2  GLN  15          HE21      GLN  15   8.064   7.559  -4.484
  105   2HE2  GLN  15          HE22      GLN  15   9.778   7.351  -4.431
  106    H    ASN  16           HN       ASN  16   3.861   7.324   0.637
  107    HA   ASN  16           HA       ASN  16   3.579   4.679  -0.089
  108   1HB   ASN  16          HB2       ASN  16   2.031   5.913   1.342
  109   2HB   ASN  16          HB1       ASN  16   1.418   6.821  -0.028
  110   1HD2  ASN  16          HD21      ASN  16  -0.073   5.162   1.804
  111   2HD2  ASN  16          HD22      ASN  16  -0.759   3.901   0.845
  112    HA   PRO  17           HA       PRO  17   3.539   5.336  -4.562
  113   1HB   PRO  17          HB2       PRO  17   4.483   2.909  -5.203
  114   2HB   PRO  17          HB1       PRO  17   5.495   4.132  -4.435
  115   1HG   PRO  17          HG2       PRO  17   4.251   1.721  -3.249
  116   2HG   PRO  17          HG1       PRO  17   5.811   2.471  -2.893
  117   1HD   PRO  17          HD2       PRO  17   3.436   2.792  -1.420
  118   2HD   PRO  17          HD1       PRO  17   4.939   3.710  -1.265
  119    H    CYS  18           HN       CYS  18   1.520   3.716  -2.584
  120    HA   CYS  18           HA       CYS  18   0.061   2.211  -4.583
  121   1HB   CYS  18          HB2       CYS  18   0.441   1.404  -2.281
  122   2HB   CYS  18          HB1       CYS  18  -0.605   2.650  -1.656
  123    H    CYS  19           HN       CYS  19  -2.188   2.556  -4.833
  124    HA   CYS  19           HA       CYS  19  -2.833   5.188  -5.574
  125   1HB   CYS  19          HB2       CYS  19  -4.770   2.924  -5.008
  126   2HB   CYS  19          HB1       CYS  19  -5.081   4.360  -5.986
  127    H    ARG  20           HN       ARG  20  -3.575   6.825  -4.620
  128    HA   ARG  20           HA       ARG  20  -3.400   7.063  -1.865
  129   1HB   ARG  20          HB2       ARG  20  -3.246   8.940  -3.526
  130   2HB   ARG  20          HB1       ARG  20  -4.987   8.883  -3.734
  131   1HG   ARG  20          HG2       ARG  20  -4.392  10.656  -2.236
  132   2HG   ARG  20          HG1       ARG  20  -5.297   9.452  -1.331
  133   1HD   ARG  20          HD2       ARG  20  -3.015   8.517  -0.594
  134   2HD   ARG  20          HD1       ARG  20  -2.320   9.971  -1.337
  135    HE   ARG  20           HE       ARG  20  -4.326  10.797   0.429
  136   1HH1  ARG  20          HH11      ARG  20  -1.177   9.211   0.572
  137   2HH1  ARG  20          HH12      ARG  20  -0.894   9.720   2.191
  138   1HH2  ARG  20          HH21      ARG  20  -3.896  11.446   2.553
  139   2HH2  ARG  20          HH22      ARG  20  -2.414  10.980   3.318
  140    H    GLY  21           HN       GLY  21  -4.592   6.435  -0.326
  141   1HA   GLY  21          HA2       GLY  21  -6.822   6.388   0.686
  142   2HA   GLY  21          HA1       GLY  21  -7.466   5.755  -0.823
  143    H    LEU  22           HN       LEU  22  -4.778   4.278  -1.011
  144    HA   LEU  22           HA       LEU  22  -5.482   1.998   0.757
  145   1HB   LEU  22          HB2       LEU  22  -3.733   2.018  -1.688
  146   2HB   LEU  22          HB1       LEU  22  -4.367   0.610  -0.828
  147    HG   LEU  22           HG       LEU  22  -5.978   2.583  -2.455
  148   1HD1  LEU  22          HD11      LEU  22  -5.072  -0.219  -3.051
  149   2HD1  LEU  22          HD12      LEU  22  -4.617   1.239  -3.902
  150   3HD1  LEU  22          HD13      LEU  22  -6.276   0.662  -3.971
  151   1HD2  LEU  22          HD21      LEU  22  -7.324   1.668  -0.632
  152   2HD2  LEU  22          HD22      LEU  22  -6.775   0.036  -1.044
  153   3HD2  LEU  22          HD23      LEU  22  -7.783   0.937  -2.164
  154    H    GLN  23           HN       GLN  23  -3.883   0.980   1.866
  155    HA   GLN  23           HA       GLN  23  -1.552   2.702   2.443
  156   1HB   GLN  23          HB2       GLN  23  -3.283   2.723   4.207
  157   2HB   GLN  23          HB1       GLN  23  -3.147   0.990   4.393
  158   1HG   GLN  23          HG2       GLN  23  -1.966   2.098   6.142
  159   2HG   GLN  23          HG1       GLN  23  -0.785   1.288   5.132
  160   1HE2  GLN  23          HE21      GLN  23  -0.549   3.583   6.999
  161   2HE2  GLN  23          HE22      GLN  23   0.126   4.853   6.042
  162    H    CYS  24           HN       CYS  24   0.290   1.900   2.137
  163    HA   CYS  24           HA       CYS  24   0.646  -0.849   1.367
  164   1HB   CYS  24          HB2       CYS  24   2.433   1.519   1.572
  165   2HB   CYS  24          HB1       CYS  24   3.129  -0.086   1.381
  166    H    ARG  25           HN       ARG  25   0.388  -2.272   2.839
  167    HA   ARG  25           HA       ARG  25   1.698  -2.059   5.447
  168   1HB   ARG  25          HB2       ARG  25  -0.395  -3.168   5.435
  169   2HB   ARG  25          HB1       ARG  25   0.055  -4.209   4.087
  170   1HG   ARG  25          HG2       ARG  25   1.798  -5.269   5.600
  171   2HG   ARG  25          HG1       ARG  25   1.142  -4.284   6.915
  172   1HD   ARG  25          HD2       ARG  25  -0.507  -6.213   5.270
  173   2HD   ARG  25          HD1       ARG  25   0.409  -6.647   6.714
  174    HE   ARG  25           HE       ARG  25  -1.487  -4.421   6.996
  175   1HH1  ARG  25          HH11      ARG  25  -0.898  -7.868   7.405
  176   2HH1  ARG  25          HH12      ARG  25  -2.137  -8.031   8.578
  177   1HH2  ARG  25          HH21      ARG  25  -3.106  -4.680   8.546
  178   2HH2  ARG  25          HH22      ARG  25  -3.405  -6.242   9.232
  179    H    TYR  26           HN       TYR  26   3.351  -3.330   6.104
  180    HA   TYR  26           HA       TYR  26   5.504  -3.732   4.359
  181   1HB   TYR  26          HB2       TYR  26   5.691  -3.507   6.826
  182   2HB   TYR  26          HB1       TYR  26   4.969  -5.072   7.034
  183    HD1  TYR  26           HD1      TYR  26   7.800  -3.540   5.072
  184    HD2  TYR  26           HD2      TYR  26   6.451  -6.802   7.495
  185    HE1  TYR  26           HE1      TYR  26  10.021  -4.559   4.952
  186    HE2  TYR  26           HE2      TYR  26   8.676  -7.806   7.366
  187    HH   TYR  26           HH       TYR  26  11.347  -6.316   6.640
  188    H    GLY  27           HN       GLY  27   4.866  -4.783   2.606
  189   1HA   GLY  27          HA2       GLY  27   5.357  -7.217   1.952
  190   2HA   GLY  27          HA1       GLY  27   3.876  -7.579   2.834
  191    H    LYS  28           HN       LYS  28   2.243  -5.538   2.196
  192    HA   LYS  28           HA       LYS  28   2.132  -5.026  -0.632
  193   1HB   LYS  28          HB2       LYS  28   0.137  -6.278  -1.151
  194   2HB   LYS  28          HB1       LYS  28   1.406  -7.374  -0.618
  195   1HG   LYS  28          HG2       LYS  28   0.405  -7.640   1.533
  196   2HG   LYS  28          HG1       LYS  28  -0.803  -6.377   1.215
  197   1HD   LYS  28          HD2       LYS  28  -1.792  -7.716  -0.564
  198   2HD   LYS  28          HD1       LYS  28  -0.566  -8.976  -0.334
  199   1HE   LYS  28          HE2       LYS  28  -2.564  -8.112   1.755
  200   2HE   LYS  28          HE1       LYS  28  -2.719  -9.504   0.706
  201   1HZ   LYS  28          HZ1       LYS  28  -0.720  -9.063   2.848
  202   2HZ   LYS  28          HZ2       LYS  28  -0.534 -10.279   1.673
  203   3HZ   LYS  28          HZ3       LYS  28  -1.870 -10.286   2.701
  204    H    CYS  29           HN       CYS  29   0.324  -3.865  -1.299
  205    HA   CYS  29           HA       CYS  29  -0.495  -1.985   0.754
  206   1HB   CYS  29          HB2       CYS  29   0.157  -1.196  -1.475
  207   2HB   CYS  29          HB1       CYS  29  -1.171  -2.061  -2.183
  208    H    LEU  30           HN       LEU  30  -2.395  -1.705   1.580
  209    HA   LEU  30           HA       LEU  30  -4.598  -3.554   0.823
  210   1HB   LEU  30          HB2       LEU  30  -3.659  -2.781   3.613
  211   2HB   LEU  30          HB1       LEU  30  -5.140  -3.677   3.263
  212    HG   LEU  30           HG       LEU  30  -2.317  -4.644   2.714
  213   1HD1  LEU  30          HD11      LEU  30  -2.876  -4.574   5.105
  214   2HD1  LEU  30          HD12      LEU  30  -2.745  -6.217   4.491
  215   3HD1  LEU  30          HD13      LEU  30  -4.339  -5.524   4.787
  216   1HD2  LEU  30          HD21      LEU  30  -3.725  -6.831   2.462
  217   2HD2  LEU  30          HD22      LEU  30  -3.546  -5.740   1.104
  218   3HD2  LEU  30          HD23      LEU  30  -5.038  -5.746   2.045
  219    H    VAL  31           HN       VAL  31  -6.620  -2.891   1.687
  220    HA   VAL  31           HA       VAL  31  -7.119  -0.114   1.003
  221    HB   VAL  31           HB       VAL  31  -9.516  -0.668   1.381
  222   1HG1  VAL  31          HG11      VAL  31  -8.185  -2.725  -0.343
  223   2HG1  VAL  31          HG12      VAL  31  -8.404  -1.044  -0.822
  224   3HG1  VAL  31          HG13      VAL  31  -9.790  -2.051  -0.499
  225   1HG2  VAL  31          HG21      VAL  31  -8.448  -3.420   2.097
  226   2HG2  VAL  31          HG22      VAL  31 -10.118  -3.038   1.729
  227   3HG2  VAL  31          HG23      VAL  31  -9.371  -2.335   3.144
  228    H    GLN  32           HN       GLN  32  -7.422   1.507   2.255
  229    HA   GLN  32           HA       GLN  32  -7.310   1.248   5.152
  230   1HB   GLN  32          HB2       GLN  32  -7.838   3.574   3.302
  231   2HB   GLN  32          HB1       GLN  32  -7.850   3.733   5.063
  232   1HG   GLN  32          HG2       GLN  32  -5.504   2.968   5.138
  233   2HG   GLN  32          HG1       GLN  32  -5.486   2.880   3.369
  234   1HE2  GLN  32          HE21      GLN  32  -7.128   5.303   2.996
  235   2HE2  GLN  32          HE22      GLN  32  -6.089   6.586   3.437
  236    H    VAL  33           HN       VAL  33  -8.889   0.514   6.219
  237    HA   VAL  33           HA       VAL  33 -11.572   0.379   5.080
  238    HB   VAL  33           HB       VAL  33 -10.654  -0.540   7.832
  239   1HG1  VAL  33          HG11      VAL  33 -13.050  -0.419   7.715
  240   2HG1  VAL  33          HG12      VAL  33 -12.585  -2.099   7.534
  241   3HG1  VAL  33          HG13      VAL  33 -13.072  -1.178   6.115
  242   1HG2  VAL  33          HG21      VAL  33 -10.387  -2.744   6.861
  243   2HG2  VAL  33          HG22      VAL  33  -9.269  -1.611   6.114
  244   3HG2  VAL  33          HG23      VAL  33 -10.729  -2.122   5.249
  245   1HG   HSL  34          HG1       HSL  34 -13.367   6.636   4.507
  246   2HG   HSL  34          HG2       HSL  34 -13.182   6.926   6.250
  247    H    HSL  34           HN       HSL  34 -11.922   2.560   4.923
  248    HA   HSL  34           HA       HSL  34 -12.424   3.892   7.191
  249   1HB   HSL  34          HB1       HSL  34 -11.833   5.007   4.521
  250   2HB   HSL  34          HB2       HSL  34 -11.380   5.598   6.124
  Start of MODEL    3
    1   1H    ALA   1           HT1      ALA   1   3.152   1.913 -13.081
    2   2H    ALA   1           HT2      ALA   1   3.721   2.854 -11.797
    3   3H    ALA   1           HT3      ALA   1   2.082   2.925 -12.255
    4    HA   ALA   1           HA       ALA   1   1.776   0.606 -11.646
    5   1HB   ALA   1          HB1       ALA   1   3.539  -0.620 -10.475
    6   2HB   ALA   1          HB2       ALA   1   4.641   0.757 -10.677
    7   3HB   ALA   1          HB3       ALA   1   4.051  -0.120 -12.083
    8    H    CYS   2           HN       CYS   2   0.274   1.645 -10.493
    9    HA   CYS   2           HA       CYS   2   1.008   2.953  -7.952
   10   1HB   CYS   2          HB2       CYS   2  -0.701   3.916  -9.493
   11   2HB   CYS   2          HB1       CYS   2  -1.753   2.548  -9.171
   12    H    GLY   3           HN       GLY   3   0.617   2.133  -6.029
   13   1HA   GLY   3          HA2       GLY   3   0.494  -0.675  -5.702
   14   2HA   GLY   3          HA1       GLY   3   0.439   0.522  -4.446
   15    H    ILE   4           HN       ILE   4  -1.222  -1.885  -5.769
   16    HA   ILE   4           HA       ILE   4  -3.897  -0.802  -5.069
   17    HB   ILE   4           HB       ILE   4  -4.813  -2.572  -6.606
   18   1HG1  ILE   4          HG12      ILE   4  -1.918  -2.794  -7.508
   19   2HG1  ILE   4          HG11      ILE   4  -2.806  -4.060  -6.656
   20   1HG2  ILE   4          HG21      ILE   4  -3.024  -0.531  -7.946
   21   2HG2  ILE   4          HG22      ILE   4  -4.614  -0.208  -7.239
   22   3HG2  ILE   4          HG23      ILE   4  -4.476  -1.301  -8.603
   23   1HD1  ILE   4          HD11      ILE   4  -4.387  -4.149  -8.566
   24   2HD1  ILE   4          HD12      ILE   4  -2.723  -4.578  -8.945
   25   3HD1  ILE   4          HD13      ILE   4  -3.341  -3.000  -9.416
   26    H    LEU   5           HN       LEU   5  -5.450  -2.678  -4.680
   27    HA   LEU   5           HA       LEU   5  -4.799  -3.236  -2.006
   28   1HB   LEU   5          HB2       LEU   5  -6.989  -4.142  -1.796
   29   2HB   LEU   5          HB1       LEU   5  -7.025  -2.754  -2.857
   30    HG   LEU   5           HG       LEU   5  -6.837  -4.670  -4.754
   31   1HD1  LEU   5          HD11      LEU   5  -6.813  -6.598  -3.358
   32   2HD1  LEU   5          HD12      LEU   5  -8.414  -6.488  -4.045
   33   3HD1  LEU   5          HD13      LEU   5  -8.152  -6.001  -2.374
   34   1HD2  LEU   5          HD21      LEU   5  -9.410  -3.846  -3.391
   35   2HD2  LEU   5          HD22      LEU   5  -9.218  -4.474  -5.027
   36   3HD2  LEU   5          HD23      LEU   5  -8.540  -2.903  -4.616
   37    H    HIS   6           HN       HIS   6  -4.339  -5.110  -4.858
   38    HA   HIS   6           HA       HIS   6  -3.149  -7.215  -3.131
   39   1HB   HIS   6          HB2       HIS   6  -3.727  -8.866  -4.921
   40   2HB   HIS   6          HB1       HIS   6  -5.109  -8.188  -4.080
   41    HD1  HIS   6           HD1      HIS   6  -3.298  -7.838  -7.406
   42    HD2  HIS   6           HD2      HIS   6  -7.012  -7.124  -5.686
   43    HE1  HIS   6           HE1      HIS   6  -4.806  -7.162  -9.295
   44    HE2  HIS   6           HE2      HIS   6  -7.017  -6.633  -8.216
   45    H    ASP   7           HN       ASP   7  -1.735  -5.146  -3.641
   46    HA   ASP   7           HA       ASP   7   0.273  -6.286  -5.526
   47   1HB   ASP   7          HB2       ASP   7  -0.601  -4.264  -6.513
   48   2HB   ASP   7          HB1       ASP   7  -0.327  -3.342  -5.043
   49    H    ASN   8           HN       ASN   8   2.177  -6.561  -4.797
   50    HA   ASN   8           HA       ASN   8   2.630  -6.414  -1.958
   51   1HB   ASN   8          HB2       ASN   8   4.509  -7.168  -4.216
   52   2HB   ASN   8          HB1       ASN   8   4.861  -7.374  -2.492
   53   1HD2  ASN   8          HD21      ASN   8   3.637  -8.910  -1.288
   54   2HD2  ASN   8          HD22      ASN   8   2.857 -10.206  -2.123
   55    H    CYS   9           HN       CYS   9   3.698  -4.975  -0.856
   56    HA   CYS   9           HA       CYS   9   5.230  -2.861  -2.125
   57   1HB   CYS   9          HB2       CYS   9   2.858  -2.159  -2.299
   58   2HB   CYS   9          HB1       CYS   9   2.691  -2.242  -0.553
   59    H    VAL  10           HN       VAL  10   6.703  -2.062  -0.920
   60    HA   VAL  10           HA       VAL  10   7.002  -3.013   1.860
   61    HB   VAL  10           HB       VAL  10   8.940  -3.197   0.360
   62   1HG1  VAL  10          HG11      VAL  10  10.113  -1.326  -0.487
   63   2HG1  VAL  10          HG12      VAL  10   9.061  -0.171   0.309
   64   3HG1  VAL  10          HG13      VAL  10   8.455  -1.154  -1.031
   65   1HG2  VAL  10          HG21      VAL  10  10.560  -2.379   1.862
   66   2HG2  VAL  10          HG22      VAL  10   9.178  -2.839   2.846
   67   3HG2  VAL  10          HG23      VAL  10   9.501  -1.131   2.499
   68    H    TYR  11           HN       TYR  11   6.977  -1.749   3.569
   69    HA   TYR  11           HA       TYR  11   5.157   0.447   3.427
   70   1HB   TYR  11          HB2       TYR  11   5.417  -1.208   5.308
   71   2HB   TYR  11          HB1       TYR  11   6.861  -0.345   5.800
   72    HD1  TYR  11           HD1      TYR  11   6.675   2.026   6.648
   73    HD2  TYR  11           HD2      TYR  11   3.242  -0.355   5.814
   74    HE1  TYR  11           HE1      TYR  11   5.291   3.555   7.952
   75    HE2  TYR  11           HE2      TYR  11   1.850   1.179   7.106
   76    HH   TYR  11           HH       TYR  11   2.466   2.914   9.179
   77    H    VAL  12           HN       VAL  12   6.158   1.841   2.028
   78    HA   VAL  12           HA       VAL  12   7.971   3.714   3.448
   79    HB   VAL  12           HB       VAL  12   8.781   4.500   1.224
   80   1HG1  VAL  12          HG11      VAL  12   9.399   1.610   1.863
   81   2HG1  VAL  12          HG12      VAL  12  10.138   3.027   2.631
   82   3HG1  VAL  12          HG13      VAL  12  10.380   2.725   0.914
   83   1HG2  VAL  12          HG21      VAL  12   7.169   3.746  -0.335
   84   2HG2  VAL  12          HG22      VAL  12   7.246   2.088   0.236
   85   3HG2  VAL  12          HG23      VAL  12   8.594   2.778  -0.635
   86    HA   PRO  13           HA       PRO  13   4.063   5.858   3.017
   87   1HB   PRO  13          HB2       PRO  13   4.525   7.650   5.004
   88   2HB   PRO  13          HB1       PRO  13   4.072   5.970   5.284
   89   1HG   PRO  13          HG2       PRO  13   6.768   7.236   5.468
   90   2HG   PRO  13          HG1       PRO  13   6.014   6.013   6.502
   91   1HD   PRO  13          HD2       PRO  13   7.852   5.477   4.549
   92   2HD   PRO  13          HD1       PRO  13   6.671   4.300   5.185
   93    H    ALA  14           HN       ALA  14   7.180   7.525   3.390
   94    HA   ALA  14           HA       ALA  14   6.323  10.061   2.507
   95   1HB   ALA  14          HB1       ALA  14   8.697  10.585   2.317
   96   2HB   ALA  14          HB2       ALA  14   9.106   8.863   2.453
   97   3HB   ALA  14          HB3       ALA  14   8.349   9.704   3.801
   98    H    GLN  15           HN       GLN  15   7.872   7.335   0.917
   99    HA   GLN  15           HA       GLN  15   7.222   8.552  -1.733
  100   1HB   GLN  15          HB2       GLN  15   9.598   8.035  -1.300
  101   2HB   GLN  15          HB1       GLN  15   9.196   6.336  -1.038
  102   1HG   GLN  15          HG2       GLN  15   8.398   6.196  -3.400
  103   2HG   GLN  15          HG1       GLN  15   8.803   7.898  -3.618
  104   1HE2  GLN  15          HE21      GLN  15   9.763   5.484  -5.002
  105   2HE2  GLN  15          HE22      GLN  15  11.477   5.525  -4.793
  106    H    ASN  16           HN       ASN  16   5.196   7.563  -0.254
  107    HA   ASN  16           HA       ASN  16   4.542   4.863  -0.647
  108   1HB   ASN  16          HB2       ASN  16   3.327   6.010   0.977
  109   2HB   ASN  16          HB1       ASN  16   2.885   7.315  -0.111
  110   1HD2  ASN  16          HD21      ASN  16   1.104   7.070  -1.433
  111   2HD2  ASN  16          HD22      ASN  16   0.031   5.736  -1.260
  112    HA   PRO  17           HA       PRO  17   3.715   5.301  -5.053
  113   1HB   PRO  17          HB2       PRO  17   4.394   2.784  -5.687
  114   2HB   PRO  17          HB1       PRO  17   5.600   3.979  -5.211
  115   1HG   PRO  17          HG2       PRO  17   4.519   1.698  -3.662
  116   2HG   PRO  17          HG1       PRO  17   6.128   2.434  -3.624
  117   1HD   PRO  17          HD2       PRO  17   3.961   2.901  -1.838
  118   2HD   PRO  17          HD1       PRO  17   5.549   3.690  -1.892
  119    H    CYS  18           HN       CYS  18   2.007   4.162  -2.636
  120    HA   CYS  18           HA       CYS  18   0.209   2.385  -4.017
  121   1HB   CYS  18          HB2       CYS  18   1.171   2.129  -1.641
  122   2HB   CYS  18          HB1       CYS  18  -0.050   3.280  -1.159
  123    H    CYS  19           HN       CYS  19  -1.838   2.799  -4.445
  124    HA   CYS  19           HA       CYS  19  -2.557   5.482  -5.075
  125   1HB   CYS  19          HB2       CYS  19  -4.442   3.121  -4.753
  126   2HB   CYS  19          HB1       CYS  19  -4.712   4.585  -5.703
  127    H    ARG  20           HN       ARG  20  -3.330   7.004  -3.917
  128    HA   ARG  20           HA       ARG  20  -3.468   6.893  -1.158
  129   1HB   ARG  20          HB2       ARG  20  -3.174   8.969  -2.486
  130   2HB   ARG  20          HB1       ARG  20  -4.854   8.897  -2.976
  131   1HG   ARG  20          HG2       ARG  20  -4.710  10.480  -1.251
  132   2HG   ARG  20          HG1       ARG  20  -5.509   9.099  -0.527
  133   1HD   ARG  20          HD2       ARG  20  -2.558   9.756  -0.288
  134   2HD   ARG  20          HD1       ARG  20  -3.776  10.163   0.902
  135    HE   ARG  20           HE       ARG  20  -2.649   7.521   0.325
  136   1HH1  ARG  20          HH11      ARG  20  -5.026   9.375   2.150
  137   2HH1  ARG  20          HH12      ARG  20  -5.168   8.172   3.363
  138   1HH2  ARG  20          HH21      ARG  20  -2.919   5.934   1.923
  139   2HH2  ARG  20          HH22      ARG  20  -3.997   6.220   3.249
  140    H    GLY  21           HN       GLY  21  -4.881   6.283   0.221
  141   1HA   GLY  21          HA2       GLY  21  -7.173   5.988   0.956
  142   2HA   GLY  21          HA1       GLY  21  -7.597   5.482  -0.676
  143    H    LEU  22           HN       LEU  22  -5.241   3.993  -1.162
  144    HA   LEU  22           HA       LEU  22  -5.536   1.702   0.670
  145   1HB   LEU  22          HB2       LEU  22  -4.138   1.892  -2.028
  146   2HB   LEU  22          HB1       LEU  22  -4.327   0.440  -1.044
  147    HG   LEU  22           HG       LEU  22  -6.842   0.759  -1.328
  148   1HD1  LEU  22          HD11      LEU  22  -7.365   1.955  -3.529
  149   2HD1  LEU  22          HD12      LEU  22  -5.857   2.823  -3.277
  150   3HD1  LEU  22          HD13      LEU  22  -7.152   2.924  -2.090
  151   1HD2  LEU  22          HD21      LEU  22  -6.851  -0.383  -3.419
  152   2HD2  LEU  22          HD22      LEU  22  -5.471  -0.942  -2.488
  153   3HD2  LEU  22          HD23      LEU  22  -5.239   0.202  -3.816
  154    H    GLN  23           HN       GLN  23  -4.020   1.176   1.993
  155    HA   GLN  23           HA       GLN  23  -1.665   2.939   2.045
  156   1HB   GLN  23          HB2       GLN  23  -3.142   2.919   4.043
  157   2HB   GLN  23          HB1       GLN  23  -2.817   1.208   4.269
  158   1HG   GLN  23          HG2       GLN  23  -1.486   2.649   5.735
  159   2HG   GLN  23          HG1       GLN  23  -0.469   1.646   4.711
  160   1HE2  GLN  23          HE21      GLN  23   1.330   2.993   4.767
  161   2HE2  GLN  23          HE22      GLN  23   1.324   4.569   4.062
  162    H    CYS  24           HN       CYS  24   0.220   2.271   1.738
  163    HA   CYS  24           HA       CYS  24   0.792  -0.447   0.965
  164   1HB   CYS  24          HB2       CYS  24   1.944   1.291  -0.149
  165   2HB   CYS  24          HB1       CYS  24   2.508   2.018   1.330
  166    H    ARG  25           HN       ARG  25   0.576  -1.836   2.502
  167    HA   ARG  25           HA       ARG  25   1.841  -1.378   5.144
  168   1HB   ARG  25          HB2       ARG  25  -0.464  -2.090   5.154
  169   2HB   ARG  25          HB1       ARG  25  -0.101  -3.484   4.142
  170   1HG   ARG  25          HG2       ARG  25   1.275  -4.444   5.966
  171   2HG   ARG  25          HG1       ARG  25   0.925  -3.022   6.963
  172   1HD   ARG  25          HD2       ARG  25  -1.383  -3.583   7.068
  173   2HD   ARG  25          HD1       ARG  25  -1.187  -4.821   5.813
  174    HE   ARG  25           HE       ARG  25   0.476  -5.425   8.026
  175   1HH1  ARG  25          HH11      ARG  25  -2.925  -5.366   7.128
  176   2HH1  ARG  25          HH12      ARG  25  -3.307  -6.720   8.118
  177   1HH2  ARG  25          HH21      ARG  25  -0.065  -7.200   9.308
  178   2HH2  ARG  25          HH22      ARG  25  -1.702  -7.765   9.359
  179    H    TYR  26           HN       TYR  26   3.189  -2.908   6.023
  180    HA   TYR  26           HA       TYR  26   5.354  -3.686   4.544
  181   1HB   TYR  26          HB2       TYR  26   4.248  -4.859   7.104
  182   2HB   TYR  26          HB1       TYR  26   5.799  -5.373   6.435
  183    HD1  TYR  26           HD1      TYR  26   7.654  -3.663   6.169
  184    HD2  TYR  26           HD2      TYR  26   4.062  -2.852   8.349
  185    HE1  TYR  26           HE1      TYR  26   8.754  -1.798   7.298
  186    HE2  TYR  26           HE2      TYR  26   5.187  -1.007   9.501
  187    HH   TYR  26           HH       TYR  26   7.843  -0.473  10.023
  188    H    GLY  27           HN       GLY  27   4.846  -4.589   2.639
  189   1HA   GLY  27          HA2       GLY  27   5.329  -6.812   1.755
  190   2HA   GLY  27          HA1       GLY  27   4.058  -7.475   2.763
  191    H    LYS  28           HN       LYS  28   2.255  -5.184   2.243
  192    HA   LYS  28           HA       LYS  28   1.655  -5.321  -0.575
  193   1HB   LYS  28          HB2       LYS  28  -0.504  -6.510  -0.287
  194   2HB   LYS  28          HB1       LYS  28   0.910  -7.511   0.036
  195   1HG   LYS  28          HG2       LYS  28   0.608  -7.223   2.454
  196   2HG   LYS  28          HG1       LYS  28  -0.824  -6.208   2.162
  197   1HD   LYS  28          HD2       LYS  28  -1.963  -8.081   1.080
  198   2HD   LYS  28          HD1       LYS  28  -0.533  -9.106   1.303
  199   1HE   LYS  28          HE2       LYS  28  -2.178  -7.875   3.528
  200   2HE   LYS  28          HE1       LYS  28  -2.264  -9.535   2.960
  201   1HZ   LYS  28          HZ1       LYS  28  -0.011  -8.228   4.368
  202   2HZ   LYS  28          HZ2       LYS  28   0.188  -9.695   3.532
  203   3HZ   LYS  28          HZ3       LYS  28  -0.903  -9.587   4.814
  204    H    CYS  29           HN       CYS  29   0.087  -4.052  -1.262
  205    HA   CYS  29           HA       CYS  29  -0.698  -1.857   0.460
  206   1HB   CYS  29          HB2       CYS  29  -0.914  -2.514  -2.423
  207   2HB   CYS  29          HB1       CYS  29  -2.091  -1.370  -1.793
  208    H    LEU  30           HN       LEU  30  -2.466  -1.642   1.502
  209    HA   LEU  30           HA       LEU  30  -4.766  -3.429   0.891
  210   1HB   LEU  30          HB2       LEU  30  -3.591  -2.742   3.606
  211   2HB   LEU  30          HB1       LEU  30  -5.139  -3.558   3.371
  212    HG   LEU  30           HG       LEU  30  -2.437  -4.658   2.533
  213   1HD1  LEU  30          HD11      LEU  30  -3.085  -4.457   5.054
  214   2HD1  LEU  30          HD12      LEU  30  -2.436  -5.955   4.410
  215   3HD1  LEU  30          HD13      LEU  30  -4.167  -5.798   4.687
  216   1HD2  LEU  30          HD21      LEU  30  -3.749  -6.751   2.236
  217   2HD2  LEU  30          HD22      LEU  30  -4.143  -5.520   1.058
  218   3HD2  LEU  30          HD23      LEU  30  -5.235  -5.826   2.417
  219    H    VAL  31           HN       VAL  31  -6.615  -2.594   0.873
  220    HA   VAL  31           HA       VAL  31  -7.009   0.227   0.836
  221    HB   VAL  31           HB       VAL  31  -9.441  -0.312   0.742
  222   1HG1  VAL  31          HG11      VAL  31  -7.462  -1.579  -1.090
  223   2HG1  VAL  31          HG12      VAL  31  -8.632  -0.291  -1.358
  224   3HG1  VAL  31          HG13      VAL  31  -9.171  -1.956  -1.295
  225   1HG2  VAL  31          HG21      VAL  31  -8.477  -3.140   1.285
  226   2HG2  VAL  31          HG22      VAL  31 -10.030  -2.757   0.559
  227   3HG2  VAL  31          HG23      VAL  31  -9.671  -2.191   2.168
  228    H    GLN  32           HN       GLN  32  -8.023   1.552   2.233
  229    HA   GLN  32           HA       GLN  32  -7.721   0.917   5.030
  230   1HB   GLN  32          HB2       GLN  32  -7.266   3.177   4.252
  231   2HB   GLN  32          HB1       GLN  32  -8.896   3.349   3.624
  232   1HG   GLN  32          HG2       GLN  32  -8.474   4.514   5.767
  233   2HG   GLN  32          HG1       GLN  32  -9.835   3.406   5.827
  234   1HE2  GLN  32          HE21      GLN  32  -9.726   3.213   8.072
  235   2HE2  GLN  32          HE22      GLN  32  -8.439   2.358   8.844
  236    H    VAL  33           HN       VAL  33  -8.987  -0.636   5.609
  237    HA   VAL  33           HA       VAL  33 -11.753  -0.845   4.715
  238    HB   VAL  33           HB       VAL  33 -10.282  -2.556   6.755
  239   1HG1  VAL  33          HG11      VAL  33 -12.634  -2.891   6.972
  240   2HG1  VAL  33          HG12      VAL  33 -12.020  -4.214   6.002
  241   3HG1  VAL  33          HG13      VAL  33 -12.874  -2.890   5.218
  242   1HG2  VAL  33          HG21      VAL  33 -10.605  -3.001   3.779
  243   2HG2  VAL  33          HG22      VAL  33  -9.905  -4.118   4.944
  244   3HG2  VAL  33          HG23      VAL  33  -9.101  -2.600   4.614
  245   1HG   HSL  34          HG1       HSL  34 -14.582   4.495   7.131
  246   2HG   HSL  34          HG2       HSL  34 -14.390   3.912   8.798
  247    H    HSL  34           HN       HSL  34 -12.790   0.840   5.490
  248    HA   HSL  34           HA       HSL  34 -13.175   0.948   8.163
  249   1HB   HSL  34          HB1       HSL  34 -12.828   3.303   6.415
  250   2HB   HSL  34          HB2       HSL  34 -12.420   3.085   8.120
  Start of MODEL    4
    1   1H    ALA   1           HT1      ALA   1   0.480   3.606 -13.921
    2   2H    ALA   1           HT2      ALA   1   1.805   3.759 -12.882
    3   3H    ALA   1           HT3      ALA   1   0.314   4.483 -12.488
    4    HA   ALA   1           HA       ALA   1  -0.739   2.314 -12.344
    5   1HB   ALA   1          HB1       ALA   1   0.600   0.271 -12.442
    6   2HB   ALA   1          HB2       ALA   1   2.044   1.229 -12.830
    7   3HB   ALA   1          HB3       ALA   1   0.684   1.183 -13.946
    8    H    CYS   2           HN       CYS   2  -1.148   3.200 -10.451
    9    HA   CYS   2           HA       CYS   2   0.782   3.434  -8.306
   10   1HB   CYS   2          HB2       CYS   2  -1.112   4.100  -6.956
   11   2HB   CYS   2          HB1       CYS   2  -1.284   4.837  -8.545
   12    H    GLY   3           HN       GLY   3   0.682   2.272  -6.356
   13   1HA   GLY   3          HA2       GLY   3   0.335  -0.510  -6.453
   14   2HA   GLY   3          HA1       GLY   3   0.453   0.471  -4.997
   15    H    ILE   4           HN       ILE   4  -1.320  -1.805  -5.786
   16    HA   ILE   4           HA       ILE   4  -3.905  -0.570  -5.100
   17    HB   ILE   4           HB       ILE   4  -5.038  -2.347  -6.420
   18   1HG1  ILE   4          HG12      ILE   4  -2.261  -2.913  -7.504
   19   2HG1  ILE   4          HG11      ILE   4  -3.119  -3.988  -6.400
   20   1HG2  ILE   4          HG21      ILE   4  -4.701  -0.105  -7.324
   21   2HG2  ILE   4          HG22      ILE   4  -4.731  -1.347  -8.561
   22   3HG2  ILE   4          HG23      ILE   4  -3.186  -0.631  -8.072
   23   1HD1  ILE   4          HD11      ILE   4  -3.925  -3.275  -9.203
   24   2HD1  ILE   4          HD12      ILE   4  -4.904  -4.241  -8.086
   25   3HD1  ILE   4          HD13      ILE   4  -3.317  -4.809  -8.592
   26    H    LEU   5           HN       LEU   5  -5.438  -2.449  -4.601
   27    HA   LEU   5           HA       LEU   5  -5.058  -2.867  -1.954
   28   1HB   LEU   5          HB2       LEU   5  -7.077  -4.175  -1.964
   29   2HB   LEU   5          HB1       LEU   5  -7.211  -2.843  -3.091
   30    HG   LEU   5           HG       LEU   5  -6.500  -5.610  -4.054
   31   1HD1  LEU   5          HD11      LEU   5  -8.601  -5.780  -2.846
   32   2HD1  LEU   5          HD12      LEU   5  -8.789  -5.981  -4.583
   33   3HD1  LEU   5          HD13      LEU   5  -9.259  -4.459  -3.828
   34   1HD2  LEU   5          HD21      LEU   5  -7.635  -4.643  -6.127
   35   2HD2  LEU   5          HD22      LEU   5  -6.030  -4.067  -5.740
   36   3HD2  LEU   5          HD23      LEU   5  -7.438  -3.061  -5.371
   37    H    HIS   6           HN       HIS   6  -3.716  -4.833  -4.404
   38    HA   HIS   6           HA       HIS   6  -2.717  -6.625  -2.352
   39   1HB   HIS   6          HB2       HIS   6  -3.152  -8.623  -3.739
   40   2HB   HIS   6          HB1       HIS   6  -4.619  -7.816  -3.215
   41    HD1  HIS   6           HD1      HIS   6  -2.510  -8.301  -6.329
   42    HD2  HIS   6           HD2      HIS   6  -6.316  -7.104  -5.215
   43    HE1  HIS   6           HE1      HIS   6  -3.801  -8.035  -8.465
   44    HE2  HIS   6           HE2      HIS   6  -6.055  -7.167  -7.768
   45    H    ASP   7           HN       ASP   7  -1.559  -4.444  -3.600
   46    HA   ASP   7           HA       ASP   7   0.414  -5.652  -5.430
   47   1HB   ASP   7          HB2       ASP   7  -0.409  -3.436  -5.986
   48   2HB   ASP   7          HB1       ASP   7   0.151  -2.771  -4.451
   49    H    ASN   8           HN       ASN   8   1.944  -6.690  -4.593
   50    HA   ASN   8           HA       ASN   8   2.736  -6.669  -1.884
   51   1HB   ASN   8          HB2       ASN   8   4.186  -7.663  -4.352
   52   2HB   ASN   8          HB1       ASN   8   4.753  -7.945  -2.700
   53   1HD2  ASN   8          HD21      ASN   8   2.340  -8.768  -5.101
   54   2HD2  ASN   8          HD22      ASN   8   1.713 -10.118  -4.226
   55    H    CYS   9           HN       CYS   9   3.812  -5.222  -0.832
   56    HA   CYS   9           HA       CYS   9   5.433  -3.230  -2.180
   57   1HB   CYS   9          HB2       CYS   9   3.047  -2.567  -2.526
   58   2HB   CYS   9          HB1       CYS   9   2.834  -2.464  -0.786
   59    H    VAL  10           HN       VAL  10   6.752  -2.233  -0.922
   60    HA   VAL  10           HA       VAL  10   7.123  -3.198   1.808
   61    HB   VAL  10           HB       VAL  10   9.069  -2.880   0.358
   62   1HG1  VAL  10          HG11      VAL  10   9.815  -0.795  -0.421
   63   2HG1  VAL  10          HG12      VAL  10   8.595   0.093   0.457
   64   3HG1  VAL  10          HG13      VAL  10   8.140  -0.902  -0.924
   65   1HG2  VAL  10          HG21      VAL  10  10.486  -1.821   1.911
   66   2HG2  VAL  10          HG22      VAL  10   9.225  -2.590   2.863
   67   3HG2  VAL  10          HG23      VAL  10   9.197  -0.840   2.589
   68    H    TYR  11           HN       TYR  11   7.104  -1.970   3.614
   69    HA   TYR  11           HA       TYR  11   4.984  -0.029   3.716
   70   1HB   TYR  11          HB2       TYR  11   5.419  -1.691   5.498
   71   2HB   TYR  11          HB1       TYR  11   6.919  -0.871   5.902
   72    HD1  TYR  11           HD1      TYR  11   6.892   1.127   7.262
   73    HD2  TYR  11           HD2      TYR  11   3.232  -0.519   5.883
   74    HE1  TYR  11           HE1      TYR  11   5.643   2.590   8.775
   75    HE2  TYR  11           HE2      TYR  11   1.975   0.911   7.387
   76    HH   TYR  11           HH       TYR  11   2.667   2.153   9.756
   77    H    VAL  12           HN       VAL  12   5.843   1.427   2.227
   78    HA   VAL  12           HA       VAL  12   7.609   3.440   3.537
   79    HB   VAL  12           HB       VAL  12   8.338   4.138   1.246
   80   1HG1  VAL  12          HG11      VAL  12   9.823   2.866   2.675
   81   2HG1  VAL  12          HG12      VAL  12  10.003   2.380   0.994
   82   3HG1  VAL  12          HG13      VAL  12   9.113   1.346   2.110
   83   1HG2  VAL  12          HG21      VAL  12   8.203   2.384  -0.529
   84   2HG2  VAL  12          HG22      VAL  12   6.673   3.151  -0.189
   85   3HG2  VAL  12          HG23      VAL  12   7.008   1.543   0.429
   86    HA   PRO  13           HA       PRO  13   3.371   5.036   2.840
   87   1HB   PRO  13          HB2       PRO  13   3.819   6.442   5.378
   88   2HB   PRO  13          HB1       PRO  13   2.597   5.253   4.926
   89   1HG   PRO  13          HG2       PRO  13   4.609   4.729   6.655
   90   2HG   PRO  13          HG1       PRO  13   3.864   3.485   5.635
   91   1HD   PRO  13          HD2       PRO  13   6.458   4.954   5.268
   92   2HD   PRO  13          HD1       PRO  13   6.040   3.260   5.048
   93    H    ALA  14           HN       ALA  14   6.268   6.663   3.971
   94    HA   ALA  14           HA       ALA  14   5.438   9.329   3.553
   95   1HB   ALA  14          HB1       ALA  14   7.287   8.702   5.004
   96   2HB   ALA  14          HB2       ALA  14   7.797   9.893   3.814
   97   3HB   ALA  14          HB3       ALA  14   8.246   8.187   3.620
   98    H    GLN  15           HN       GLN  15   6.810   6.872   1.533
   99    HA   GLN  15           HA       GLN  15   6.448   8.653  -0.838
  100   1HB   GLN  15          HB2       GLN  15   8.540   6.484  -0.382
  101   2HB   GLN  15          HB1       GLN  15   8.313   7.416  -1.878
  102   1HG   GLN  15          HG2       GLN  15   8.952   9.469  -0.714
  103   2HG   GLN  15          HG1       GLN  15   9.127   8.575   0.802
  104   1HE2  GLN  15          HE21      GLN  15  10.514   9.204  -2.344
  105   2HE2  GLN  15          HE22      GLN  15  12.035   8.467  -1.990
  106    H    ASN  16           HN       ASN  16   4.412   7.302   0.217
  107    HA   ASN  16           HA       ASN  16   4.095   4.620  -0.642
  108   1HB   ASN  16          HB2       ASN  16   2.748   5.701   1.109
  109   2HB   ASN  16          HB1       ASN  16   1.923   6.670  -0.069
  110   1HD2  ASN  16          HD21      ASN  16  -0.106   5.819   0.305
  111   2HD2  ASN  16          HD22      ASN  16  -0.492   4.167   0.005
  112    HA   PRO  17           HA       PRO  17   3.336   5.810  -4.935
  113   1HB   PRO  17          HB2       PRO  17   4.253   3.538  -6.015
  114   2HB   PRO  17          HB1       PRO  17   5.338   4.701  -5.251
  115   1HG   PRO  17          HG2       PRO  17   4.369   2.088  -4.214
  116   2HG   PRO  17          HG1       PRO  17   5.935   2.885  -3.995
  117   1HD   PRO  17          HD2       PRO  17   3.751   2.880  -2.193
  118   2HD   PRO  17          HD1       PRO  17   5.259   3.807  -2.092
  119    H    CYS  18           HN       CYS  18   1.563   4.315  -2.878
  120    HA   CYS  18           HA       CYS  18  -0.087   2.700  -4.651
  121   1HB   CYS  18          HB2       CYS  18   0.719   1.917  -2.381
  122   2HB   CYS  18          HB1       CYS  18  -0.403   3.046  -1.673
  123    H    CYS  19           HN       CYS  19  -2.228   3.060  -4.865
  124    HA   CYS  19           HA       CYS  19  -2.913   5.776  -5.283
  125   1HB   CYS  19          HB2       CYS  19  -4.273   3.155  -5.539
  126   2HB   CYS  19          HB1       CYS  19  -5.352   4.528  -5.348
  127    H    ARG  20           HN       ARG  20  -4.551   6.986  -4.465
  128    HA   ARG  20           HA       ARG  20  -4.374   7.393  -1.674
  129   1HB   ARG  20          HB2       ARG  20  -4.802   9.232  -3.099
  130   2HB   ARG  20          HB1       ARG  20  -6.230   8.465  -3.800
  131   1HG   ARG  20          HG2       ARG  20  -7.347   8.678  -1.530
  132   2HG   ARG  20          HG1       ARG  20  -5.915   9.567  -0.990
  133   1HD   ARG  20          HD2       ARG  20  -7.776  10.994  -1.632
  134   2HD   ARG  20          HD1       ARG  20  -6.346  11.299  -2.591
  135    HE   ARG  20           HE       ARG  20  -7.358  10.046  -4.436
  136   1HH1  ARG  20          HH11      ARG  20  -9.549  11.121  -1.892
  137   2HH1  ARG  20          HH12      ARG  20 -10.886  11.192  -2.959
  138   1HH2  ARG  20          HH21      ARG  20  -9.167  10.093  -5.779
  139   2HH2  ARG  20          HH22      ARG  20 -10.697  10.610  -5.152
  140    H    GLY  21           HN       GLY  21  -5.292   6.411  -0.109
  141   1HA   GLY  21          HA2       GLY  21  -7.206   5.649   1.045
  142   2HA   GLY  21          HA1       GLY  21  -7.966   5.142  -0.454
  143    H    LEU  22           HN       LEU  22  -4.743   4.378  -0.598
  144    HA   LEU  22           HA       LEU  22  -5.088   1.749   0.690
  145   1HB   LEU  22          HB2       LEU  22  -3.785   2.281  -1.987
  146   2HB   LEU  22          HB1       LEU  22  -3.855   0.738  -1.142
  147    HG   LEU  22           HG       LEU  22  -6.387   0.915  -1.360
  148   1HD1  LEU  22          HD11      LEU  22  -5.543   3.045  -3.292
  149   2HD1  LEU  22          HD12      LEU  22  -6.742   3.152  -2.029
  150   3HD1  LEU  22          HD13      LEU  22  -7.049   2.173  -3.421
  151   1HD2  LEU  22          HD21      LEU  22  -6.344  -0.120  -3.496
  152   2HD2  LEU  22          HD22      LEU  22  -4.927  -0.638  -2.595
  153   3HD2  LEU  22          HD23      LEU  22  -4.774   0.586  -3.863
  154    H    GLN  23           HN       GLN  23  -3.417   0.971   1.738
  155    HA   GLN  23           HA       GLN  23  -1.036   2.737   2.015
  156   1HB   GLN  23          HB2       GLN  23  -2.402   3.022   3.940
  157   2HB   GLN  23          HB1       GLN  23  -2.646   1.292   4.139
  158   1HG   GLN  23          HG2       GLN  23  -0.197   1.074   4.649
  159   2HG   GLN  23          HG1       GLN  23  -0.049   2.831   4.497
  160   1HE2  GLN  23          HE21      GLN  23  -0.862   4.138   6.150
  161   2HE2  GLN  23          HE22      GLN  23  -1.328   3.459   7.668
  162    H    CYS  24           HN       CYS  24   0.723   1.844   1.502
  163    HA   CYS  24           HA       CYS  24   1.121  -0.964   1.094
  164   1HB   CYS  24          HB2       CYS  24   2.923   1.416   1.120
  165   2HB   CYS  24          HB1       CYS  24   3.586  -0.212   1.038
  166    H    ARG  25           HN       ARG  25   0.661  -2.108   2.832
  167    HA   ARG  25           HA       ARG  25   2.243  -1.591   5.270
  168   1HB   ARG  25          HB2       ARG  25  -0.195  -1.903   5.489
  169   2HB   ARG  25          HB1       ARG  25  -0.054  -3.533   4.852
  170   1HG   ARG  25          HG2       ARG  25   1.617  -2.741   7.251
  171   2HG   ARG  25          HG1       ARG  25  -0.111  -2.983   7.443
  172   1HD   ARG  25          HD2       ARG  25   1.584  -5.086   6.119
  173   2HD   ARG  25          HD1       ARG  25   1.430  -4.960   7.857
  174    HE   ARG  25           HE       ARG  25  -1.146  -4.955   7.084
  175   1HH1  ARG  25          HH11      ARG  25   1.534  -7.096   6.251
  176   2HH1  ARG  25          HH12      ARG  25   0.504  -8.457   6.077
  177   1HH2  ARG  25          HH21      ARG  25  -2.454  -6.760   6.847
  178   2HH2  ARG  25          HH22      ARG  25  -1.762  -8.287   6.413
  179    H    TYR  26           HN       TYR  26   3.358  -3.237   6.228
  180    HA   TYR  26           HA       TYR  26   5.303  -4.436   4.835
  181   1HB   TYR  26          HB2       TYR  26   4.050  -5.569   7.359
  182   2HB   TYR  26          HB1       TYR  26   5.656  -5.979   6.742
  183    HD1  TYR  26           HD1      TYR  26   7.524  -4.459   7.018
  184    HD2  TYR  26           HD2      TYR  26   3.601  -3.344   8.321
  185    HE1  TYR  26           HE1      TYR  26   8.466  -2.591   8.291
  186    HE2  TYR  26           HE2      TYR  26   4.554  -1.482   9.580
  187    HH   TYR  26           HH       TYR  26   7.067  -1.056  10.662
  188    H    GLY  27           HN       GLY  27   4.804  -5.369   2.989
  189   1HA   GLY  27          HA2       GLY  27   4.706  -7.751   2.253
  190   2HA   GLY  27          HA1       GLY  27   3.135  -7.851   3.032
  191    H    LYS  28           HN       LYS  28   1.818  -5.681   2.361
  192    HA   LYS  28           HA       LYS  28   2.030  -5.044  -0.450
  193   1HB   LYS  28          HB2       LYS  28   0.037  -6.081  -1.233
  194   2HB   LYS  28          HB1       LYS  28   1.004  -7.335  -0.481
  195   1HG   LYS  28          HG2       LYS  28  -0.382  -7.449   1.402
  196   2HG   LYS  28          HG1       LYS  28  -1.224  -5.937   1.025
  197   1HD   LYS  28          HD2       LYS  28  -2.160  -6.968  -0.958
  198   2HD   LYS  28          HD1       LYS  28  -1.388  -8.500  -0.595
  199   1HE   LYS  28          HE2       LYS  28  -3.420  -7.058   1.138
  200   2HE   LYS  28          HE1       LYS  28  -3.755  -8.395   0.043
  201   1HZ   LYS  28          HZ1       LYS  28  -2.114  -8.468   2.512
  202   2HZ   LYS  28          HZ2       LYS  28  -2.091  -9.724   1.364
  203   3HZ   LYS  28          HZ3       LYS  28  -3.526  -9.315   2.150
  204    H    CYS  29           HN       CYS  29   0.368  -3.694  -1.203
  205    HA   CYS  29           HA       CYS  29  -0.452  -1.821   0.809
  206   1HB   CYS  29          HB2       CYS  29   0.361  -1.137  -1.454
  207   2HB   CYS  29          HB1       CYS  29  -1.110  -1.759  -2.133
  208    H    LEU  30           HN       LEU  30  -2.346  -1.536   1.647
  209    HA   LEU  30           HA       LEU  30  -4.570  -3.258   0.692
  210   1HB   LEU  30          HB2       LEU  30  -5.272  -3.417   3.112
  211   2HB   LEU  30          HB1       LEU  30  -3.835  -4.293   2.636
  212    HG   LEU  30           HG       LEU  30  -2.476  -2.317   3.594
  213   1HD1  LEU  30          HD11      LEU  30  -3.846  -1.285   5.548
  214   2HD1  LEU  30          HD12      LEU  30  -5.244  -1.596   4.522
  215   3HD1  LEU  30          HD13      LEU  30  -3.920  -0.576   3.952
  216   1HD2  LEU  30          HD21      LEU  30  -2.568  -3.229   5.812
  217   2HD2  LEU  30          HD22      LEU  30  -2.619  -4.533   4.632
  218   3HD2  LEU  30          HD23      LEU  30  -4.098  -4.035   5.475
  219    H    VAL  31           HN       VAL  31  -6.561  -2.513   0.898
  220    HA   VAL  31           HA       VAL  31  -6.875   0.323   0.477
  221    HB   VAL  31           HB       VAL  31  -9.350  -0.249   0.354
  222   1HG1  VAL  31          HG11      VAL  31  -7.280  -1.485  -1.422
  223   2HG1  VAL  31          HG12      VAL  31  -8.314  -0.086  -1.690
  224   3HG1  VAL  31          HG13      VAL  31  -9.000  -1.704  -1.741
  225   1HG2  VAL  31          HG21      VAL  31  -9.320  -2.283   1.803
  226   2HG2  VAL  31          HG22      VAL  31  -8.341  -3.105   0.590
  227   3HG2  VAL  31          HG23      VAL  31  -9.965  -2.580   0.206
  228    H    GLN  32           HN       GLN  32  -6.239   1.313   2.261
  229    HA   GLN  32           HA       GLN  32  -7.229   0.794   4.879
  230   1HB   GLN  32          HB2       GLN  32  -6.226   2.886   5.523
  231   2HB   GLN  32          HB1       GLN  32  -5.154   2.021   4.419
  232   1HG   GLN  32          HG2       GLN  32  -5.845   3.449   2.604
  233   2HG   GLN  32          HG1       GLN  32  -6.923   4.370   3.632
  234   1HE2  GLN  32          HE21      GLN  32  -5.976   5.664   5.287
  235   2HE2  GLN  32          HE22      GLN  32  -4.361   6.221   5.091
  236    H    VAL  33           HN       VAL  33  -9.144   1.039   5.581
  237    HA   VAL  33           HA       VAL  33 -11.182   2.490   4.068
  238    HB   VAL  33           HB       VAL  33 -11.482   1.047   6.732
  239   1HG1  VAL  33          HG11      VAL  33 -13.385   2.419   6.375
  240   2HG1  VAL  33          HG12      VAL  33 -13.846   0.811   5.856
  241   3HG1  VAL  33          HG13      VAL  33 -13.452   2.031   4.649
  242   1HG2  VAL  33          HG21      VAL  33 -12.238  -0.863   5.448
  243   2HG2  VAL  33          HG22      VAL  33 -10.562  -0.494   5.073
  244   3HG2  VAL  33          HG23      VAL  33 -11.847  -0.051   3.935
  245   1HG   HSL  34          HG1       HSL  34  -6.797   5.335   9.147
  246   2HG   HSL  34          HG2       HSL  34  -8.152   6.223   9.875
  247    H    HSL  34           HN       HSL  34  -8.935   3.125   6.455
  248    HA   HSL  34           HA       HSL  34 -10.444   5.576   7.641
  249   1HB   HSL  34          HB1       HSL  34  -8.162   3.803   8.253
  250   2HB   HSL  34          HB2       HSL  34  -9.412   4.454   9.319
  Start of MODEL    5
    1   1H    ALA   1           HT1      ALA   1   3.718   1.781 -13.013
    2   2H    ALA   1           HT2      ALA   1   4.178   1.912 -11.391
    3   3H    ALA   1           HT3      ALA   1   3.400   3.210 -12.172
    4    HA   ALA   1           HA       ALA   1   1.404   1.879 -12.471
    5   1HB   ALA   1          HB1       ALA   1   2.515  -0.281 -12.572
    6   2HB   ALA   1          HB2       ALA   1   1.212  -0.315 -11.389
    7   3HB   ALA   1          HB3       ALA   1   2.902  -0.204 -10.856
    8    H    CYS   2           HN       CYS   2  -0.231   2.076 -11.061
    9    HA   CYS   2           HA       CYS   2   0.397   3.337  -8.465
   10   1HB   CYS   2          HB2       CYS   2  -1.327   4.290 -10.004
   11   2HB   CYS   2          HB1       CYS   2  -2.332   2.873  -9.738
   12    H    GLY   3           HN       GLY   3   0.496   2.202  -6.730
   13   1HA   GLY   3          HA2       GLY   3   0.235  -0.547  -6.563
   14   2HA   GLY   3          HA1       GLY   3   0.261   0.521  -5.197
   15    H    ILE   4           HN       ILE   4  -1.450  -1.782  -6.549
   16    HA   ILE   4           HA       ILE   4  -4.142  -0.739  -6.098
   17    HB   ILE   4           HB       ILE   4  -4.897  -3.008  -6.838
   18   1HG1  ILE   4          HG12      ILE   4  -1.961  -3.476  -7.351
   19   2HG1  ILE   4          HG11      ILE   4  -2.882  -4.317  -6.091
   20   1HG2  ILE   4          HG21      ILE   4  -2.982  -1.669  -8.766
   21   2HG2  ILE   4          HG22      ILE   4  -4.624  -1.123  -8.396
   22   3HG2  ILE   4          HG23      ILE   4  -4.380  -2.686  -9.151
   23   1HD1  ILE   4          HD11      ILE   4  -4.288  -5.227  -7.956
   24   2HD1  ILE   4          HD12      ILE   4  -2.600  -5.728  -7.937
   25   3HD1  ILE   4          HD13      ILE   4  -3.127  -4.502  -9.082
   26    H    LEU   5           HN       LEU   5  -5.622  -2.374  -5.077
   27    HA   LEU   5           HA       LEU   5  -5.120  -1.952  -2.325
   28   1HB   LEU   5          HB2       LEU   5  -7.341  -2.878  -1.991
   29   2HB   LEU   5          HB1       LEU   5  -7.287  -1.707  -3.284
   30    HG   LEU   5           HG       LEU   5  -6.976  -4.037  -4.711
   31   1HD1  LEU   5          HD11      LEU   5  -7.270  -5.484  -2.778
   32   2HD1  LEU   5          HD12      LEU   5  -8.635  -5.606  -3.864
   33   3HD1  LEU   5          HD13      LEU   5  -8.790  -4.677  -2.378
   34   1HD2  LEU   5          HD21      LEU   5  -9.606  -2.757  -3.938
   35   2HD2  LEU   5          HD22      LEU   5  -9.280  -3.772  -5.341
   36   3HD2  LEU   5          HD23      LEU   5  -8.519  -2.191  -5.219
   37    H    HIS   6           HN       HIS   6  -3.960  -4.383  -4.177
   38    HA   HIS   6           HA       HIS   6  -3.017  -5.739  -1.806
   39   1HB   HIS   6          HB2       HIS   6  -3.659  -7.982  -2.623
   40   2HB   HIS   6          HB1       HIS   6  -5.041  -6.987  -2.205
   41    HD1  HIS   6           HD1      HIS   6  -3.125  -7.726  -5.457
   42    HD2  HIS   6           HD2      HIS   6  -6.993  -7.304  -4.000
   43    HE1  HIS   6           HE1      HIS   6  -4.623  -8.095  -7.415
   44    HE2  HIS   6           HE2      HIS   6  -6.959  -7.980  -6.488
   45    H    ASP   7           HN       ASP   7  -1.717  -4.050  -3.381
   46    HA   ASP   7           HA       ASP   7  -0.052  -5.780  -5.146
   47   1HB   ASP   7          HB2       ASP   7  -0.871  -3.688  -6.100
   48   2HB   ASP   7          HB1       ASP   7  -0.061  -2.733  -4.914
   49    H    ASN   8           HN       ASN   8   1.837  -6.370  -4.590
   50    HA   ASN   8           HA       ASN   8   2.828  -6.194  -2.017
   51   1HB   ASN   8          HB2       ASN   8   4.820  -7.248  -2.774
   52   2HB   ASN   8          HB1       ASN   8   3.493  -7.863  -3.742
   53   1HD2  ASN   8          HD21      ASN   8   3.335  -5.508  -5.558
   54   2HD2  ASN   8          HD22      ASN   8   4.749  -5.610  -6.494
   55    H    CYS   9           HN       CYS   9   3.997  -4.864  -0.919
   56    HA   CYS   9           HA       CYS   9   5.870  -2.990  -1.949
   57   1HB   CYS   9          HB2       CYS   9   4.683  -0.912  -1.313
   58   2HB   CYS   9          HB1       CYS   9   3.835  -1.753  -2.591
   59    H    VAL  10           HN       VAL  10   7.109  -2.165  -0.427
   60    HA   VAL  10           HA       VAL  10   6.916  -3.327   2.254
   61    HB   VAL  10           HB       VAL  10   9.082  -2.170   2.667
   62   1HG1  VAL  10          HG11      VAL  10   9.036  -4.452   1.775
   63   2HG1  VAL  10          HG12      VAL  10  10.412  -3.528   1.185
   64   3HG1  VAL  10          HG13      VAL  10   9.032  -3.808   0.123
   65   1HG2  VAL  10          HG21      VAL  10   8.988  -0.227   1.327
   66   2HG2  VAL  10          HG22      VAL  10   8.662  -1.125  -0.153
   67   3HG2  VAL  10          HG23      VAL  10  10.231  -1.229   0.623
   68    H    TYR  11           HN       TYR  11   7.087  -2.095   4.121
   69    HA   TYR  11           HA       TYR  11   5.021  -0.072   4.189
   70   1HB   TYR  11          HB2       TYR  11   5.477  -1.844   5.926
   71   2HB   TYR  11          HB1       TYR  11   6.821  -0.908   6.497
   72    HD1  TYR  11           HD1      TYR  11   6.312   1.473   7.368
   73    HD2  TYR  11           HD2      TYR  11   3.285  -1.437   6.624
   74    HE1  TYR  11           HE1      TYR  11   4.756   2.731   8.758
   75    HE2  TYR  11           HE2      TYR  11   1.726  -0.176   8.014
   76    HH   TYR  11           HH       TYR  11   2.134   1.610  10.092
   77    H    VAL  12           HN       VAL  12   6.149   1.332   2.732
   78    HA   VAL  12           HA       VAL  12   7.757   3.276   4.270
   79    HB   VAL  12           HB       VAL  12   9.346   2.079   2.881
   80   1HG1  VAL  12          HG11      VAL  12   7.628   1.473   1.064
   81   2HG1  VAL  12          HG12      VAL  12   9.257   1.892   0.573
   82   3HG1  VAL  12          HG13      VAL  12   7.972   3.068   0.392
   83   1HG2  VAL  12          HG21      VAL  12   8.923   4.801   1.664
   84   2HG2  VAL  12          HG22      VAL  12  10.415   3.942   1.951
   85   3HG2  VAL  12          HG23      VAL  12   9.508   4.582   3.313
   86    HA   PRO  13           HA       PRO  13   3.938   5.237   2.735
   87   1HB   PRO  13          HB2       PRO  13   4.739   7.096   4.923
   88   2HB   PRO  13          HB1       PRO  13   3.192   6.310   4.583
   89   1HG   PRO  13          HG2       PRO  13   4.765   5.520   6.588
   90   2HG   PRO  13          HG1       PRO  13   3.795   4.357   5.663
   91   1HD   PRO  13          HD2       PRO  13   6.733   4.952   5.506
   92   2HD   PRO  13          HD1       PRO  13   5.848   3.413   5.406
   93    H    ALA  14           HN       ALA  14   6.998   6.655   3.717
   94    HA   ALA  14           HA       ALA  14   6.933   9.117   2.488
   95   1HB   ALA  14          HB1       ALA  14   8.693   8.352   3.983
   96   2HB   ALA  14          HB2       ALA  14   9.373   9.022   2.505
   97   3HB   ALA  14          HB3       ALA  14   9.319   7.264   2.748
   98    H    GLN  15           HN       GLN  15   7.615   5.968   1.136
   99    HA   GLN  15           HA       GLN  15   7.706   7.150  -1.596
  100   1HB   GLN  15          HB2       GLN  15   9.131   4.676  -0.550
  101   2HB   GLN  15          HB1       GLN  15   9.203   5.317  -2.207
  102   1HG   GLN  15          HG2       GLN  15  10.324   7.332  -1.388
  103   2HG   GLN  15          HG1       GLN  15  10.219   6.732   0.274
  104   1HE2  GLN  15          HE21      GLN  15  11.805   6.395  -2.820
  105   2HE2  GLN  15          HE22      GLN  15  13.068   5.372  -2.236
  106    H    ASN  16           HN       ASN  16   5.359   6.541  -0.326
  107    HA   ASN  16           HA       ASN  16   4.461   3.903  -0.970
  108   1HB   ASN  16          HB2       ASN  16   3.435   5.180   0.812
  109   2HB   ASN  16          HB1       ASN  16   2.847   6.388  -0.307
  110   1HD2  ASN  16          HD21      ASN  16   2.374   3.255   1.062
  111   2HD2  ASN  16          HD22      ASN  16   0.892   2.907   0.248
  112    HA   PRO  17           HA       PRO  17   3.577   5.131  -5.229
  113   1HB   PRO  17          HB2       PRO  17   4.090   2.728  -6.292
  114   2HB   PRO  17          HB1       PRO  17   5.373   3.748  -5.643
  115   1HG   PRO  17          HG2       PRO  17   4.212   1.279  -4.517
  116   2HG   PRO  17          HG1       PRO  17   5.830   1.966  -4.309
  117   1HD   PRO  17          HD2       PRO  17   3.548   2.189  -2.562
  118   2HD   PRO  17          HD1       PRO  17   5.200   2.790  -2.349
  119    H    CYS  18           HN       CYS  18   1.714   3.835  -3.027
  120    HA   CYS  18           HA       CYS  18  -0.061   2.249  -4.670
  121   1HB   CYS  18          HB2       CYS  18   0.710   1.548  -2.372
  122   2HB   CYS  18          HB1       CYS  18  -0.313   2.814  -1.715
  123    H    CYS  19           HN       CYS  19  -2.179   2.657  -4.918
  124    HA   CYS  19           HA       CYS  19  -2.875   5.334  -5.474
  125   1HB   CYS  19          HB2       CYS  19  -4.667   2.918  -5.082
  126   2HB   CYS  19          HB1       CYS  19  -5.176   4.440  -5.803
  127    H    ARG  20           HN       ARG  20  -4.147   6.771  -4.530
  128    HA   ARG  20           HA       ARG  20  -3.776   7.048  -1.731
  129   1HB   ARG  20          HB2       ARG  20  -5.553   8.525  -3.693
  130   2HB   ARG  20          HB1       ARG  20  -5.405   8.998  -1.986
  131   1HG   ARG  20          HG2       ARG  20  -3.032   9.417  -2.271
  132   2HG   ARG  20          HG1       ARG  20  -3.102   8.863  -3.953
  133   1HD   ARG  20          HD2       ARG  20  -4.630  10.661  -4.505
  134   2HD   ARG  20          HD1       ARG  20  -4.622  11.222  -2.815
  135    HE   ARG  20           HE       ARG  20  -1.980  11.266  -3.522
  136   1HH1  ARG  20          HH11      ARG  20  -4.895  12.625  -4.961
  137   2HH1  ARG  20          HH12      ARG  20  -4.082  14.030  -5.514
  138   1HH2  ARG  20          HH21      ARG  20  -0.944  13.141  -4.258
  139   2HH2  ARG  20          HH22      ARG  20  -1.842  14.342  -5.125
  140    H    GLY  21           HN       GLY  21  -4.919   6.642  -0.047
  141   1HA   GLY  21          HA2       GLY  21  -6.870   6.098   1.138
  142   2HA   GLY  21          HA1       GLY  21  -7.642   5.484  -0.314
  143    H    LEU  22           HN       LEU  22  -4.938   4.181  -0.933
  144    HA   LEU  22           HA       LEU  22  -5.409   1.723   0.614
  145   1HB   LEU  22          HB2       LEU  22  -3.893   2.272  -1.950
  146   2HB   LEU  22          HB1       LEU  22  -3.946   0.726  -1.133
  147    HG   LEU  22           HG       LEU  22  -6.259   0.463  -1.592
  148   1HD1  LEU  22          HD11      LEU  22  -7.330   2.150  -3.189
  149   2HD1  LEU  22          HD12      LEU  22  -6.112   3.284  -2.612
  150   3HD1  LEU  22          HD13      LEU  22  -7.262   2.551  -1.488
  151   1HD2  LEU  22          HD21      LEU  22  -6.127   0.027  -3.842
  152   2HD2  LEU  22          HD22      LEU  22  -4.458  -0.024  -3.304
  153   3HD2  LEU  22          HD23      LEU  22  -5.058   1.376  -4.148
  154    H    GLN  23           HN       GLN  23  -3.965   0.897   1.915
  155    HA   GLN  23           HA       GLN  23  -1.554   2.564   2.459
  156   1HB   GLN  23          HB2       GLN  23  -3.201   0.942   4.439
  157   2HB   GLN  23          HB1       GLN  23  -1.816   1.972   4.825
  158   1HG   GLN  23          HG2       GLN  23  -4.527   2.813   3.831
  159   2HG   GLN  23          HG1       GLN  23  -3.826   3.105   5.419
  160   1HE2  GLN  23          HE21      GLN  23  -4.897   5.010   3.446
  161   2HE2  GLN  23          HE22      GLN  23  -3.581   6.073   3.098
  162    H    CYS  24           HN       CYS  24   0.297   1.736   2.572
  163    HA   CYS  24           HA       CYS  24   0.631  -1.021   1.704
  164   1HB   CYS  24          HB2       CYS  24   2.347   1.369   1.829
  165   2HB   CYS  24          HB1       CYS  24   3.154  -0.186   1.909
  166    H    ARG  25           HN       ARG  25   0.499  -2.505   3.091
  167    HA   ARG  25           HA       ARG  25   1.773  -2.307   5.742
  168   1HB   ARG  25          HB2       ARG  25   0.618  -4.765   4.373
  169   2HB   ARG  25          HB1       ARG  25   0.936  -4.542   6.095
  170   1HG   ARG  25          HG2       ARG  25  -1.158  -3.078   4.453
  171   2HG   ARG  25          HG1       ARG  25  -1.433  -4.434   5.544
  172   1HD   ARG  25          HD2       ARG  25  -0.866  -3.189   7.439
  173   2HD   ARG  25          HD1       ARG  25  -0.192  -1.844   6.512
  174    HE   ARG  25           HE       ARG  25  -2.701  -1.800   5.632
  175   1HH1  ARG  25          HH11      ARG  25  -1.511  -2.115   8.943
  176   2HH1  ARG  25          HH12      ARG  25  -2.815  -1.209   9.590
  177   1HH2  ARG  25          HH21      ARG  25  -4.396  -0.622   6.533
  178   2HH2  ARG  25          HH22      ARG  25  -4.459  -0.355   8.244
  179    H    TYR  26           HN       TYR  26   3.404  -3.894   6.302
  180    HA   TYR  26           HA       TYR  26   5.579  -3.575   4.452
  181   1HB   TYR  26          HB2       TYR  26   5.715  -3.619   6.995
  182   2HB   TYR  26          HB1       TYR  26   5.573  -5.361   6.913
  183    HD1  TYR  26           HD1      TYR  26   7.802  -2.501   6.334
  184    HD2  TYR  26           HD2      TYR  26   7.391  -6.723   5.920
  185    HE1  TYR  26           HE1      TYR  26  10.185  -2.669   5.972
  186    HE2  TYR  26           HE2      TYR  26   9.801  -6.896   5.526
  187    HH   TYR  26           HH       TYR  26  11.954  -4.768   6.376
  188    H    GLY  27           HN       GLY  27   4.717  -4.549   2.646
  189   1HA   GLY  27          HA2       GLY  27   5.657  -6.718   1.642
  190   2HA   GLY  27          HA1       GLY  27   4.442  -7.504   2.646
  191    H    LYS  28           HN       LYS  28   2.512  -5.313   2.306
  192    HA   LYS  28           HA       LYS  28   1.822  -5.322  -0.514
  193   1HB   LYS  28          HB2       LYS  28  -0.231  -6.603  -0.277
  194   2HB   LYS  28          HB1       LYS  28   1.167  -7.573   0.184
  195   1HG   LYS  28          HG2       LYS  28   0.687  -7.383   2.515
  196   2HG   LYS  28          HG1       LYS  28  -0.532  -6.145   2.255
  197   1HD   LYS  28          HD2       LYS  28  -1.614  -8.202   2.715
  198   2HD   LYS  28          HD1       LYS  28  -1.949  -7.738   1.049
  199   1HE   LYS  28          HE2       LYS  28  -0.290  -9.345   0.247
  200   2HE   LYS  28          HE1       LYS  28   0.158  -9.742   1.916
  201   1HZ   LYS  28          HZ1       LYS  28  -1.303 -11.361   0.960
  202   2HZ   LYS  28          HZ2       LYS  28  -2.499 -10.211   0.653
  203   3HZ   LYS  28          HZ3       LYS  28  -2.078 -10.604   2.256
  204    H    CYS  29           HN       CYS  29   0.418  -3.861  -1.052
  205    HA   CYS  29           HA       CYS  29  -0.561  -2.026   0.968
  206   1HB   CYS  29          HB2       CYS  29   0.375  -1.240  -1.254
  207   2HB   CYS  29          HB1       CYS  29  -1.016  -1.891  -2.012
  208    H    LEU  30           HN       LEU  30  -2.583  -1.698   1.488
  209    HA   LEU  30           HA       LEU  30  -4.678  -3.409   0.328
  210   1HB   LEU  30          HB2       LEU  30  -4.049  -3.136   3.274
  211   2HB   LEU  30          HB1       LEU  30  -5.487  -3.927   2.625
  212    HG   LEU  30           HG       LEU  30  -2.643  -4.883   2.163
  213   1HD1  LEU  30          HD11      LEU  30  -3.289  -5.064   4.518
  214   2HD1  LEU  30          HD12      LEU  30  -3.150  -6.627   3.724
  215   3HD1  LEU  30          HD13      LEU  30  -4.747  -5.953   4.042
  216   1HD2  LEU  30          HD21      LEU  30  -3.993  -5.640   0.362
  217   2HD2  LEU  30          HD22      LEU  30  -5.359  -5.995   1.421
  218   3HD2  LEU  30          HD23      LEU  30  -3.901  -6.969   1.496
  219    H    VAL  31           HN       VAL  31  -6.552  -2.543   0.180
  220    HA   VAL  31           HA       VAL  31  -6.806   0.283   0.406
  221    HB   VAL  31           HB       VAL  31  -8.006  -0.897  -1.309
  222   1HG1  VAL  31          HG11      VAL  31  -9.830  -2.093   0.777
  223   2HG1  VAL  31          HG12      VAL  31  -8.475  -2.987   0.081
  224   3HG1  VAL  31          HG13      VAL  31  -9.770  -2.406  -0.947
  225   1HG2  VAL  31          HG21      VAL  31  -8.897   1.257  -0.348
  226   2HG2  VAL  31          HG22      VAL  31 -10.075   0.269   0.536
  227   3HG2  VAL  31          HG23      VAL  31 -10.036   0.241  -1.219
  228    H    GLN  32           HN       GLN  32  -6.945   1.331   2.153
  229    HA   GLN  32           HA       GLN  32  -8.119   0.149   4.573
  230   1HB   GLN  32          HB2       GLN  32  -6.012   1.418   4.641
  231   2HB   GLN  32          HB1       GLN  32  -6.831   2.893   4.155
  232   1HG   GLN  32          HG2       GLN  32  -7.584   1.298   6.642
  233   2HG   GLN  32          HG1       GLN  32  -6.319   2.519   6.630
  234   1HE2  GLN  32          HE21      GLN  32  -8.931   2.405   8.067
  235   2HE2  GLN  32          HE22      GLN  32  -9.711   3.881   7.625
  236    H    VAL  33           HN       VAL  33 -10.177   0.041   4.431
  237    HA   VAL  33           HA       VAL  33 -11.733   2.528   4.299
  238    HB   VAL  33           HB       VAL  33 -11.726   1.807   1.974
  239   1HG1  VAL  33          HG11      VAL  33 -12.949  -0.826   2.837
  240   2HG1  VAL  33          HG12      VAL  33 -11.243  -0.619   2.409
  241   3HG1  VAL  33          HG13      VAL  33 -12.497  -0.301   1.221
  242   1HG2  VAL  33          HG21      VAL  33 -14.425   1.068   3.117
  243   2HG2  VAL  33          HG22      VAL  33 -14.034   1.823   1.581
  244   3HG2  VAL  33          HG23      VAL  33 -13.823   2.735   3.067
  245   1HG   HSL  34          HG1       HSL  34 -14.253   2.605   9.859
  246   2HG   HSL  34          HG2       HSL  34 -14.444   0.856  10.102
  247    H    HSL  34           HN       HSL  34 -13.208   2.563   5.721
  248    HA   HSL  34           HA       HSL  34 -14.160  -0.123   7.000
  249   1HB   HSL  34          HB1       HSL  34 -12.771   0.622   8.629
  250   2HB   HSL  34          HB2       HSL  34 -12.894   2.305   8.106
  Start of MODEL    6
    1   1H    ALA   1           HT1      ALA   1   2.152   5.060 -13.062
    2   2H    ALA   1           HT2      ALA   1   2.938   4.059 -11.949
    3   3H    ALA   1           HT3      ALA   1   2.433   5.622 -11.495
    4    HA   ALA   1           HA       ALA   1   0.117   5.007 -11.823
    5   1HB   ALA   1          HB1       ALA   1   1.235   2.244 -12.380
    6   2HB   ALA   1          HB2       ALA   1   0.502   3.337 -13.549
    7   3HB   ALA   1          HB3       ALA   1  -0.484   2.667 -12.254
    8    H    CYS   2           HN       CYS   2  -1.104   4.175 -10.162
    9    HA   CYS   2           HA       CYS   2   0.453   3.880  -7.695
   10   1HB   CYS   2          HB2       CYS   2  -1.600   4.333  -6.575
   11   2HB   CYS   2          HB1       CYS   2  -1.302   5.549  -7.735
   12    H    GLY   3           HN       GLY   3   0.542   2.121  -6.545
   13   1HA   GLY   3          HA2       GLY   3  -0.091  -0.397  -7.507
   14   2HA   GLY   3          HA1       GLY   3   0.359  -0.006  -5.855
   15    H    ILE   4           HN       ILE   4  -1.538  -1.916  -6.804
   16    HA   ILE   4           HA       ILE   4  -4.190  -0.842  -6.054
   17    HB   ILE   4           HB       ILE   4  -5.003  -3.136  -6.736
   18   1HG1  ILE   4          HG12      ILE   4  -2.128  -3.441  -7.676
   19   2HG1  ILE   4          HG11      ILE   4  -2.909  -4.416  -6.425
   20   1HG2  ILE   4          HG21      ILE   4  -3.505  -1.606  -8.883
   21   2HG2  ILE   4          HG22      ILE   4  -5.080  -1.163  -8.209
   22   3HG2  ILE   4          HG23      ILE   4  -4.904  -2.671  -9.086
   23   1HD1  ILE   4          HD11      ILE   4  -4.509  -5.148  -8.253
   24   2HD1  ILE   4          HD12      ILE   4  -2.841  -5.700  -8.350
   25   3HD1  ILE   4          HD13      ILE   4  -3.385  -4.379  -9.378
   26    H    LEU   5           HN       LEU   5  -5.515  -2.245  -4.794
   27    HA   LEU   5           HA       LEU   5  -4.526  -2.278  -2.139
   28   1HB   LEU   5          HB2       LEU   5  -6.777  -3.106  -1.545
   29   2HB   LEU   5          HB1       LEU   5  -6.772  -1.684  -2.564
   30    HG   LEU   5           HG       LEU   5  -6.942  -4.183  -4.126
   31   1HD1  LEU   5          HD11      LEU   5  -9.231  -3.438  -2.319
   32   2HD1  LEU   5          HD12      LEU   5  -8.220  -4.886  -2.155
   33   3HD1  LEU   5          HD13      LEU   5  -9.215  -4.662  -3.587
   34   1HD2  LEU   5          HD21      LEU   5  -8.634  -1.695  -4.062
   35   2HD2  LEU   5          HD22      LEU   5  -8.624  -2.958  -5.288
   36   3HD2  LEU   5          HD23      LEU   5  -7.219  -1.932  -5.092
   37    H    HIS   6           HN       HIS   6  -3.647  -4.394  -4.285
   38    HA   HIS   6           HA       HIS   6  -2.901  -6.285  -2.256
   39   1HB   HIS   6          HB2       HIS   6  -3.721  -8.261  -3.609
   40   2HB   HIS   6          HB1       HIS   6  -4.976  -7.306  -2.842
   41    HD1  HIS   6           HD1      HIS   6  -3.657  -8.254  -6.213
   42    HD2  HIS   6           HD2      HIS   6  -6.741  -6.041  -4.553
   43    HE1  HIS   6           HE1      HIS   6  -5.218  -7.743  -8.105
   44    HE2  HIS   6           HE2      HIS   6  -7.003  -6.278  -7.106
   45    H    ASP   7           HN       ASP   7  -1.538  -4.371  -3.619
   46    HA   ASP   7           HA       ASP   7   0.261  -6.075  -5.295
   47   1HB   ASP   7          HB2       ASP   7  -0.816  -3.939  -6.289
   48   2HB   ASP   7          HB1       ASP   7   0.307  -3.031  -5.336
   49    H    ASN   8           HN       ASN   8   2.471  -5.727  -5.029
   50    HA   ASN   8           HA       ASN   8   3.058  -5.882  -2.220
   51   1HB   ASN   8          HB2       ASN   8   4.794  -6.263  -4.659
   52   2HB   ASN   8          HB1       ASN   8   5.339  -6.547  -3.000
   53   1HD2  ASN   8          HD21      ASN   8   5.062  -8.357  -5.334
   54   2HD2  ASN   8          HD22      ASN   8   4.066  -9.640  -4.746
   55    H    CYS   9           HN       CYS   9   4.125  -4.609  -1.003
   56    HA   CYS   9           HA       CYS   9   5.980  -2.698  -1.559
   57   1HB   CYS   9          HB2       CYS   9   4.676  -0.562  -1.297
   58   2HB   CYS   9          HB1       CYS   9   4.392  -1.377  -2.808
   59    H    VAL  10           HN       VAL  10   6.934  -2.360   0.219
   60    HA   VAL  10           HA       VAL  10   5.796  -3.369   2.705
   61    HB   VAL  10           HB       VAL  10   8.068  -2.939   3.643
   62   1HG1  VAL  10          HG11      VAL  10   7.560  -5.078   2.613
   63   2HG1  VAL  10          HG12      VAL  10   9.238  -4.596   2.398
   64   3HG1  VAL  10          HG13      VAL  10   8.112  -4.451   1.050
   65   1HG2  VAL  10          HG21      VAL  10   8.695  -0.949   2.321
   66   2HG2  VAL  10          HG22      VAL  10   8.723  -1.938   0.856
   67   3HG2  VAL  10          HG23      VAL  10   9.861  -2.245   2.152
   68    H    TYR  11           HN       TYR  11   7.143  -1.788   4.505
   69    HA   TYR  11           HA       TYR  11   5.256   0.219   4.981
   70   1HB   TYR  11          HB2       TYR  11   6.547   0.726   6.981
   71   2HB   TYR  11          HB1       TYR  11   6.403  -1.007   6.756
   72    HD1  TYR  11           HD1      TYR  11   8.667   1.630   7.433
   73    HD2  TYR  11           HD2      TYR  11   8.443  -2.220   5.586
   74    HE1  TYR  11           HE1      TYR  11  11.086   1.370   7.654
   75    HE2  TYR  11           HE2      TYR  11  10.861  -2.461   5.794
   76    HH   TYR  11           HH       TYR  11  12.913  -0.615   6.022
   77    H    VAL  12           HN       VAL  12   5.436   1.264   2.939
   78    HA   VAL  12           HA       VAL  12   7.342   3.538   3.100
   79    HB   VAL  12           HB       VAL  12   7.289   3.641   0.589
   80   1HG1  VAL  12          HG11      VAL  12   9.244   2.829   1.817
   81   2HG1  VAL  12          HG12      VAL  12   9.024   1.998   0.282
   82   3HG1  VAL  12          HG13      VAL  12   8.585   1.185   1.782
   83   1HG2  VAL  12          HG21      VAL  12   6.764   1.651  -0.658
   84   2HG2  VAL  12          HG22      VAL  12   5.322   2.133   0.202
   85   3HG2  VAL  12          HG23      VAL  12   6.296   0.788   0.788
   86    HA   PRO  13           HA       PRO  13   3.060   5.142   3.165
   87   1HB   PRO  13          HB2       PRO  13   4.059   6.880   5.297
   88   2HB   PRO  13          HB1       PRO  13   2.787   5.659   5.330
   89   1HG   PRO  13          HG2       PRO  13   5.163   5.397   6.627
   90   2HG   PRO  13          HG1       PRO  13   4.194   4.021   6.067
   91   1HD   PRO  13          HD2       PRO  13   6.626   5.270   4.823
   92   2HD   PRO  13          HD1       PRO  13   6.157   3.589   5.036
   93    H    ALA  14           HN       ALA  14   6.001   7.003   3.882
   94    HA   ALA  14           HA       ALA  14   5.128   9.442   2.775
   95   1HB   ALA  14          HB1       ALA  14   6.941   9.267   4.389
   96   2HB   ALA  14          HB2       ALA  14   7.471  10.123   2.946
   97   3HB   ALA  14          HB3       ALA  14   7.957   8.437   3.215
   98    H    GLN  15           HN       GLN  15   6.851   6.675   1.561
   99    HA   GLN  15           HA       GLN  15   6.854   7.821  -1.194
  100   1HB   GLN  15          HB2       GLN  15   8.388   5.473  -0.025
  101   2HB   GLN  15          HB1       GLN  15   8.548   6.135  -1.668
  102   1HG   GLN  15          HG2       GLN  15   9.445   8.204  -0.792
  103   2HG   GLN  15          HG1       GLN  15   9.189   7.660   0.874
  104   1HE2  GLN  15          HE21      GLN  15  10.566   6.084   1.751
  105   2HE2  GLN  15          HE22      GLN  15  12.058   5.690   0.973
  106    H    ASN  16           HN       ASN  16   4.476   7.004  -0.088
  107    HA   ASN  16           HA       ASN  16   3.788   4.320  -0.624
  108   1HB   ASN  16          HB2       ASN  16   2.509   5.797   0.849
  109   2HB   ASN  16          HB1       ASN  16   1.961   6.748  -0.516
  110   1HD2  ASN  16          HD21      ASN  16   0.314   5.411   1.386
  111   2HD2  ASN  16          HD22      ASN  16  -0.537   4.175   0.531
  112    HA   PRO  17           HA       PRO  17   3.593   4.949  -5.078
  113   1HB   PRO  17          HB2       PRO  17   4.165   2.422  -5.734
  114   2HB   PRO  17          HB1       PRO  17   5.378   3.473  -5.000
  115   1HG   PRO  17          HG2       PRO  17   3.804   1.275  -3.745
  116   2HG   PRO  17          HG1       PRO  17   5.488   1.758  -3.482
  117   1HD   PRO  17          HD2       PRO  17   3.272   2.484  -1.908
  118   2HD   PRO  17          HD1       PRO  17   4.912   3.123  -1.823
  119    H    CYS  18           HN       CYS  18   1.543   3.536  -2.911
  120    HA   CYS  18           HA       CYS  18  -0.138   2.059  -4.731
  121   1HB   CYS  18          HB2       CYS  18   0.424   1.324  -2.429
  122   2HB   CYS  18          HB1       CYS  18  -0.565   2.612  -1.787
  123    H    CYS  19           HN       CYS  19  -2.386   2.462  -4.822
  124    HA   CYS  19           HA       CYS  19  -3.002   5.117  -5.573
  125   1HB   CYS  19          HB2       CYS  19  -4.895   2.840  -4.966
  126   2HB   CYS  19          HB1       CYS  19  -5.303   4.314  -5.840
  127    H    ARG  20           HN       ARG  20  -3.848   6.738  -4.702
  128    HA   ARG  20           HA       ARG  20  -3.721   7.117  -1.925
  129   1HB   ARG  20          HB2       ARG  20  -3.551   8.912  -3.552
  130   2HB   ARG  20          HB1       ARG  20  -5.223   8.721  -4.046
  131   1HG   ARG  20          HG2       ARG  20  -4.499   9.350  -1.164
  132   2HG   ARG  20          HG1       ARG  20  -4.522  10.604  -2.400
  133   1HD   ARG  20          HD2       ARG  20  -6.854  10.089  -2.917
  134   2HD   ARG  20          HD1       ARG  20  -6.854   8.817  -1.736
  135    HE   ARG  20           HE       ARG  20  -6.667  10.334   0.036
  136   1HH1  ARG  20          HH11      ARG  20  -7.275  11.813  -3.108
  137   2HH1  ARG  20          HH12      ARG  20  -7.918  13.242  -2.421
  138   1HH2  ARG  20          HH21      ARG  20  -7.528  12.266   0.906
  139   2HH2  ARG  20          HH22      ARG  20  -8.065  13.524  -0.156
  140    H    GLY  21           HN       GLY  21  -4.941   6.473  -0.403
  141   1HA   GLY  21          HA2       GLY  21  -7.205   6.234   0.502
  142   2HA   GLY  21          HA1       GLY  21  -7.702   5.483  -1.009
  143    H    LEU  22           HN       LEU  22  -4.793   4.338  -0.899
  144    HA   LEU  22           HA       LEU  22  -5.416   2.042   0.902
  145   1HB   LEU  22          HB2       LEU  22  -3.805   2.012  -1.640
  146   2HB   LEU  22          HB1       LEU  22  -4.344   0.623  -0.694
  147    HG   LEU  22           HG       LEU  22  -6.157   2.479  -2.243
  148   1HD1  LEU  22          HD11      LEU  22  -5.095  -0.243  -2.939
  149   2HD1  LEU  22          HD12      LEU  22  -4.771   1.250  -3.784
  150   3HD1  LEU  22          HD13      LEU  22  -6.394   0.575  -3.781
  151   1HD2  LEU  22          HD21      LEU  22  -7.300   1.438  -0.353
  152   2HD2  LEU  22          HD22      LEU  22  -6.678  -0.153  -0.838
  153   3HD2  LEU  22          HD23      LEU  22  -7.810   0.710  -1.867
  154    H    GLN  23           HN       GLN  23  -3.599   0.969   1.750
  155    HA   GLN  23           HA       GLN  23  -1.189   2.690   2.085
  156   1HB   GLN  23          HB2       GLN  23  -2.778   1.300   4.275
  157   2HB   GLN  23          HB1       GLN  23  -1.201   2.056   4.524
  158   1HG   GLN  23          HG2       GLN  23  -3.661   3.505   3.594
  159   2HG   GLN  23          HG1       GLN  23  -3.160   3.396   5.263
  160   1HE2  GLN  23          HE21      GLN  23  -2.537   4.805   2.127
  161   2HE2  GLN  23          HE22      GLN  23  -1.402   5.953   2.672
  162    H    CYS  24           HN       CYS  24   0.632   1.762   2.036
  163    HA   CYS  24           HA       CYS  24   0.806  -1.075   1.441
  164   1HB   CYS  24          HB2       CYS  24   2.828   1.130   1.513
  165   2HB   CYS  24          HB1       CYS  24   3.253  -0.543   1.200
  166    H    ARG  25           HN       ARG  25   0.888  -2.515   2.869
  167    HA   ARG  25           HA       ARG  25   2.228  -1.977   5.468
  168   1HB   ARG  25          HB2       ARG  25  -0.102  -2.590   5.681
  169   2HB   ARG  25          HB1       ARG  25   0.115  -4.012   4.655
  170   1HG   ARG  25          HG2       ARG  25   1.572  -5.026   6.373
  171   2HG   ARG  25          HG1       ARG  25   1.405  -3.576   7.377
  172   1HD   ARG  25          HD2       ARG  25  -0.885  -4.012   7.713
  173   2HD   ARG  25          HD1       ARG  25  -0.931  -5.253   6.464
  174    HE   ARG  25           HE       ARG  25   0.614  -6.588   7.892
  175   1HH1  ARG  25          HH11      ARG  25  -1.501  -4.178   9.372
  176   2HH1  ARG  25          HH12      ARG  25  -1.612  -5.049  10.841
  177   1HH2  ARG  25          HH21      ARG  25   0.444  -7.689   9.855
  178   2HH2  ARG  25          HH22      ARG  25  -0.519  -7.035  11.138
  179    H    TYR  26           HN       TYR  26   3.406  -3.727   6.361
  180    HA   TYR  26           HA       TYR  26   5.525  -4.587   4.955
  181   1HB   TYR  26          HB2       TYR  26   4.138  -5.936   7.275
  182   2HB   TYR  26          HB1       TYR  26   5.667  -6.543   6.633
  183    HD1  TYR  26           HD1      TYR  26   7.729  -5.150   6.786
  184    HD2  TYR  26           HD2      TYR  26   4.054  -3.951   8.618
  185    HE1  TYR  26           HE1      TYR  26   8.940  -3.554   8.181
  186    HE2  TYR  26           HE2      TYR  26   5.286  -2.384  10.043
  187    HH   TYR  26           HH       TYR  26   7.907  -2.287  10.890
  188    H    GLY  27           HN       GLY  27   5.203  -5.221   2.975
  189   1HA   GLY  27          HA2       GLY  27   5.401  -7.364   1.810
  190   2HA   GLY  27          HA1       GLY  27   3.871  -7.848   2.517
  191    H    LYS  28           HN       LYS  28   2.286  -5.677   2.202
  192    HA   LYS  28           HA       LYS  28   2.301  -4.797  -0.558
  193   1HB   LYS  28          HB2       LYS  28   0.327  -6.045  -1.275
  194   2HB   LYS  28          HB1       LYS  28   1.653  -7.127  -0.881
  195   1HG   LYS  28          HG2       LYS  28   0.599  -7.596   1.297
  196   2HG   LYS  28          HG1       LYS  28  -0.750  -6.514   0.870
  197   1HD   LYS  28          HD2       LYS  28  -1.285  -7.935  -1.066
  198   2HD   LYS  28          HD1       LYS  28   0.051  -9.022  -0.642
  199   1HE   LYS  28          HE2       LYS  28  -1.050  -9.486   1.515
  200   2HE   LYS  28          HE1       LYS  28  -2.396  -8.439   1.034
  201   1HZ   LYS  28          HZ1       LYS  28  -2.876 -10.745   0.648
  202   2HZ   LYS  28          HZ2       LYS  28  -1.540 -10.927  -0.366
  203   3HZ   LYS  28          HZ3       LYS  28  -2.836  -9.924  -0.828
  204    H    CYS  29           HN       CYS  29   0.354  -3.787  -1.197
  205    HA   CYS  29           HA       CYS  29  -0.538  -1.995   0.887
  206   1HB   CYS  29          HB2       CYS  29   0.169  -1.114  -1.272
  207   2HB   CYS  29          HB1       CYS  29  -1.063  -1.990  -2.088
  208    H    LEU  30           HN       LEU  30  -2.464  -1.764   1.650
  209    HA   LEU  30           HA       LEU  30  -4.715  -3.365   0.556
  210   1HB   LEU  30          HB2       LEU  30  -3.883  -3.132   3.475
  211   2HB   LEU  30          HB1       LEU  30  -5.397  -3.849   2.919
  212    HG   LEU  30           HG       LEU  30  -2.637  -4.937   2.284
  213   1HD1  LEU  30          HD11      LEU  30  -3.158  -5.111   4.670
  214   2HD1  LEU  30          HD12      LEU  30  -3.151  -6.673   3.860
  215   3HD1  LEU  30          HD13      LEU  30  -4.688  -5.915   4.272
  216   1HD2  LEU  30          HD21      LEU  30  -4.236  -5.537   0.552
  217   2HD2  LEU  30          HD22      LEU  30  -5.423  -6.021   1.766
  218   3HD2  LEU  30          HD23      LEU  30  -3.924  -6.922   1.577
  219    H    VAL  31           HN       VAL  31  -6.747  -2.676   1.621
  220    HA   VAL  31           HA       VAL  31  -7.157   0.097   1.221
  221    HB   VAL  31           HB       VAL  31  -9.429  -0.266   2.119
  222   1HG1  VAL  31          HG11      VAL  31  -8.536  -2.478   0.258
  223   2HG1  VAL  31          HG12      VAL  31  -8.972  -0.827  -0.217
  224   3HG1  VAL  31          HG13      VAL  31 -10.180  -1.888   0.494
  225   1HG2  VAL  31          HG21      VAL  31  -9.070  -1.778   3.947
  226   2HG2  VAL  31          HG22      VAL  31  -8.341  -2.996   2.892
  227   3HG2  VAL  31          HG23      VAL  31 -10.050  -2.615   2.759
  228    H    GLN  32           HN       GLN  32  -7.268   1.789   2.514
  229    HA   GLN  32           HA       GLN  32  -6.021   1.424   5.159
  230   1HB   GLN  32          HB2       GLN  32  -5.421   3.625   5.121
  231   2HB   GLN  32          HB1       GLN  32  -5.383   3.180   3.405
  232   1HG   GLN  32          HG2       GLN  32  -7.513   4.282   3.035
  233   2HG   GLN  32          HG1       GLN  32  -7.631   4.680   4.736
  234   1HE2  GLN  32          HE21      GLN  32  -7.732   6.853   4.518
  235   2HE2  GLN  32          HE22      GLN  32  -6.371   7.768   3.977
  236    H    VAL  33           HN       VAL  33  -7.231   1.004   6.743
  237    HA   VAL  33           HA       VAL  33  -9.999   1.979   6.941
  238    HB   VAL  33           HB       VAL  33 -10.008   0.807   9.157
  239   1HG1  VAL  33          HG11      VAL  33 -10.041  -1.427   8.251
  240   2HG1  VAL  33          HG12      VAL  33  -9.157  -0.910   6.817
  241   3HG1  VAL  33          HG13      VAL  33 -10.795  -0.305   7.122
  242   1HG2  VAL  33          HG21      VAL  33  -8.201  -0.709   9.708
  243   2HG2  VAL  33          HG22      VAL  33  -7.584   0.927   9.689
  244   3HG2  VAL  33          HG23      VAL  33  -7.249  -0.164   8.341
  245   1HG   HSL  34          HG1       HSL  34  -5.607   7.290   7.017
  246   2HG   HSL  34          HG2       HSL  34  -6.203   7.633   8.655
  247    H    HSL  34           HN       HSL  34  -8.766   4.048   6.566
  248    HA   HSL  34           HA       HSL  34  -8.562   5.382   8.820
  249   1HB   HSL  34          HB1       HSL  34  -6.114   5.117   7.189
  250   2HB   HSL  34          HB2       HSL  34  -6.297   5.410   8.922
  Start of MODEL    7
    1   1H    ALA   1           HT1      ALA   1   1.527   5.469 -10.722
    2   2H    ALA   1           HT2      ALA   1   3.098   5.287 -11.306
    3   3H    ALA   1           HT3      ALA   1   2.857   5.859  -9.732
    4    HA   ALA   1           HA       ALA   1   2.210   3.147 -10.776
    5   1HB   ALA   1          HB1       ALA   1   4.361   4.022  -8.827
    6   2HB   ALA   1          HB2       ALA   1   4.594   3.538 -10.504
    7   3HB   ALA   1          HB3       ALA   1   4.024   2.354  -9.333
    8    H    CYS   2           HN       CYS   2   0.188   3.048 -10.053
    9    HA   CYS   2           HA       CYS   2  -0.397   3.588  -7.216
   10   1HB   CYS   2          HB2       CYS   2  -1.982   3.171  -9.676
   11   2HB   CYS   2          HB1       CYS   2  -2.732   2.617  -8.202
   12    H    GLY   3           HN       GLY   3   0.261   2.131  -5.899
   13   1HA   GLY   3          HA2       GLY   3   0.187  -0.680  -6.342
   14   2HA   GLY   3          HA1       GLY   3   0.372   0.139  -4.818
   15    H    ILE   4           HN       ILE   4  -1.557  -1.874  -6.403
   16    HA   ILE   4           HA       ILE   4  -4.153  -0.912  -5.498
   17    HB   ILE   4           HB       ILE   4  -5.028  -3.008  -6.557
   18   1HG1  ILE   4          HG12      ILE   4  -2.165  -3.418  -7.424
   19   2HG1  ILE   4          HG11      ILE   4  -2.964  -4.426  -6.202
   20   1HG2  ILE   4          HG21      ILE   4  -3.236  -1.357  -8.356
   21   2HG2  ILE   4          HG22      ILE   4  -4.843  -0.890  -7.780
   22   3HG2  ILE   4          HG23      ILE   4  -4.666  -2.293  -8.817
   23   1HD1  ILE   4          HD11      ILE   4  -4.575  -5.076  -7.975
   24   2HD1  ILE   4          HD12      ILE   4  -2.902  -5.545  -8.260
   25   3HD1  ILE   4          HD13      ILE   4  -3.579  -4.173  -9.129
   26    H    LEU   5           HN       LEU   5  -5.595  -2.820  -4.686
   27    HA   LEU   5           HA       LEU   5  -4.809  -2.899  -1.933
   28   1HB   LEU   5          HB2       LEU   5  -7.023  -3.693  -1.495
   29   2HB   LEU   5          HB1       LEU   5  -7.073  -2.425  -2.696
   30    HG   LEU   5           HG       LEU   5  -7.001  -4.654  -4.319
   31   1HD1  LEU   5          HD11      LEU   5  -8.551  -5.371  -1.820
   32   2HD1  LEU   5          HD12      LEU   5  -7.224  -6.270  -2.560
   33   3HD1  LEU   5          HD13      LEU   5  -8.756  -6.143  -3.386
   34   1HD2  LEU   5          HD21      LEU   5  -9.468  -3.299  -3.233
   35   2HD2  LEU   5          HD22      LEU   5  -9.322  -4.232  -4.720
   36   3HD2  LEU   5          HD23      LEU   5  -8.460  -2.706  -4.566
   37    H    HIS   6           HN       HIS   6  -3.795  -4.820  -4.279
   38    HA   HIS   6           HA       HIS   6  -2.812  -6.718  -2.344
   39   1HB   HIS   6          HB2       HIS   6  -3.455  -8.688  -3.796
   40   2HB   HIS   6          HB1       HIS   6  -4.796  -7.901  -2.982
   41    HD1  HIS   6           HD1      HIS   6  -3.428  -8.584  -6.395
   42    HD2  HIS   6           HD2      HIS   6  -6.652  -6.686  -4.640
   43    HE1  HIS   6           HE1      HIS   6  -5.036  -8.103  -8.261
   44    HE2  HIS   6           HE2      HIS   6  -6.985  -6.953  -7.166
   45    H    ASP   7           HN       ASP   7  -1.644  -4.635  -3.492
   46    HA   ASP   7           HA       ASP   7   0.167  -5.899  -5.497
   47   1HB   ASP   7          HB2       ASP   7  -1.031  -3.882  -6.243
   48   2HB   ASP   7          HB1       ASP   7  -0.277  -2.910  -5.030
   49    H    ASN   8           HN       ASN   8   2.239  -5.891  -5.151
   50    HA   ASN   8           HA       ASN   8   3.037  -6.017  -2.412
   51   1HB   ASN   8          HB2       ASN   8   4.614  -6.257  -4.996
   52   2HB   ASN   8          HB1       ASN   8   5.311  -6.556  -3.398
   53   1HD2  ASN   8          HD21      ASN   8   4.871  -8.318  -5.775
   54   2HD2  ASN   8          HD22      ASN   8   4.000  -9.660  -5.125
   55    H    CYS   9           HN       CYS   9   3.937  -4.599  -1.178
   56    HA   CYS   9           HA       CYS   9   5.529  -2.401  -2.231
   57   1HB   CYS   9          HB2       CYS   9   4.248  -0.662  -1.319
   58   2HB   CYS   9          HB1       CYS   9   3.094  -1.643  -2.177
   59    H    VAL  10           HN       VAL  10   6.963  -1.646  -0.918
   60    HA   VAL  10           HA       VAL  10   7.312  -2.844   1.752
   61    HB   VAL  10           HB       VAL  10   9.300  -2.587   0.349
   62   1HG1  VAL  10          HG11      VAL  10  10.195  -0.482  -0.289
   63   2HG1  VAL  10          HG12      VAL  10   8.926   0.415   0.523
   64   3HG1  VAL  10          HG13      VAL  10   8.559  -0.552  -0.912
   65   1HG2  VAL  10          HG21      VAL  10   9.411  -2.389   2.870
   66   2HG2  VAL  10          HG22      VAL  10   9.503  -0.631   2.650
   67   3HG2  VAL  10          HG23      VAL  10  10.740  -1.674   1.969
   68    H    TYR  11           HN       TYR  11   7.090  -1.757   3.587
   69    HA   TYR  11           HA       TYR  11   5.023   0.220   3.556
   70   1HB   TYR  11          HB2       TYR  11   4.927   0.008   5.919
   71   2HB   TYR  11          HB1       TYR  11   5.158  -1.577   5.232
   72    HD1  TYR  11           HD1      TYR  11   7.674  -2.416   5.091
   73    HD2  TYR  11           HD2      TYR  11   6.302   0.660   7.730
   74    HE1  TYR  11           HE1      TYR  11   9.604  -2.790   6.533
   75    HE2  TYR  11           HE2      TYR  11   8.190   0.216   9.209
   76    HH   TYR  11           HH       TYR  11  10.871  -1.064   8.324
   77    H    VAL  12           HN       VAL  12   6.046   1.779   2.331
   78    HA   VAL  12           HA       VAL  12   7.559   3.670   4.036
   79    HB   VAL  12           HB       VAL  12   8.649   4.570   1.987
   80   1HG1  VAL  12          HG11      VAL  12   9.288   1.680   2.617
   81   2HG1  VAL  12          HG12      VAL  12   9.848   3.093   3.531
   82   3HG1  VAL  12          HG13      VAL  12  10.351   2.866   1.860
   83   1HG2  VAL  12          HG21      VAL  12   7.287   3.794   0.195
   84   2HG2  VAL  12          HG22      VAL  12   7.414   2.121   0.712
   85   3HG2  VAL  12          HG23      VAL  12   8.808   2.944   0.062
   86    HA   PRO  13           HA       PRO  13   3.740   5.840   3.071
   87   1HB   PRO  13          HB2       PRO  13   4.022   7.665   5.072
   88   2HB   PRO  13          HB1       PRO  13   3.445   6.018   5.323
   89   1HG   PRO  13          HG2       PRO  13   6.188   7.129   5.783
   90   2HG   PRO  13          HG1       PRO  13   5.215   6.050   6.801
   91   1HD   PRO  13          HD2       PRO  13   7.198   5.185   5.210
   92   2HD   PRO  13          HD1       PRO  13   5.782   4.175   5.601
   93    H    ALA  14           HN       ALA  14   6.928   7.162   3.699
   94    HA   ALA  14           HA       ALA  14   6.672   9.787   2.978
   95   1HB   ALA  14          HB1       ALA  14   9.044   7.977   2.441
   96   2HB   ALA  14          HB2       ALA  14   8.671   8.799   3.952
   97   3HB   ALA  14          HB3       ALA  14   9.073   9.749   2.526
   98    H    GLN  15           HN       GLN  15   7.650   7.096   0.928
   99    HA   GLN  15           HA       GLN  15   6.459   8.526  -1.418
  100   1HB   GLN  15          HB2       GLN  15   9.049   8.066  -1.262
  101   2HB   GLN  15          HB1       GLN  15   8.641   6.416  -1.685
  102   1HG   GLN  15          HG2       GLN  15   7.988   8.913  -3.303
  103   2HG   GLN  15          HG1       GLN  15   9.301   7.784  -3.605
  104   1HE2  GLN  15          HE21      GLN  15   5.872   8.330  -3.873
  105   2HE2  GLN  15          HE22      GLN  15   5.561   6.942  -4.852
  106    H    ASN  16           HN       ASN  16   4.689   7.488  -0.124
  107    HA   ASN  16           HA       ASN  16   4.209   4.766  -0.089
  108   1HB   ASN  16          HB2       ASN  16   2.838   6.519   1.008
  109   2HB   ASN  16          HB1       ASN  16   2.102   6.898  -0.541
  110   1HD2  ASN  16          HD21      ASN  16   2.327   4.627   2.081
  111   2HD2  ASN  16          HD22      ASN  16   0.992   3.655   1.588
  112    HA   PRO  17           HA       PRO  17   3.998   3.992  -4.490
  113   1HB   PRO  17          HB2       PRO  17   4.108   1.322  -4.322
  114   2HB   PRO  17          HB1       PRO  17   5.485   2.334  -3.873
  115   1HG   PRO  17          HG2       PRO  17   3.428   1.096  -2.070
  116   2HG   PRO  17          HG1       PRO  17   5.203   1.068  -1.937
  117   1HD   PRO  17          HD2       PRO  17   3.619   2.781  -0.566
  118   2HD   PRO  17          HD1       PRO  17   5.298   3.164  -1.046
  119    H    CYS  18           HN       CYS  18   1.763   3.226  -2.045
  120    HA   CYS  18           HA       CYS  18  -0.104   1.767  -3.658
  121   1HB   CYS  18          HB2       CYS  18  -0.511   3.000  -0.924
  122   2HB   CYS  18          HB1       CYS  18  -1.473   1.758  -1.699
  123    H    CYS  19           HN       CYS  19  -2.028   2.430  -4.377
  124    HA   CYS  19           HA       CYS  19  -2.130   5.105  -5.369
  125   1HB   CYS  19          HB2       CYS  19  -3.234   2.832  -6.212
  126   2HB   CYS  19          HB1       CYS  19  -4.602   3.384  -5.289
  127    H    ARG  20           HN       ARG  20  -3.503   6.717  -4.881
  128    HA   ARG  20           HA       ARG  20  -3.564   7.294  -2.138
  129   1HB   ARG  20          HB2       ARG  20  -3.490   8.911  -4.063
  130   2HB   ARG  20          HB1       ARG  20  -5.221   8.720  -4.279
  131   1HG   ARG  20          HG2       ARG  20  -3.908   9.640  -1.681
  132   2HG   ARG  20          HG1       ARG  20  -4.451  10.723  -2.959
  133   1HD   ARG  20          HD2       ARG  20  -6.704  10.115  -2.687
  134   2HD   ARG  20          HD1       ARG  20  -6.323   8.754  -1.643
  135    HE   ARG  20           HE       ARG  20  -5.344  11.023  -0.374
  136   1HH1  ARG  20          HH11      ARG  20  -8.458   9.768  -1.427
  137   2HH1  ARG  20          HH12      ARG  20  -9.291  10.417  -0.071
  138   1HH2  ARG  20          HH21      ARG  20  -6.473  11.865   1.403
  139   2HH2  ARG  20          HH22      ARG  20  -8.181  11.612   1.542
  140    H    GLY  21           HN       GLY  21  -4.717   6.434  -0.697
  141   1HA   GLY  21          HA2       GLY  21  -7.000   6.316   0.214
  142   2HA   GLY  21          HA1       GLY  21  -7.521   5.565  -1.286
  143    H    LEU  22           HN       LEU  22  -4.607   4.330  -1.054
  144    HA   LEU  22           HA       LEU  22  -5.464   2.037   0.632
  145   1HB   LEU  22          HB2       LEU  22  -3.536   2.075  -1.702
  146   2HB   LEU  22          HB1       LEU  22  -4.045   0.651  -0.788
  147    HG   LEU  22           HG       LEU  22  -5.825   2.369  -2.547
  148   1HD1  LEU  22          HD11      LEU  22  -4.524  -0.312  -2.955
  149   2HD1  LEU  22          HD12      LEU  22  -4.419   1.140  -3.956
  150   3HD1  LEU  22          HD13      LEU  22  -5.918   0.235  -3.881
  151   1HD2  LEU  22          HD21      LEU  22  -7.116   1.432  -0.693
  152   2HD2  LEU  22          HD22      LEU  22  -6.417  -0.170  -1.013
  153   3HD2  LEU  22          HD23      LEU  22  -7.474   0.588  -2.190
  154    H    GLN  23           HN       GLN  23  -4.111   1.114   1.969
  155    HA   GLN  23           HA       GLN  23  -1.823   2.780   2.872
  156   1HB   GLN  23          HB2       GLN  23  -3.631   2.432   4.446
  157   2HB   GLN  23          HB1       GLN  23  -3.489   0.712   4.378
  158   1HG   GLN  23          HG2       GLN  23  -1.169   1.013   5.312
  159   2HG   GLN  23          HG1       GLN  23  -1.497   2.749   5.429
  160   1HE2  GLN  23          HE21      GLN  23  -0.858   0.796   7.525
  161   2HE2  GLN  23          HE22      GLN  23  -2.189   0.915   8.620
  162    H    CYS  24           HN       CYS  24   0.121   1.955   3.080
  163    HA   CYS  24           HA       CYS  24   0.591  -0.632   1.747
  164   1HB   CYS  24          HB2       CYS  24   1.876   1.328   0.992
  165   2HB   CYS  24          HB1       CYS  24   2.547   1.520   2.573
  166    H    ARG  25           HN       ARG  25   0.367  -2.234   3.012
  167    HA   ARG  25           HA       ARG  25   1.763  -2.279   5.631
  168   1HB   ARG  25          HB2       ARG  25  -0.119  -4.204   4.204
  169   2HB   ARG  25          HB1       ARG  25   0.709  -4.634   5.705
  170   1HG   ARG  25          HG2       ARG  25  -1.295  -2.381   5.321
  171   2HG   ARG  25          HG1       ARG  25  -1.565  -3.936   6.109
  172   1HD   ARG  25          HD2       ARG  25   0.283  -3.346   7.725
  173   2HD   ARG  25          HD1       ARG  25   0.245  -1.710   7.027
  174    HE   ARG  25           HE       ARG  25  -2.369  -2.421   7.830
  175   1HH1  ARG  25          HH11      ARG  25   0.765  -1.539   9.162
  176   2HH1  ARG  25          HH12      ARG  25   0.092  -0.981  10.642
  177   1HH2  ARG  25          HH21      ARG  25  -3.223  -1.659   9.794
  178   2HH2  ARG  25          HH22      ARG  25  -2.163  -1.040  11.016
  179    H    TYR  26           HN       TYR  26   3.522  -3.359   5.967
  180    HA   TYR  26           HA       TYR  26   5.366  -3.619   3.938
  181   1HB   TYR  26          HB2       TYR  26   6.764  -4.962   5.512
  182   2HB   TYR  26          HB1       TYR  26   6.093  -3.497   6.172
  183    HD1  TYR  26           HD1      TYR  26   4.341  -3.509   7.903
  184    HD2  TYR  26           HD2      TYR  26   6.105  -7.130   6.449
  185    HE1  TYR  26           HE1      TYR  26   3.488  -4.716   9.852
  186    HE2  TYR  26           HE2      TYR  26   5.245  -8.322   8.402
  187    HH   TYR  26           HH       TYR  26   4.571  -7.468  10.951
  188    H    GLY  27           HN       GLY  27   4.879  -4.615   2.201
  189   1HA   GLY  27          HA2       GLY  27   5.322  -6.929   1.308
  190   2HA   GLY  27          HA1       GLY  27   3.964  -7.452   2.293
  191    H    LYS  28           HN       LYS  28   2.235  -5.290   1.918
  192    HA   LYS  28           HA       LYS  28   1.745  -4.991  -0.917
  193   1HB   LYS  28          HB2       LYS  28  -0.366  -6.258  -0.946
  194   2HB   LYS  28          HB1       LYS  28   1.023  -7.287  -0.598
  195   1HG   LYS  28          HG2       LYS  28   0.512  -7.281   1.771
  196   2HG   LYS  28          HG1       LYS  28  -0.869  -6.194   1.512
  197   1HD   LYS  28          HD2       LYS  28  -2.035  -7.850   0.227
  198   2HD   LYS  28          HD1       LYS  28  -0.637  -8.943   0.257
  199   1HE   LYS  28          HE2       LYS  28  -2.263  -8.053   2.651
  200   2HE   LYS  28          HE1       LYS  28  -2.299  -9.626   1.863
  201   1HZ   LYS  28          HZ1       LYS  28  -0.156  -8.453   3.518
  202   2HZ   LYS  28          HZ2       LYS  28   0.212  -9.689   2.410
  203   3HZ   LYS  28          HZ3       LYS  28  -0.913  -9.953   3.638
  204    H    CYS  29           HN       CYS  29   0.050  -3.723  -1.441
  205    HA   CYS  29           HA       CYS  29  -0.743  -1.752   0.524
  206   1HB   CYS  29          HB2       CYS  29  -1.532  -2.085  -2.363
  207   2HB   CYS  29          HB1       CYS  29  -1.924  -0.687  -1.374
  208    H    LEU  30           HN       LEU  30  -2.623  -1.539   1.447
  209    HA   LEU  30           HA       LEU  30  -4.849  -3.398   0.775
  210   1HB   LEU  30          HB2       LEU  30  -3.823  -2.619   3.532
  211   2HB   LEU  30          HB1       LEU  30  -5.317  -3.509   3.232
  212    HG   LEU  30           HG       LEU  30  -2.530  -4.502   2.567
  213   1HD1  LEU  30          HD11      LEU  30  -3.315  -4.268   5.050
  214   2HD1  LEU  30          HD12      LEU  30  -2.559  -5.745   4.478
  215   3HD1  LEU  30          HD13      LEU  30  -4.308  -5.667   4.664
  216   1HD2  LEU  30          HD21      LEU  30  -3.742  -6.661   2.281
  217   2HD2  LEU  30          HD22      LEU  30  -4.100  -5.488   1.038
  218   3HD2  LEU  30          HD23      LEU  30  -5.265  -5.789   2.337
  219    H    VAL  31           HN       VAL  31  -6.848  -2.701   1.530
  220    HA   VAL  31           HA       VAL  31  -7.378   0.000   0.795
  221    HB   VAL  31           HB       VAL  31  -9.745  -0.499   1.496
  222   1HG1  VAL  31          HG11      VAL  31 -10.178  -2.003  -0.309
  223   2HG1  VAL  31          HG12      VAL  31  -8.500  -2.525  -0.359
  224   3HG1  VAL  31          HG13      VAL  31  -8.928  -0.865  -0.805
  225   1HG2  VAL  31          HG21      VAL  31  -8.567  -3.232   2.119
  226   2HG2  VAL  31          HG22      VAL  31 -10.271  -2.848   1.985
  227   3HG2  VAL  31          HG23      VAL  31  -9.333  -2.136   3.273
  228    H    GLN  32           HN       GLN  32  -6.964   1.675   1.894
  229    HA   GLN  32           HA       GLN  32  -6.708   1.534   4.813
  230   1HB   GLN  32          HB2       GLN  32  -5.071   2.731   3.398
  231   2HB   GLN  32          HB1       GLN  32  -6.263   3.880   2.937
  232   1HG   GLN  32          HG2       GLN  32  -6.495   4.694   5.186
  233   2HG   GLN  32          HG1       GLN  32  -5.440   3.419   5.810
  234   1HE2  GLN  32          HE21      GLN  32  -4.019   4.896   6.730
  235   2HE2  GLN  32          HE22      GLN  32  -2.980   5.867   5.749
  236    H    VAL  33           HN       VAL  33  -9.033   0.918   4.650
  237    HA   VAL  33           HA       VAL  33 -10.616   3.315   5.331
  238    HB   VAL  33           HB       VAL  33 -12.651   2.242   4.357
  239   1HG1  VAL  33          HG11      VAL  33 -12.260   2.868   2.085
  240   2HG1  VAL  33          HG12      VAL  33 -10.514   2.774   2.287
  241   3HG1  VAL  33          HG13      VAL  33 -11.446   4.017   3.141
  242   1HG2  VAL  33          HG21      VAL  33 -12.096  -0.062   4.207
  243   2HG2  VAL  33          HG22      VAL  33 -10.642   0.263   3.259
  244   3HG2  VAL  33          HG23      VAL  33 -12.235   0.513   2.554
  245   1HG   HSL  34          HG1       HSL  34 -13.959   3.236  10.534
  246   2HG   HSL  34          HG2       HSL  34 -12.931   2.054  11.371
  247    H    HSL  34           HN       HSL  34 -12.284   2.930   6.740
  248    HA   HSL  34           HA       HSL  34 -11.539   0.658   8.768
  249   1HB   HSL  34          HB1       HSL  34 -11.343   2.617   9.892
  250   2HB   HSL  34          HB2       HSL  34 -12.502   3.449   8.849
  Start of MODEL    8
    1   1H    ALA   1           HT1      ALA   1   1.482   2.728 -13.542
    2   2H    ALA   1           HT2      ALA   1   2.709   2.444 -12.413
    3   3H    ALA   1           HT3      ALA   1   1.672   3.784 -12.238
    4    HA   ALA   1           HA       ALA   1  -0.225   2.318 -11.949
    5   1HB   ALA   1          HB1       ALA   1   1.815   0.082 -12.041
    6   2HB   ALA   1          HB2       ALA   1   0.613   0.464 -13.268
    7   3HB   ALA   1          HB3       ALA   1   0.085  -0.095 -11.685
    8    H    CYS   2           HN       CYS   2  -0.701   2.944 -10.060
    9    HA   CYS   2           HA       CYS   2   1.203   2.994  -7.850
   10   1HB   CYS   2          HB2       CYS   2  -0.763   3.934  -6.602
   11   2HB   CYS   2          HB1       CYS   2  -0.263   4.845  -7.991
   12    H    GLY   3           HN       GLY   3   0.868   1.996  -5.897
   13   1HA   GLY   3          HA2       GLY   3   0.382  -0.726  -5.958
   14   2HA   GLY   3          HA1       GLY   3   0.547   0.245  -4.511
   15    H    ILE   4           HN       ILE   4  -1.383  -1.836  -5.886
   16    HA   ILE   4           HA       ILE   4  -3.937  -0.664  -4.971
   17    HB   ILE   4           HB       ILE   4  -5.003  -2.498  -6.310
   18   1HG1  ILE   4          HG12      ILE   4  -2.189  -2.967  -7.306
   19   2HG1  ILE   4          HG11      ILE   4  -3.077  -4.112  -6.295
   20   1HG2  ILE   4          HG21      ILE   4  -4.692  -0.225  -7.194
   21   2HG2  ILE   4          HG22      ILE   4  -4.695  -1.461  -8.437
   22   3HG2  ILE   4          HG23      ILE   4  -3.165  -0.727  -7.934
   23   1HD1  ILE   4          HD11      ILE   4  -3.631  -3.269  -9.125
   24   2HD1  ILE   4          HD12      ILE   4  -4.743  -4.254  -8.159
   25   3HD1  ILE   4          HD13      ILE   4  -3.123  -4.840  -8.519
   26    H    LEU   5           HN       LEU   5  -5.451  -2.447  -4.381
   27    HA   LEU   5           HA       LEU   5  -4.794  -3.075  -1.753
   28   1HB   LEU   5          HB2       LEU   5  -7.013  -4.137  -1.638
   29   2HB   LEU   5          HB1       LEU   5  -7.013  -2.545  -2.356
   30    HG   LEU   5           HG       LEU   5  -6.852  -4.757  -4.327
   31   1HD1  LEU   5          HD11      LEU   5  -8.401  -5.731  -2.689
   32   2HD1  LEU   5          HD12      LEU   5  -9.181  -5.291  -4.202
   33   3HD1  LEU   5          HD13      LEU   5  -9.393  -4.265  -2.784
   34   1HD2  LEU   5          HD21      LEU   5  -8.507  -2.245  -4.118
   35   2HD2  LEU   5          HD22      LEU   5  -8.464  -3.354  -5.484
   36   3HD2  LEU   5          HD23      LEU   5  -7.029  -2.447  -5.065
   37    H    HIS   6           HN       HIS   6  -3.838  -4.795  -4.413
   38    HA   HIS   6           HA       HIS   6  -3.006  -6.994  -2.682
   39   1HB   HIS   6          HB2       HIS   6  -3.697  -8.683  -4.409
   40   2HB   HIS   6          HB1       HIS   6  -5.033  -7.890  -3.596
   41    HD1  HIS   6           HD1      HIS   6  -3.397  -8.172  -6.969
   42    HD2  HIS   6           HD2      HIS   6  -6.727  -6.438  -5.213
   43    HE1  HIS   6           HE1      HIS   6  -4.836  -7.382  -8.868
   44    HE2  HIS   6           HE2      HIS   6  -6.860  -6.362  -7.777
   45    H    ASP   7           HN       ASP   7  -1.689  -4.783  -3.627
   46    HA   ASP   7           HA       ASP   7   0.148  -5.981  -5.648
   47   1HB   ASP   7          HB2       ASP   7  -0.882  -3.892  -6.338
   48   2HB   ASP   7          HB1       ASP   7  -0.259  -3.041  -4.946
   49    H    ASN   8           HN       ASN   8   2.139  -6.276  -5.177
   50    HA   ASN   8           HA       ASN   8   3.099  -6.458  -2.556
   51   1HB   ASN   8          HB2       ASN   8   4.107  -7.647  -4.447
   52   2HB   ASN   8          HB1       ASN   8   4.689  -6.142  -5.150
   53   1HD2  ASN   8          HD21      ASN   8   6.422  -5.018  -4.073
   54   2HD2  ASN   8          HD22      ASN   8   7.417  -5.867  -2.948
   55    H    CYS   9           HN       CYS   9   4.049  -5.104  -1.219
   56    HA   CYS   9           HA       CYS   9   5.105  -2.549  -2.080
   57   1HB   CYS   9          HB2       CYS   9   2.653  -2.157  -2.021
   58   2HB   CYS   9          HB1       CYS   9   2.618  -2.603  -0.326
   59    H    VAL  10           HN       VAL  10   6.393  -1.645  -0.737
   60    HA   VAL  10           HA       VAL  10   6.964  -3.010   1.856
   61    HB   VAL  10           HB       VAL  10   9.156  -1.838   1.758
   62   1HG1  VAL  10          HG11      VAL  10   8.946  -4.137   0.929
   63   2HG1  VAL  10          HG12      VAL  10  10.149  -3.210   0.040
   64   3HG1  VAL  10          HG13      VAL  10   8.576  -3.519  -0.692
   65   1HG2  VAL  10          HG21      VAL  10   8.552   0.103   0.361
   66   2HG2  VAL  10          HG22      VAL  10   8.263  -0.971  -1.015
   67   3HG2  VAL  10          HG23      VAL  10   9.873  -0.810  -0.342
   68    H    TYR  11           HN       TYR  11   7.234  -1.814   3.674
   69    HA   TYR  11           HA       TYR  11   5.159   0.173   3.899
   70   1HB   TYR  11          HB2       TYR  11   6.048  -1.622   5.592
   71   2HB   TYR  11          HB1       TYR  11   7.101  -0.357   6.158
   72    HD1  TYR  11           HD1      TYR  11   6.045   1.800   6.979
   73    HD2  TYR  11           HD2      TYR  11   3.763  -1.689   6.240
   74    HE1  TYR  11           HE1      TYR  11   4.210   2.690   8.343
   75    HE2  TYR  11           HE2      TYR  11   1.898  -0.796   7.512
   76    HH   TYR  11           HH       TYR  11   1.482   2.227   8.331
   77    H    VAL  12           HN       VAL  12   5.836   1.752   2.542
   78    HA   VAL  12           HA       VAL  12   7.750   3.657   3.787
   79    HB   VAL  12           HB       VAL  12   8.936   2.715   1.922
   80   1HG1  VAL  12          HG11      VAL  12   6.793   3.615   0.015
   81   2HG1  VAL  12          HG12      VAL  12   6.841   1.982   0.645
   82   3HG1  VAL  12          HG13      VAL  12   8.186   2.599  -0.280
   83   1HG2  VAL  12          HG21      VAL  12   7.960   5.395   0.959
   84   2HG2  VAL  12          HG22      VAL  12   9.556   4.677   0.845
   85   3HG2  VAL  12          HG23      VAL  12   8.968   5.232   2.405
   86    HA   PRO  13           HA       PRO  13   3.514   5.386   3.496
   87   1HB   PRO  13          HB2       PRO  13   4.563   6.977   5.779
   88   2HB   PRO  13          HB1       PRO  13   3.104   5.992   5.632
   89   1HG   PRO  13          HG2       PRO  13   5.204   5.221   7.093
   90   2HG   PRO  13          HG1       PRO  13   4.194   4.050   6.222
   91   1HD   PRO  13          HD2       PRO  13   6.897   5.148   5.512
   92   2HD   PRO  13          HD1       PRO  13   6.235   3.509   5.392
   93    H    ALA  14           HN       ALA  14   6.551   7.061   4.132
   94    HA   ALA  14           HA       ALA  14   5.803   9.685   3.613
   95   1HB   ALA  14          HB1       ALA  14   7.910   9.024   4.629
   96   2HB   ALA  14          HB2       ALA  14   8.183  10.124   3.283
   97   3HB   ALA  14          HB3       ALA  14   8.492   8.386   3.095
   98    H    GLN  15           HN       GLN  15   6.912   7.151   1.490
   99    HA   GLN  15           HA       GLN  15   6.034   8.757  -0.872
  100   1HB   GLN  15          HB2       GLN  15   8.451   6.938  -0.552
  101   2HB   GLN  15          HB1       GLN  15   7.889   7.594  -2.104
  102   1HG   GLN  15          HG2       GLN  15   8.364   9.831  -1.430
  103   2HG   GLN  15          HG1       GLN  15   8.708   9.340   0.230
  104   1HE2  GLN  15          HE21      GLN  15  10.380  10.788  -1.692
  105   2HE2  GLN  15          HE22      GLN  15  11.813   9.831  -1.818
  106    H    ASN  16           HN       ASN  16   4.295   7.359   0.424
  107    HA   ASN  16           HA       ASN  16   3.919   4.682  -0.056
  108   1HB   ASN  16          HB2       ASN  16   2.468   6.025   1.360
  109   2HB   ASN  16          HB1       ASN  16   1.812   6.870  -0.036
  110   1HD2  ASN  16          HD21      ASN  16  -0.301   6.206   0.432
  111   2HD2  ASN  16          HD22      ASN  16  -0.798   4.567   0.235
  112    HA   PRO  17           HA       PRO  17   3.883   4.816  -4.548
  113   1HB   PRO  17          HB2       PRO  17   4.148   2.166  -4.910
  114   2HB   PRO  17          HB1       PRO  17   5.459   3.145  -4.243
  115   1HG   PRO  17          HG2       PRO  17   3.444   1.483  -2.755
  116   2HG   PRO  17          HG1       PRO  17   5.214   1.485  -2.612
  117   1HD   PRO  17          HD2       PRO  17   3.641   2.837  -0.923
  118   2HD   PRO  17          HD1       PRO  17   5.255   3.434  -1.384
  119    H    CYS  18           HN       CYS  18   1.629   3.677  -2.372
  120    HA   CYS  18           HA       CYS  18  -0.104   2.272  -4.102
  121   1HB   CYS  18          HB2       CYS  18  -0.401   3.278  -1.312
  122   2HB   CYS  18          HB1       CYS  18  -1.622   2.401  -2.135
  123    H    CYS  19           HN       CYS  19  -2.142   2.770  -4.647
  124    HA   CYS  19           HA       CYS  19  -2.602   5.381  -5.700
  125   1HB   CYS  19          HB2       CYS  19  -4.700   3.258  -5.118
  126   2HB   CYS  19          HB1       CYS  19  -4.762   4.545  -6.325
  127    H    ARG  20           HN       ARG  20  -3.733   7.020  -4.925
  128    HA   ARG  20           HA       ARG  20  -3.612   7.499  -2.138
  129   1HB   ARG  20          HB2       ARG  20  -5.212   8.942  -4.281
  130   2HB   ARG  20          HB1       ARG  20  -4.908   9.561  -2.640
  131   1HG   ARG  20          HG2       ARG  20  -2.528   9.640  -3.062
  132   2HG   ARG  20          HG1       ARG  20  -2.741   8.905  -4.657
  133   1HD   ARG  20          HD2       ARG  20  -4.125  10.863  -5.317
  134   2HD   ARG  20          HD1       ARG  20  -3.746  11.601  -3.740
  135    HE   ARG  20           HE       ARG  20  -1.350  10.842  -5.093
  136   1HH1  ARG  20          HH11      ARG  20  -3.899  13.275  -5.196
  137   2HH1  ARG  20          HH12      ARG  20  -2.870  14.454  -5.912
  138   1HH2  ARG  20          HH21      ARG  20  -0.037  12.418  -6.032
  139   2HH2  ARG  20          HH22      ARG  20  -0.683  13.984  -6.391
  140    H    GLY  21           HN       GLY  21  -4.663   6.536  -0.691
  141   1HA   GLY  21          HA2       GLY  21  -6.927   6.369   0.327
  142   2HA   GLY  21          HA1       GLY  21  -7.479   5.646  -1.177
  143    H    LEU  22           HN       LEU  22  -4.738   4.362  -1.357
  144    HA   LEU  22           HA       LEU  22  -5.419   1.962   0.204
  145   1HB   LEU  22          HB2       LEU  22  -3.573   2.483  -2.138
  146   2HB   LEU  22          HB1       LEU  22  -3.543   0.997  -1.238
  147    HG   LEU  22           HG       LEU  22  -4.778   0.756  -3.300
  148   1HD1  LEU  22          HD11      LEU  22  -5.370  -0.574  -1.258
  149   2HD1  LEU  22          HD12      LEU  22  -6.664  -0.363  -2.426
  150   3HD1  LEU  22          HD13      LEU  22  -6.669   0.591  -0.954
  151   1HD2  LEU  22          HD21      LEU  22  -6.881   2.608  -2.191
  152   2HD2  LEU  22          HD22      LEU  22  -6.749   1.907  -3.794
  153   3HD2  LEU  22          HD23      LEU  22  -5.636   3.167  -3.306
  154    H    GLN  23           HN       GLN  23  -4.303   1.250   1.785
  155    HA   GLN  23           HA       GLN  23  -1.974   2.844   2.695
  156   1HB   GLN  23          HB2       GLN  23  -3.919   2.768   4.179
  157   2HB   GLN  23          HB1       GLN  23  -3.823   1.006   4.266
  158   1HG   GLN  23          HG2       GLN  23  -1.627   1.160   5.354
  159   2HG   GLN  23          HG1       GLN  23  -1.638   2.920   5.168
  160   1HE2  GLN  23          HE21      GLN  23  -2.969   0.182   6.895
  161   2HE2  GLN  23          HE22      GLN  23  -3.670   1.128   8.159
  162    H    CYS  24           HN       CYS  24  -0.133   2.044   2.429
  163    HA   CYS  24           HA       CYS  24   0.271  -0.691   1.581
  164   1HB   CYS  24          HB2       CYS  24   1.542   1.040   0.525
  165   2HB   CYS  24          HB1       CYS  24   2.173   1.603   2.036
  166    H    ARG  25           HN       ARG  25   0.823  -2.324   2.719
  167    HA   ARG  25           HA       ARG  25   2.076  -1.901   5.371
  168   1HB   ARG  25          HB2       ARG  25  -0.193  -2.820   5.559
  169   2HB   ARG  25          HB1       ARG  25   0.262  -4.179   4.524
  170   1HG   ARG  25          HG2       ARG  25   2.042  -4.741   6.294
  171   2HG   ARG  25          HG1       ARG  25   1.283  -3.501   7.298
  172   1HD   ARG  25          HD2       ARG  25  -0.124  -5.931   6.170
  173   2HD   ARG  25          HD1       ARG  25   0.611  -5.799   7.761
  174    HE   ARG  25           HE       ARG  25  -1.522  -3.893   6.978
  175   1HH1  ARG  25          HH11      ARG  25  -0.421  -6.518   9.056
  176   2HH1  ARG  25          HH12      ARG  25  -1.806  -6.424  10.057
  177   1HH2  ARG  25          HH21      ARG  25  -3.347  -3.826   8.325
  178   2HH2  ARG  25          HH22      ARG  25  -3.467  -4.917   9.665
  179    H    TYR  26           HN       TYR  26   3.760  -3.149   5.859
  180    HA   TYR  26           HA       TYR  26   5.619  -3.745   3.908
  181   1HB   TYR  26          HB2       TYR  26   6.744  -5.154   5.775
  182   2HB   TYR  26          HB1       TYR  26   6.511  -3.446   6.022
  183    HD1  TYR  26           HD1      TYR  26   5.097  -2.615   7.798
  184    HD2  TYR  26           HD2      TYR  26   5.282  -6.798   6.966
  185    HE1  TYR  26           HE1      TYR  26   3.917  -3.080   9.879
  186    HE2  TYR  26           HE2      TYR  26   4.087  -7.256   9.049
  187    HH   TYR  26           HH       TYR  26   3.908  -5.804  11.414
  188    H    GLY  27           HN       GLY  27   5.143  -4.957   2.309
  189   1HA   GLY  27          HA2       GLY  27   5.364  -7.393   1.734
  190   2HA   GLY  27          HA1       GLY  27   3.945  -7.658   2.740
  191    H    LYS  28           HN       LYS  28   2.233  -5.762   2.162
  192    HA   LYS  28           HA       LYS  28   1.990  -5.329  -0.703
  193   1HB   LYS  28          HB2       LYS  28  -0.047  -6.590  -1.030
  194   2HB   LYS  28          HB1       LYS  28   1.246  -7.660  -0.497
  195   1HG   LYS  28          HG2       LYS  28   0.346  -7.753   1.747
  196   2HG   LYS  28          HG1       LYS  28  -0.924  -6.579   1.336
  197   1HD   LYS  28          HD2       LYS  28  -1.813  -8.162  -0.356
  198   2HD   LYS  28          HD1       LYS  28  -0.586  -9.344   0.131
  199   1HE   LYS  28          HE2       LYS  28  -1.543  -9.484   2.344
  200   2HE   LYS  28          HE1       LYS  28  -2.689  -8.193   1.971
  201   1HZ   LYS  28          HZ1       LYS  28  -3.705 -10.339   1.807
  202   2HZ   LYS  28          HZ2       LYS  28  -2.594 -10.852   0.645
  203   3HZ   LYS  28          HZ3       LYS  28  -3.695  -9.603   0.287
  204    H    CYS  29           HN       CYS  29   0.078  -4.255  -1.276
  205    HA   CYS  29           HA       CYS  29  -0.459  -2.151   0.675
  206   1HB   CYS  29          HB2       CYS  29   0.225  -1.768  -1.722
  207   2HB   CYS  29          HB1       CYS  29  -1.352  -2.299  -2.196
  208    H    LEU  30           HN       LEU  30  -2.330  -1.713   1.530
  209    HA   LEU  30           HA       LEU  30  -4.642  -3.527   0.992
  210   1HB   LEU  30          HB2       LEU  30  -3.754  -2.419   3.680
  211   2HB   LEU  30          HB1       LEU  30  -5.117  -3.502   3.379
  212    HG   LEU  30           HG       LEU  30  -2.187  -4.197   3.037
  213   1HD1  LEU  30          HD11      LEU  30  -2.493  -5.593   4.957
  214   2HD1  LEU  30          HD12      LEU  30  -4.190  -5.138   5.100
  215   3HD1  LEU  30          HD13      LEU  30  -2.917  -3.940   5.384
  216   1HD2  LEU  30          HD21      LEU  30  -3.354  -5.510   1.451
  217   2HD2  LEU  30          HD22      LEU  30  -4.721  -5.774   2.535
  218   3HD2  LEU  30          HD23      LEU  30  -3.168  -6.520   2.864
  219    H    VAL  31           HN       VAL  31  -6.640  -2.697   1.813
  220    HA   VAL  31           HA       VAL  31  -6.982   0.115   1.012
  221    HB   VAL  31           HB       VAL  31  -9.100  -1.919   1.818
  222   1HG1  VAL  31          HG11      VAL  31  -9.234   0.828   0.541
  223   2HG1  VAL  31          HG12      VAL  31 -10.011   0.270   2.033
  224   3HG1  VAL  31          HG13      VAL  31 -10.549  -0.340   0.482
  225   1HG2  VAL  31          HG21      VAL  31  -8.196  -1.165  -0.967
  226   2HG2  VAL  31          HG22      VAL  31  -9.522  -2.231  -0.531
  227   3HG2  VAL  31          HG23      VAL  31  -7.875  -2.694  -0.141
  228    H    GLN  32           HN       GLN  32  -7.433   1.718   2.337
  229    HA   GLN  32           HA       GLN  32  -7.204   1.298   5.201
  230   1HB   GLN  32          HB2       GLN  32  -6.319   3.315   4.153
  231   2HB   GLN  32          HB1       GLN  32  -7.932   3.800   3.620
  232   1HG   GLN  32          HG2       GLN  32  -8.647   4.059   5.957
  233   2HG   GLN  32          HG1       GLN  32  -7.085   3.459   6.521
  234   1HE2  GLN  32          HE21      GLN  32  -8.509   6.004   6.998
  235   2HE2  GLN  32          HE22      GLN  32  -7.386   7.216   6.495
  236    H    VAL  33           HN       VAL  33  -8.898  -0.286   5.079
  237    HA   VAL  33           HA       VAL  33 -11.608   0.900   5.326
  238    HB   VAL  33           HB       VAL  33 -11.545  -0.767   3.565
  239   1HG1  VAL  33          HG11      VAL  33  -9.584  -2.080   4.429
  240   2HG1  VAL  33          HG12      VAL  33 -10.943  -3.029   3.885
  241   3HG1  VAL  33          HG13      VAL  33 -10.669  -2.828   5.603
  242   1HG2  VAL  33          HG21      VAL  33 -12.926  -2.011   5.954
  243   2HG2  VAL  33          HG22      VAL  33 -13.365  -2.088   4.256
  244   3HG2  VAL  33          HG23      VAL  33 -13.533  -0.568   5.122
  245   1HG   HSL  34          HG1       HSL  34 -13.241   2.377  11.333
  246   2HG   HSL  34          HG2       HSL  34 -11.918   1.392  11.993
  247    H    HSL  34           HN       HSL  34 -12.173   1.206   7.269
  248    HA   HSL  34           HA       HSL  34 -11.020  -0.150   9.258
  249   1HB   HSL  34          HB1       HSL  34 -10.793   1.930  10.130
  250   2HB   HSL  34          HB2       HSL  34 -12.250   2.534   9.333
  Start of MODEL    9
    1   1H    ALA   1           HT1      ALA   1   1.121   4.879 -13.153
    2   2H    ALA   1           HT2      ALA   1   2.013   5.406 -11.816
    3   3H    ALA   1           HT3      ALA   1   0.311   5.357 -11.751
    4    HA   ALA   1           HA       ALA   1   0.335   2.955 -11.994
    5   1HB   ALA   1          HB1       ALA   1   3.351   3.238 -11.862
    6   2HB   ALA   1          HB2       ALA   1   2.399   2.811 -13.280
    7   3HB   ALA   1          HB3       ALA   1   2.444   1.713 -11.906
    8    H    CYS   2           HN       CYS   2  -0.762   3.673 -10.184
    9    HA   CYS   2           HA       CYS   2   0.738   3.882  -7.677
   10   1HB   CYS   2          HB2       CYS   2  -1.408   4.448  -6.684
   11   2HB   CYS   2          HB1       CYS   2  -1.030   5.473  -8.012
   12    H    GLY   3           HN       GLY   3   0.724   2.431  -6.120
   13   1HA   GLY   3          HA2       GLY   3   0.375  -0.257  -6.582
   14   2HA   GLY   3          HA1       GLY   3   0.526   0.491  -5.000
   15    H    ILE   4           HN       ILE   4  -1.220  -1.630  -6.297
   16    HA   ILE   4           HA       ILE   4  -3.912  -0.606  -5.672
   17    HB   ILE   4           HB       ILE   4  -4.710  -2.723  -6.756
   18   1HG1  ILE   4          HG12      ILE   4  -1.795  -3.038  -7.542
   19   2HG1  ILE   4          HG11      ILE   4  -2.629  -4.078  -6.379
   20   1HG2  ILE   4          HG21      ILE   4  -2.948  -0.986  -8.498
   21   2HG2  ILE   4          HG22      ILE   4  -4.581  -0.586  -7.948
   22   3HG2  ILE   4          HG23      ILE   4  -4.334  -1.966  -9.001
   23   1HD1  ILE   4          HD11      ILE   4  -4.164  -4.764  -8.183
   24   2HD1  ILE   4          HD12      ILE   4  -2.471  -5.165  -8.453
   25   3HD1  ILE   4          HD13      ILE   4  -3.191  -3.811  -9.315
   26    H    LEU   5           HN       LEU   5  -5.382  -2.084  -4.799
   27    HA   LEU   5           HA       LEU   5  -4.939  -2.435  -2.128
   28   1HB   LEU   5          HB2       LEU   5  -7.106  -3.499  -2.007
   29   2HB   LEU   5          HB1       LEU   5  -7.129  -2.163  -3.137
   30    HG   LEU   5           HG       LEU   5  -6.831  -5.011  -4.101
   31   1HD1  LEU   5          HD11      LEU   5  -8.873  -4.884  -2.793
   32   2HD1  LEU   5          HD12      LEU   5  -9.171  -5.075  -4.516
   33   3HD1  LEU   5          HD13      LEU   5  -9.395  -3.496  -3.764
   34   1HD2  LEU   5          HD21      LEU   5  -7.469  -2.370  -5.409
   35   2HD2  LEU   5          HD22      LEU   5  -7.944  -3.909  -6.124
   36   3HD2  LEU   5          HD23      LEU   5  -6.254  -3.580  -5.836
   37    H    HIS   6           HN       HIS   6  -3.970  -4.590  -4.567
   38    HA   HIS   6           HA       HIS   6  -2.934  -6.395  -2.485
   39   1HB   HIS   6          HB2       HIS   6  -3.561  -8.373  -3.880
   40   2HB   HIS   6          HB1       HIS   6  -4.943  -7.503  -3.236
   41    HD1  HIS   6           HD1      HIS   6  -3.103  -8.050  -6.492
   42    HD2  HIS   6           HD2      HIS   6  -6.746  -6.658  -5.091
   43    HE1  HIS   6           HE1      HIS   6  -4.504  -7.641  -8.531
   44    HE2  HIS   6           HE2      HIS   6  -6.650  -6.652  -7.665
   45    H    ASP   7           HN       ASP   7  -1.527  -4.494  -3.394
   46    HA   ASP   7           HA       ASP   7   0.244  -5.722  -5.466
   47   1HB   ASP   7          HB2       ASP   7  -0.831  -3.365  -5.718
   48   2HB   ASP   7          HB1       ASP   7   0.371  -2.813  -4.619
   49    H    ASN   8           HN       ASN   8   2.012  -6.513  -4.788
   50    HA   ASN   8           HA       ASN   8   2.745  -6.684  -2.080
   51   1HB   ASN   8          HB2       ASN   8   3.418  -8.332  -3.742
   52   2HB   ASN   8          HB1       ASN   8   4.430  -7.162  -4.579
   53   1HD2  ASN   8          HD21      ASN   8   6.425  -6.538  -3.619
   54   2HD2  ASN   8          HD22      ASN   8   7.103  -7.467  -2.331
   55    H    CYS   9           HN       CYS   9   3.843  -5.380  -0.807
   56    HA   CYS   9           HA       CYS   9   5.638  -3.336  -1.713
   57   1HB   CYS   9          HB2       CYS   9   3.381  -2.431  -2.379
   58   2HB   CYS   9          HB1       CYS   9   2.913  -2.431  -0.687
   59    H    VAL  10           HN       VAL  10   6.605  -2.216  -0.109
   60    HA   VAL  10           HA       VAL  10   6.422  -3.461   2.571
   61    HB   VAL  10           HB       VAL  10   8.604  -2.425   3.016
   62   1HG1  VAL  10          HG11      VAL  10   8.521  -4.668   2.044
   63   2HG1  VAL  10          HG12      VAL  10   9.935  -3.762   1.522
   64   3HG1  VAL  10          HG13      VAL  10   8.577  -3.966   0.417
   65   1HG2  VAL  10          HG21      VAL  10   9.841  -1.312   1.253
   66   2HG2  VAL  10          HG22      VAL  10   8.393  -0.401   1.604
   67   3HG2  VAL  10          HG23      VAL  10   8.473  -1.411   0.160
   68    H    TYR  11           HN       TYR  11   7.048  -1.895   4.346
   69    HA   TYR  11           HA       TYR  11   4.793  -0.054   4.452
   70   1HB   TYR  11          HB2       TYR  11   5.411  -1.639   6.268
   71   2HB   TYR  11          HB1       TYR  11   6.857  -0.716   6.593
   72    HD1  TYR  11           HD1      TYR  11   6.756   1.245   7.958
   73    HD2  TYR  11           HD2      TYR  11   3.125  -0.503   6.535
   74    HE1  TYR  11           HE1      TYR  11   5.462   2.709   9.431
   75    HE2  TYR  11           HE2      TYR  11   1.847   0.895   8.072
   76    HH   TYR  11           HH       TYR  11   2.437   2.246  10.374
   77    H    VAL  12           HN       VAL  12   5.693   1.287   2.777
   78    HA   VAL  12           HA       VAL  12   7.513   3.353   3.920
   79    HB   VAL  12           HB       VAL  12   8.212   3.864   1.564
   80   1HG1  VAL  12          HG11      VAL  12   8.966   1.191   2.763
   81   2HG1  VAL  12          HG12      VAL  12   9.734   2.758   3.042
   82   3HG1  VAL  12          HG13      VAL  12   9.831   2.001   1.458
   83   1HG2  VAL  12          HG21      VAL  12   6.461   2.711   0.297
   84   2HG2  VAL  12          HG22      VAL  12   6.940   1.166   1.002
   85   3HG2  VAL  12          HG23      VAL  12   8.031   2.027  -0.067
   86    HA   PRO  13           HA       PRO  13   3.478   5.356   3.174
   87   1HB   PRO  13          HB2       PRO  13   4.226   6.921   5.547
   88   2HB   PRO  13          HB1       PRO  13   2.846   5.859   5.268
   89   1HG   PRO  13          HG2       PRO  13   4.859   5.254   6.965
   90   2HG   PRO  13          HG1       PRO  13   3.921   4.020   6.103
   91   1HD   PRO  13          HD2       PRO  13   6.653   5.114   5.490
   92   2HD   PRO  13          HD1       PRO  13   6.021   3.472   5.475
   93    H    ALA  14           HN       ALA  14   6.628   6.622   4.023
   94    HA   ALA  14           HA       ALA  14   6.350   9.321   3.531
   95   1HB   ALA  14          HB1       ALA  14   8.290   8.295   4.582
   96   2HB   ALA  14          HB2       ALA  14   8.777   9.360   3.268
   97   3HB   ALA  14          HB3       ALA  14   8.797   7.598   3.047
   98    H    GLN  15           HN       GLN  15   6.833   6.653   1.354
   99    HA   GLN  15           HA       GLN  15   6.012   8.406  -0.874
  100   1HB   GLN  15          HB2       GLN  15   8.458   8.152  -1.027
  101   2HB   GLN  15          HB1       GLN  15   8.326   6.409  -0.875
  102   1HG   GLN  15          HG2       GLN  15   8.752   7.189  -3.164
  103   2HG   GLN  15          HG1       GLN  15   7.300   6.225  -3.060
  104   1HE2  GLN  15          HE21      GLN  15   6.386   7.085  -4.931
  105   2HE2  GLN  15          HE22      GLN  15   5.854   8.727  -5.014
  106    H    ASN  16           HN       ASN  16   4.189   7.241   0.332
  107    HA   ASN  16           HA       ASN  16   3.613   4.544  -0.244
  108   1HB   ASN  16          HB2       ASN  16   2.341   5.866   1.380
  109   2HB   ASN  16          HB1       ASN  16   1.643   6.845   0.096
  110   1HD2  ASN  16          HD21      ASN  16  -0.489   6.261   0.438
  111   2HD2  ASN  16          HD22      ASN  16  -1.054   4.659   0.178
  112    HA   PRO  17           HA       PRO  17   3.386   5.306  -4.682
  113   1HB   PRO  17          HB2       PRO  17   3.691   2.753  -5.434
  114   2HB   PRO  17          HB1       PRO  17   5.004   3.641  -4.655
  115   1HG   PRO  17          HG2       PRO  17   3.062   1.717  -3.386
  116   2HG   PRO  17          HG1       PRO  17   4.833   1.762  -3.286
  117   1HD   PRO  17          HD2       PRO  17   3.231   2.841  -1.401
  118   2HD   PRO  17          HD1       PRO  17   4.849   3.450  -1.755
  119    H    CYS  18           HN       CYS  18   1.232   3.815  -2.596
  120    HA   CYS  18           HA       CYS  18  -0.457   2.527  -4.459
  121   1HB   CYS  18          HB2       CYS  18  -0.756   3.157  -1.540
  122   2HB   CYS  18          HB1       CYS  18  -1.907   2.237  -2.481
  123    H    CYS  19           HN       CYS  19  -2.469   2.972  -4.994
  124    HA   CYS  19           HA       CYS  19  -3.135   5.641  -5.674
  125   1HB   CYS  19          HB2       CYS  19  -5.201   3.453  -5.268
  126   2HB   CYS  19          HB1       CYS  19  -5.185   4.773  -6.443
  127    H    ARG  20           HN       ARG  20  -4.299   7.137  -4.675
  128    HA   ARG  20           HA       ARG  20  -4.144   7.205  -1.841
  129   1HB   ARG  20          HB2       ARG  20  -5.381   8.969  -3.937
  130   2HB   ARG  20          HB1       ARG  20  -5.772   9.272  -2.248
  131   1HG   ARG  20          HG2       ARG  20  -3.889  10.620  -3.107
  132   2HG   ARG  20          HG1       ARG  20  -3.496   9.665  -1.678
  133   1HD   ARG  20          HD2       ARG  20  -2.457   7.963  -3.178
  134   2HD   ARG  20          HD1       ARG  20  -2.781   9.017  -4.553
  135    HE   ARG  20           HE       ARG  20  -1.345  10.698  -3.283
  136   1HH1  ARG  20          HH11      ARG  20  -0.821   7.202  -3.175
  137   2HH1  ARG  20          HH12      ARG  20   0.832   7.382  -2.815
  138   1HH2  ARG  20          HH21      ARG  20   0.861  10.856  -2.780
  139   2HH2  ARG  20          HH22      ARG  20   1.810   9.421  -2.583
  140    H    GLY  21           HN       GLY  21  -5.243   6.317  -0.429
  141   1HA   GLY  21          HA2       GLY  21  -7.478   5.768   0.456
  142   2HA   GLY  21          HA1       GLY  21  -7.901   5.133  -1.131
  143    H    LEU  22           HN       LEU  22  -4.957   4.282  -1.245
  144    HA   LEU  22           HA       LEU  22  -5.158   1.801   0.386
  145   1HB   LEU  22          HB2       LEU  22  -3.740   2.163  -2.268
  146   2HB   LEU  22          HB1       LEU  22  -3.996   0.661  -1.392
  147    HG   LEU  22           HG       LEU  22  -6.198   2.320  -2.635
  148   1HD1  LEU  22          HD11      LEU  22  -4.879  -0.168  -3.667
  149   2HD1  LEU  22          HD12      LEU  22  -4.672   1.436  -4.354
  150   3HD1  LEU  22          HD13      LEU  22  -6.248   0.652  -4.380
  151   1HD2  LEU  22          HD21      LEU  22  -7.061   0.985  -0.840
  152   2HD2  LEU  22          HD22      LEU  22  -6.140  -0.435  -1.366
  153   3HD2  LEU  22          HD23      LEU  22  -7.460   0.187  -2.352
  154    H    GLN  23           HN       GLN  23  -3.322   1.087   1.327
  155    HA   GLN  23           HA       GLN  23  -0.951   2.851   1.256
  156   1HB   GLN  23          HB2       GLN  23  -2.479   3.493   3.148
  157   2HB   GLN  23          HB1       GLN  23  -2.245   1.885   3.839
  158   1HG   GLN  23          HG2       GLN  23   0.301   2.470   3.791
  159   2HG   GLN  23          HG1       GLN  23  -0.240   4.116   3.459
  160   1HE2  GLN  23          HE21      GLN  23  -0.068   1.548   5.805
  161   2HE2  GLN  23          HE22      GLN  23  -0.511   2.531   7.154
  162    H    CYS  24           HN       CYS  24   0.857   1.893   1.314
  163    HA   CYS  24           HA       CYS  24   1.119  -0.930   1.142
  164   1HB   CYS  24          HB2       CYS  24   3.127   1.278   1.536
  165   2HB   CYS  24          HB1       CYS  24   3.564  -0.421   1.412
  166    H    ARG  25           HN       ARG  25   1.162  -2.374   2.609
  167    HA   ARG  25           HA       ARG  25   2.385  -1.729   5.245
  168   1HB   ARG  25          HB2       ARG  25   0.072  -3.620   4.671
  169   2HB   ARG  25          HB1       ARG  25   0.898  -3.449   6.237
  170   1HG   ARG  25          HG2       ARG  25   0.170  -1.017   6.223
  171   2HG   ARG  25          HG1       ARG  25  -0.815  -1.407   4.803
  172   1HD   ARG  25          HD2       ARG  25  -2.142  -1.475   6.783
  173   2HD   ARG  25          HD1       ARG  25  -2.018  -3.090   6.122
  174    HE   ARG  25           HE       ARG  25  -0.447  -2.059   8.449
  175   1HH1  ARG  25          HH11      ARG  25  -2.252  -4.656   6.923
  176   2HH1  ARG  25          HH12      ARG  25  -1.912  -5.773   8.157
  177   1HH2  ARG  25          HH21      ARG  25  -0.031  -3.577  10.097
  178   2HH2  ARG  25          HH22      ARG  25  -0.674  -5.181   9.975
  179    H    TYR  26           HN       TYR  26   3.892  -2.937   5.854
  180    HA   TYR  26           HA       TYR  26   5.641  -4.107   4.247
  181   1HB   TYR  26          HB2       TYR  26   6.453  -5.488   6.275
  182   2HB   TYR  26          HB1       TYR  26   6.390  -3.739   6.381
  183    HD1  TYR  26           HD1      TYR  26   4.691  -2.611   7.770
  184    HD2  TYR  26           HD2      TYR  26   4.952  -6.867   7.635
  185    HE1  TYR  26           HE1      TYR  26   3.334  -2.737   9.769
  186    HE2  TYR  26           HE2      TYR  26   3.581  -6.994   9.658
  187    HH   TYR  26           HH       TYR  26   3.158  -5.194  11.727
  188    H    GLY  27           HN       GLY  27   4.932  -5.260   2.649
  189   1HA   GLY  27          HA2       GLY  27   5.041  -7.751   2.198
  190   2HA   GLY  27          HA1       GLY  27   3.573  -7.857   3.164
  191    H    LYS  28           HN       LYS  28   2.037  -5.876   2.450
  192    HA   LYS  28           HA       LYS  28   1.873  -5.638  -0.451
  193   1HB   LYS  28          HB2       LYS  28  -0.337  -6.678  -0.660
  194   2HB   LYS  28          HB1       LYS  28   0.880  -7.837  -0.171
  195   1HG   LYS  28          HG2       LYS  28  -1.099  -6.533   1.743
  196   2HG   LYS  28          HG1       LYS  28  -1.315  -8.076   0.927
  197   1HD   LYS  28          HD2       LYS  28   1.079  -8.582   2.031
  198   2HD   LYS  28          HD1       LYS  28   0.527  -7.332   3.150
  199   1HE   LYS  28          HE2       LYS  28  -0.879  -9.926   2.481
  200   2HE   LYS  28          HE1       LYS  28  -0.029  -9.527   3.969
  201   1HZ   LYS  28          HZ1       LYS  28  -2.200  -9.170   4.516
  202   2HZ   LYS  28          HZ2       LYS  28  -2.628  -8.537   3.018
  203   3HZ   LYS  28          HZ3       LYS  28  -1.732  -7.599   4.114
  204    H    CYS  29           HN       CYS  29   0.346  -4.287  -1.162
  205    HA   CYS  29           HA       CYS  29  -0.265  -2.092   0.610
  206   1HB   CYS  29          HB2       CYS  29   0.516  -1.733  -1.685
  207   2HB   CYS  29          HB1       CYS  29  -0.913  -2.507  -2.315
  208    H    LEU  30           HN       LEU  30  -2.073  -1.702   1.548
  209    HA   LEU  30           HA       LEU  30  -4.442  -3.410   0.908
  210   1HB   LEU  30          HB2       LEU  30  -3.342  -2.626   3.632
  211   2HB   LEU  30          HB1       LEU  30  -4.874  -3.463   3.363
  212    HG   LEU  30           HG       LEU  30  -2.137  -4.581   2.680
  213   1HD1  LEU  30          HD11      LEU  30  -2.041  -4.819   4.883
  214   2HD1  LEU  30          HD12      LEU  30  -3.133  -6.165   4.622
  215   3HD1  LEU  30          HD13      LEU  30  -3.770  -4.616   5.155
  216   1HD2  LEU  30          HD21      LEU  30  -3.411  -6.686   2.443
  217   2HD2  LEU  30          HD22      LEU  30  -3.826  -5.514   1.213
  218   3HD2  LEU  30          HD23      LEU  30  -4.918  -5.793   2.582
  219    H    VAL  31           HN       VAL  31  -6.390  -2.604   1.614
  220    HA   VAL  31           HA       VAL  31  -6.725   0.229   1.126
  221    HB   VAL  31           HB       VAL  31  -8.831  -1.608   2.327
  222   1HG1  VAL  31          HG11      VAL  31  -9.056   0.825   0.533
  223   2HG1  VAL  31          HG12      VAL  31  -9.322   0.834   2.279
  224   3HG1  VAL  31          HG13      VAL  31 -10.370  -0.108   1.235
  225   1HG2  VAL  31          HG21      VAL  31  -7.923  -2.738   0.342
  226   2HG2  VAL  31          HG22      VAL  31  -8.213  -1.285  -0.612
  227   3HG2  VAL  31          HG23      VAL  31  -9.557  -2.151   0.099
  228    H    GLN  32           HN       GLN  32  -6.116   1.600   2.510
  229    HA   GLN  32           HA       GLN  32  -5.125   1.086   5.040
  230   1HB   GLN  32          HB2       GLN  32  -5.168   3.536   5.416
  231   2HB   GLN  32          HB1       GLN  32  -4.532   3.045   3.852
  232   1HG   GLN  32          HG2       GLN  32  -6.676   3.604   2.798
  233   2HG   GLN  32          HG1       GLN  32  -7.304   4.146   4.336
  234   1HE2  GLN  32          HE21      GLN  32  -6.517   6.047   5.259
  235   2HE2  GLN  32          HE22      GLN  32  -5.654   7.189   4.293
  236    H    VAL  33           HN       VAL  33  -8.331   1.945   4.072
  237    HA   VAL  33           HA       VAL  33  -9.278   1.676   6.875
  238    HB   VAL  33           HB       VAL  33  -9.792   3.842   5.846
  239   1HG1  VAL  33          HG11      VAL  33  -9.863   3.066   3.463
  240   2HG1  VAL  33          HG12      VAL  33 -11.206   4.077   3.951
  241   3HG1  VAL  33          HG13      VAL  33 -11.448   2.348   3.790
  242   1HG2  VAL  33          HG21      VAL  33 -11.372   2.702   7.463
  243   2HG2  VAL  33          HG22      VAL  33 -12.343   2.226   6.058
  244   3HG2  VAL  33          HG23      VAL  33 -12.073   3.924   6.414
  245   1HG   HSL  34          HG1       HSL  34 -12.581  -4.105   7.347
  246   2HG   HSL  34          HG2       HSL  34 -12.859  -3.038   8.740
  247    H    HSL  34           HN       HSL  34 -10.736   0.242   7.375
  248    HA   HSL  34           HA       HSL  34 -11.384  -1.905   5.253
  249   1HB   HSL  34          HB1       HSL  34 -10.643  -3.009   7.089
  250   2HB   HSL  34          HB2       HSL  34 -11.137  -1.719   8.190
  Start of MODEL   10
    1   1H    ALA   1           HT1      ALA   1   1.740   4.259 -12.757
    2   2H    ALA   1           HT2      ALA   1   2.446   4.915 -11.368
    3   3H    ALA   1           HT3      ALA   1   0.769   4.619 -11.424
    4    HA   ALA   1           HA       ALA   1   1.158   2.242 -11.627
    5   1HB   ALA   1          HB1       ALA   1   4.084   2.959 -11.290
    6   2HB   ALA   1          HB2       ALA   1   3.307   2.388 -12.763
    7   3HB   ALA   1          HB3       ALA   1   3.411   1.318 -11.369
    8    H    CYS   2           HN       CYS   2  -0.172   2.897  -9.932
    9    HA   CYS   2           HA       CYS   2   1.081   3.437  -7.335
   10   1HB   CYS   2          HB2       CYS   2  -1.076   3.997  -6.581
   11   2HB   CYS   2          HB1       CYS   2  -0.930   4.697  -8.155
   12    H    GLY   3           HN       GLY   3   0.867   2.126  -5.601
   13   1HA   GLY   3          HA2       GLY   3   0.501  -0.615  -5.840
   14   2HA   GLY   3          HA1       GLY   3   0.539   0.291  -4.340
   15    H    ILE   4           HN       ILE   4  -1.280  -1.748  -5.929
   16    HA   ILE   4           HA       ILE   4  -3.886  -0.559  -5.372
   17    HB   ILE   4           HB       ILE   4  -4.819  -2.563  -6.513
   18   1HG1  ILE   4          HG12      ILE   4  -1.948  -3.190  -7.183
   19   2HG1  ILE   4          HG11      ILE   4  -2.860  -4.115  -5.978
   20   1HG2  ILE   4          HG21      ILE   4  -2.767  -1.060  -8.140
   21   2HG2  ILE   4          HG22      ILE   4  -4.380  -0.479  -7.701
   22   3HG2  ILE   4          HG23      ILE   4  -4.216  -1.893  -8.724
   23   1HD1  ILE   4          HD11      ILE   4  -3.351  -3.887  -8.934
   24   2HD1  ILE   4          HD12      ILE   4  -4.442  -4.703  -7.801
   25   3HD1  ILE   4          HD13      ILE   4  -2.793  -5.280  -8.016
   26    H    LEU   5           HN       LEU   5  -5.493  -2.258  -4.713
   27    HA   LEU   5           HA       LEU   5  -5.333  -2.354  -2.000
   28   1HB   LEU   5          HB2       LEU   5  -7.410  -3.529  -2.021
   29   2HB   LEU   5          HB1       LEU   5  -7.395  -2.347  -3.306
   30    HG   LEU   5           HG       LEU   5  -6.869  -5.289  -3.783
   31   1HD1  LEU   5          HD11      LEU   5  -9.091  -5.020  -2.826
   32   2HD1  LEU   5          HD12      LEU   5  -9.127  -5.489  -4.521
   33   3HD1  LEU   5          HD13      LEU   5  -9.470  -3.819  -4.074
   34   1HD2  LEU   5          HD21      LEU   5  -7.611  -4.604  -6.101
   35   2HD2  LEU   5          HD22      LEU   5  -6.027  -4.057  -5.602
   36   3HD2  LEU   5          HD23      LEU   5  -7.392  -2.928  -5.595
   37    H    HIS   6           HN       HIS   6  -3.956  -4.666  -4.099
   38    HA   HIS   6           HA       HIS   6  -2.868  -6.033  -1.762
   39   1HB   HIS   6          HB2       HIS   6  -3.465  -8.271  -2.566
   40   2HB   HIS   6          HB1       HIS   6  -4.902  -7.322  -2.233
   41    HD1  HIS   6           HD1      HIS   6  -2.881  -8.624  -5.161
   42    HD2  HIS   6           HD2      HIS   6  -6.656  -7.132  -4.312
   43    HE1  HIS   6           HE1      HIS   6  -4.212  -8.905  -7.266
   44    HE2  HIS   6           HE2      HIS   6  -6.442  -7.840  -6.784
   45    H    ASP   7           HN       ASP   7  -1.608  -4.285  -3.227
   46    HA   ASP   7           HA       ASP   7   0.011  -5.840  -5.181
   47   1HB   ASP   7          HB2       ASP   7  -0.760  -3.764  -6.016
   48   2HB   ASP   7          HB1       ASP   7  -0.148  -2.846  -4.670
   49    H    ASN   8           HN       ASN   8   1.840  -6.578  -4.660
   50    HA   ASN   8           HA       ASN   8   2.840  -6.440  -2.020
   51   1HB   ASN   8          HB2       ASN   8   4.039  -7.539  -4.536
   52   2HB   ASN   8          HB1       ASN   8   4.802  -7.709  -2.948
   53   1HD2  ASN   8          HD21      ASN   8   3.802  -9.012  -1.367
   54   2HD2  ASN   8          HD22      ASN   8   2.630 -10.191  -1.838
   55    H    CYS   9           HN       CYS   9   4.069  -5.101  -1.065
   56    HA   CYS   9           HA       CYS   9   6.035  -3.467  -2.375
   57   1HB   CYS   9          HB2       CYS   9   4.949  -1.301  -1.757
   58   2HB   CYS   9          HB1       CYS   9   4.045  -2.203  -2.957
   59    H    VAL  10           HN       VAL  10   6.859  -1.804  -0.804
   60    HA   VAL  10           HA       VAL  10   7.194  -3.140   1.840
   61    HB   VAL  10           HB       VAL  10   9.273  -1.814   2.052
   62   1HG1  VAL  10          HG11      VAL  10   9.352  -4.093   1.164
   63   2HG1  VAL  10          HG12      VAL  10  10.590  -3.056   0.465
   64   3HG1  VAL  10          HG13      VAL  10   9.159  -3.460  -0.481
   65   1HG2  VAL  10          HG21      VAL  10  10.190  -0.654   0.133
   66   2HG2  VAL  10          HG22      VAL  10   8.683   0.107   0.593
   67   3HG2  VAL  10          HG23      VAL  10   8.745  -0.962  -0.812
   68    H    TYR  11           HN       TYR  11   7.303  -1.942   3.673
   69    HA   TYR  11           HA       TYR  11   5.019  -0.141   3.781
   70   1HB   TYR  11          HB2       TYR  11   5.490  -1.998   5.393
   71   2HB   TYR  11          HB1       TYR  11   6.800  -1.077   6.072
   72    HD1  TYR  11           HD1      TYR  11   6.312   0.900   7.469
   73    HD2  TYR  11           HD2      TYR  11   3.182  -1.329   5.726
   74    HE1  TYR  11           HE1      TYR  11   4.690   2.007   8.927
   75    HE2  TYR  11           HE2      TYR  11   1.541  -0.262   7.159
   76    HH   TYR  11           HH       TYR  11   1.814   0.954   9.637
   77    H    VAL  12           HN       VAL  12   6.063   1.460   2.496
   78    HA   VAL  12           HA       VAL  12   7.616   3.355   4.193
   79    HB   VAL  12           HB       VAL  12   7.783   3.095   1.181
   80   1HG1  VAL  12          HG11      VAL  12   8.077   5.402   1.846
   81   2HG1  VAL  12          HG12      VAL  12   9.637   4.728   1.466
   82   3HG1  VAL  12          HG13      VAL  12   9.170   4.948   3.148
   83   1HG2  VAL  12          HG21      VAL  12  10.032   2.324   1.529
   84   2HG2  VAL  12          HG22      VAL  12   8.923   1.243   2.359
   85   3HG2  VAL  12          HG23      VAL  12   9.861   2.427   3.280
   86    HA   PRO  13           HA       PRO  13   3.392   5.034   3.467
   87   1HB   PRO  13          HB2       PRO  13   3.447   6.566   5.764
   88   2HB   PRO  13          HB1       PRO  13   2.935   4.886   5.681
   89   1HG   PRO  13          HG2       PRO  13   5.588   5.988   6.511
   90   2HG   PRO  13          HG1       PRO  13   4.612   4.705   7.251
   91   1HD   PRO  13          HD2       PRO  13   6.712   4.168   5.731
   92   2HD   PRO  13          HD1       PRO  13   5.278   3.115   5.711
   93    H    ALA  14           HN       ALA  14   6.354   6.668   4.469
   94    HA   ALA  14           HA       ALA  14   5.607   9.316   3.871
   95   1HB   ALA  14          HB1       ALA  14   7.542   8.728   5.221
   96   2HB   ALA  14          HB2       ALA  14   7.992   9.818   3.915
   97   3HB   ALA  14          HB3       ALA  14   8.377   8.088   3.809
   98    H    GLN  15           HN       GLN  15   6.646   6.682   1.924
   99    HA   GLN  15           HA       GLN  15   6.137   8.286  -0.516
  100   1HB   GLN  15          HB2       GLN  15   8.371   6.298   0.029
  101   2HB   GLN  15          HB1       GLN  15   7.913   6.829  -1.593
  102   1HG   GLN  15          HG2       GLN  15   8.433   9.163  -0.936
  103   2HG   GLN  15          HG1       GLN  15   8.982   8.572   0.639
  104   1HE2  GLN  15          HE21      GLN  15  10.935   7.455   0.788
  105   2HE2  GLN  15          HE22      GLN  15  12.056   7.449  -0.526
  106    H    ASN  16           HN       ASN  16   4.194   7.088   0.704
  107    HA   ASN  16           HA       ASN  16   3.706   4.393   0.137
  108   1HB   ASN  16          HB2       ASN  16   2.338   5.732   1.660
  109   2HB   ASN  16          HB1       ASN  16   1.687   6.665   0.319
  110   1HD2  ASN  16          HD21      ASN  16  -0.446   6.052   0.662
  111   2HD2  ASN  16          HD22      ASN  16  -0.979   4.433   0.428
  112    HA   PRO  17           HA       PRO  17   3.700   4.927  -4.311
  113   1HB   PRO  17          HB2       PRO  17   3.870   2.332  -4.928
  114   2HB   PRO  17          HB1       PRO  17   5.183   3.150  -4.074
  115   1HG   PRO  17          HG2       PRO  17   2.984   1.451  -2.894
  116   2HG   PRO  17          HG1       PRO  17   4.740   1.343  -2.663
  117   1HD   PRO  17          HD2       PRO  17   3.132   2.615  -0.931
  118   2HD   PRO  17          HD1       PRO  17   4.820   3.108  -1.214
  119    H    CYS  18           HN       CYS  18   1.288   3.775  -2.331
  120    HA   CYS  18           HA       CYS  18  -0.354   2.451  -4.207
  121   1HB   CYS  18          HB2       CYS  18  -0.873   3.363  -1.414
  122   2HB   CYS  18          HB1       CYS  18  -1.913   2.329  -2.358
  123    H    CYS  19           HN       CYS  19  -2.356   2.969  -4.864
  124    HA   CYS  19           HA       CYS  19  -2.808   5.665  -5.655
  125   1HB   CYS  19          HB2       CYS  19  -4.338   3.117  -5.730
  126   2HB   CYS  19          HB1       CYS  19  -5.316   4.576  -5.802
  127    H    ARG  20           HN       ARG  20  -4.380   7.079  -5.024
  128    HA   ARG  20           HA       ARG  20  -4.149   7.703  -2.283
  129   1HB   ARG  20          HB2       ARG  20  -4.409   9.370  -4.014
  130   2HB   ARG  20          HB1       ARG  20  -6.041   8.807  -4.392
  131   1HG   ARG  20          HG2       ARG  20  -6.756   9.492  -2.089
  132   2HG   ARG  20          HG1       ARG  20  -5.115  10.091  -1.798
  133   1HD   ARG  20          HD2       ARG  20  -6.711  11.833  -2.410
  134   2HD   ARG  20          HD1       ARG  20  -5.356  11.711  -3.534
  135    HE   ARG  20           HE       ARG  20  -7.907  10.332  -4.169
  136   1HH1  ARG  20          HH11      ARG  20  -5.702  13.007  -4.855
  137   2HH1  ARG  20          HH12      ARG  20  -6.431  13.332  -6.371
  138   1HH2  ARG  20          HH21      ARG  20  -8.807  10.793  -6.188
  139   2HH2  ARG  20          HH22      ARG  20  -8.185  12.101  -7.138
  140    H    GLY  21           HN       GLY  21  -4.942   6.494  -0.806
  141   1HA   GLY  21          HA2       GLY  21  -7.017   6.183   0.474
  142   2HA   GLY  21          HA1       GLY  21  -7.787   5.566  -0.977
  143    H    LEU  22           HN       LEU  22  -4.746   4.473  -1.215
  144    HA   LEU  22           HA       LEU  22  -5.332   1.963   0.278
  145   1HB   LEU  22          HB2       LEU  22  -3.701   2.379  -2.233
  146   2HB   LEU  22          HB1       LEU  22  -3.980   0.841  -1.431
  147    HG   LEU  22           HG       LEU  22  -6.112   2.552  -2.721
  148   1HD1  LEU  22          HD11      LEU  22  -5.029  -0.039  -3.716
  149   2HD1  LEU  22          HD12      LEU  22  -4.404   1.503  -4.287
  150   3HD1  LEU  22          HD13      LEU  22  -6.091   1.080  -4.529
  151   1HD2  LEU  22          HD21      LEU  22  -7.105   1.249  -0.987
  152   2HD2  LEU  22          HD22      LEU  22  -6.175  -0.193  -1.434
  153   3HD2  LEU  22          HD23      LEU  22  -7.426   0.429  -2.505
  154    H    GLN  23           HN       GLN  23  -3.912   1.168   1.577
  155    HA   GLN  23           HA       GLN  23  -1.465   2.787   2.088
  156   1HB   GLN  23          HB2       GLN  23  -3.077   3.080   3.874
  157   2HB   GLN  23          HB1       GLN  23  -3.297   1.347   4.035
  158   1HG   GLN  23          HG2       GLN  23  -1.924   2.155   5.806
  159   2HG   GLN  23          HG1       GLN  23  -0.939   1.113   4.802
  160   1HE2  GLN  23          HE21      GLN  23   1.036   1.994   5.309
  161   2HE2  GLN  23          HE22      GLN  23   1.456   3.621   4.926
  162    H    CYS  24           HN       CYS  24   0.274   1.825   1.661
  163    HA   CYS  24           HA       CYS  24   0.480  -0.977   1.199
  164   1HB   CYS  24          HB2       CYS  24   1.846   0.538  -0.072
  165   2HB   CYS  24          HB1       CYS  24   2.608   1.123   1.377
  166    H    ARG  25           HN       ARG  25   0.837  -2.511   2.503
  167    HA   ARG  25           HA       ARG  25   1.999  -1.984   5.155
  168   1HB   ARG  25          HB2       ARG  25  -0.114  -2.912   5.451
  169   2HB   ARG  25          HB1       ARG  25   0.114  -4.087   4.161
  170   1HG   ARG  25          HG2       ARG  25   1.776  -5.291   5.540
  171   2HG   ARG  25          HG1       ARG  25   1.584  -4.078   6.817
  172   1HD   ARG  25          HD2       ARG  25  -0.672  -5.791   5.754
  173   2HD   ARG  25          HD1       ARG  25   0.390  -6.252   7.091
  174    HE   ARG  25           HE       ARG  25  -0.583  -3.714   7.715
  175   1HH1  ARG  25          HH11      ARG  25  -1.909  -6.930   7.189
  176   2HH1  ARG  25          HH12      ARG  25  -3.194  -6.686   8.306
  177   1HH2  ARG  25          HH21      ARG  25  -2.266  -3.422   9.179
  178   2HH2  ARG  25          HH22      ARG  25  -3.412  -4.694   9.446
  179    H    TYR  26           HN       TYR  26   3.569  -3.342   5.939
  180    HA   TYR  26           HA       TYR  26   5.651  -4.052   4.268
  181   1HB   TYR  26          HB2       TYR  26   6.070  -3.834   6.580
  182   2HB   TYR  26          HB1       TYR  26   4.880  -5.053   7.017
  183    HD1  TYR  26           HD1      TYR  26   8.054  -4.680   5.036
  184    HD2  TYR  26           HD2      TYR  26   5.694  -7.191   7.576
  185    HE1  TYR  26           HE1      TYR  26   9.845  -6.351   5.066
  186    HE2  TYR  26           HE2      TYR  26   7.460  -8.876   7.536
  187    HH   TYR  26           HH       TYR  26  10.462  -8.317   6.938
  188    H    GLY  27           HN       GLY  27   5.219  -5.139   2.539
  189   1HA   GLY  27          HA2       GLY  27   5.375  -7.515   1.824
  190   2HA   GLY  27          HA1       GLY  27   3.911  -7.818   2.749
  191    H    LYS  28           HN       LYS  28   2.298  -5.779   2.208
  192    HA   LYS  28           HA       LYS  28   2.177  -5.166  -0.598
  193   1HB   LYS  28          HB2       LYS  28   0.116  -6.393  -1.108
  194   2HB   LYS  28          HB1       LYS  28   1.451  -7.476  -0.725
  195   1HG   LYS  28          HG2       LYS  28   0.582  -7.825   1.529
  196   2HG   LYS  28          HG1       LYS  28  -0.771  -6.717   1.199
  197   1HD   LYS  28          HD2       LYS  28  -1.614  -8.170  -0.540
  198   2HD   LYS  28          HD1       LYS  28  -0.220  -9.253  -0.374
  199   1HE   LYS  28          HE2       LYS  28  -0.922  -9.731   1.955
  200   2HE   LYS  28          HE1       LYS  28  -2.356  -8.720   1.697
  201   1HZ   LYS  28          HZ1       LYS  28  -2.827 -11.039   1.387
  202   2HZ   LYS  28          HZ2       LYS  28  -1.666 -11.186   0.172
  203   3HZ   LYS  28          HZ3       LYS  28  -3.047 -10.219  -0.073
  204    H    CYS  29           HN       CYS  29   0.398  -4.022  -1.216
  205    HA   CYS  29           HA       CYS  29  -0.404  -2.096   0.747
  206   1HB   CYS  29          HB2       CYS  29   0.341  -1.565  -1.595
  207   2HB   CYS  29          HB1       CYS  29  -1.126  -2.255  -2.172
  208    H    LEU  30           HN       LEU  30  -2.398  -1.616   1.379
  209    HA   LEU  30           HA       LEU  30  -4.580  -3.497   0.695
  210   1HB   LEU  30          HB2       LEU  30  -3.704  -2.662   3.483
  211   2HB   LEU  30          HB1       LEU  30  -5.192  -3.540   3.123
  212    HG   LEU  30           HG       LEU  30  -2.380  -4.587   2.661
  213   1HD1  LEU  30          HD11      LEU  30  -2.948  -4.398   5.042
  214   2HD1  LEU  30          HD12      LEU  30  -2.850  -6.069   4.502
  215   3HD1  LEU  30          HD13      LEU  30  -4.430  -5.331   4.758
  216   1HD2  LEU  30          HD21      LEU  30  -3.564  -6.728   2.280
  217   2HD2  LEU  30          HD22      LEU  30  -3.904  -5.557   1.028
  218   3HD2  LEU  30          HD23      LEU  30  -5.102  -5.877   2.287
  219    H    VAL  31           HN       VAL  31  -6.616  -2.802   1.546
  220    HA   VAL  31           HA       VAL  31  -7.164  -0.119   0.639
  221    HB   VAL  31           HB       VAL  31  -9.527  -0.655   1.108
  222   1HG1  VAL  31          HG11      VAL  31  -8.145  -2.959  -0.259
  223   2HG1  VAL  31          HG12      VAL  31  -8.481  -1.392  -1.017
  224   3HG1  VAL  31          HG13      VAL  31  -9.806  -2.417  -0.474
  225   1HG2  VAL  31          HG21      VAL  31  -8.359  -3.131   2.420
  226   2HG2  VAL  31          HG22      VAL  31 -10.014  -3.036   1.841
  227   3HG2  VAL  31          HG23      VAL  31  -9.473  -1.939   3.082
  228    H    GLN  32           HN       GLN  32  -8.236   1.439   1.745
  229    HA   GLN  32           HA       GLN  32  -7.198   1.976   4.386
  230   1HB   GLN  32          HB2       GLN  32  -8.493   4.069   4.245
  231   2HB   GLN  32          HB1       GLN  32  -7.487   3.780   2.836
  232   1HG   GLN  32          HG2       GLN  32  -9.407   3.061   1.531
  233   2HG   GLN  32          HG1       GLN  32 -10.471   3.214   2.922
  234   1HE2  GLN  32          HE21      GLN  32 -10.583   4.490   0.302
  235   2HE2  GLN  32          HE22      GLN  32 -10.580   6.182   0.649
  236    H    VAL  33           HN       VAL  33  -8.253  -0.180   4.984
  237    HA   VAL  33           HA       VAL  33 -11.067  -0.013   5.759
  238    HB   VAL  33           HB       VAL  33 -10.221  -2.151   4.918
  239   1HG1  VAL  33          HG11      VAL  33  -8.604  -3.463   5.998
  240   2HG1  VAL  33          HG12      VAL  33  -8.476  -2.387   7.371
  241   3HG1  VAL  33          HG13      VAL  33  -7.858  -1.892   5.794
  242   1HG2  VAL  33          HG21      VAL  33 -10.839  -2.501   7.848
  243   2HG2  VAL  33          HG22      VAL  33 -11.232  -3.543   6.495
  244   3HG2  VAL  33          HG23      VAL  33 -12.058  -2.002   6.666
  245   1HG   HSL  34          HG1       HSL  34  -9.180   5.500   9.205
  246   2HG   HSL  34          HG2       HSL  34  -8.386   4.492  10.432
  247    H    HSL  34           HN       HSL  34 -10.184   2.005   6.830
  248    HA   HSL  34           HA       HSL  34  -9.179   1.547   9.264
  249   1HB   HSL  34          HB1       HSL  34  -7.724   3.200   8.723
  250   2HB   HSL  34          HB2       HSL  34  -8.855   3.970   7.604
  Start of MODEL   11
    1   1H    ALA   1           HT1      ALA   1   1.789   4.740 -11.694
    2   2H    ALA   1           HT2      ALA   1   3.180   3.943 -12.215
    3   3H    ALA   1           HT3      ALA   1   3.167   4.684 -10.694
    4    HA   ALA   1           HA       ALA   1   1.563   2.337 -11.568
    5   1HB   ALA   1          HB1       ALA   1   3.872   2.494  -9.615
    6   2HB   ALA   1          HB2       ALA   1   3.912   1.831 -11.244
    7   3HB   ALA   1          HB3       ALA   1   2.937   1.039 -10.012
    8    H    CYS   2           HN       CYS   2  -0.310   2.384 -10.724
    9    HA   CYS   2           HA       CYS   2  -0.825   3.759  -8.167
   10   1HB   CYS   2          HB2       CYS   2  -2.254   3.802 -10.389
   11   2HB   CYS   2          HB1       CYS   2  -2.961   2.326  -9.753
   12    H    GLY   3           HN       GLY   3  -0.394   2.653  -6.477
   13   1HA   GLY   3          HA2       GLY   3  -0.093  -0.124  -6.288
   14   2HA   GLY   3          HA1       GLY   3  -0.246   0.933  -4.945
   15    H    ILE   4           HN       ILE   4  -1.483  -1.643  -6.216
   16    HA   ILE   4           HA       ILE   4  -4.355  -1.066  -5.723
   17    HB   ILE   4           HB       ILE   4  -4.738  -3.268  -6.894
   18   1HG1  ILE   4          HG12      ILE   4  -1.782  -2.994  -7.556
   19   2HG1  ILE   4          HG11      ILE   4  -2.488  -4.269  -6.552
   20   1HG2  ILE   4          HG21      ILE   4  -3.288  -1.189  -8.561
   21   2HG2  ILE   4          HG22      ILE   4  -4.963  -1.072  -8.007
   22   3HG2  ILE   4          HG23      ILE   4  -4.497  -2.362  -9.100
   23   1HD1  ILE   4          HD11      ILE   4  -3.823  -4.902  -8.615
   24   2HD1  ILE   4          HD12      ILE   4  -2.089  -5.202  -8.625
   25   3HD1  ILE   4          HD13      ILE   4  -2.742  -3.817  -9.494
   26    H    LEU   5           HN       LEU   5  -5.540  -2.805  -4.866
   27    HA   LEU   5           HA       LEU   5  -4.786  -3.168  -2.177
   28   1HB   LEU   5          HB2       LEU   5  -6.933  -4.370  -1.949
   29   2HB   LEU   5          HB1       LEU   5  -7.027  -2.805  -2.712
   30    HG   LEU   5           HG       LEU   5  -6.779  -4.991  -4.670
   31   1HD1  LEU   5          HD11      LEU   5  -9.282  -4.777  -3.002
   32   2HD1  LEU   5          HD12      LEU   5  -8.143  -6.136  -2.976
   33   3HD1  LEU   5          HD13      LEU   5  -9.036  -5.761  -4.444
   34   1HD2  LEU   5          HD21      LEU   5  -8.729  -2.713  -4.368
   35   2HD2  LEU   5          HD22      LEU   5  -8.501  -3.745  -5.775
   36   3HD2  LEU   5          HD23      LEU   5  -7.226  -2.647  -5.293
   37    H    HIS   6           HN       HIS   6  -3.588  -4.847  -4.641
   38    HA   HIS   6           HA       HIS   6  -2.712  -6.963  -2.861
   39   1HB   HIS   6          HB2       HIS   6  -3.156  -8.703  -4.657
   40   2HB   HIS   6          HB1       HIS   6  -4.572  -8.077  -3.835
   41    HD1  HIS   6           HD1      HIS   6  -2.921  -8.147  -7.197
   42    HD2  HIS   6           HD2      HIS   6  -6.382  -6.715  -5.420
   43    HE1  HIS   6           HE1      HIS   6  -4.426  -7.463  -9.088
   44    HE2  HIS   6           HE2      HIS   6  -6.530  -6.634  -7.986
   45    H    ASP   7           HN       ASP   7  -1.464  -4.710  -3.658
   46    HA   ASP   7           HA       ASP   7   0.583  -5.788  -5.546
   47   1HB   ASP   7          HB2       ASP   7  -0.492  -3.674  -6.218
   48   2HB   ASP   7          HB1       ASP   7   0.087  -2.869  -4.795
   49    H    ASN   8           HN       ASN   8   2.382  -6.321  -4.770
   50    HA   ASN   8           HA       ASN   8   2.909  -6.100  -1.949
   51   1HB   ASN   8          HB2       ASN   8   4.976  -7.397  -2.441
   52   2HB   ASN   8          HB1       ASN   8   3.500  -8.135  -3.042
   53   1HD2  ASN   8          HD21      ASN   8   6.561  -6.769  -3.918
   54   2HD2  ASN   8          HD22      ASN   8   6.421  -7.111  -5.605
   55    H    CYS   9           HN       CYS   9   3.872  -4.585  -0.964
   56    HA   CYS   9           HA       CYS   9   5.959  -2.939  -2.234
   57   1HB   CYS   9          HB2       CYS   9   4.809  -0.846  -1.737
   58   2HB   CYS   9          HB1       CYS   9   3.815  -1.836  -2.794
   59    H    VAL  10           HN       VAL  10   6.770  -1.332  -0.698
   60    HA   VAL  10           HA       VAL  10   6.905  -2.526   2.031
   61    HB   VAL  10           HB       VAL  10   9.020  -1.297   2.301
   62   1HG1  VAL  10          HG11      VAL  10   9.047  -3.613   1.508
   63   2HG1  VAL  10          HG12      VAL  10  10.372  -2.662   0.847
   64   3HG1  VAL  10          HG13      VAL  10   8.983  -3.041  -0.169
   65   1HG2  VAL  10          HG21      VAL  10   8.637   0.592   0.760
   66   2HG2  VAL  10          HG22      VAL  10   8.672  -0.520  -0.612
   67   3HG2  VAL  10          HG23      VAL  10  10.105  -0.280   0.370
   68    H    TYR  11           HN       TYR  11   6.756  -1.306   3.729
   69    HA   TYR  11           HA       TYR  11   4.791   0.769   3.669
   70   1HB   TYR  11          HB2       TYR  11   5.040   0.748   6.159
   71   2HB   TYR  11          HB1       TYR  11   4.735  -0.828   5.450
   72    HD1  TYR  11           HD1      TYR  11   6.763   0.902   7.755
   73    HD2  TYR  11           HD2      TYR  11   6.899  -2.294   4.906
   74    HE1  TYR  11           HE1      TYR  11   8.731  -0.033   8.867
   75    HE2  TYR  11           HE2      TYR  11   8.868  -3.195   6.009
   76    HH   TYR  11           HH       TYR  11  10.816  -2.015   7.593
   77    H    VAL  12           HN       VAL  12   6.107   2.076   2.243
   78    HA   VAL  12           HA       VAL  12   7.641   4.060   3.829
   79    HB   VAL  12           HB       VAL  12   8.336   3.198   1.005
   80   1HG1  VAL  12          HG11      VAL  12   9.333   5.415   2.808
   81   2HG1  VAL  12          HG12      VAL  12   8.827   5.486   1.117
   82   3HG1  VAL  12          HG13      VAL  12  10.335   4.717   1.540
   83   1HG2  VAL  12          HG21      VAL  12   9.859   2.805   3.597
   84   2HG2  VAL  12          HG22      VAL  12  10.430   2.428   1.973
   85   3HG2  VAL  12          HG23      VAL  12   9.075   1.536   2.644
   86    HA   PRO  13           HA       PRO  13   3.961   6.118   2.091
   87   1HB   PRO  13          HB2       PRO  13   4.766   8.046   4.217
   88   2HB   PRO  13          HB1       PRO  13   3.209   7.280   3.882
   89   1HG   PRO  13          HG2       PRO  13   4.726   6.558   5.954
   90   2HG   PRO  13          HG1       PRO  13   3.742   5.375   5.070
   91   1HD   PRO  13          HD2       PRO  13   6.695   5.895   4.929
   92   2HD   PRO  13          HD1       PRO  13   5.775   4.372   4.912
   93    H    ALA  14           HN       ALA  14   7.166   7.293   2.892
   94    HA   ALA  14           HA       ALA  14   7.278   9.793   1.840
   95   1HB   ALA  14          HB1       ALA  14   9.671   9.423   1.468
   96   2HB   ALA  14          HB2       ALA  14   9.429   7.668   1.575
   97   3HB   ALA  14          HB3       ALA  14   9.132   8.691   2.975
   98    H    GLN  15           HN       GLN  15   7.584   6.738   0.129
   99    HA   GLN  15           HA       GLN  15   6.631   8.130  -2.316
  100   1HB   GLN  15          HB2       GLN  15   9.058   7.489  -2.482
  101   2HB   GLN  15          HB1       GLN  15   8.598   5.794  -2.274
  102   1HG   GLN  15          HG2       GLN  15   7.071   6.149  -4.345
  103   2HG   GLN  15          HG1       GLN  15   7.911   7.687  -4.535
  104   1HE2  GLN  15          HE21      GLN  15   8.165   4.210  -4.721
  105   2HE2  GLN  15          HE22      GLN  15   9.660   4.212  -5.585
  106    H    ASN  16           HN       ASN  16   4.750   7.510  -1.002
  107    HA   ASN  16           HA       ASN  16   3.839   4.854  -0.850
  108   1HB   ASN  16          HB2       ASN  16   2.757   6.684   0.332
  109   2HB   ASN  16          HB1       ASN  16   2.222   7.410  -1.176
  110   1HD2  ASN  16          HD21      ASN  16   1.675   4.918   1.181
  111   2HD2  ASN  16          HD22      ASN  16   0.192   4.352   0.499
  112    HA   PRO  17           HA       PRO  17   3.523   4.390  -5.327
  113   1HB   PRO  17          HB2       PRO  17   3.591   1.719  -5.355
  114   2HB   PRO  17          HB1       PRO  17   5.003   2.663  -4.873
  115   1HG   PRO  17          HG2       PRO  17   2.989   1.298  -3.106
  116   2HG   PRO  17          HG1       PRO  17   4.761   1.267  -3.033
  117   1HD   PRO  17          HD2       PRO  17   3.206   2.903  -1.506
  118   2HD   PRO  17          HD1       PRO  17   4.887   3.252  -1.953
  119    H    CYS  18           HN       CYS  18   1.393   3.675  -2.843
  120    HA   CYS  18           HA       CYS  18  -0.568   2.215  -4.277
  121   1HB   CYS  18          HB2       CYS  18  -0.558   3.493  -1.570
  122   2HB   CYS  18          HB1       CYS  18  -1.883   2.531  -2.192
  123    H    CYS  19           HN       CYS  19  -2.569   2.829  -4.817
  124    HA   CYS  19           HA       CYS  19  -3.079   5.541  -5.585
  125   1HB   CYS  19          HB2       CYS  19  -5.211   3.476  -4.932
  126   2HB   CYS  19          HB1       CYS  19  -5.303   4.847  -6.042
  127    H    ARG  20           HN       ARG  20  -3.111   7.060  -4.181
  128    HA   ARG  20           HA       ARG  20  -3.071   6.753  -1.440
  129   1HB   ARG  20          HB2       ARG  20  -3.526   9.167  -1.234
  130   2HB   ARG  20          HB1       ARG  20  -2.280   8.743  -2.407
  131   1HG   ARG  20          HG2       ARG  20  -3.907   9.081  -4.248
  132   2HG   ARG  20          HG1       ARG  20  -5.115   9.584  -3.053
  133   1HD   ARG  20          HD2       ARG  20  -3.543  11.344  -2.293
  134   2HD   ARG  20          HD1       ARG  20  -2.464  10.908  -3.637
  135    HE   ARG  20           HE       ARG  20  -4.776  11.402  -4.933
  136   1HH1  ARG  20          HH11      ARG  20  -2.963  13.220  -2.518
  137   2HH1  ARG  20          HH12      ARG  20  -3.530  14.732  -3.093
  138   1HH2  ARG  20          HH21      ARG  20  -5.488  13.427  -5.666
  139   2HH2  ARG  20          HH22      ARG  20  -4.952  14.871  -4.875
  140    H    GLY  21           HN       GLY  21  -4.389   6.355   0.030
  141   1HA   GLY  21          HA2       GLY  21  -6.756   6.404   0.821
  142   2HA   GLY  21          HA1       GLY  21  -7.210   5.790  -0.771
  143    H    LEU  22           HN       LEU  22  -4.717   4.244  -0.961
  144    HA   LEU  22           HA       LEU  22  -5.308   2.016   0.910
  145   1HB   LEU  22          HB2       LEU  22  -3.841   2.119  -1.740
  146   2HB   LEU  22          HB1       LEU  22  -3.837   0.707  -0.687
  147    HG   LEU  22           HG       LEU  22  -6.348   0.642  -0.981
  148   1HD1  LEU  22          HD11      LEU  22  -7.236   1.774  -2.975
  149   2HD1  LEU  22          HD12      LEU  22  -5.793   2.764  -3.010
  150   3HD1  LEU  22          HD13      LEU  22  -6.896   2.844  -1.643
  151   1HD2  LEU  22          HD21      LEU  22  -6.251  -0.413  -3.110
  152   2HD2  LEU  22          HD22      LEU  22  -4.805  -0.832  -2.200
  153   3HD2  LEU  22          HD23      LEU  22  -4.729   0.384  -3.486
  154    H    GLN  23           HN       GLN  23  -3.655   0.981   1.942
  155    HA   GLN  23           HA       GLN  23  -1.234   2.657   2.377
  156   1HB   GLN  23          HB2       GLN  23  -3.039   1.228   4.331
  157   2HB   GLN  23          HB1       GLN  23  -1.377   1.614   4.780
  158   1HG   GLN  23          HG2       GLN  23  -3.458   3.639   3.892
  159   2HG   GLN  23          HG1       GLN  23  -3.070   3.234   5.562
  160   1HE2  GLN  23          HE21      GLN  23  -1.088   3.888   6.450
  161   2HE2  GLN  23          HE22      GLN  23  -0.125   5.090   5.668
  162    H    CYS  24           HN       CYS  24   0.607   1.824   2.308
  163    HA   CYS  24           HA       CYS  24   0.975  -0.951   1.550
  164   1HB   CYS  24          HB2       CYS  24   2.747   1.421   1.921
  165   2HB   CYS  24          HB1       CYS  24   3.495  -0.172   1.980
  166    H    ARG  25           HN       ARG  25   0.264  -2.186   3.109
  167    HA   ARG  25           HA       ARG  25   1.484  -2.053   5.790
  168   1HB   ARG  25          HB2       ARG  25  -0.358  -4.095   4.477
  169   2HB   ARG  25          HB1       ARG  25   0.193  -4.147   6.167
  170   1HG   ARG  25          HG2       ARG  25  -0.967  -2.021   6.606
  171   2HG   ARG  25          HG1       ARG  25  -1.518  -1.971   4.922
  172   1HD   ARG  25          HD2       ARG  25  -2.683  -4.069   5.264
  173   2HD   ARG  25          HD1       ARG  25  -2.187  -4.120   6.951
  174    HE   ARG  25           HE       ARG  25  -3.440  -1.797   6.946
  175   1HH1  ARG  25          HH11      ARG  25  -4.426  -4.811   5.445
  176   2HH1  ARG  25          HH12      ARG  25  -6.086  -4.453   5.534
  177   1HH2  ARG  25          HH21      ARG  25  -5.658  -1.364   7.106
  178   2HH2  ARG  25          HH22      ARG  25  -6.810  -2.512   6.507
  179    H    TYR  26           HN       TYR  26   2.654  -3.803   6.606
  180    HA   TYR  26           HA       TYR  26   4.991  -4.290   5.214
  181   1HB   TYR  26          HB2       TYR  26   4.771  -4.566   7.621
  182   2HB   TYR  26          HB1       TYR  26   3.774  -6.001   7.415
  183    HD1  TYR  26           HD1      TYR  26   7.176  -4.606   6.764
  184    HD2  TYR  26           HD2      TYR  26   4.801  -8.136   7.159
  185    HE1  TYR  26           HE1      TYR  26   9.204  -5.973   6.733
  186    HE2  TYR  26           HE2      TYR  26   6.832  -9.497   7.132
  187    HH   TYR  26           HH       TYR  26   9.750  -8.492   7.754
  188    H    GLY  27           HN       GLY  27   4.744  -4.914   3.196
  189   1HA   GLY  27          HA2       GLY  27   5.178  -6.906   1.920
  190   2HA   GLY  27          HA1       GLY  27   3.873  -7.735   2.744
  191    H    LYS  28           HN       LYS  28   1.929  -5.653   2.626
  192    HA   LYS  28           HA       LYS  28   1.354  -5.726  -0.297
  193   1HB   LYS  28          HB2       LYS  28  -0.373  -6.694   1.998
  194   2HB   LYS  28          HB1       LYS  28  -0.999  -6.409   0.362
  195   1HG   LYS  28          HG2       LYS  28   0.378  -8.129  -0.551
  196   2HG   LYS  28          HG1       LYS  28   1.232  -8.358   0.991
  197   1HD   LYS  28          HD2       LYS  28  -0.770  -9.174   2.060
  198   2HD   LYS  28          HD1       LYS  28  -1.749  -8.809   0.628
  199   1HE   LYS  28          HE2       LYS  28   0.558 -10.771   0.611
  200   2HE   LYS  28          HE1       LYS  28  -1.116 -11.200   0.944
  201   1HZ   LYS  28          HZ1       LYS  28  -1.722 -10.249  -1.257
  202   2HZ   LYS  28          HZ2       LYS  28  -0.695 -11.586  -1.326
  203   3HZ   LYS  28          HZ3       LYS  28  -0.063 -10.045  -1.586
  204    H    CYS  29           HN       CYS  29   0.430  -4.129  -1.122
  205    HA   CYS  29           HA       CYS  29  -0.377  -1.786   0.379
  206   1HB   CYS  29          HB2       CYS  29   0.631  -1.556  -1.843
  207   2HB   CYS  29          HB1       CYS  29  -0.647  -2.477  -2.561
  208    H    LEU  30           HN       LEU  30  -2.085  -2.003   1.559
  209    HA   LEU  30           HA       LEU  30  -4.484  -3.352   0.395
  210   1HB   LEU  30          HB2       LEU  30  -3.555  -3.274   3.288
  211   2HB   LEU  30          HB1       LEU  30  -5.050  -4.014   2.706
  212    HG   LEU  30           HG       LEU  30  -2.244  -4.922   2.016
  213   1HD1  LEU  30          HD11      LEU  30  -2.654  -5.518   4.254
  214   2HD1  LEU  30          HD12      LEU  30  -2.955  -6.939   3.306
  215   3HD1  LEU  30          HD13      LEU  30  -4.313  -6.012   3.922
  216   1HD2  LEU  30          HD21      LEU  30  -3.452  -6.891   1.075
  217   2HD2  LEU  30          HD22      LEU  30  -3.663  -5.419   0.148
  218   3HD2  LEU  30          HD23      LEU  30  -4.961  -5.993   1.210
  219    H    VAL  31           HN       VAL  31  -6.359  -2.499   0.659
  220    HA   VAL  31           HA       VAL  31  -6.580   0.310   0.712
  221    HB   VAL  31           HB       VAL  31  -8.827  -1.657   1.209
  222   1HG1  VAL  31          HG11      VAL  31  -8.774   1.203   0.205
  223   2HG1  VAL  31          HG12      VAL  31  -9.575   0.574   1.654
  224   3HG1  VAL  31          HG13      VAL  31 -10.161   0.129   0.065
  225   1HG2  VAL  31          HG21      VAL  31  -8.565  -2.436  -0.820
  226   2HG2  VAL  31          HG22      VAL  31  -7.198  -1.383  -1.143
  227   3HG2  VAL  31          HG23      VAL  31  -8.833  -0.834  -1.486
  228    H    GLN  32           HN       GLN  32  -6.798   1.724   2.201
  229    HA   GLN  32           HA       GLN  32  -6.595   0.924   4.976
  230   1HB   GLN  32          HB2       GLN  32  -5.459   2.921   4.008
  231   2HB   GLN  32          HB1       GLN  32  -7.016   3.710   3.804
  232   1HG   GLN  32          HG2       GLN  32  -7.349   3.433   6.319
  233   2HG   GLN  32          HG1       GLN  32  -5.675   2.877   6.388
  234   1HE2  GLN  32          HE21      GLN  32  -6.970   5.162   7.645
  235   2HE2  GLN  32          HE22      GLN  32  -6.078   6.534   7.093
  236    H    VAL  33           HN       VAL  33  -8.476  -0.293   4.965
  237    HA   VAL  33           HA       VAL  33 -11.053   1.145   5.027
  238    HB   VAL  33           HB       VAL  33 -12.042  -1.101   5.462
  239   1HG1  VAL  33          HG11      VAL  33 -11.751  -1.968   3.243
  240   2HG1  VAL  33          HG12      VAL  33 -10.298  -1.004   2.996
  241   3HG1  VAL  33          HG13      VAL  33 -11.874  -0.213   3.178
  242   1HG2  VAL  33          HG21      VAL  33  -9.216  -2.128   5.028
  243   2HG2  VAL  33          HG22      VAL  33 -10.678  -3.091   5.136
  244   3HG2  VAL  33          HG23      VAL  33 -10.122  -2.215   6.545
  245   1HG   HSL  34          HG1       HSL  34 -12.286   4.287  10.093
  246   2HG   HSL  34          HG2       HSL  34 -11.396   3.308  11.278
  247    H    HSL  34           HN       HSL  34 -12.128   1.548   6.771
  248    HA   HSL  34           HA       HSL  34 -11.040   0.580   9.519
  249   1HB   HSL  34          HB1       HSL  34 -10.123   2.653   9.553
  250   2HB   HSL  34          HB2       HSL  34 -11.268   3.290   8.367
  Start of MODEL   12
    1   1H    ALA   1           HT1      ALA   1   4.051   2.057 -12.843
    2   2H    ALA   1           HT2      ALA   1   4.616   1.967 -11.252
    3   3H    ALA   1           HT3      ALA   1   3.615   3.257 -11.738
    4    HA   ALA   1           HA       ALA   1   1.803   1.732 -12.175
    5   1HB   ALA   1          HB1       ALA   1   3.652  -0.392 -11.052
    6   2HB   ALA   1          HB2       ALA   1   3.145  -0.215 -12.728
    7   3HB   ALA   1          HB3       ALA   1   1.951  -0.622 -11.501
    8    H    CYS   2           HN       CYS   2   0.319   2.021 -10.757
    9    HA   CYS   2           HA       CYS   2   1.054   3.048  -8.131
   10   1HB   CYS   2          HB2       CYS   2  -0.659   4.108  -9.574
   11   2HB   CYS   2          HB1       CYS   2  -1.696   2.702  -9.398
   12    H    GLY   3           HN       GLY   3   0.731   2.115  -6.257
   13   1HA   GLY   3          HA2       GLY   3   0.460  -0.688  -6.035
   14   2HA   GLY   3          HA1       GLY   3   0.450   0.449  -4.723
   15    H    ILE   4           HN       ILE   4  -1.360  -1.655  -6.489
   16    HA   ILE   4           HA       ILE   4  -3.962  -0.440  -5.907
   17    HB   ILE   4           HB       ILE   4  -4.867  -2.488  -7.128
   18   1HG1  ILE   4          HG12      ILE   4  -1.937  -2.874  -7.831
   19   2HG1  ILE   4          HG11      ILE   4  -2.878  -3.967  -6.807
   20   1HG2  ILE   4          HG21      ILE   4  -2.983  -0.717  -8.691
   21   2HG2  ILE   4          HG22      ILE   4  -4.599  -0.264  -8.130
   22   3HG2  ILE   4          HG23      ILE   4  -4.416  -1.575  -9.279
   23   1HD1  ILE   4          HD11      ILE   4  -3.272  -3.394  -9.733
   24   2HD1  ILE   4          HD12      ILE   4  -4.376  -4.369  -8.749
   25   3HD1  ILE   4          HD13      ILE   4  -2.704  -4.874  -8.969
   26    H    LEU   5           HN       LEU   5  -5.603  -2.328  -5.442
   27    HA   LEU   5           HA       LEU   5  -5.914  -2.231  -2.850
   28   1HB   LEU   5          HB2       LEU   5  -7.545  -3.958  -2.937
   29   2HB   LEU   5          HB1       LEU   5  -7.569  -3.062  -4.439
   30    HG   LEU   5           HG       LEU   5  -6.200  -5.743  -4.165
   31   1HD1  LEU   5          HD11      LEU   5  -8.112  -6.710  -5.227
   32   2HD1  LEU   5          HD12      LEU   5  -8.955  -5.162  -5.220
   33   3HD1  LEU   5          HD13      LEU   5  -8.579  -5.982  -3.693
   34   1HD2  LEU   5          HD21      LEU   5  -6.993  -4.085  -6.566
   35   2HD2  LEU   5          HD22      LEU   5  -6.409  -5.746  -6.621
   36   3HD2  LEU   5          HD23      LEU   5  -5.347  -4.477  -6.047
   37    H    HIS   6           HN       HIS   6  -4.031  -4.854  -4.344
   38    HA   HIS   6           HA       HIS   6  -2.998  -5.496  -1.646
   39   1HB   HIS   6          HB2       HIS   6  -3.367  -7.850  -1.884
   40   2HB   HIS   6          HB1       HIS   6  -4.895  -7.041  -2.174
   41    HD1  HIS   6           HD1      HIS   6  -2.096  -8.734  -4.104
   42    HD2  HIS   6           HD2      HIS   6  -6.100  -7.733  -4.526
   43    HE1  HIS   6           HE1      HIS   6  -2.806  -9.694  -6.300
   44    HE2  HIS   6           HE2      HIS   6  -5.198  -8.962  -6.601
   45    H    ASP   7           HN       ASP   7  -1.898  -4.053  -3.848
   46    HA   ASP   7           HA       ASP   7  -0.113  -5.817  -5.254
   47   1HB   ASP   7          HB2       ASP   7  -0.862  -3.643  -6.150
   48   2HB   ASP   7          HB1       ASP   7   0.090  -2.778  -4.977
   49    H    ASN   8           HN       ASN   8   1.887  -6.332  -4.814
   50    HA   ASN   8           HA       ASN   8   2.625  -6.267  -2.040
   51   1HB   ASN   8          HB2       ASN   8   4.016  -7.523  -4.388
   52   2HB   ASN   8          HB1       ASN   8   4.463  -7.767  -2.693
   53   1HD2  ASN   8          HD21      ASN   8   3.669  -9.753  -4.656
   54   2HD2  ASN   8          HD22      ASN   8   2.259 -10.504  -4.000
   55    H    CYS   9           HN       CYS   9   3.911  -4.974  -1.070
   56    HA   CYS   9           HA       CYS   9   6.073  -3.562  -2.274
   57   1HB   CYS   9          HB2       CYS   9   5.070  -1.270  -1.852
   58   2HB   CYS   9          HB1       CYS   9   4.330  -2.172  -3.161
   59    H    VAL  10           HN       VAL  10   6.804  -1.770  -0.735
   60    HA   VAL  10           HA       VAL  10   6.808  -2.890   2.020
   61    HB   VAL  10           HB       VAL  10   8.796  -1.013   0.682
   62   1HG1  VAL  10          HG11      VAL  10  10.183  -1.715   2.688
   63   2HG1  VAL  10          HG12      VAL  10   8.695  -2.298   3.425
   64   3HG1  VAL  10          HG13      VAL  10   8.881  -0.586   3.013
   65   1HG2  VAL  10          HG21      VAL  10   9.045  -3.967   1.313
   66   2HG2  VAL  10          HG22      VAL  10  10.293  -2.913   0.651
   67   3HG2  VAL  10          HG23      VAL  10   8.857  -3.262  -0.302
   68    H    TYR  11           HN       TYR  11   6.461  -1.679   3.726
   69    HA   TYR  11           HA       TYR  11   4.560   0.456   3.444
   70   1HB   TYR  11          HB2       TYR  11   4.744  -1.299   5.310
   71   2HB   TYR  11          HB1       TYR  11   6.002  -0.310   5.985
   72    HD1  TYR  11           HD1      TYR  11   5.107   2.395   5.859
   73    HD2  TYR  11           HD2      TYR  11   2.803  -1.078   6.636
   74    HE1  TYR  11           HE1      TYR  11   3.469   3.765   6.991
   75    HE2  TYR  11           HE2      TYR  11   1.118   0.281   7.720
   76    HH   TYR  11           HH       TYR  11   1.324   2.726   9.040
   77    H    VAL  12           HN       VAL  12   5.782   1.868   2.171
   78    HA   VAL  12           HA       VAL  12   7.479   3.669   3.822
   79    HB   VAL  12           HB       VAL  12   8.835   2.754   2.071
   80   1HG1  VAL  12          HG11      VAL  12   6.989   3.922  -0.011
   81   2HG1  VAL  12          HG12      VAL  12   6.926   2.233   0.476
   82   3HG1  VAL  12          HG13      VAL  12   8.387   2.890  -0.219
   83   1HG2  VAL  12          HG21      VAL  12   8.141   5.574   1.250
   84   2HG2  VAL  12          HG22      VAL  12   9.687   4.747   1.190
   85   3HG2  VAL  12          HG23      VAL  12   9.007   5.196   2.747
   86    HA   PRO  13           HA       PRO  13   3.429   5.615   3.219
   87   1HB   PRO  13          HB2       PRO  13   3.682   7.315   5.357
   88   2HB   PRO  13          HB1       PRO  13   3.181   5.628   5.463
   89   1HG   PRO  13          HG2       PRO  13   5.882   6.812   5.974
   90   2HG   PRO  13          HG1       PRO  13   4.989   5.584   6.886
   91   1HD   PRO  13          HD2       PRO  13   6.970   4.984   5.201
   92   2HD   PRO  13          HD1       PRO  13   5.609   3.903   5.465
   93    H    ALA  14           HN       ALA  14   6.396   7.386   3.999
   94    HA   ALA  14           HA       ALA  14   5.567   9.957   3.276
   95   1HB   ALA  14          HB1       ALA  14   7.554   9.475   4.595
   96   2HB   ALA  14          HB2       ALA  14   7.941  10.515   3.229
   97   3HB   ALA  14          HB3       ALA  14   8.364   8.792   3.189
   98    H    GLN  15           HN       GLN  15   6.891   7.310   1.432
   99    HA   GLN  15           HA       GLN  15   6.323   8.799  -1.097
  100   1HB   GLN  15          HB2       GLN  15   8.625   6.932  -0.409
  101   2HB   GLN  15          HB1       GLN  15   8.242   7.476  -2.056
  102   1HG   GLN  15          HG2       GLN  15   8.657   9.791  -1.404
  103   2HG   GLN  15          HG1       GLN  15   9.005   9.282   0.254
  104   1HE2  GLN  15          HE21      GLN  15  10.659  10.682  -1.764
  105   2HE2  GLN  15          HE22      GLN  15  12.081   9.709  -1.886
  106    H    ASN  16           HN       ASN  16   4.439   7.441   0.170
  107    HA   ASN  16           HA       ASN  16   4.223   4.692  -0.362
  108   1HB   ASN  16          HB2       ASN  16   2.808   5.807   1.245
  109   2HB   ASN  16          HB1       ASN  16   2.041   6.769   0.002
  110   1HD2  ASN  16          HD21      ASN  16  -0.008   5.962   0.573
  111   2HD2  ASN  16          HD22      ASN  16  -0.464   4.343   0.203
  112    HA   PRO  17           HA       PRO  17   3.645   5.128  -4.801
  113   1HB   PRO  17          HB2       PRO  17   4.297   2.603  -5.416
  114   2HB   PRO  17          HB1       PRO  17   5.502   3.753  -4.832
  115   1HG   PRO  17          HG2       PRO  17   4.101   1.583  -3.310
  116   2HG   PRO  17          HG1       PRO  17   5.813   2.046  -3.307
  117   1HD   PRO  17          HD2       PRO  17   3.979   2.828  -1.417
  118   2HD   PRO  17          HD1       PRO  17   5.505   3.669  -1.778
  119    H    CYS  18           HN       CYS  18   1.928   3.524  -2.456
  120    HA   CYS  18           HA       CYS  18   0.088   2.098  -4.059
  121   1HB   CYS  18          HB2       CYS  18   0.807   1.737  -1.593
  122   2HB   CYS  18          HB1       CYS  18  -0.398   2.941  -1.218
  123    H    CYS  19           HN       CYS  19  -1.967   2.585  -4.506
  124    HA   CYS  19           HA       CYS  19  -2.491   5.245  -5.297
  125   1HB   CYS  19          HB2       CYS  19  -4.395   2.904  -4.964
  126   2HB   CYS  19          HB1       CYS  19  -4.783   4.404  -5.802
  127    H    ARG  20           HN       ARG  20  -3.819   6.748  -4.612
  128    HA   ARG  20           HA       ARG  20  -3.785   7.192  -1.785
  129   1HB   ARG  20          HB2       ARG  20  -5.335   8.667  -3.958
  130   2HB   ARG  20          HB1       ARG  20  -5.046   9.269  -2.321
  131   1HG   ARG  20          HG2       ARG  20  -3.033   8.824  -4.528
  132   2HG   ARG  20          HG1       ARG  20  -3.549  10.345  -3.802
  133   1HD   ARG  20          HD2       ARG  20  -1.922   8.160  -2.497
  134   2HD   ARG  20          HD1       ARG  20  -1.400   9.765  -2.959
  135    HE   ARG  20           HE       ARG  20  -3.252  10.519  -1.282
  136   1HH1  ARG  20          HH11      ARG  20  -0.872   7.944  -0.900
  137   2HH1  ARG  20          HH12      ARG  20  -0.948   8.006   0.811
  138   1HH2  ARG  20          HH21      ARG  20  -3.320  10.559   0.976
  139   2HH2  ARG  20          HH22      ARG  20  -2.316   9.483   1.892
  140    H    GLY  21           HN       GLY  21  -5.025   6.527  -0.320
  141   1HA   GLY  21          HA2       GLY  21  -7.186   6.091   0.578
  142   2HA   GLY  21          HA1       GLY  21  -7.770   5.567  -0.993
  143    H    LEU  22           HN       LEU  22  -4.737   4.410  -0.822
  144    HA   LEU  22           HA       LEU  22  -5.440   1.930   0.656
  145   1HB   LEU  22          HB2       LEU  22  -3.815   2.125  -1.891
  146   2HB   LEU  22          HB1       LEU  22  -4.254   0.642  -1.038
  147    HG   LEU  22           HG       LEU  22  -6.156   2.521  -2.482
  148   1HD1  LEU  22          HD11      LEU  22  -5.234  -0.239  -3.250
  149   2HD1  LEU  22          HD12      LEU  22  -4.615   1.239  -3.966
  150   3HD1  LEU  22          HD13      LEU  22  -6.312   0.816  -4.145
  151   1HD2  LEU  22          HD21      LEU  22  -7.220   1.329  -0.557
  152   2HD2  LEU  22          HD22      LEU  22  -6.662  -0.187  -1.258
  153   3HD2  LEU  22          HD23      LEU  22  -7.815   0.811  -2.120
  154    H    GLN  23           HN       GLN  23  -4.010   1.269   2.034
  155    HA   GLN  23           HA       GLN  23  -1.430   2.767   2.186
  156   1HB   GLN  23          HB2       GLN  23  -3.152   1.556   4.334
  157   2HB   GLN  23          HB1       GLN  23  -1.503   2.082   4.663
  158   1HG   GLN  23          HG2       GLN  23  -3.796   3.790   3.705
  159   2HG   GLN  23          HG1       GLN  23  -3.216   3.698   5.360
  160   1HE2  GLN  23          HE21      GLN  23  -1.186   4.682   5.836
  161   2HE2  GLN  23          HE22      GLN  23  -0.512   5.842   4.747
  162    H    CYS  24           HN       CYS  24   0.229   1.788   1.713
  163    HA   CYS  24           HA       CYS  24   0.317  -1.073   1.365
  164   1HB   CYS  24          HB2       CYS  24   1.442   0.311  -0.236
  165   2HB   CYS  24          HB1       CYS  24   2.392   1.070   1.007
  166    H    ARG  25           HN       ARG  25   0.624  -2.405   2.873
  167    HA   ARG  25           HA       ARG  25   2.254  -1.694   5.210
  168   1HB   ARG  25          HB2       ARG  25   0.152  -3.763   4.676
  169   2HB   ARG  25          HB1       ARG  25   1.321  -4.036   5.961
  170   1HG   ARG  25          HG2       ARG  25  -0.642  -3.124   6.915
  171   2HG   ARG  25          HG1       ARG  25   0.638  -1.922   7.045
  172   1HD   ARG  25          HD2       ARG  25  -0.316  -0.734   5.103
  173   2HD   ARG  25          HD1       ARG  25  -1.567  -1.973   4.978
  174    HE   ARG  25           HE       ARG  25  -1.261  -0.385   7.461
  175   1HH1  ARG  25          HH11      ARG  25  -3.112  -0.998   4.556
  176   2HH1  ARG  25          HH12      ARG  25  -4.548  -0.342   5.173
  177   1HH2  ARG  25          HH21      ARG  25  -3.116   0.665   8.203
  178   2HH2  ARG  25          HH22      ARG  25  -4.546   0.679   7.243
  179    H    TYR  26           HN       TYR  26   3.615  -3.379   6.081
  180    HA   TYR  26           HA       TYR  26   5.700  -3.858   4.247
  181   1HB   TYR  26          HB2       TYR  26   5.145  -4.985   6.999
  182   2HB   TYR  26          HB1       TYR  26   6.614  -5.377   6.100
  183    HD1  TYR  26           HD1      TYR  26   8.147  -3.470   5.384
  184    HD2  TYR  26           HD2      TYR  26   5.011  -2.974   8.255
  185    HE1  TYR  26           HE1      TYR  26   9.230  -1.446   6.227
  186    HE2  TYR  26           HE2      TYR  26   6.107  -0.950   9.088
  187    HH   TYR  26           HH       TYR  26   8.747  -0.105   9.030
  188    H    GLY  27           HN       GLY  27   4.885  -4.832   2.514
  189   1HA   GLY  27          HA2       GLY  27   5.288  -7.289   1.825
  190   2HA   GLY  27          HA1       GLY  27   3.816  -7.593   2.746
  191    H    LYS  28           HN       LYS  28   2.246  -5.482   2.173
  192    HA   LYS  28           HA       LYS  28   2.079  -4.967  -0.650
  193   1HB   LYS  28          HB2       LYS  28   0.125  -6.254  -1.177
  194   2HB   LYS  28          HB1       LYS  28   1.323  -7.352  -0.514
  195   1HG   LYS  28          HG2       LYS  28   0.213  -7.319   1.661
  196   2HG   LYS  28          HG1       LYS  28  -1.008  -6.185   1.038
  197   1HD   LYS  28          HD2       LYS  28  -1.642  -7.898  -0.667
  198   2HD   LYS  28          HD1       LYS  28  -0.532  -9.029   0.121
  199   1HE   LYS  28          HE2       LYS  28  -1.821  -8.731   2.233
  200   2HE   LYS  28          HE1       LYS  28  -2.971  -7.722   1.336
  201   1HZ   LYS  28          HZ1       LYS  28  -3.723  -9.977   1.539
  202   2HZ   LYS  28          HZ2       LYS  28  -2.349 -10.581   0.768
  203   3HZ   LYS  28          HZ3       LYS  28  -3.460  -9.616  -0.090
  204    H    CYS  29           HN       CYS  29  -0.032  -4.058  -1.237
  205    HA   CYS  29           HA       CYS  29  -0.746  -1.989   0.602
  206   1HB   CYS  29          HB2       CYS  29  -1.627  -2.784  -2.119
  207   2HB   CYS  29          HB1       CYS  29  -2.503  -1.527  -1.249
  208    H    LEU  30           HN       LEU  30  -2.493  -1.689   1.706
  209    HA   LEU  30           HA       LEU  30  -4.624  -3.757   1.610
  210   1HB   LEU  30          HB2       LEU  30  -3.589  -2.294   4.028
  211   2HB   LEU  30          HB1       LEU  30  -4.963  -3.370   4.033
  212    HG   LEU  30           HG       LEU  30  -2.064  -4.105   3.542
  213   1HD1  LEU  30          HD11      LEU  30  -2.747  -3.555   5.909
  214   2HD1  LEU  30          HD12      LEU  30  -2.153  -5.180   5.635
  215   3HD1  LEU  30          HD13      LEU  30  -3.882  -4.902   5.816
  216   1HD2  LEU  30          HD21      LEU  30  -4.574  -5.807   3.524
  217   2HD2  LEU  30          HD22      LEU  30  -2.934  -6.433   3.635
  218   3HD2  LEU  30          HD23      LEU  30  -3.432  -5.578   2.200
  219    H    VAL  31           HN       VAL  31  -6.629  -3.078   1.892
  220    HA   VAL  31           HA       VAL  31  -7.072  -0.511   0.634
  221    HB   VAL  31           HB       VAL  31  -9.433  -1.225   0.475
  222   1HG1  VAL  31          HG11      VAL  31  -7.381  -3.177  -0.555
  223   2HG1  VAL  31          HG12      VAL  31  -7.987  -1.724  -1.363
  224   3HG1  VAL  31          HG13      VAL  31  -9.057  -3.082  -1.087
  225   1HG2  VAL  31          HG21      VAL  31  -8.418  -3.703   1.905
  226   2HG2  VAL  31          HG22      VAL  31  -9.925  -3.615   1.016
  227   3HG2  VAL  31          HG23      VAL  31  -9.708  -2.616   2.432
  228    H    GLN  32           HN       GLN  32  -7.311   1.248   1.623
  229    HA   GLN  32           HA       GLN  32  -8.435   1.350   4.360
  230   1HB   GLN  32          HB2       GLN  32  -7.368   3.556   2.577
  231   2HB   GLN  32          HB1       GLN  32  -7.914   3.776   4.211
  232   1HG   GLN  32          HG2       GLN  32  -5.500   2.216   3.284
  233   2HG   GLN  32          HG1       GLN  32  -5.594   3.757   4.132
  234   1HE2  GLN  32          HE21      GLN  32  -6.187   3.833   6.325
  235   2HE2  GLN  32          HE22      GLN  32  -6.101   2.407   7.295
  236    H    VAL  33           HN       VAL  33  -8.915   2.762   1.196
  237    HA   VAL  33           HA       VAL  33 -11.731   3.399   1.870
  238    HB   VAL  33           HB       VAL  33 -10.115   4.187  -0.583
  239   1HG1  VAL  33          HG11      VAL  33 -12.874   4.956   0.417
  240   2HG1  VAL  33          HG12      VAL  33 -12.432   4.241  -1.144
  241   3HG1  VAL  33          HG13      VAL  33 -11.968   5.888  -0.771
  242   1HG2  VAL  33          HG21      VAL  33  -9.177   5.195   1.449
  243   2HG2  VAL  33          HG22      VAL  33 -10.778   5.828   1.874
  244   3HG2  VAL  33          HG23      VAL  33  -9.963   6.382   0.413
  245   1HG   HSL  34          HG1       HSL  34 -13.122  -2.969  -0.311
  246   2HG   HSL  34          HG2       HSL  34 -12.655  -3.189   1.388
  247    H    HSL  34           HN       HSL  34 -12.334   1.283   1.939
  248    HA   HSL  34           HA       HSL  34 -13.039   0.293  -0.444
  249   1HB   HSL  34          HB1       HSL  34 -11.384  -1.346   1.373
  250   2HB   HSL  34          HB2       HSL  34 -11.527  -1.395  -0.388
  Start of MODEL   13
    1   1H    ALA   1           HT1      ALA   1   3.045   3.670 -12.207
    2   2H    ALA   1           HT2      ALA   1   1.897   4.900 -11.941
    3   3H    ALA   1           HT3      ALA   1   1.892   4.040 -13.390
    4    HA   ALA   1           HA       ALA   1   0.101   3.291 -12.028
    5   1HB   ALA   1          HB1       ALA   1   1.175   1.710 -13.520
    6   2HB   ALA   1          HB2       ALA   1   0.582   0.887 -12.082
    7   3HB   ALA   1          HB3       ALA   1   2.313   1.234 -12.263
    8    H    CYS   2           HN       CYS   2  -0.711   3.053 -10.137
    9    HA   CYS   2           HA       CYS   2   1.025   3.288  -7.766
   10   1HB   CYS   2          HB2       CYS   2  -0.964   3.873  -6.608
   11   2HB   CYS   2          HB1       CYS   2  -0.994   4.738  -8.112
   12    H    GLY   3           HN       GLY   3   0.894   1.862  -6.068
   13   1HA   GLY   3          HA2       GLY   3   0.364  -0.835  -6.405
   14   2HA   GLY   3          HA1       GLY   3   0.445   0.002  -4.858
   15    H    ILE   4           HN       ILE   4  -1.403  -2.044  -6.077
   16    HA   ILE   4           HA       ILE   4  -3.993  -0.677  -5.678
   17    HB   ILE   4           HB       ILE   4  -4.939  -2.661  -6.987
   18   1HG1  ILE   4          HG12      ILE   4  -2.027  -2.975  -7.775
   19   2HG1  ILE   4          HG11      ILE   4  -2.957  -4.140  -6.812
   20   1HG2  ILE   4          HG21      ILE   4  -4.721  -0.382  -7.845
   21   2HG2  ILE   4          HG22      ILE   4  -4.571  -1.619  -9.077
   22   3HG2  ILE   4          HG23      ILE   4  -3.123  -0.789  -8.486
   23   1HD1  ILE   4          HD11      ILE   4  -3.402  -3.381  -9.683
   24   2HD1  ILE   4          HD12      ILE   4  -4.478  -4.426  -8.740
   25   3HD1  ILE   4          HD13      ILE   4  -2.808  -4.902  -9.028
   26    H    LEU   5           HN       LEU   5  -5.671  -2.543  -5.332
   27    HA   LEU   5           HA       LEU   5  -5.962  -2.577  -2.732
   28   1HB   LEU   5          HB2       LEU   5  -7.625  -4.383  -2.906
   29   2HB   LEU   5          HB1       LEU   5  -7.786  -3.115  -4.095
   30    HG   LEU   5           HG       LEU   5  -6.378  -5.687  -4.836
   31   1HD1  LEU   5          HD11      LEU   5  -8.553  -6.319  -3.879
   32   2HD1  LEU   5          HD12      LEU   5  -8.474  -6.568  -5.619
   33   3HD1  LEU   5          HD13      LEU   5  -9.357  -5.183  -4.978
   34   1HD2  LEU   5          HD21      LEU   5  -7.623  -3.368  -6.295
   35   2HD2  LEU   5          HD22      LEU   5  -7.563  -4.965  -7.039
   36   3HD2  LEU   5          HD23      LEU   5  -6.083  -4.191  -6.535
   37    H    HIS   6           HN       HIS   6  -4.270  -5.185  -4.407
   38    HA   HIS   6           HA       HIS   6  -3.111  -5.938  -1.784
   39   1HB   HIS   6          HB2       HIS   6  -3.538  -8.300  -2.112
   40   2HB   HIS   6          HB1       HIS   6  -5.062  -7.429  -2.186
   41    HD1  HIS   6           HD1      HIS   6  -2.554  -9.089  -4.494
   42    HD2  HIS   6           HD2      HIS   6  -6.529  -7.867  -4.449
   43    HE1  HIS   6           HE1      HIS   6  -3.532  -9.923  -6.635
   44    HE2  HIS   6           HE2      HIS   6  -5.968  -9.283  -6.538
   45    H    ASP   7           HN       ASP   7  -1.999  -4.417  -3.773
   46    HA   ASP   7           HA       ASP   7  -0.155  -6.188  -5.232
   47   1HB   ASP   7          HB2       ASP   7  -1.120  -4.127  -6.248
   48   2HB   ASP   7          HB1       ASP   7  -0.160  -3.138  -5.188
   49    H    ASN   8           HN       ASN   8   1.954  -6.281  -4.863
   50    HA   ASN   8           HA       ASN   8   2.678  -6.198  -2.104
   51   1HB   ASN   8          HB2       ASN   8   4.730  -7.266  -2.759
   52   2HB   ASN   8          HB1       ASN   8   3.407  -7.949  -3.692
   53   1HD2  ASN   8          HD21      ASN   8   6.340  -6.109  -3.824
   54   2HD2  ASN   8          HD22      ASN   8   6.418  -6.032  -5.548
   55    H    CYS   9           HN       CYS   9   3.931  -4.864  -1.020
   56    HA   CYS   9           HA       CYS   9   5.809  -3.063  -2.174
   57   1HB   CYS   9          HB2       CYS   9   4.757  -0.975  -1.817
   58   2HB   CYS   9          HB1       CYS   9   3.580  -1.914  -2.690
   59    H    VAL  10           HN       VAL  10   6.505  -1.420  -0.521
   60    HA   VAL  10           HA       VAL  10   6.708  -2.788   2.124
   61    HB   VAL  10           HB       VAL  10   8.616  -0.779   0.859
   62   1HG1  VAL  10          HG11      VAL  10   8.714  -2.405   3.418
   63   2HG1  VAL  10          HG12      VAL  10   8.810  -0.645   3.232
   64   3HG1  VAL  10          HG13      VAL  10  10.126  -1.659   2.677
   65   1HG2  VAL  10          HG21      VAL  10   8.915  -3.783   1.098
   66   2HG2  VAL  10          HG22      VAL  10  10.114  -2.639   0.498
   67   3HG2  VAL  10          HG23      VAL  10   8.621  -2.884  -0.401
   68    H    TYR  11           HN       TYR  11   6.456  -1.654   3.928
   69    HA   TYR  11           HA       TYR  11   4.524   0.443   3.858
   70   1HB   TYR  11          HB2       TYR  11   4.595  -1.167   5.661
   71   2HB   TYR  11          HB1       TYR  11   6.183  -0.627   6.137
   72    HD1  TYR  11           HD1      TYR  11   6.372   1.024   7.811
   73    HD2  TYR  11           HD2      TYR  11   2.673   0.621   5.719
   74    HE1  TYR  11           HE1      TYR  11   5.329   2.638   9.323
   75    HE2  TYR  11           HE2      TYR  11   1.641   2.238   7.219
   76    HH   TYR  11           HH       TYR  11   3.157   4.332   9.011
   77    H    VAL  12           HN       VAL  12   5.540   1.877   2.497
   78    HA   VAL  12           HA       VAL  12   7.293   3.791   3.954
   79    HB   VAL  12           HB       VAL  12   8.302   4.419   1.783
   80   1HG1  VAL  12          HG11      VAL  12   9.863   2.596   1.653
   81   2HG1  VAL  12          HG12      VAL  12   8.778   1.549   2.565
   82   3HG1  VAL  12          HG13      VAL  12   9.501   2.973   3.334
   83   1HG2  VAL  12          HG21      VAL  12   6.792   2.011   0.766
   84   2HG2  VAL  12          HG22      VAL  12   8.213   2.638  -0.022
   85   3HG2  VAL  12          HG23      VAL  12   6.793   3.639   0.120
   86    HA   PRO  13           HA       PRO  13   3.135   5.539   2.937
   87   1HB   PRO  13          HB2       PRO  13   3.255   7.294   5.100
   88   2HB   PRO  13          HB1       PRO  13   2.561   5.675   5.117
   89   1HG   PRO  13          HG2       PRO  13   5.259   6.569   6.030
   90   2HG   PRO  13          HG1       PRO  13   4.136   5.412   6.768
   91   1HD   PRO  13          HD2       PRO  13   6.272   4.626   5.416
   92   2HD   PRO  13          HD1       PRO  13   4.759   3.694   5.352
   93    H    ALA  14           HN       ALA  14   6.047   7.200   4.047
   94    HA   ALA  14           HA       ALA  14   5.425   9.749   2.956
   95   1HB   ALA  14          HB1       ALA  14   7.763  10.279   3.418
   96   2HB   ALA  14          HB2       ALA  14   8.119   8.559   3.676
   97   3HB   ALA  14          HB3       ALA  14   7.021   9.409   4.757
   98    H    GLN  15           HN       GLN  15   6.815   6.853   1.720
   99    HA   GLN  15           HA       GLN  15   7.240   8.117  -0.924
  100   1HB   GLN  15          HB2       GLN  15   8.546   5.775   0.466
  101   2HB   GLN  15          HB1       GLN  15   8.749   6.033  -1.255
  102   1HG   GLN  15          HG2       GLN  15   9.517   8.031   0.900
  103   2HG   GLN  15          HG1       GLN  15  10.595   6.826   0.202
  104   1HE2  GLN  15          HE21      GLN  15  11.988   8.423  -0.602
  105   2HE2  GLN  15          HE22      GLN  15  11.541   9.369  -1.977
  106    H    ASN  16           HN       ASN  16   4.743   7.387   0.041
  107    HA   ASN  16           HA       ASN  16   3.892   4.801  -0.426
  108   1HB   ASN  16          HB2       ASN  16   2.621   6.617   0.699
  109   2HB   ASN  16          HB1       ASN  16   2.217   7.305  -0.855
  110   1HD2  ASN  16          HD21      ASN  16   0.333   6.415   1.078
  111   2HD2  ASN  16          HD22      ASN  16  -0.481   5.050   0.401
  112    HA   PRO  17           HA       PRO  17   4.051   4.942  -4.959
  113   1HB   PRO  17          HB2       PRO  17   4.778   2.373  -5.256
  114   2HB   PRO  17          HB1       PRO  17   5.900   3.595  -4.660
  115   1HG   PRO  17          HG2       PRO  17   4.541   1.432  -3.176
  116   2HG   PRO  17          HG1       PRO  17   6.092   2.223  -2.856
  117   1HD   PRO  17          HD2       PRO  17   3.543   2.760  -1.658
  118   2HD   PRO  17          HD1       PRO  17   5.118   3.518  -1.344
  119    H    CYS  18           HN       CYS  18   1.908   3.981  -2.806
  120    HA   CYS  18           HA       CYS  18   0.266   2.267  -4.501
  121   1HB   CYS  18          HB2       CYS  18   0.984   1.740  -2.100
  122   2HB   CYS  18          HB1       CYS  18  -0.223   2.902  -1.600
  123    H    CYS  19           HN       CYS  19  -1.943   2.730  -4.692
  124    HA   CYS  19           HA       CYS  19  -2.462   5.474  -5.239
  125   1HB   CYS  19          HB2       CYS  19  -3.996   2.960  -5.360
  126   2HB   CYS  19          HB1       CYS  19  -4.991   4.382  -5.076
  127    H    ARG  20           HN       ARG  20  -3.516   6.963  -4.261
  128    HA   ARG  20           HA       ARG  20  -3.264   7.066  -1.431
  129   1HB   ARG  20          HB2       ARG  20  -3.009   8.988  -2.929
  130   2HB   ARG  20          HB1       ARG  20  -4.731   8.960  -3.313
  131   1HG   ARG  20          HG2       ARG  20  -5.321   9.568  -1.071
  132   2HG   ARG  20          HG1       ARG  20  -3.666   9.320  -0.491
  133   1HD   ARG  20          HD2       ARG  20  -2.919  11.185  -1.920
  134   2HD   ARG  20          HD1       ARG  20  -4.571  11.409  -2.473
  135    HE   ARG  20           HE       ARG  20  -5.241  12.100  -0.295
  136   1HH1  ARG  20          HH11      ARG  20  -1.743  11.811  -0.686
  137   2HH1  ARG  20          HH12      ARG  20  -1.416  12.953   0.548
  138   1HH2  ARG  20          HH21      ARG  20  -4.740  13.595   1.358
  139   2HH2  ARG  20          HH22      ARG  20  -3.086  13.961   1.718
  140    H    GLY  21           HN       GLY  21  -4.450   5.998  -0.147
  141   1HA   GLY  21          HA2       GLY  21  -6.771   5.988   0.802
  142   2HA   GLY  21          HA1       GLY  21  -7.327   5.471  -0.786
  143    H    LEU  22           HN       LEU  22  -4.489   4.066  -0.736
  144    HA   LEU  22           HA       LEU  22  -5.403   1.663   0.759
  145   1HB   LEU  22          HB2       LEU  22  -3.634   1.877  -1.684
  146   2HB   LEU  22          HB1       LEU  22  -3.969   0.380  -0.814
  147    HG   LEU  22           HG       LEU  22  -6.440   0.808  -1.396
  148   1HD1  LEU  22          HD11      LEU  22  -6.580   2.133  -3.600
  149   2HD1  LEU  22          HD12      LEU  22  -5.122   2.925  -3.059
  150   3HD1  LEU  22          HD13      LEU  22  -6.579   3.013  -2.100
  151   1HD2  LEU  22          HD21      LEU  22  -6.231  -0.283  -3.457
  152   2HD2  LEU  22          HD22      LEU  22  -4.883  -0.838  -2.470
  153   3HD2  LEU  22          HD23      LEU  22  -4.610   0.351  -3.748
  154    H    GLN  23           HN       GLN  23  -4.258   0.945   2.268
  155    HA   GLN  23           HA       GLN  23  -1.925   2.418   3.184
  156   1HB   GLN  23          HB2       GLN  23  -3.337  -0.015   4.357
  157   2HB   GLN  23          HB1       GLN  23  -2.060   0.946   5.136
  158   1HG   GLN  23          HG2       GLN  23  -3.524   2.892   5.202
  159   2HG   GLN  23          HG1       GLN  23  -4.790   2.002   4.343
  160   1HE2  GLN  23          HE21      GLN  23  -2.756   0.518   6.849
  161   2HE2  GLN  23          HE22      GLN  23  -4.043   0.375   7.963
  162    H    CYS  24           HN       CYS  24  -0.361   2.033   1.764
  163    HA   CYS  24           HA       CYS  24   0.571  -0.552   1.007
  164   1HB   CYS  24          HB2       CYS  24   1.198   1.342  -0.262
  165   2HB   CYS  24          HB1       CYS  24   1.971   2.125   1.080
  166    H    ARG  25           HN       ARG  25   0.868  -1.930   2.526
  167    HA   ARG  25           HA       ARG  25   2.461  -1.178   4.928
  168   1HB   ARG  25          HB2       ARG  25   0.082  -1.696   5.299
  169   2HB   ARG  25          HB1       ARG  25   0.298  -3.289   4.578
  170   1HG   ARG  25          HG2       ARG  25   1.650  -4.029   6.389
  171   2HG   ARG  25          HG1       ARG  25   1.839  -2.389   7.033
  172   1HD   ARG  25          HD2       ARG  25  -0.408  -2.287   7.703
  173   2HD   ARG  25          HD1       ARG  25  -0.851  -3.720   6.791
  174    HE   ARG  25           HE       ARG  25   0.592  -5.021   8.337
  175   1HH1  ARG  25          HH11      ARG  25  -0.822  -1.969   9.422
  176   2HH1  ARG  25          HH12      ARG  25  -0.918  -2.493  11.050
  177   1HH2  ARG  25          HH21      ARG  25   0.439  -5.649  10.509
  178   2HH2  ARG  25          HH22      ARG  25  -0.211  -4.555  11.685
  179    H    TYR  26           HN       TYR  26   3.595  -2.992   5.897
  180    HA   TYR  26           HA       TYR  26   5.599  -3.890   4.288
  181   1HB   TYR  26          HB2       TYR  26   4.558  -5.132   6.848
  182   2HB   TYR  26          HB1       TYR  26   6.078  -5.607   6.083
  183    HD1  TYR  26           HD1      TYR  26   7.761  -3.635   5.585
  184    HD2  TYR  26           HD2      TYR  26   4.609  -3.472   8.478
  185    HE1  TYR  26           HE1      TYR  26   8.946  -1.861   6.789
  186    HE2  TYR  26           HE2      TYR  26   5.801  -1.699   9.668
  187    HH   TYR  26           HH       TYR  26   7.525   0.054   9.180
  188    H    GLY  27           HN       GLY  27   5.206  -4.823   2.446
  189   1HA   GLY  27          HA2       GLY  27   5.349  -7.021   1.501
  190   2HA   GLY  27          HA1       GLY  27   4.044  -7.574   2.530
  191    H    LYS  28           HN       LYS  28   2.378  -5.223   2.130
  192    HA   LYS  28           HA       LYS  28   1.724  -5.158  -0.673
  193   1HB   LYS  28          HB2       LYS  28  -0.432  -6.331  -0.468
  194   2HB   LYS  28          HB1       LYS  28   0.938  -7.391  -0.145
  195   1HG   LYS  28          HG2       LYS  28   0.595  -7.259   2.235
  196   2HG   LYS  28          HG1       LYS  28  -0.707  -6.066   2.038
  197   1HD   LYS  28          HD2       LYS  28  -2.056  -7.725   0.832
  198   2HD   LYS  28          HD1       LYS  28  -0.763  -8.924   1.024
  199   1HE   LYS  28          HE2       LYS  28  -1.013  -8.892   3.409
  200   2HE   LYS  28          HE1       LYS  28  -2.165  -7.574   3.333
  201   1HZ   LYS  28          HZ1       LYS  28  -3.257  -9.667   3.639
  202   2HZ   LYS  28          HZ2       LYS  28  -2.567 -10.310   2.239
  203   3HZ   LYS  28          HZ3       LYS  28  -3.697  -9.041   2.133
  204    H    CYS  29           HN       CYS  29  -0.064  -3.982  -1.192
  205    HA   CYS  29           HA       CYS  29  -0.756  -1.837   0.610
  206   1HB   CYS  29          HB2       CYS  29  -1.656  -2.623  -2.137
  207   2HB   CYS  29          HB1       CYS  29  -2.404  -1.275  -1.281
  208    H    LEU  30           HN       LEU  30  -2.489  -1.628   1.768
  209    HA   LEU  30           HA       LEU  30  -4.638  -3.658   1.545
  210   1HB   LEU  30          HB2       LEU  30  -3.546  -2.314   4.036
  211   2HB   LEU  30          HB1       LEU  30  -5.008  -3.305   3.994
  212    HG   LEU  30           HG       LEU  30  -2.202  -4.282   3.386
  213   1HD1  LEU  30          HD11      LEU  30  -2.638  -3.696   5.773
  214   2HD1  LEU  30          HD12      LEU  30  -2.319  -5.401   5.480
  215   3HD1  LEU  30          HD13      LEU  30  -3.971  -4.861   5.771
  216   1HD2  LEU  30          HD21      LEU  30  -3.707  -6.480   3.836
  217   2HD2  LEU  30          HD22      LEU  30  -3.366  -5.830   2.241
  218   3HD2  LEU  30          HD23      LEU  30  -4.903  -5.480   3.029
  219    H    VAL  31           HN       VAL  31  -6.211  -2.816   0.661
  220    HA   VAL  31           HA       VAL  31  -6.865  -0.039   0.646
  221    HB   VAL  31           HB       VAL  31  -7.618  -1.495  -1.147
  222   1HG1  VAL  31          HG11      VAL  31  -9.272  -3.186  -0.887
  223   2HG1  VAL  31          HG12      VAL  31  -9.475  -2.856   0.822
  224   3HG1  VAL  31          HG13      VAL  31  -7.970  -3.560   0.225
  225   1HG2  VAL  31          HG21      VAL  31 -10.097  -0.562   0.313
  226   2HG2  VAL  31          HG22      VAL  31  -9.797  -0.673  -1.413
  227   3HG2  VAL  31          HG23      VAL  31  -8.962   0.552  -0.470
  228    H    GLN  32           HN       GLN  32  -7.984   1.108   1.976
  229    HA   GLN  32           HA       GLN  32  -8.682   0.060   4.584
  230   1HB   GLN  32          HB2       GLN  32  -9.380   2.364   5.104
  231   2HB   GLN  32          HB1       GLN  32  -7.757   2.255   4.421
  232   1HG   GLN  32          HG2       GLN  32  -8.591   3.006   2.251
  233   2HG   GLN  32          HG1       GLN  32 -10.223   3.091   2.862
  234   1HE2  GLN  32          HE21      GLN  32 -10.421   5.267   2.396
  235   2HE2  GLN  32          HE22      GLN  32  -9.582   6.452   3.332
  236    H    VAL  33           HN       VAL  33 -10.049  -1.516   3.490
  237    HA   VAL  33           HA       VAL  33 -12.654  -0.664   2.502
  238    HB   VAL  33           HB       VAL  33 -11.528  -2.567   1.437
  239   1HG1  VAL  33          HG11      VAL  33 -11.103  -4.620   2.487
  240   2HG1  VAL  33          HG12      VAL  33 -11.904  -4.165   3.973
  241   3HG1  VAL  33          HG13      VAL  33 -10.370  -3.416   3.527
  242   1HG2  VAL  33          HG21      VAL  33 -14.048  -2.405   1.567
  243   2HG2  VAL  33          HG22      VAL  33 -13.976  -3.603   2.869
  244   3HG2  VAL  33          HG23      VAL  33 -13.374  -4.000   1.271
  245   1HG   HSL  34          HG1       HSL  34 -14.166   2.641   8.084
  246   2HG   HSL  34          HG2       HSL  34 -14.120   1.164   9.069
  247    H    HSL  34           HN       HSL  34 -12.690   0.475   4.652
  248    HA   HSL  34           HA       HSL  34 -13.496  -1.003   6.708
  249   1HB   HSL  34          HB1       HSL  34 -12.337   0.583   7.840
  250   2HB   HSL  34          HB2       HSL  34 -12.667   1.831   6.633
  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1   2.317   2.568 -12.170
    2   2H    ALA   1           HT2      ALA   1   2.681   4.187 -11.785
    3   3H    ALA   1           HT3      ALA   1   2.037   3.802 -13.294
    4    HA   ALA   1           HA       ALA   1   0.346   4.789 -11.934
    5   1HB   ALA   1          HB1       ALA   1  -0.103   1.824 -12.395
    6   2HB   ALA   1          HB2       ALA   1  -0.286   3.110 -13.583
    7   3HB   ALA   1          HB3       ALA   1  -1.368   3.053 -12.196
    8    H    CYS   2           HN       CYS   2  -1.102   4.563 -10.206
    9    HA   CYS   2           HA       CYS   2   0.242   4.114  -7.726
   10   1HB   CYS   2          HB2       CYS   2  -1.814   4.762  -6.721
   11   2HB   CYS   2          HB1       CYS   2  -1.515   5.786  -8.053
   12    H    GLY   3           HN       GLY   3   0.430   2.401  -6.587
   13   1HA   GLY   3          HA2       GLY   3  -0.074  -0.158  -7.420
   14   2HA   GLY   3          HA1       GLY   3   0.244   0.293  -5.761
   15    H    ILE   4           HN       ILE   4  -1.533  -1.699  -7.000
   16    HA   ILE   4           HA       ILE   4  -4.264  -0.814  -6.554
   17    HB   ILE   4           HB       ILE   4  -4.914  -3.118  -7.076
   18   1HG1  ILE   4          HG12      ILE   4  -1.959  -3.711  -7.300
   19   2HG1  ILE   4          HG11      ILE   4  -2.938  -4.277  -5.955
   20   1HG2  ILE   4          HG21      ILE   4  -2.809  -2.104  -9.001
   21   2HG2  ILE   4          HG22      ILE   4  -4.476  -1.522  -8.881
   22   3HG2  ILE   4          HG23      ILE   4  -4.169  -3.181  -9.355
   23   1HD1  ILE   4          HD11      ILE   4  -4.306  -5.528  -7.613
   24   2HD1  ILE   4          HD12      ILE   4  -2.621  -6.021  -7.479
   25   3HD1  ILE   4          HD13      ILE   4  -3.132  -5.041  -8.848
   26    H    LEU   5           HN       LEU   5  -5.684  -2.144  -5.335
   27    HA   LEU   5           HA       LEU   5  -5.380  -1.564  -2.672
   28   1HB   LEU   5          HB2       LEU   5  -7.435  -2.734  -2.322
   29   2HB   LEU   5          HB1       LEU   5  -7.527  -1.843  -3.802
   30    HG   LEU   5           HG       LEU   5  -6.915  -4.803  -3.743
   31   1HD1  LEU   5          HD11      LEU   5  -9.222  -5.249  -4.133
   32   2HD1  LEU   5          HD12      LEU   5  -9.630  -3.544  -3.955
   33   3HD1  LEU   5          HD13      LEU   5  -9.018  -4.466  -2.569
   34   1HD2  LEU   5          HD21      LEU   5  -7.763  -2.836  -5.866
   35   2HD2  LEU   5          HD22      LEU   5  -8.021  -4.572  -6.032
   36   3HD2  LEU   5          HD23      LEU   5  -6.394  -3.955  -5.852
   37    H    HIS   6           HN       HIS   6  -4.052  -4.253  -4.227
   38    HA   HIS   6           HA       HIS   6  -3.043  -5.227  -1.674
   39   1HB   HIS   6          HB2       HIS   6  -3.655  -7.557  -2.181
   40   2HB   HIS   6          HB1       HIS   6  -5.072  -6.534  -2.013
   41    HD1  HIS   6           HD1      HIS   6  -2.975  -8.110  -4.778
   42    HD2  HIS   6           HD2      HIS   6  -6.817  -6.730  -4.064
   43    HE1  HIS   6           HE1      HIS   6  -4.263  -8.587  -6.870
   44    HE2  HIS   6           HE2      HIS   6  -6.609  -7.807  -6.387
   45    H    ASP   7           HN       ASP   7  -1.728  -3.745  -3.512
   46    HA   ASP   7           HA       ASP   7  -0.128  -5.620  -5.130
   47   1HB   ASP   7          HB2       ASP   7  -0.677  -3.402  -6.039
   48   2HB   ASP   7          HB1       ASP   7   0.168  -2.606  -4.757
   49    H    ASN   8           HN       ASN   8   1.985  -6.001  -4.843
   50    HA   ASN   8           HA       ASN   8   2.875  -6.100  -2.102
   51   1HB   ASN   8          HB2       ASN   8   4.146  -6.919  -4.731
   52   2HB   ASN   8          HB1       ASN   8   4.973  -7.104  -3.179
   53   1HD2  ASN   8          HD21      ASN   8   5.093  -9.327  -3.411
   54   2HD2  ASN   8          HD22      ASN   8   3.689 -10.317  -3.233
   55    H    CYS   9           HN       CYS   9   3.774  -4.558  -1.100
   56    HA   CYS   9           HA       CYS   9   5.851  -2.905  -2.309
   57   1HB   CYS   9          HB2       CYS   9   4.641  -0.772  -1.655
   58   2HB   CYS   9          HB1       CYS   9   3.971  -1.636  -3.027
   59    H    VAL  10           HN       VAL  10   6.990  -1.721  -0.891
   60    HA   VAL  10           HA       VAL  10   7.192  -2.968   1.740
   61    HB   VAL  10           HB       VAL  10   9.208  -2.481   0.381
   62   1HG1  VAL  10          HG11      VAL  10  10.027  -0.333  -0.009
   63   2HG1  VAL  10          HG12      VAL  10   8.842   0.438   1.026
   64   3HG1  VAL  10          HG13      VAL  10   8.350  -0.254  -0.524
   65   1HG2  VAL  10          HG21      VAL  10   9.286  -2.684   2.877
   66   2HG2  VAL  10          HG22      VAL  10   9.238  -0.914   2.971
   67   3HG2  VAL  10          HG23      VAL  10  10.573  -1.722   2.163
   68    H    TYR  11           HN       TYR  11   7.252  -1.822   3.619
   69    HA   TYR  11           HA       TYR  11   4.980  -0.104   3.941
   70   1HB   TYR  11          HB2       TYR  11   5.599  -0.209   6.392
   71   2HB   TYR  11          HB1       TYR  11   5.317  -1.738   5.602
   72    HD1  TYR  11           HD1      TYR  11   7.734   0.271   7.398
   73    HD2  TYR  11           HD2      TYR  11   7.303  -3.206   4.945
   74    HE1  TYR  11           HE1      TYR  11   9.916  -0.548   8.146
   75    HE2  TYR  11           HE2      TYR  11   9.441  -4.038   5.738
   76    HH   TYR  11           HH       TYR  11  11.682  -2.665   6.692
   77    H    VAL  12           HN       VAL  12   6.042   1.444   2.439
   78    HA   VAL  12           HA       VAL  12   7.391   3.535   4.046
   79    HB   VAL  12           HB       VAL  12   8.954   2.742   2.391
   80   1HG1  VAL  12          HG11      VAL  12   7.206   1.924   0.730
   81   2HG1  VAL  12          HG12      VAL  12   8.604   2.749   0.083
   82   3HG1  VAL  12          HG13      VAL  12   7.078   3.598   0.185
   83   1HG2  VAL  12          HG21      VAL  12   7.916   5.420   1.475
   84   2HG2  VAL  12          HG22      VAL  12   9.560   4.819   1.480
   85   3HG2  VAL  12          HG23      VAL  12   8.772   5.195   3.005
   86    HA   PRO  13           HA       PRO  13   3.167   4.906   2.994
   87   1HB   PRO  13          HB2       PRO  13   2.913   6.494   5.207
   88   2HB   PRO  13          HB1       PRO  13   2.602   4.759   5.179
   89   1HG   PRO  13          HG2       PRO  13   5.044   6.207   6.122
   90   2HG   PRO  13          HG1       PRO  13   4.179   4.844   6.856
   91   1HD   PRO  13          HD2       PRO  13   6.441   4.545   5.458
   92   2HD   PRO  13          HD1       PRO  13   5.175   3.295   5.494
   93    H    ALA  14           HN       ALA  14   5.924   6.768   4.130
   94    HA   ALA  14           HA       ALA  14   5.049   9.345   3.457
   95   1HB   ALA  14          HB1       ALA  14   7.392   9.986   3.653
   96   2HB   ALA  14          HB2       ALA  14   7.882   8.282   3.579
   97   3HB   ALA  14          HB3       ALA  14   6.921   8.870   4.930
   98    H    GLN  15           HN       GLN  15   6.396   6.782   1.594
   99    HA   GLN  15           HA       GLN  15   5.944   8.329  -0.878
  100   1HB   GLN  15          HB2       GLN  15   8.355   8.382  -0.435
  101   2HB   GLN  15          HB1       GLN  15   8.390   6.655  -0.153
  102   1HG   GLN  15          HG2       GLN  15   9.295   7.267  -2.314
  103   2HG   GLN  15          HG1       GLN  15   7.929   6.204  -2.509
  104   1HE2  GLN  15          HE21      GLN  15   7.391   6.847  -4.580
  105   2HE2  GLN  15          HE22      GLN  15   6.851   8.447  -4.945
  106    H    ASN  16           HN       ASN  16   4.104   6.844   0.193
  107    HA   ASN  16           HA       ASN  16   4.121   4.097  -0.466
  108   1HB   ASN  16          HB2       ASN  16   1.675   4.165  -0.179
  109   2HB   ASN  16          HB1       ASN  16   2.546   4.935   1.119
  110   1HD2  ASN  16          HD21      ASN  16  -0.240   5.271   0.134
  111   2HD2  ASN  16          HD22      ASN  16  -0.376   6.970  -0.144
  112    HA   PRO  17           HA       PRO  17   3.815   4.691  -4.898
  113   1HB   PRO  17          HB2       PRO  17   4.295   2.111  -5.543
  114   2HB   PRO  17          HB1       PRO  17   5.552   3.185  -4.927
  115   1HG   PRO  17          HG2       PRO  17   3.980   1.107  -3.444
  116   2HG   PRO  17          HG1       PRO  17   5.719   1.453  -3.407
  117   1HD   PRO  17          HD2       PRO  17   3.967   2.323  -1.534
  118   2HD   PRO  17          HD1       PRO  17   5.489   3.151  -1.923
  119    H    CYS  18           HN       CYS  18   1.891   2.968  -2.732
  120    HA   CYS  18           HA       CYS  18   0.057   1.818  -4.568
  121   1HB   CYS  18          HB2       CYS  18   0.612   1.053  -2.244
  122   2HB   CYS  18          HB1       CYS  18  -0.411   2.324  -1.620
  123    H    CYS  19           HN       CYS  19  -2.177   2.368  -4.621
  124    HA   CYS  19           HA       CYS  19  -2.498   5.120  -5.288
  125   1HB   CYS  19          HB2       CYS  19  -3.716   2.819  -6.081
  126   2HB   CYS  19          HB1       CYS  19  -4.932   3.426  -4.981
  127    H    ARG  20           HN       ARG  20  -3.867   6.589  -4.524
  128    HA   ARG  20           HA       ARG  20  -3.640   6.895  -1.681
  129   1HB   ARG  20          HB2       ARG  20  -4.874   8.499  -3.914
  130   2HB   ARG  20          HB1       ARG  20  -5.251   8.930  -2.251
  131   1HG   ARG  20          HG2       ARG  20  -3.388  10.215  -3.232
  132   2HG   ARG  20          HG1       ARG  20  -2.980   9.382  -1.733
  133   1HD   ARG  20          HD2       ARG  20  -1.199   9.209  -3.308
  134   2HD   ARG  20          HD1       ARG  20  -1.848   7.598  -3.050
  135    HE   ARG  20           HE       ARG  20  -3.187   8.507  -5.287
  136   1HH1  ARG  20          HH11      ARG  20   0.208   8.165  -4.423
  137   2HH1  ARG  20          HH12      ARG  20   0.696   7.987  -6.059
  138   1HH2  ARG  20          HH21      ARG  20  -2.489   8.238  -7.425
  139   2HH2  ARG  20          HH22      ARG  20  -0.803   8.019  -7.758
  140    H    GLY  21           HN       GLY  21  -4.923   6.466  -0.133
  141   1HA   GLY  21          HA2       GLY  21  -6.998   5.944   0.853
  142   2HA   GLY  21          HA1       GLY  21  -7.650   5.427  -0.692
  143    H    LEU  22           HN       LEU  22  -4.714   4.233  -0.865
  144    HA   LEU  22           HA       LEU  22  -5.284   1.728   0.612
  145   1HB   LEU  22          HB2       LEU  22  -3.603   1.928  -1.864
  146   2HB   LEU  22          HB1       LEU  22  -4.358   0.505  -1.156
  147    HG   LEU  22           HG       LEU  22  -5.812   2.743  -2.581
  148   1HD1  LEU  22          HD11      LEU  22  -5.684   0.022  -3.680
  149   2HD1  LEU  22          HD12      LEU  22  -4.248   0.990  -3.858
  150   3HD1  LEU  22          HD13      LEU  22  -5.788   1.553  -4.469
  151   1HD2  LEU  22          HD21      LEU  22  -7.133   1.477  -0.788
  152   2HD2  LEU  22          HD22      LEU  22  -6.873   0.043  -1.781
  153   3HD2  LEU  22          HD23      LEU  22  -7.742   1.417  -2.427
  154    H    GLN  23           HN       GLN  23  -3.721   0.970   1.862
  155    HA   GLN  23           HA       GLN  23  -1.249   2.642   2.047
  156   1HB   GLN  23          HB2       GLN  23  -2.980   1.556   4.287
  157   2HB   GLN  23          HB1       GLN  23  -1.359   2.248   4.521
  158   1HG   GLN  23          HG2       GLN  23  -2.204   4.382   3.503
  159   2HG   GLN  23          HG1       GLN  23  -3.821   3.665   3.469
  160   1HE2  GLN  23          HE21      GLN  23  -1.267   4.936   5.503
  161   2HE2  GLN  23          HE22      GLN  23  -2.251   5.070   6.916
  162    H    CYS  24           HN       CYS  24   0.460   1.690   1.778
  163    HA   CYS  24           HA       CYS  24   0.726  -1.122   1.470
  164   1HB   CYS  24          HB2       CYS  24   2.680   1.130   1.553
  165   2HB   CYS  24          HB1       CYS  24   3.219  -0.546   1.413
  166    H    ARG  25           HN       ARG  25   0.448  -2.408   3.066
  167    HA   ARG  25           HA       ARG  25   1.809  -1.928   5.633
  168   1HB   ARG  25          HB2       ARG  25  -0.530  -2.956   5.334
  169   2HB   ARG  25          HB1       ARG  25   0.275  -4.421   4.768
  170   1HG   ARG  25          HG2       ARG  25   1.500  -4.530   6.945
  171   2HG   ARG  25          HG1       ARG  25   0.603  -3.102   7.487
  172   1HD   ARG  25          HD2       ARG  25  -1.498  -4.410   7.044
  173   2HD   ARG  25          HD1       ARG  25  -0.471  -5.838   6.814
  174    HE   ARG  25           HE       ARG  25   0.095  -4.541   9.289
  175   1HH1  ARG  25          HH11      ARG  25  -2.331  -6.580   7.758
  176   2HH1  ARG  25          HH12      ARG  25  -2.887  -7.205   9.260
  177   1HH2  ARG  25          HH21      ARG  25  -0.640  -5.406  11.229
  178   2HH2  ARG  25          HH22      ARG  25  -1.940  -6.552  11.231
  179    H    TYR  26           HN       TYR  26   3.316  -3.364   6.385
  180    HA   TYR  26           HA       TYR  26   5.480  -3.836   4.844
  181   1HB   TYR  26          HB2       TYR  26   5.999  -5.754   6.657
  182   2HB   TYR  26          HB1       TYR  26   6.054  -4.041   7.010
  183    HD1  TYR  26           HD1      TYR  26   4.359  -2.950   8.368
  184    HD2  TYR  26           HD2      TYR  26   4.166  -7.150   7.564
  185    HE1  TYR  26           HE1      TYR  26   2.729  -3.224  10.165
  186    HE2  TYR  26           HE2      TYR  26   2.529  -7.408   9.371
  187    HH   TYR  26           HH       TYR  26   2.013  -5.908  11.643
  188    H    GLY  27           HN       GLY  27   5.074  -4.603   2.901
  189   1HA   GLY  27          HA2       GLY  27   5.667  -6.640   1.717
  190   2HA   GLY  27          HA1       GLY  27   4.507  -7.531   2.684
  191    H    LYS  28           HN       LYS  28   2.365  -5.751   2.640
  192    HA   LYS  28           HA       LYS  28   1.619  -5.668  -0.233
  193   1HB   LYS  28          HB2       LYS  28  -0.414  -6.908   0.174
  194   2HB   LYS  28          HB1       LYS  28   0.991  -7.854   0.662
  195   1HG   LYS  28          HG2       LYS  28   0.569  -7.525   2.986
  196   2HG   LYS  28          HG1       LYS  28  -0.644  -6.289   2.684
  197   1HD   LYS  28          HD2       LYS  28  -1.804  -8.240   3.251
  198   2HD   LYS  28          HD1       LYS  28  -2.068  -7.978   1.529
  199   1HE   LYS  28          HE2       LYS  28  -1.652 -10.239   1.698
  200   2HE   LYS  28          HE1       LYS  28  -0.080  -9.653   1.203
  201   1HZ   LYS  28          HZ1       LYS  28   0.621  -9.745   3.549
  202   2HZ   LYS  28          HZ2       LYS  28   0.090 -11.241   2.978
  203   3HZ   LYS  28          HZ3       LYS  28  -0.913 -10.337   3.990
  204    H    CYS  29           HN       CYS  29   0.258  -4.193  -0.781
  205    HA   CYS  29           HA       CYS  29  -0.486  -2.128   1.093
  206   1HB   CYS  29          HB2       CYS  29   0.138  -1.599  -1.250
  207   2HB   CYS  29          HB1       CYS  29  -1.259  -2.437  -1.817
  208    H    LEU  30           HN       LEU  30  -2.352  -1.735   1.942
  209    HA   LEU  30           HA       LEU  30  -4.521  -3.698   1.456
  210   1HB   LEU  30          HB2       LEU  30  -3.802  -2.170   3.976
  211   2HB   LEU  30          HB1       LEU  30  -5.244  -3.171   3.786
  212    HG   LEU  30           HG       LEU  30  -2.376  -4.150   3.726
  213   1HD1  LEU  30          HD11      LEU  30  -3.080  -3.518   5.957
  214   2HD1  LEU  30          HD12      LEU  30  -3.012  -5.273   5.800
  215   3HD1  LEU  30          HD13      LEU  30  -4.571  -4.461   5.784
  216   1HD2  LEU  30          HD21      LEU  30  -3.476  -6.395   3.788
  217   2HD2  LEU  30          HD22      LEU  30  -3.648  -5.560   2.258
  218   3HD2  LEU  30          HD23      LEU  30  -5.009  -5.622   3.393
  219    H    VAL  31           HN       VAL  31  -6.382  -3.081   0.977
  220    HA   VAL  31           HA       VAL  31  -6.919  -0.377   0.230
  221    HB   VAL  31           HB       VAL  31  -7.920  -2.147  -1.015
  222   1HG1  VAL  31          HG11      VAL  31  -9.697  -3.571  -0.132
  223   2HG1  VAL  31          HG12      VAL  31  -9.357  -2.992   1.478
  224   3HG1  VAL  31          HG13      VAL  31  -8.142  -3.896   0.593
  225   1HG2  VAL  31          HG21      VAL  31 -10.244  -1.433  -1.095
  226   2HG2  VAL  31          HG22      VAL  31  -9.158  -0.064  -0.991
  227   3HG2  VAL  31          HG23      VAL  31 -10.031  -0.599   0.421
  228    H    GLN  32           HN       GLN  32  -6.913   1.019   1.766
  229    HA   GLN  32           HA       GLN  32  -7.948   0.484   4.393
  230   1HB   GLN  32          HB2       GLN  32  -6.019   2.084   3.760
  231   2HB   GLN  32          HB1       GLN  32  -7.244   3.213   3.232
  232   1HG   GLN  32          HG2       GLN  32  -6.573   3.822   5.408
  233   2HG   GLN  32          HG1       GLN  32  -8.219   3.224   5.522
  234   1HE2  GLN  32          HE21      GLN  32  -6.089   3.433   7.575
  235   2HE2  GLN  32          HE22      GLN  32  -5.909   1.825   8.181
  236    H    VAL  33           HN       VAL  33  -8.798   2.519   1.703
  237    HA   VAL  33           HA       VAL  33 -11.455   3.126   2.772
  238    HB   VAL  33           HB       VAL  33 -11.808   4.324   0.622
  239   1HG1  VAL  33          HG11      VAL  33 -10.226   6.101   1.017
  240   2HG1  VAL  33          HG12      VAL  33  -9.215   5.048   2.003
  241   3HG1  VAL  33          HG13      VAL  33 -10.843   5.491   2.548
  242   1HG2  VAL  33          HG21      VAL  33 -10.601   3.257  -1.029
  243   2HG2  VAL  33          HG22      VAL  33  -9.146   3.095  -0.075
  244   3HG2  VAL  33          HG23      VAL  33  -9.605   4.657  -0.723
  245   1HG   HSL  34          HG1       HSL  34 -12.712  -3.695   1.874
  246   2HG   HSL  34          HG2       HSL  34 -12.951  -3.122   3.538
  247    H    HSL  34           HN       HSL  34 -11.632   0.738   2.989
  248    HA   HSL  34           HA       HSL  34 -12.303  -0.812   0.397
  249   1HB   HSL  34          HB1       HSL  34 -11.079  -2.165   1.744
  250   2HB   HSL  34          HB2       HSL  34 -11.617  -1.354   3.219
  Start of MODEL   15
    1   1H    ALA   1           HT1      ALA   1   0.493   0.563 -13.922
    2   2H    ALA   1           HT2      ALA   1   1.799   1.287 -13.128
    3   3H    ALA   1           HT3      ALA   1   0.259   2.014 -13.091
    4    HA   ALA   1           HA       ALA   1  -0.640   0.124 -11.883
    5   1HB   ALA   1          HB1       ALA   1   0.845  -1.619 -11.010
    6   2HB   ALA   1          HB2       ALA   1   2.220  -0.878 -11.855
    7   3HB   ALA   1          HB3       ALA   1   0.876  -1.552 -12.769
    8    H    CYS   2           HN       CYS   2  -1.209   1.344 -10.279
    9    HA   CYS   2           HA       CYS   2   0.798   2.678  -8.568
   10   1HB   CYS   2          HB2       CYS   2  -1.029   3.791  -7.545
   11   2HB   CYS   2          HB1       CYS   2  -1.424   3.736  -9.254
   12    H    GLY   3           HN       GLY   3   0.021   2.426  -6.162
   13   1HA   GLY   3          HA2       GLY   3   0.267  -0.328  -5.442
   14   2HA   GLY   3          HA1       GLY   3   0.186   0.990  -4.364
   15    H    ILE   4           HN       ILE   4  -1.444  -1.584  -5.537
   16    HA   ILE   4           HA       ILE   4  -4.051  -0.600  -4.631
   17    HB   ILE   4           HB       ILE   4  -5.123  -2.301  -6.106
   18   1HG1  ILE   4          HG12      ILE   4  -2.933  -3.688  -6.390
   19   2HG1  ILE   4          HG11      ILE   4  -3.965  -3.427  -7.776
   20   1HG2  ILE   4          HG21      ILE   4  -5.076   0.027  -6.714
   21   2HG2  ILE   4          HG22      ILE   4  -4.978  -1.022  -8.120
   22   3HG2  ILE   4          HG23      ILE   4  -3.534  -0.204  -7.534
   23   1HD1  ILE   4          HD11      ILE   4  -1.505  -1.801  -7.237
   24   2HD1  ILE   4          HD12      ILE   4  -2.501  -1.773  -8.677
   25   3HD1  ILE   4          HD13      ILE   4  -1.587  -3.208  -8.256
   26    H    LEU   5           HN       LEU   5  -5.468  -2.579  -4.298
   27    HA   LEU   5           HA       LEU   5  -4.950  -3.282  -1.735
   28   1HB   LEU   5          HB2       LEU   5  -6.900  -4.720  -1.829
   29   2HB   LEU   5          HB1       LEU   5  -7.161  -3.217  -2.686
   30    HG   LEU   5           HG       LEU   5  -6.343  -5.650  -4.257
   31   1HD1  LEU   5          HD11      LEU   5  -8.201  -6.389  -2.867
   32   2HD1  LEU   5          HD12      LEU   5  -8.620  -6.261  -4.570
   33   3HD1  LEU   5          HD13      LEU   5  -9.160  -5.014  -3.446
   34   1HD2  LEU   5          HD21      LEU   5  -7.722  -3.044  -4.831
   35   2HD2  LEU   5          HD22      LEU   5  -7.947  -4.449  -5.871
   36   3HD2  LEU   5          HD23      LEU   5  -6.342  -3.805  -5.627
   37    H    HIS   6           HN       HIS   6  -3.542  -4.825  -4.394
   38    HA   HIS   6           HA       HIS   6  -2.365  -6.793  -2.565
   39   1HB   HIS   6          HB2       HIS   6  -2.719  -8.625  -4.214
   40   2HB   HIS   6          HB1       HIS   6  -4.212  -8.010  -3.526
   41    HD1  HIS   6           HD1      HIS   6  -2.221  -7.853  -6.748
   42    HD2  HIS   6           HD2      HIS   6  -6.071  -7.230  -5.341
   43    HE1  HIS   6           HE1      HIS   6  -3.628  -7.453  -8.780
   44    HE2  HIS   6           HE2      HIS   6  -5.923  -6.912  -7.897
   45    H    ASP   7           HN       ASP   7  -1.382  -4.419  -3.561
   46    HA   ASP   7           HA       ASP   7   0.625  -5.296  -5.556
   47   1HB   ASP   7          HB2       ASP   7  -0.326  -3.143  -5.998
   48   2HB   ASP   7          HB1       ASP   7   0.049  -2.546  -4.382
   49    H    ASN   8           HN       ASN   8   2.131  -6.420  -4.698
   50    HA   ASN   8           HA       ASN   8   2.950  -6.402  -2.022
   51   1HB   ASN   8          HB2       ASN   8   4.319  -7.372  -4.501
   52   2HB   ASN   8          HB1       ASN   8   5.044  -7.557  -2.900
   53   1HD2  ASN   8          HD21      ASN   8   2.429  -8.548  -5.011
   54   2HD2  ASN   8          HD22      ASN   8   1.965  -9.904  -4.049
   55    H    CYS   9           HN       CYS   9   4.089  -5.133  -0.883
   56    HA   CYS   9           HA       CYS   9   5.841  -3.133  -1.858
   57   1HB   CYS   9          HB2       CYS   9   3.774  -2.176  -2.736
   58   2HB   CYS   9          HB1       CYS   9   2.980  -2.325  -1.175
   59    H    VAL  10           HN       VAL  10   6.892  -2.199  -0.284
   60    HA   VAL  10           HA       VAL  10   6.424  -3.238   2.457
   61    HB   VAL  10           HB       VAL  10   8.716  -2.337   2.930
   62   1HG1  VAL  10          HG11      VAL  10   8.370  -4.680   2.328
   63   2HG1  VAL  10          HG12      VAL  10   9.905  -4.047   1.746
   64   3HG1  VAL  10          HG13      VAL  10   8.571  -4.267   0.616
   65   1HG2  VAL  10          HG21      VAL  10  10.124  -1.634   1.127
   66   2HG2  VAL  10          HG22      VAL  10   8.739  -0.580   1.150
   67   3HG2  VAL  10          HG23      VAL  10   8.853  -1.849  -0.061
   68    H    TYR  11           HN       TYR  11   7.262  -1.630   4.086
   69    HA   TYR  11           HA       TYR  11   5.394   0.440   4.324
   70   1HB   TYR  11          HB2       TYR  11   6.718   1.056   6.400
   71   2HB   TYR  11          HB1       TYR  11   6.165  -0.607   6.299
   72    HD1  TYR  11           HD1      TYR  11   9.052   1.504   6.728
   73    HD2  TYR  11           HD2      TYR  11   7.814  -2.417   5.534
   74    HE1  TYR  11           HE1      TYR  11  11.330   0.665   7.060
   75    HE2  TYR  11           HE2      TYR  11  10.087  -3.229   5.852
   76    HH   TYR  11           HH       TYR  11  12.547  -1.954   5.800
   77    H    VAL  12           HN       VAL  12   5.777   1.465   2.303
   78    HA   VAL  12           HA       VAL  12   7.799   3.644   2.572
   79    HB   VAL  12           HB       VAL  12   7.845   3.788   0.088
   80   1HG1  VAL  12          HG11      VAL  12   9.685   2.738   1.156
   81   2HG1  VAL  12          HG12      VAL  12   9.261   1.771  -0.251
   82   3HG1  VAL  12          HG13      VAL  12   8.801   1.227   1.356
   83   1HG2  VAL  12          HG21      VAL  12   7.132   1.819  -1.207
   84   2HG2  VAL  12          HG22      VAL  12   5.759   2.638  -0.507
   85   3HG2  VAL  12          HG23      VAL  12   6.368   1.155   0.213
   86    HA   PRO  13           HA       PRO  13   3.538   5.429   2.536
   87   1HB   PRO  13          HB2       PRO  13   4.419   6.928   4.891
   88   2HB   PRO  13          HB1       PRO  13   3.096   5.776   4.706
   89   1HG   PRO  13          HG2       PRO  13   5.329   5.279   6.171
   90   2HG   PRO  13          HG1       PRO  13   4.361   4.008   5.400
   91   1HD   PRO  13          HD2       PRO  13   6.946   5.244   4.499
   92   2HD   PRO  13          HD1       PRO  13   6.384   3.587   4.518
   93    H    ALA  14           HN       ALA  14   6.675   6.837   3.305
   94    HA   ALA  14           HA       ALA  14   6.139   9.507   2.621
   95   1HB   ALA  14          HB1       ALA  14   8.019   8.799   3.990
   96   2HB   ALA  14          HB2       ALA  14   8.565   9.774   2.631
   97   3HB   ALA  14          HB3       ALA  14   8.775   8.011   2.610
   98    H    GLN  15           HN       GLN  15   6.689   6.692   0.775
   99    HA   GLN  15           HA       GLN  15   6.697   8.280  -1.737
  100   1HB   GLN  15          HB2       GLN  15   8.121   5.654  -1.149
  101   2HB   GLN  15          HB1       GLN  15   8.110   6.522  -2.700
  102   1HG   GLN  15          HG2       GLN  15   9.389   8.326  -1.769
  103   2HG   GLN  15          HG1       GLN  15   9.293   7.636  -0.144
  104   1HE2  GLN  15          HE21      GLN  15  10.468   5.757   0.353
  105   2HE2  GLN  15          HE22      GLN  15  11.811   5.297  -0.633
  106    H    ASN  16           HN       ASN  16   4.458   7.474  -0.348
  107    HA   ASN  16           HA       ASN  16   3.379   4.986  -0.820
  108   1HB   ASN  16          HB2       ASN  16   2.335   6.620   0.629
  109   2HB   ASN  16          HB1       ASN  16   1.933   7.657  -0.731
  110   1HD2  ASN  16          HD21      ASN  16   1.061   4.854   1.117
  111   2HD2  ASN  16          HD22      ASN  16  -0.408   4.529   0.269
  112    HA   PRO  17           HA       PRO  17   3.159   5.324  -5.344
  113   1HB   PRO  17          HB2       PRO  17   3.468   2.732  -5.834
  114   2HB   PRO  17          HB1       PRO  17   4.793   3.664  -5.127
  115   1HG   PRO  17          HG2       PRO  17   2.821   1.880  -3.703
  116   2HG   PRO  17          HG1       PRO  17   4.590   1.920  -3.599
  117   1HD   PRO  17          HD2       PRO  17   2.946   3.180  -1.837
  118   2HD   PRO  17          HD1       PRO  17   4.617   3.686  -2.180
  119    H    CYS  18           HN       CYS  18   1.098   4.258  -3.009
  120    HA   CYS  18           HA       CYS  18  -0.669   2.661  -4.496
  121   1HB   CYS  18          HB2       CYS  18  -0.831   3.801  -1.752
  122   2HB   CYS  18          HB1       CYS  18  -1.985   2.670  -2.424
  123    H    CYS  19           HN       CYS  19  -2.636   3.040  -5.206
  124    HA   CYS  19           HA       CYS  19  -3.358   5.706  -5.884
  125   1HB   CYS  19          HB2       CYS  19  -4.871   3.093  -5.821
  126   2HB   CYS  19          HB1       CYS  19  -5.695   4.605  -6.218
  127    H    ARG  20           HN       ARG  20  -4.704   7.080  -4.957
  128    HA   ARG  20           HA       ARG  20  -4.030   7.349  -2.224
  129   1HB   ARG  20          HB2       ARG  20  -6.078   8.924  -3.829
  130   2HB   ARG  20          HB1       ARG  20  -5.376   9.435  -2.287
  131   1HG   ARG  20          HG2       ARG  20  -4.038   9.171  -4.973
  132   2HG   ARG  20          HG1       ARG  20  -4.227  10.600  -3.956
  133   1HD   ARG  20          HD2       ARG  20  -2.697   9.687  -2.302
  134   2HD   ARG  20          HD1       ARG  20  -2.567   8.183  -3.222
  135    HE   ARG  20           HE       ARG  20  -1.757  10.650  -4.557
  136   1HH1  ARG  20          HH11      ARG  20  -0.790   7.647  -2.953
  137   2HH1  ARG  20          HH12      ARG  20   0.819   7.781  -3.509
  138   1HH2  ARG  20          HH21      ARG  20   0.375  10.750  -5.260
  139   2HH2  ARG  20          HH22      ARG  20   1.505   9.519  -4.802
  140    H    GLY  21           HN       GLY  21  -4.686   6.511  -0.586
  141   1HA   GLY  21          HA2       GLY  21  -6.674   6.354   0.898
  142   2HA   GLY  21          HA1       GLY  21  -7.496   5.503  -0.402
  143    H    LEU  22           HN       LEU  22  -4.799   4.284  -1.101
  144    HA   LEU  22           HA       LEU  22  -4.965   2.074   0.872
  145   1HB   LEU  22          HB2       LEU  22  -3.884   2.155  -1.966
  146   2HB   LEU  22          HB1       LEU  22  -3.799   0.777  -0.881
  147    HG   LEU  22           HG       LEU  22  -6.290   0.747  -0.838
  148   1HD1  LEU  22          HD11      LEU  22  -5.994   2.779  -3.015
  149   2HD1  LEU  22          HD12      LEU  22  -6.896   2.942  -1.511
  150   3HD1  LEU  22          HD13      LEU  22  -7.435   1.826  -2.727
  151   1HD2  LEU  22          HD21      LEU  22  -5.119   0.414  -3.550
  152   2HD2  LEU  22          HD22      LEU  22  -6.498  -0.427  -2.865
  153   3HD2  LEU  22          HD23      LEU  22  -4.888  -0.749  -2.236
  154    H    GLN  23           HN       GLN  23  -3.182   1.176   1.722
  155    HA   GLN  23           HA       GLN  23  -0.638   2.670   1.479
  156   1HB   GLN  23          HB2       GLN  23  -1.645   3.666   3.411
  157   2HB   GLN  23          HB1       GLN  23  -2.171   2.112   4.036
  158   1HG   GLN  23          HG2       GLN  23  -0.266   3.054   5.247
  159   2HG   GLN  23          HG1       GLN  23   0.106   1.477   4.580
  160   1HE2  GLN  23          HE21      GLN  23   2.322   1.761   4.504
  161   2HE2  GLN  23          HE22      GLN  23   3.075   2.930   3.479
  162    H    CYS  24           HN       CYS  24   1.077   1.534   1.550
  163    HA   CYS  24           HA       CYS  24   1.053  -1.260   1.275
  164   1HB   CYS  24          HB2       CYS  24   3.374   0.535   1.883
  165   2HB   CYS  24          HB1       CYS  24   3.461  -1.131   1.289
  166    H    ARG  25           HN       ARG  25   0.400  -2.517   2.787
  167    HA   ARG  25           HA       ARG  25   1.470  -2.299   5.516
  168   1HB   ARG  25          HB2       ARG  25  -0.837  -2.989   5.248
  169   2HB   ARG  25          HB1       ARG  25  -0.384  -4.302   4.154
  170   1HG   ARG  25          HG2       ARG  25   0.816  -5.418   6.027
  171   2HG   ARG  25          HG1       ARG  25   0.354  -4.085   7.099
  172   1HD   ARG  25          HD2       ARG  25  -1.966  -4.651   6.823
  173   2HD   ARG  25          HD1       ARG  25  -1.557  -5.888   5.622
  174    HE   ARG  25           HE       ARG  25  -0.150  -6.770   7.705
  175   1HH1  ARG  25          HH11      ARG  25  -3.521  -5.740   7.467
  176   2HH1  ARG  25          HH12      ARG  25  -4.013  -6.763   8.754
  177   1HH2  ARG  25          HH21      ARG  25  -0.851  -8.096   9.387
  178   2HH2  ARG  25          HH22      ARG  25  -2.521  -8.107   9.847
  179    H    TYR  26           HN       TYR  26   2.581  -4.049   6.420
  180    HA   TYR  26           HA       TYR  26   4.946  -4.711   5.197
  181   1HB   TYR  26          HB2       TYR  26   3.508  -6.201   7.417
  182   2HB   TYR  26          HB1       TYR  26   5.202  -6.459   6.981
  183    HD1  TYR  26           HD1      TYR  26   6.912  -4.908   7.657
  184    HD2  TYR  26           HD2      TYR  26   2.791  -4.049   8.442
  185    HE1  TYR  26           HE1      TYR  26   7.565  -3.105   9.177
  186    HE2  TYR  26           HE2      TYR  26   3.460  -2.247   9.949
  187    HH   TYR  26           HH       TYR  26   6.260  -0.805  10.004
  188    H    GLY  27           HN       GLY  27   4.473  -5.329   3.129
  189   1HA   GLY  27          HA2       GLY  27   4.918  -7.642   2.147
  190   2HA   GLY  27          HA1       GLY  27   3.298  -8.034   2.711
  191    H    LYS  28           HN       LYS  28   1.893  -5.786   2.170
  192    HA   LYS  28           HA       LYS  28   2.273  -4.920  -0.555
  193   1HB   LYS  28          HB2       LYS  28   0.271  -5.923  -1.506
  194   2HB   LYS  28          HB1       LYS  28   1.374  -7.172  -0.992
  195   1HG   LYS  28          HG2       LYS  28  -0.899  -6.276   0.804
  196   2HG   LYS  28          HG1       LYS  28  -1.154  -7.343  -0.576
  197   1HD   LYS  28          HD2       LYS  28   0.618  -8.871   0.341
  198   2HD   LYS  28          HD1       LYS  28   0.670  -7.839   1.784
  199   1HE   LYS  28          HE2       LYS  28  -1.568  -8.375   2.348
  200   2HE   LYS  28          HE1       LYS  28  -1.867  -9.143   0.779
  201   1HZ   LYS  28          HZ1       LYS  28   0.005 -10.135   2.875
  202   2HZ   LYS  28          HZ2       LYS  28  -0.273 -10.870   1.363
  203   3HZ   LYS  28          HZ3       LYS  28  -1.520 -10.755   2.495
  204    H    CYS  29           HN       CYS  29   0.579  -3.653  -1.348
  205    HA   CYS  29           HA       CYS  29  -0.292  -1.779   0.618
  206   1HB   CYS  29          HB2       CYS  29   0.602  -1.138  -1.595
  207   2HB   CYS  29          HB1       CYS  29  -0.812  -1.830  -2.353
  208    H    LEU  30           HN       LEU  30  -2.148  -1.555   1.501
  209    HA   LEU  30           HA       LEU  30  -4.448  -3.129   0.463
  210   1HB   LEU  30          HB2       LEU  30  -3.567  -2.769   3.353
  211   2HB   LEU  30          HB1       LEU  30  -5.085  -3.516   2.847
  212    HG   LEU  30           HG       LEU  30  -2.305  -4.592   2.284
  213   1HD1  LEU  30          HD11      LEU  30  -3.147  -4.711   4.657
  214   2HD1  LEU  30          HD12      LEU  30  -2.765  -6.244   3.883
  215   3HD1  LEU  30          HD13      LEU  30  -4.446  -5.750   4.066
  216   1HD2  LEU  30          HD21      LEU  30  -3.742  -5.238   0.474
  217   2HD2  LEU  30          HD22      LEU  30  -5.054  -5.658   1.576
  218   3HD2  LEU  30          HD23      LEU  30  -3.573  -6.608   1.547
  219    H    VAL  31           HN       VAL  31  -6.428  -2.403   0.990
  220    HA   VAL  31           HA       VAL  31  -6.730   0.471   0.859
  221    HB   VAL  31           HB       VAL  31  -8.890  -1.616   1.296
  222   1HG1  VAL  31          HG11      VAL  31  -8.954   1.268   0.357
  223   2HG1  VAL  31          HG12      VAL  31  -9.743   0.567   1.780
  224   3HG1  VAL  31          HG13      VAL  31 -10.290   0.137   0.173
  225   1HG2  VAL  31          HG21      VAL  31  -9.212  -1.745  -1.023
  226   2HG2  VAL  31          HG22      VAL  31  -7.502  -2.053  -0.775
  227   3HG2  VAL  31          HG23      VAL  31  -8.051  -0.482  -1.366
  228    H    GLN  32           HN       GLN  32  -6.305   1.619   2.518
  229    HA   GLN  32           HA       GLN  32  -6.318   0.602   5.191
  230   1HB   GLN  32          HB2       GLN  32  -4.817   2.392   4.363
  231   2HB   GLN  32          HB1       GLN  32  -6.199   3.480   4.240
  232   1HG   GLN  32          HG2       GLN  32  -6.528   3.138   6.759
  233   2HG   GLN  32          HG1       GLN  32  -5.008   2.239   6.741
  234   1HE2  GLN  32          HE21      GLN  32  -5.629   5.125   4.751
  235   2HE2  GLN  32          HE22      GLN  32  -4.511   6.084   5.616
  236    H    VAL  33           HN       VAL  33  -7.884   0.447   6.519
  237    HA   VAL  33           HA       VAL  33 -10.535   1.510   5.906
  238    HB   VAL  33           HB       VAL  33 -10.364  -0.753   6.787
  239   1HG1  VAL  33          HG11      VAL  33  -9.600  -1.310   8.931
  240   2HG1  VAL  33          HG12      VAL  33  -9.407   0.355   9.428
  241   3HG1  VAL  33          HG13      VAL  33  -8.317  -0.345   8.231
  242   1HG2  VAL  33          HG21      VAL  33 -12.114  -0.650   8.353
  243   2HG2  VAL  33          HG22      VAL  33 -12.366   0.724   7.286
  244   3HG2  VAL  33          HG23      VAL  33 -11.683   0.961   8.903
  245   1HG   HSL  34          HG1       HSL  34  -9.547   7.953   5.954
  246   2HG   HSL  34          HG2       HSL  34  -8.895   7.945   7.606
  247    H    HSL  34           HN       HSL  34  -9.710   3.646   5.912
  248    HA   HSL  34           HA       HSL  34  -9.258   4.771   8.281
  249   1HB   HSL  34          HB1       HSL  34  -8.845   5.863   5.568
  250   2HB   HSL  34          HB2       HSL  34  -7.862   6.042   7.026
  Start of MODEL   16
    1   1H    ALA   1           HT1      ALA   1   0.137   3.256 -13.224
    2   2H    ALA   1           HT2      ALA   1  -1.363   3.561 -12.474
    3   3H    ALA   1           HT3      ALA   1  -1.296   2.655 -13.894
    4    HA   ALA   1           HA       ALA   1  -1.669   1.204 -12.046
    5   1HB   ALA   1          HB1       ALA   1   1.110   0.900 -13.214
    6   2HB   ALA   1          HB2       ALA   1  -0.402   0.383 -13.950
    7   3HB   ALA   1          HB3       ALA   1   0.144  -0.386 -12.464
    8    H    CYS   2           HN       CYS   2  -1.835   2.301 -10.199
    9    HA   CYS   2           HA       CYS   2   0.521   3.079  -8.626
   10   1HB   CYS   2          HB2       CYS   2  -1.103   3.938  -7.041
   11   2HB   CYS   2          HB1       CYS   2  -1.596   4.411  -8.663
   12    H    GLY   3           HN       GLY   3   0.467   2.382  -6.314
   13   1HA   GLY   3          HA2       GLY   3   0.423  -0.358  -5.883
   14   2HA   GLY   3          HA1       GLY   3   0.376   0.844  -4.642
   15    H    ILE   4           HN       ILE   4  -1.152  -1.721  -5.581
   16    HA   ILE   4           HA       ILE   4  -3.918  -0.727  -5.113
   17    HB   ILE   4           HB       ILE   4  -4.689  -2.672  -6.488
   18   1HG1  ILE   4          HG12      ILE   4  -1.772  -2.837  -7.316
   19   2HG1  ILE   4          HG11      ILE   4  -2.598  -4.028  -6.291
   20   1HG2  ILE   4          HG21      ILE   4  -2.937  -0.701  -7.979
   21   2HG2  ILE   4          HG22      ILE   4  -4.570  -0.388  -7.380
   22   3HG2  ILE   4          HG23      ILE   4  -4.314  -1.613  -8.608
   23   1HD1  ILE   4          HD11      ILE   4  -3.189  -3.407  -9.161
   24   2HD1  ILE   4          HD12      ILE   4  -4.127  -4.512  -8.142
   25   3HD1  ILE   4          HD13      ILE   4  -2.433  -4.846  -8.488
   26    H    LEU   5           HN       LEU   5  -5.361  -2.527  -4.487
   27    HA   LEU   5           HA       LEU   5  -4.581  -2.965  -1.792
   28   1HB   LEU   5          HB2       LEU   5  -6.821  -3.771  -1.450
   29   2HB   LEU   5          HB1       LEU   5  -6.805  -2.347  -2.465
   30    HG   LEU   5           HG       LEU   5  -6.807  -4.262  -4.400
   31   1HD1  LEU   5          HD11      LEU   5  -6.985  -6.156  -2.895
   32   2HD1  LEU   5          HD12      LEU   5  -8.499  -5.932  -3.738
   33   3HD1  LEU   5          HD13      LEU   5  -8.355  -5.413  -2.064
   34   1HD2  LEU   5          HD21      LEU   5  -9.259  -3.142  -3.048
   35   2HD2  LEU   5          HD22      LEU   5  -9.143  -3.800  -4.678
   36   3HD2  LEU   5          HD23      LEU   5  -8.284  -2.318  -4.278
   37    H    HIS   6           HN       HIS   6  -3.846  -4.772  -4.444
   38    HA   HIS   6           HA       HIS   6  -2.979  -6.963  -2.714
   39   1HB   HIS   6          HB2       HIS   6  -3.771  -8.639  -4.421
   40   2HB   HIS   6          HB1       HIS   6  -5.050  -7.826  -3.538
   41    HD1  HIS   6           HD1      HIS   6  -3.776  -8.383  -6.970
   42    HD2  HIS   6           HD2      HIS   6  -6.605  -6.070  -5.076
   43    HE1  HIS   6           HE1      HIS   6  -5.255  -7.479  -8.786
   44    HE2  HIS   6           HE2      HIS   6  -6.863  -5.934  -7.618
   45    H    ASP   7           HN       ASP   7  -1.538  -4.895  -3.550
   46    HA   ASP   7           HA       ASP   7   0.311  -6.286  -5.437
   47   1HB   ASP   7          HB2       ASP   7  -0.710  -4.100  -6.213
   48   2HB   ASP   7          HB1       ASP   7   0.249  -3.258  -5.039
   49    H    ASN   8           HN       ASN   8   2.180  -6.763  -4.697
   50    HA   ASN   8           HA       ASN   8   2.717  -6.425  -1.896
   51   1HB   ASN   8          HB2       ASN   8   4.384  -7.675  -4.070
   52   2HB   ASN   8          HB1       ASN   8   4.784  -7.717  -2.346
   53   1HD2  ASN   8          HD21      ASN   8   4.667  -9.885  -2.051
   54   2HD2  ASN   8          HD22      ASN   8   3.201 -10.776  -2.242
   55    H    CYS   9           HN       CYS   9   4.096  -5.168  -0.897
   56    HA   CYS   9           HA       CYS   9   6.103  -3.605  -2.166
   57   1HB   CYS   9          HB2       CYS   9   5.070  -1.379  -1.875
   58   2HB   CYS   9          HB1       CYS   9   4.175  -2.351  -3.024
   59    H    VAL  10           HN       VAL  10   6.848  -1.849  -0.676
   60    HA   VAL  10           HA       VAL  10   7.026  -3.047   2.034
   61    HB   VAL  10           HB       VAL  10   9.053  -1.699   2.318
   62   1HG1  VAL  10          HG11      VAL  10   9.242  -3.953   1.382
   63   2HG1  VAL  10          HG12      VAL  10  10.475  -2.862   0.761
   64   3HG1  VAL  10          HG13      VAL  10   9.098  -3.286  -0.254
   65   1HG2  VAL  10          HG21      VAL  10   8.610   0.256   0.989
   66   2HG2  VAL  10          HG22      VAL  10   8.464  -0.701  -0.489
   67   3HG2  VAL  10          HG23      VAL  10  10.011  -0.552   0.321
   68    H    TYR  11           HN       TYR  11   7.056  -1.789   3.827
   69    HA   TYR  11           HA       TYR  11   4.858   0.089   3.883
   70   1HB   TYR  11          HB2       TYR  11   5.106  -1.559   5.638
   71   2HB   TYR  11          HB1       TYR  11   6.699  -0.948   6.063
   72    HD1  TYR  11           HD1      TYR  11   6.913   0.861   7.610
   73    HD2  TYR  11           HD2      TYR  11   3.073  -0.069   5.999
   74    HE1  TYR  11           HE1      TYR  11   5.858   2.390   9.201
   75    HE2  TYR  11           HE2      TYR  11   2.030   1.467   7.572
   76    HH   TYR  11           HH       TYR  11   2.834   2.373  10.067
   77    H    VAL  12           HN       VAL  12   5.644   1.712   2.595
   78    HA   VAL  12           HA       VAL  12   7.039   3.751   4.199
   79    HB   VAL  12           HB       VAL  12   8.829   2.759   2.851
   80   1HG1  VAL  12          HG11      VAL  12   7.287   2.017   0.949
   81   2HG1  VAL  12          HG12      VAL  12   8.866   2.662   0.530
   82   3HG1  VAL  12          HG13      VAL  12   7.445   3.668   0.333
   83   1HG2  VAL  12          HG21      VAL  12   8.165   5.478   1.705
   84   2HG2  VAL  12          HG22      VAL  12   9.734   4.753   2.004
   85   3HG2  VAL  12          HG23      VAL  12   8.735   5.239   3.365
   86    HA   PRO  13           HA       PRO  13   3.073   4.906   2.068
   87   1HB   PRO  13          HB2       PRO  13   2.468   6.086   4.719
   88   2HB   PRO  13          HB1       PRO  13   1.546   4.955   3.724
   89   1HG   PRO  13          HG2       PRO  13   2.773   4.204   5.984
   90   2HG   PRO  13          HG1       PRO  13   2.615   3.108   4.597
   91   1HD   PRO  13          HD2       PRO  13   4.988   4.730   5.492
   92   2HD   PRO  13          HD1       PRO  13   4.864   3.061   4.930
   93    H    ALA  14           HN       ALA  14   5.452   6.567   3.946
   94    HA   ALA  14           HA       ALA  14   4.712   9.208   3.695
   95   1HB   ALA  14          HB1       ALA  14   7.072   9.737   4.035
   96   2HB   ALA  14          HB2       ALA  14   7.519   8.065   3.641
   97   3HB   ALA  14          HB3       ALA  14   6.551   8.412   5.070
   98    H    GLN  15           HN       GLN  15   6.193   7.037   1.416
   99    HA   GLN  15           HA       GLN  15   5.680   9.034  -0.737
  100   1HB   GLN  15          HB2       GLN  15   8.115   8.655  -0.234
  101   2HB   GLN  15          HB1       GLN  15   7.912   6.949  -0.643
  102   1HG   GLN  15          HG2       GLN  15   7.164   7.705  -2.959
  103   2HG   GLN  15          HG1       GLN  15   7.564   9.349  -2.465
  104   1HE2  GLN  15          HE21      GLN  15   8.816   6.179  -3.250
  105   2HE2  GLN  15          HE22      GLN  15  10.445   6.709  -3.471
  106    H    ASN  16           HN       ASN  16   3.715   7.680   0.014
  107    HA   ASN  16           HA       ASN  16   3.458   4.972  -0.558
  108   1HB   ASN  16          HB2       ASN  16   1.919   6.266   0.832
  109   2HB   ASN  16          HB1       ASN  16   1.299   7.102  -0.554
  110   1HD2  ASN  16          HD21      ASN  16  -0.778   6.382  -0.132
  111   2HD2  ASN  16          HD22      ASN  16  -1.224   4.740  -0.369
  112    HA   PRO  17           HA       PRO  17   3.380   5.251  -5.064
  113   1HB   PRO  17          HB2       PRO  17   3.693   2.620  -5.492
  114   2HB   PRO  17          HB1       PRO  17   5.000   3.607  -4.829
  115   1HG   PRO  17          HG2       PRO  17   3.059   1.855  -3.331
  116   2HG   PRO  17          HG1       PRO  17   4.831   1.917  -3.232
  117   1HD   PRO  17          HD2       PRO  17   3.238   3.181  -1.491
  118   2HD   PRO  17          HD1       PRO  17   4.845   3.813  -1.937
  119    H    CYS  18           HN       CYS  18   1.266   3.839  -2.838
  120    HA   CYS  18           HA       CYS  18  -0.568   2.656  -4.617
  121   1HB   CYS  18          HB2       CYS  18  -0.881   3.373  -1.735
  122   2HB   CYS  18          HB1       CYS  18  -1.941   2.370  -2.660
  123    H    CYS  19           HN       CYS  19  -2.690   3.174  -4.921
  124    HA   CYS  19           HA       CYS  19  -3.174   5.949  -5.484
  125   1HB   CYS  19          HB2       CYS  19  -4.914   3.484  -5.436
  126   2HB   CYS  19          HB1       CYS  19  -5.638   5.079  -5.662
  127    H    ARG  20           HN       ARG  20  -4.421   7.368  -4.485
  128    HA   ARG  20           HA       ARG  20  -4.013   7.512  -1.683
  129   1HB   ARG  20          HB2       ARG  20  -5.797   9.152  -3.511
  130   2HB   ARG  20          HB1       ARG  20  -5.433   9.571  -1.820
  131   1HG   ARG  20          HG2       ARG  20  -3.094   9.816  -2.318
  132   2HG   ARG  20          HG1       ARG  20  -3.325   9.226  -3.970
  133   1HD   ARG  20          HD2       ARG  20  -4.820  11.166  -4.375
  134   2HD   ARG  20          HD1       ARG  20  -4.373  11.793  -2.779
  135    HE   ARG  20           HE       ARG  20  -1.956  11.537  -3.765
  136   1HH1  ARG  20          HH11      ARG  20  -4.832  12.799  -5.360
  137   2HH1  ARG  20          HH12      ARG  20  -3.919  13.761  -6.446
  138   1HH2  ARG  20          HH21      ARG  20  -0.790  12.822  -5.216
  139   2HH2  ARG  20          HH22      ARG  20  -1.630  13.797  -6.376
  140    H    GLY  21           HN       GLY  21  -4.913   6.469  -0.228
  141   1HA   GLY  21          HA2       GLY  21  -7.108   6.091   0.909
  142   2HA   GLY  21          HA1       GLY  21  -7.665   5.363  -0.594
  143    H    LEU  22           HN       LEU  22  -4.896   4.304  -1.057
  144    HA   LEU  22           HA       LEU  22  -5.099   1.942   0.723
  145   1HB   LEU  22          HB2       LEU  22  -3.736   2.220  -1.970
  146   2HB   LEU  22          HB1       LEU  22  -3.861   0.761  -1.000
  147    HG   LEU  22           HG       LEU  22  -6.373   1.014  -1.307
  148   1HD1  LEU  22          HD11      LEU  22  -5.480   2.936  -3.380
  149   2HD1  LEU  22          HD12      LEU  22  -6.638   3.202  -2.081
  150   3HD1  LEU  22          HD13      LEU  22  -7.036   2.126  -3.389
  151   1HD2  LEU  22          HD21      LEU  22  -6.352  -0.221  -3.312
  152   2HD2  LEU  22          HD22      LEU  22  -4.901  -0.666  -2.424
  153   3HD2  LEU  22          HD23      LEU  22  -4.799   0.465  -3.776
  154    H    GLN  23           HN       GLN  23  -3.283   1.019   1.545
  155    HA   GLN  23           HA       GLN  23  -0.913   2.797   1.794
  156   1HB   GLN  23          HB2       GLN  23  -2.332   1.375   4.076
  157   2HB   GLN  23          HB1       GLN  23  -0.847   2.344   4.197
  158   1HG   GLN  23          HG2       GLN  23  -2.067   4.355   3.622
  159   2HG   GLN  23          HG1       GLN  23  -3.551   3.429   3.366
  160   1HE2  GLN  23          HE21      GLN  23  -3.045   5.631   5.222
  161   2HE2  GLN  23          HE22      GLN  23  -3.400   4.975   6.780
  162    H    CYS  24           HN       CYS  24   0.875   1.850   1.475
  163    HA   CYS  24           HA       CYS  24   1.153  -0.972   1.126
  164   1HB   CYS  24          HB2       CYS  24   3.023   1.330   1.157
  165   2HB   CYS  24          HB1       CYS  24   3.681  -0.289   1.334
  166    H    ARG  25           HN       ARG  25   0.730  -2.230   2.687
  167    HA   ARG  25           HA       ARG  25   1.923  -1.725   5.340
  168   1HB   ARG  25          HB2       ARG  25  -0.575  -2.279   4.979
  169   2HB   ARG  25          HB1       ARG  25  -0.067  -3.897   4.559
  170   1HG   ARG  25          HG2       ARG  25  -0.766  -3.818   6.850
  171   2HG   ARG  25          HG1       ARG  25   0.949  -4.179   6.798
  172   1HD   ARG  25          HD2       ARG  25   0.385  -2.586   8.544
  173   2HD   ARG  25          HD1       ARG  25   1.468  -1.837   7.376
  174    HE   ARG  25           HE       ARG  25  -1.237  -1.263   6.664
  175   1HH1  ARG  25          HH11      ARG  25   1.031  -0.504   9.243
  176   2HH1  ARG  25          HH12      ARG  25   0.337   1.046   9.514
  177   1HH2  ARG  25          HH21      ARG  25  -2.101   0.772   7.034
  178   2HH2  ARG  25          HH22      ARG  25  -1.436   1.781   8.275
  179    H    TYR  26           HN       TYR  26   2.857  -3.551   6.433
  180    HA   TYR  26           HA       TYR  26   5.066  -4.541   5.197
  181   1HB   TYR  26          HB2       TYR  26   3.521  -5.668   7.540
  182   2HB   TYR  26          HB1       TYR  26   5.089  -6.314   7.045
  183    HD1  TYR  26           HD1      TYR  26   3.347  -3.523   8.657
  184    HD2  TYR  26           HD2      TYR  26   7.129  -4.971   7.273
  185    HE1  TYR  26           HE1      TYR  26   4.495  -1.827   9.996
  186    HE2  TYR  26           HE2      TYR  26   8.265  -3.272   8.618
  187    HH   TYR  26           HH       TYR  26   7.048  -1.733  11.076
  188    H    GLY  27           HN       GLY  27   4.851  -5.355   3.264
  189   1HA   GLY  27          HA2       GLY  27   5.019  -7.605   2.312
  190   2HA   GLY  27          HA1       GLY  27   3.443  -7.979   2.986
  191    H    LYS  28           HN       LYS  28   2.056  -5.657   2.406
  192    HA   LYS  28           HA       LYS  28   2.188  -5.164  -0.442
  193   1HB   LYS  28          HB2       LYS  28   0.081  -6.257  -1.031
  194   2HB   LYS  28          HB1       LYS  28   1.274  -7.425  -0.473
  195   1HG   LYS  28          HG2       LYS  28   0.216  -7.627   1.672
  196   2HG   LYS  28          HG1       LYS  28  -0.934  -6.325   1.300
  197   1HD   LYS  28          HD2       LYS  28  -1.907  -7.663  -0.504
  198   2HD   LYS  28          HD1       LYS  28  -0.747  -8.966  -0.185
  199   1HE   LYS  28          HE2       LYS  28  -1.685  -9.332   2.000
  200   2HE   LYS  28          HE1       LYS  28  -2.751  -7.956   1.830
  201   1HZ   LYS  28          HZ1       LYS  28  -3.903  -9.993   1.429
  202   2HZ   LYS  28          HZ2       LYS  28  -2.841 -10.427   0.191
  203   3HZ   LYS  28          HZ3       LYS  28  -3.876  -9.089   0.002
  204    H    CYS  29           HN       CYS  29   0.522  -3.965  -1.250
  205    HA   CYS  29           HA       CYS  29  -0.252  -1.845   0.517
  206   1HB   CYS  29          HB2       CYS  29   0.514  -1.477  -1.801
  207   2HB   CYS  29          HB1       CYS  29  -0.886  -2.276  -2.394
  208    H    LEU  30           HN       LEU  30  -1.983  -1.724   1.600
  209    HA   LEU  30           HA       LEU  30  -4.368  -3.288   0.757
  210   1HB   LEU  30          HB2       LEU  30  -3.384  -2.649   3.558
  211   2HB   LEU  30          HB1       LEU  30  -4.906  -3.459   3.172
  212    HG   LEU  30           HG       LEU  30  -2.136  -4.551   2.595
  213   1HD1  LEU  30          HD11      LEU  30  -2.662  -4.499   4.995
  214   2HD1  LEU  30          HD12      LEU  30  -2.620  -6.135   4.351
  215   3HD1  LEU  30          HD13      LEU  30  -4.174  -5.371   4.680
  216   1HD2  LEU  30          HD21      LEU  30  -3.918  -6.618   2.457
  217   2HD2  LEU  30          HD22      LEU  30  -3.236  -5.768   1.081
  218   3HD2  LEU  30          HD23      LEU  30  -4.836  -5.340   1.683
  219    H    VAL  31           HN       VAL  31  -6.062  -2.244   0.405
  220    HA   VAL  31           HA       VAL  31  -6.313   0.582   0.854
  221    HB   VAL  31           HB       VAL  31  -7.415  -0.503  -1.065
  222   1HG1  VAL  31          HG11      VAL  31  -9.483  -1.673   0.670
  223   2HG1  VAL  31          HG12      VAL  31  -8.021  -2.601   0.356
  224   3HG1  VAL  31          HG13      VAL  31  -9.031  -2.059  -0.975
  225   1HG2  VAL  31          HG21      VAL  31  -9.442   0.691  -0.979
  226   2HG2  VAL  31          HG22      VAL  31  -8.307   1.641  -0.030
  227   3HG2  VAL  31          HG23      VAL  31  -9.523   0.634   0.775
  228    H    GLN  32           HN       GLN  32  -7.599   1.637   2.256
  229    HA   GLN  32           HA       GLN  32  -7.664   0.457   4.856
  230   1HB   GLN  32          HB2       GLN  32  -7.276   2.898   4.371
  231   2HB   GLN  32          HB1       GLN  32  -8.968   3.061   3.932
  232   1HG   GLN  32          HG2       GLN  32  -8.575   3.816   6.189
  233   2HG   GLN  32          HG1       GLN  32  -9.650   2.428   6.211
  234   1HE2  GLN  32          HE21      GLN  32  -6.510   3.669   7.047
  235   2HE2  GLN  32          HE22      GLN  32  -6.027   2.305   7.991
  236    H    VAL  33           HN       VAL  33  -8.872  -1.325   4.502
  237    HA   VAL  33           HA       VAL  33 -11.730  -1.118   3.873
  238    HB   VAL  33           HB       VAL  33 -11.767  -3.572   4.215
  239   1HG1  VAL  33          HG11      VAL  33 -11.204  -2.546   1.999
  240   2HG1  VAL  33          HG12      VAL  33 -10.593  -4.173   2.272
  241   3HG1  VAL  33          HG13      VAL  33  -9.500  -2.808   2.396
  242   1HG2  VAL  33          HG21      VAL  33 -10.038  -3.850   5.922
  243   2HG2  VAL  33          HG22      VAL  33  -8.800  -3.266   4.804
  244   3HG2  VAL  33          HG23      VAL  33  -9.635  -4.775   4.490
  245   1HG   HSL  34          HG1       HSL  34 -16.635  -1.037   7.978
  246   2HG   HSL  34          HG2       HSL  34 -15.544  -1.091   9.378
  247    H    HSL  34           HN       HSL  34 -13.298  -1.893   5.203
  248    HA   HSL  34           HA       HSL  34 -12.783  -1.913   7.841
  249   1HB   HSL  34          HB1       HSL  34 -14.054  -0.050   8.066
  250   2HB   HSL  34          HB2       HSL  34 -14.990  -0.388   6.605
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1  -0.221   3.056 -13.434
    2   2H    ALA   1           HT2      ALA   1  -1.710   3.327 -12.652
    3   3H    ALA   1           HT3      ALA   1  -1.639   2.336 -14.014
    4    HA   ALA   1           HA       ALA   1  -1.871   0.990 -12.068
    5   1HB   ALA   1          HB1       ALA   1   0.880   0.761 -13.315
    6   2HB   ALA   1          HB2       ALA   1  -0.626   0.122 -13.965
    7   3HB   ALA   1          HB3       ALA   1   0.010  -0.525 -12.457
    8    H    CYS   2           HN       CYS   2  -2.044   2.072 -10.228
    9    HA   CYS   2           HA       CYS   2   0.362   3.023  -8.798
   10   1HB   CYS   2          HB2       CYS   2  -1.186   3.960  -7.201
   11   2HB   CYS   2          HB1       CYS   2  -1.765   4.334  -8.817
   12    H    GLY   3           HN       GLY   3   0.044   2.509  -6.323
   13   1HA   GLY   3          HA2       GLY   3   0.296  -0.270  -5.884
   14   2HA   GLY   3          HA1       GLY   3   0.188   0.951  -4.658
   15    H    ILE   4           HN       ILE   4  -1.233  -1.672  -5.719
   16    HA   ILE   4           HA       ILE   4  -4.041  -0.805  -5.200
   17    HB   ILE   4           HB       ILE   4  -4.686  -2.797  -6.633
   18   1HG1  ILE   4          HG12      ILE   4  -1.735  -2.682  -7.381
   19   2HG1  ILE   4          HG11      ILE   4  -2.558  -4.035  -6.599
   20   1HG2  ILE   4          HG21      ILE   4  -3.155  -0.608  -8.071
   21   2HG2  ILE   4          HG22      ILE   4  -4.785  -0.453  -7.400
   22   3HG2  ILE   4          HG23      ILE   4  -4.486  -1.595  -8.695
   23   1HD1  ILE   4          HD11      ILE   4  -3.996  -4.138  -8.700
   24   2HD1  ILE   4          HD12      ILE   4  -2.308  -4.625  -8.814
   25   3HD1  ILE   4          HD13      ILE   4  -2.803  -3.043  -9.406
   26    H    LEU   5           HN       LEU   5  -5.408  -2.626  -4.587
   27    HA   LEU   5           HA       LEU   5  -4.616  -3.247  -1.940
   28   1HB   LEU   5          HB2       LEU   5  -6.810  -4.183  -1.673
   29   2HB   LEU   5          HB1       LEU   5  -6.878  -2.720  -2.626
   30    HG   LEU   5           HG       LEU   5  -6.776  -4.517  -4.662
   31   1HD1  LEU   5          HD11      LEU   5  -8.032  -5.971  -2.326
   32   2HD1  LEU   5          HD12      LEU   5  -6.777  -6.537  -3.427
   33   3HD1  LEU   5          HD13      LEU   5  -8.406  -6.326  -4.006
   34   1HD2  LEU   5          HD21      LEU   5  -9.292  -3.724  -3.183
   35   2HD2  LEU   5          HD22      LEU   5  -9.156  -4.254  -4.858
   36   3HD2  LEU   5          HD23      LEU   5  -8.432  -2.727  -4.370
   37    H    HIS   6           HN       HIS   6  -3.425  -4.725  -4.497
   38    HA   HIS   6           HA       HIS   6  -2.720  -7.080  -2.983
   39   1HB   HIS   6          HB2       HIS   6  -3.328  -8.603  -4.915
   40   2HB   HIS   6          HB1       HIS   6  -4.678  -7.947  -4.007
   41    HD1  HIS   6           HD1      HIS   6  -2.878  -7.351  -7.310
   42    HD2  HIS   6           HD2      HIS   6  -6.572  -6.748  -5.520
   43    HE1  HIS   6           HE1      HIS   6  -4.391  -6.505  -9.123
   44    HE2  HIS   6           HE2      HIS   6  -6.627  -6.194  -8.026
   45    H    ASP   7           HN       ASP   7  -1.342  -4.827  -3.657
   46    HA   ASP   7           HA       ASP   7   0.671  -5.975  -5.547
   47   1HB   ASP   7          HB2       ASP   7  -0.201  -3.811  -6.282
   48   2HB   ASP   7          HB1       ASP   7   0.243  -3.049  -4.766
   49    H    ASN   8           HN       ASN   8   2.285  -6.826  -4.611
   50    HA   ASN   8           HA       ASN   8   2.879  -6.438  -1.837
   51   1HB   ASN   8          HB2       ASN   8   4.154  -7.991  -4.051
   52   2HB   ASN   8          HB1       ASN   8   5.043  -7.771  -2.542
   53   1HD2  ASN   8          HD21      ASN   8   4.196  -8.656  -0.608
   54   2HD2  ASN   8          HD22      ASN   8   3.056  -9.951  -0.689
   55    H    CYS   9           HN       CYS   9   4.043  -5.004  -0.932
   56    HA   CYS   9           HA       CYS   9   6.146  -3.546  -2.320
   57   1HB   CYS   9          HB2       CYS   9   5.083  -1.349  -1.921
   58   2HB   CYS   9          HB1       CYS   9   4.125  -2.352  -2.996
   59    H    VAL  10           HN       VAL  10   7.288  -2.156  -1.007
   60    HA   VAL  10           HA       VAL  10   7.488  -3.082   1.765
   61    HB   VAL  10           HB       VAL  10   9.548  -2.781   0.485
   62   1HG1  VAL  10          HG11      VAL  10  10.361  -0.709  -0.261
   63   2HG1  VAL  10          HG12      VAL  10   9.075   0.198   0.503
   64   3HG1  VAL  10          HG13      VAL  10   8.732  -0.812  -0.902
   65   1HG2  VAL  10          HG21      VAL  10   9.486  -2.481   2.978
   66   2HG2  VAL  10          HG22      VAL  10   9.426  -0.733   2.712
   67   3HG2  VAL  10          HG23      VAL  10  10.803  -1.663   2.153
   68    H    TYR  11           HN       TYR  11   6.881  -2.041   3.422
   69    HA   TYR  11           HA       TYR  11   4.849  -0.034   3.177
   70   1HB   TYR  11          HB2       TYR  11   4.722  -0.220   5.683
   71   2HB   TYR  11          HB1       TYR  11   4.527  -1.713   4.797
   72    HD1  TYR  11           HD1      TYR  11   6.361  -3.428   4.742
   73    HD2  TYR  11           HD2      TYR  11   6.567   0.048   7.232
   74    HE1  TYR  11           HE1      TYR  11   8.118  -4.477   6.068
   75    HE2  TYR  11           HE2      TYR  11   8.325  -1.018   8.557
   76    HH   TYR  11           HH       TYR  11  10.147  -3.409   7.630
   77    H    VAL  12           HN       VAL  12   6.227   1.488   2.118
   78    HA   VAL  12           HA       VAL  12   7.500   3.301   4.111
   79    HB   VAL  12           HB       VAL  12   8.815   4.264   2.222
   80   1HG1  VAL  12          HG11      VAL  12   9.831   2.743   3.842
   81   2HG1  VAL  12          HG12      VAL  12  10.509   2.535   2.232
   82   3HG1  VAL  12          HG13      VAL  12   9.356   1.358   2.849
   83   1HG2  VAL  12          HG21      VAL  12   7.605   3.510   0.274
   84   2HG2  VAL  12          HG22      VAL  12   7.792   1.833   0.740
   85   3HG2  VAL  12          HG23      VAL  12   9.186   2.766   0.261
   86    HA   PRO  13           HA       PRO  13   3.516   5.157   2.898
   87   1HB   PRO  13          HB2       PRO  13   4.294   6.774   5.298
   88   2HB   PRO  13          HB1       PRO  13   2.763   5.991   4.880
   89   1HG   PRO  13          HG2       PRO  13   4.390   4.974   6.715
   90   2HG   PRO  13          HG1       PRO  13   3.483   3.912   5.637
   91   1HD   PRO  13          HD2       PRO  13   6.375   4.682   5.575
   92   2HD   PRO  13          HD1       PRO  13   5.560   3.153   5.228
   93    H    ALA  14           HN       ALA  14   6.539   6.679   3.838
   94    HA   ALA  14           HA       ALA  14   6.155   9.258   2.894
   95   1HB   ALA  14          HB1       ALA  14   8.589   9.424   2.813
   96   2HB   ALA  14          HB2       ALA  14   8.729   7.656   2.892
   97   3HB   ALA  14          HB3       ALA  14   8.051   8.553   4.245
   98    H    GLN  15           HN       GLN  15   6.791   6.314   1.206
   99    HA   GLN  15           HA       GLN  15   6.579   7.729  -1.371
  100   1HB   GLN  15          HB2       GLN  15   8.913   6.931  -0.786
  101   2HB   GLN  15          HB1       GLN  15   8.307   5.292  -0.730
  102   1HG   GLN  15          HG2       GLN  15   9.428   5.748  -2.813
  103   2HG   GLN  15          HG1       GLN  15   7.743   5.389  -3.126
  104   1HE2  GLN  15          HE21      GLN  15   6.387   7.048  -3.895
  105   2HE2  GLN  15          HE22      GLN  15   7.048   8.534  -4.475
  106    H    ASN  16           HN       ASN  16   4.457   6.846   0.040
  107    HA   ASN  16           HA       ASN  16   3.642   4.204  -0.327
  108   1HB   ASN  16          HB2       ASN  16   2.530   5.841   1.155
  109   2HB   ASN  16          HB1       ASN  16   1.854   6.669  -0.234
  110   1HD2  ASN  16          HD21      ASN  16  -0.294   6.271   0.246
  111   2HD2  ASN  16          HD22      ASN  16  -0.960   4.680   0.270
  112    HA   PRO  17           HA       PRO  17   3.400   4.480  -4.806
  113   1HB   PRO  17          HB2       PRO  17   3.165   1.834  -5.246
  114   2HB   PRO  17          HB1       PRO  17   4.664   2.553  -4.652
  115   1HG   PRO  17          HG2       PRO  17   2.511   1.175  -3.065
  116   2HG   PRO  17          HG1       PRO  17   4.268   0.929  -3.035
  117   1HD   PRO  17          HD2       PRO  17   2.980   2.448  -1.234
  118   2HD   PRO  17          HD1       PRO  17   4.655   2.779  -1.739
  119    H    CYS  18           HN       CYS  18   1.089   3.602  -2.540
  120    HA   CYS  18           HA       CYS  18  -0.840   2.434  -4.235
  121   1HB   CYS  18          HB2       CYS  18  -1.060   3.386  -1.405
  122   2HB   CYS  18          HB1       CYS  18  -2.177   2.338  -2.244
  123    H    CYS  19           HN       CYS  19  -2.771   3.127  -4.840
  124    HA   CYS  19           HA       CYS  19  -3.125   5.869  -5.454
  125   1HB   CYS  19          HB2       CYS  19  -4.941   3.477  -5.346
  126   2HB   CYS  19          HB1       CYS  19  -5.666   5.072  -5.546
  127    H    ARG  20           HN       ARG  20  -4.486   7.366  -4.589
  128    HA   ARG  20           HA       ARG  20  -3.873   7.729  -1.814
  129   1HB   ARG  20          HB2       ARG  20  -5.775   9.355  -3.539
  130   2HB   ARG  20          HB1       ARG  20  -5.021   9.854  -2.006
  131   1HG   ARG  20          HG2       ARG  20  -2.789   9.657  -3.117
  132   2HG   ARG  20          HG1       ARG  20  -3.625   9.315  -4.640
  133   1HD   ARG  20          HD2       ARG  20  -3.059  11.596  -4.631
  134   2HD   ARG  20          HD1       ARG  20  -4.809  11.499  -4.395
  135    HE   ARG  20           HE       ARG  20  -3.181  11.676  -1.960
  136   1HH1  ARG  20          HH11      ARG  20  -4.969  13.498  -4.402
  137   2HH1  ARG  20          HH12      ARG  20  -5.174  14.851  -3.367
  138   1HH2  ARG  20          HH21      ARG  20  -3.463  13.487  -0.649
  139   2HH2  ARG  20          HH22      ARG  20  -4.324  14.866  -1.245
  140    H    GLY  21           HN       GLY  21  -4.729   6.526  -0.410
  141   1HA   GLY  21          HA2       GLY  21  -6.936   6.502   0.891
  142   2HA   GLY  21          HA1       GLY  21  -7.603   5.750  -0.556
  143    H    LEU  22           HN       LEU  22  -4.974   4.429  -1.058
  144    HA   LEU  22           HA       LEU  22  -5.319   2.176   0.826
  145   1HB   LEU  22          HB2       LEU  22  -3.980   2.333  -1.875
  146   2HB   LEU  22          HB1       LEU  22  -3.981   0.909  -0.843
  147    HG   LEU  22           HG       LEU  22  -6.525   0.976  -1.048
  148   1HD1  LEU  22          HD11      LEU  22  -5.816   3.018  -3.137
  149   2HD1  LEU  22          HD12      LEU  22  -6.980   3.142  -1.815
  150   3HD1  LEU  22          HD13      LEU  22  -7.301   2.073  -3.156
  151   1HD2  LEU  22          HD21      LEU  22  -6.506  -0.157  -3.162
  152   2HD2  LEU  22          HD22      LEU  22  -5.107  -0.650  -2.216
  153   3HD2  LEU  22          HD23      LEU  22  -4.918   0.501  -3.552
  154    H    GLN  23           HN       GLN  23  -3.677   1.268   1.848
  155    HA   GLN  23           HA       GLN  23  -1.177   2.878   2.025
  156   1HB   GLN  23          HB2       GLN  23  -2.417   3.197   4.072
  157   2HB   GLN  23          HB1       GLN  23  -2.743   1.474   4.200
  158   1HG   GLN  23          HG2       GLN  23  -1.068   2.148   5.772
  159   2HG   GLN  23          HG1       GLN  23  -0.394   0.988   4.648
  160   1HE2  GLN  23          HE21      GLN  23   1.739   1.611   4.839
  161   2HE2  GLN  23          HE22      GLN  23   2.292   3.159   4.324
  162    H    CYS  24           HN       CYS  24   0.554   1.912   1.570
  163    HA   CYS  24           HA       CYS  24   0.757  -0.863   0.994
  164   1HB   CYS  24          HB2       CYS  24   2.198   0.747  -0.080
  165   2HB   CYS  24          HB1       CYS  24   2.923   1.173   1.460
  166    H    ARG  25           HN       ARG  25   0.314  -2.207   2.515
  167    HA   ARG  25           HA       ARG  25   1.241  -1.815   5.255
  168   1HB   ARG  25          HB2       ARG  25  -0.524  -3.828   3.849
  169   2HB   ARG  25          HB1       ARG  25   0.038  -4.165   5.473
  170   1HG   ARG  25          HG2       ARG  25  -1.532  -1.694   4.655
  171   2HG   ARG  25          HG1       ARG  25  -2.217  -3.164   5.340
  172   1HD   ARG  25          HD2       ARG  25  -1.317  -2.840   7.394
  173   2HD   ARG  25          HD1       ARG  25   0.028  -1.855   6.829
  174    HE   ARG  25           HE       ARG  25  -2.542  -0.583   6.482
  175   1HH1  ARG  25          HH11      ARG  25  -0.027  -1.304   8.841
  176   2HH1  ARG  25          HH12      ARG  25  -0.286   0.154   9.709
  177   1HH2  ARG  25          HH21      ARG  25  -2.830   1.314   7.680
  178   2HH2  ARG  25          HH22      ARG  25  -1.901   1.650   9.070
  179    H    TYR  26           HN       TYR  26   1.937  -3.955   6.289
  180    HA   TYR  26           HA       TYR  26   4.635  -4.165   5.518
  181   1HB   TYR  26          HB2       TYR  26   2.942  -5.670   7.495
  182   2HB   TYR  26          HB1       TYR  26   4.658  -6.037   7.273
  183    HD1  TYR  26           HD1      TYR  26   2.681  -2.825   7.533
  184    HD2  TYR  26           HD2      TYR  26   5.872  -5.216   9.086
  185    HE1  TYR  26           HE1      TYR  26   3.229  -1.066   9.104
  186    HE2  TYR  26           HE2      TYR  26   6.458  -3.404  10.616
  187    HH   TYR  26           HH       TYR  26   6.003  -0.706  10.666
  188    H    GLY  27           HN       GLY  27   4.634  -4.721   3.407
  189   1HA   GLY  27          HA2       GLY  27   5.541  -6.616   2.253
  190   2HA   GLY  27          HA1       GLY  27   4.283  -7.642   2.913
  191    H    LYS  28           HN       LYS  28   2.328  -5.334   2.409
  192    HA   LYS  28           HA       LYS  28   2.081  -5.294  -0.460
  193   1HB   LYS  28          HB2       LYS  28   0.049  -6.639  -0.580
  194   2HB   LYS  28          HB1       LYS  28   1.417  -7.567   0.027
  195   1HG   LYS  28          HG2       LYS  28   0.584  -7.308   2.351
  196   2HG   LYS  28          HG1       LYS  28  -0.783  -6.367   1.747
  197   1HD   LYS  28          HD2       LYS  28  -1.478  -8.609   2.163
  198   2HD   LYS  28          HD1       LYS  28  -1.569  -8.282   0.433
  199   1HE   LYS  28          HE2       LYS  28   0.549  -9.497   0.095
  200   2HE   LYS  28          HE1       LYS  28   0.682  -9.758   1.842
  201   1HZ   LYS  28          HZ1       LYS  28  -1.345 -11.078   1.736
  202   2HZ   LYS  28          HZ2       LYS  28  -0.154 -11.668   0.696
  203   3HZ   LYS  28          HZ3       LYS  28  -1.458 -10.808   0.058
  204    H    CYS  29           HN       CYS  29   0.514  -4.091  -1.234
  205    HA   CYS  29           HA       CYS  29  -0.389  -1.952   0.466
  206   1HB   CYS  29          HB2       CYS  29   0.466  -1.517  -1.783
  207   2HB   CYS  29          HB1       CYS  29  -0.819  -2.448  -2.474
  208    H    LEU  30           HN       LEU  30  -2.208  -1.726   1.370
  209    HA   LEU  30           HA       LEU  30  -4.563  -3.284   0.434
  210   1HB   LEU  30          HB2       LEU  30  -3.587  -2.954   3.298
  211   2HB   LEU  30          HB1       LEU  30  -5.142  -3.652   2.840
  212    HG   LEU  30           HG       LEU  30  -2.432  -4.833   2.149
  213   1HD1  LEU  30          HD11      LEU  30  -2.882  -4.953   4.544
  214   2HD1  LEU  30          HD12      LEU  30  -2.991  -6.528   3.783
  215   3HD1  LEU  30          HD13      LEU  30  -4.466  -5.671   4.223
  216   1HD2  LEU  30          HD21      LEU  30  -3.774  -6.799   1.525
  217   2HD2  LEU  30          HD22      LEU  30  -4.105  -5.438   0.475
  218   3HD2  LEU  30          HD23      LEU  30  -5.253  -5.874   1.749
  219    H    VAL  31           HN       VAL  31  -6.517  -2.466   1.049
  220    HA   VAL  31           HA       VAL  31  -6.691   0.386   0.792
  221    HB   VAL  31           HB       VAL  31  -8.884  -1.590   1.517
  222   1HG1  VAL  31          HG11      VAL  31  -8.934   1.317   0.648
  223   2HG1  VAL  31          HG12      VAL  31  -9.670   0.582   2.083
  224   3HG1  VAL  31          HG13      VAL  31 -10.315   0.238   0.492
  225   1HG2  VAL  31          HG21      VAL  31  -7.819  -2.135  -0.623
  226   2HG2  VAL  31          HG22      VAL  31  -8.100  -0.486  -1.194
  227   3HG2  VAL  31          HG23      VAL  31  -9.457  -1.543  -0.829
  228    H    GLN  32           HN       GLN  32  -6.396   1.775   2.265
  229    HA   GLN  32           HA       GLN  32  -6.340   0.962   5.075
  230   1HB   GLN  32          HB2       GLN  32  -4.455   2.177   4.146
  231   2HB   GLN  32          HB1       GLN  32  -5.435   3.532   3.706
  232   1HG   GLN  32          HG2       GLN  32  -4.242   4.036   5.711
  233   2HG   GLN  32          HG1       GLN  32  -5.943   3.922   6.114
  234   1HE2  GLN  32          HE21      GLN  32  -5.575   3.482   8.287
  235   2HE2  GLN  32          HE22      GLN  32  -4.882   1.987   8.806
  236    H    VAL  33           HN       VAL  33  -7.610   1.734   6.575
  237    HA   VAL  33           HA       VAL  33 -10.085   3.083   5.804
  238    HB   VAL  33           HB       VAL  33  -9.136   2.418   8.621
  239   1HG1  VAL  33          HG11      VAL  33 -11.594   2.346   9.027
  240   2HG1  VAL  33          HG12      VAL  33 -11.858   2.997   7.414
  241   3HG1  VAL  33          HG13      VAL  33 -10.995   3.947   8.633
  242   1HG2  VAL  33          HG21      VAL  33 -10.402   0.358   8.440
  243   2HG2  VAL  33          HG22      VAL  33  -9.080   0.368   7.283
  244   3HG2  VAL  33          HG23      VAL  33 -10.739   0.668   6.739
  245   1HG   HSL  34          HG1       HSL  34  -5.918   7.893   3.600
  246   2HG   HSL  34          HG2       HSL  34  -5.867   8.609   5.224
  247    H    HSL  34           HN       HSL  34  -8.682   4.763   4.916
  248    HA   HSL  34           HA       HSL  34  -7.994   6.632   6.718
  249   1HB   HSL  34          HB1       HSL  34  -6.322   5.848   4.413
  250   2HB   HSL  34          HB2       HSL  34  -5.852   6.501   5.987
  Start of MODEL   18
    1   1H    ALA   1           HT1      ALA   1   2.526   3.247 -12.802
    2   2H    ALA   1           HT2      ALA   1   1.488   4.584 -12.612
    3   3H    ALA   1           HT3      ALA   1   1.343   3.588 -13.964
    4    HA   ALA   1           HA       ALA   1  -0.424   3.121 -12.453
    5   1HB   ALA   1          HB1       ALA   1   1.614   0.881 -12.569
    6   2HB   ALA   1          HB2       ALA   1   0.457   1.319 -13.821
    7   3HB   ALA   1          HB3       ALA   1  -0.128   0.694 -12.283
    8    H    CYS   2           HN       CYS   2  -1.144   3.189 -10.506
    9    HA   CYS   2           HA       CYS   2   0.710   3.470  -8.245
   10   1HB   CYS   2          HB2       CYS   2  -1.209   4.152  -6.985
   11   2HB   CYS   2          HB1       CYS   2  -1.334   4.913  -8.566
   12    H    GLY   3           HN       GLY   3   0.654   2.161  -6.473
   13   1HA   GLY   3          HA2       GLY   3   0.298  -0.550  -6.626
   14   2HA   GLY   3          HA1       GLY   3   0.281   0.346  -5.128
   15    H    ILE   4           HN       ILE   4  -1.369  -1.805  -6.629
   16    HA   ILE   4           HA       ILE   4  -4.075  -0.693  -6.399
   17    HB   ILE   4           HB       ILE   4  -4.726  -2.955  -7.444
   18   1HG1  ILE   4          HG12      ILE   4  -1.728  -3.075  -7.886
   19   2HG1  ILE   4          HG11      ILE   4  -2.674  -4.200  -6.888
   20   1HG2  ILE   4          HG21      ILE   4  -2.942  -1.147  -9.077
   21   2HG2  ILE   4          HG22      ILE   4  -4.626  -0.813  -8.646
   22   3HG2  ILE   4          HG23      ILE   4  -4.245  -2.202  -9.646
   23   1HD1  ILE   4          HD11      ILE   4  -2.759  -3.831  -9.867
   24   2HD1  ILE   4          HD12      ILE   4  -3.882  -4.854  -8.955
   25   3HD1  ILE   4          HD13      ILE   4  -2.156  -5.203  -8.946
   26    H    LEU   5           HN       LEU   5  -5.631  -2.643  -5.870
   27    HA   LEU   5           HA       LEU   5  -6.188  -2.322  -3.380
   28   1HB   LEU   5          HB2       LEU   5  -7.600  -4.291  -3.352
   29   2HB   LEU   5          HB1       LEU   5  -7.653  -3.471  -4.895
   30    HG   LEU   5           HG       LEU   5  -6.000  -5.948  -4.434
   31   1HD1  LEU   5          HD11      LEU   5  -8.359  -6.447  -4.053
   32   2HD1  LEU   5          HD12      LEU   5  -7.738  -7.183  -5.524
   33   3HD1  LEU   5          HD13      LEU   5  -8.747  -5.743  -5.633
   34   1HD2  LEU   5          HD21      LEU   5  -6.801  -4.432  -6.912
   35   2HD2  LEU   5          HD22      LEU   5  -6.160  -6.074  -6.920
   36   3HD2  LEU   5          HD23      LEU   5  -5.169  -4.765  -6.313
   37    H    HIS   6           HN       HIS   6  -4.092  -5.012  -4.346
   38    HA   HIS   6           HA       HIS   6  -3.043  -5.090  -1.610
   39   1HB   HIS   6          HB2       HIS   6  -3.254  -7.492  -1.393
   40   2HB   HIS   6          HB1       HIS   6  -4.838  -6.785  -1.673
   41    HD1  HIS   6           HD1      HIS   6  -2.139  -8.679  -3.559
   42    HD2  HIS   6           HD2      HIS   6  -6.206  -7.885  -3.738
   43    HE1  HIS   6           HE1      HIS   6  -2.990  -9.979  -5.517
   44    HE2  HIS   6           HE2      HIS   6  -5.428  -9.373  -5.702
   45    H    ASP   7           HN       ASP   7  -1.968  -3.972  -3.847
   46    HA   ASP   7           HA       ASP   7  -0.133  -5.830  -5.092
   47   1HB   ASP   7          HB2       ASP   7  -0.808  -3.959  -6.347
   48   2HB   ASP   7          HB1       ASP   7  -0.319  -2.795  -5.151
   49    H    ASN   8           HN       ASN   8   1.793  -6.325  -4.522
   50    HA   ASN   8           HA       ASN   8   2.643  -5.942  -1.862
   51   1HB   ASN   8          HB2       ASN   8   4.026  -7.146  -4.216
   52   2HB   ASN   8          HB1       ASN   8   4.718  -7.147  -2.588
   53   1HD2  ASN   8          HD21      ASN   8   4.748  -9.382  -2.461
   54   2HD2  ASN   8          HD22      ASN   8   3.288 -10.291  -2.294
   55    H    CYS   9           HN       CYS   9   4.062  -4.703  -0.922
   56    HA   CYS   9           HA       CYS   9   5.765  -2.922  -2.416
   57   1HB   CYS   9          HB2       CYS   9   4.788  -0.851  -1.495
   58   2HB   CYS   9          HB1       CYS   9   3.647  -1.713  -2.509
   59    H    VAL  10           HN       VAL  10   7.105  -1.700  -1.149
   60    HA   VAL  10           HA       VAL  10   7.748  -2.895   1.473
   61    HB   VAL  10           HB       VAL  10   9.749  -1.420   1.411
   62   1HG1  VAL  10          HG11      VAL  10   9.858  -3.698   0.518
   63   2HG1  VAL  10          HG12      VAL  10  10.915  -2.587  -0.345
   64   3HG1  VAL  10          HG13      VAL  10   9.397  -3.093  -1.084
   65   1HG2  VAL  10          HG21      VAL  10  10.308  -0.192  -0.580
   66   2HG2  VAL  10          HG22      VAL  10   8.793   0.433   0.027
   67   3HG2  VAL  10          HG23      VAL  10   8.811  -0.645  -1.369
   68    H    TYR  11           HN       TYR  11   7.806  -1.779   3.327
   69    HA   TYR  11           HA       TYR  11   5.499  -0.086   3.648
   70   1HB   TYR  11          HB2       TYR  11   6.291  -1.824   5.268
   71   2HB   TYR  11          HB1       TYR  11   7.628  -0.777   5.716
   72    HD1  TYR  11           HD1      TYR  11   7.274   1.084   7.211
   73    HD2  TYR  11           HD2      TYR  11   3.931  -1.109   5.735
   74    HE1  TYR  11           HE1      TYR  11   5.819   2.192   8.838
   75    HE2  TYR  11           HE2      TYR  11   2.492  -0.046   7.398
   76    HH   TYR  11           HH       TYR  11   3.081   2.678   8.803
   77    H    VAL  12           HN       VAL  12   6.166   1.527   2.203
   78    HA   VAL  12           HA       VAL  12   7.810   3.637   3.494
   79    HB   VAL  12           HB       VAL  12   7.782   2.944   0.546
   80   1HG1  VAL  12          HG11      VAL  12   7.865   5.308   0.715
   81   2HG1  VAL  12          HG12      VAL  12   9.506   4.776   0.457
   82   3HG1  VAL  12          HG13      VAL  12   8.993   5.273   2.068
   83   1HG2  VAL  12          HG21      VAL  12  10.152   2.529   0.855
   84   2HG2  VAL  12          HG22      VAL  12   9.207   1.445   1.862
   85   3HG2  VAL  12          HG23      VAL  12  10.022   2.841   2.584
   86    HA   PRO  13           HA       PRO  13   3.565   5.140   3.010
   87   1HB   PRO  13          HB2       PRO  13   4.440   7.142   4.998
   88   2HB   PRO  13          HB1       PRO  13   3.166   5.922   5.078
   89   1HG   PRO  13          HG2       PRO  13   5.441   5.750   6.504
   90   2HG   PRO  13          HG1       PRO  13   4.570   4.317   5.926
   91   1HD   PRO  13          HD2       PRO  13   7.032   5.635   4.808
   92   2HD   PRO  13          HD1       PRO  13   6.634   3.913   5.053
   93    H    ALA  14           HN       ALA  14   6.319   7.329   3.485
   94    HA   ALA  14           HA       ALA  14   5.049   9.625   2.439
   95   1HB   ALA  14          HB1       ALA  14   7.256  10.634   2.479
   96   2HB   ALA  14          HB2       ALA  14   8.006   9.037   2.680
   97   3HB   ALA  14          HB3       ALA  14   6.958   9.689   3.934
   98    H    GLN  15           HN       GLN  15   7.035   7.131   1.025
   99    HA   GLN  15           HA       GLN  15   6.621   8.333  -1.679
  100   1HB   GLN  15          HB2       GLN  15   8.962   8.227  -0.940
  101   2HB   GLN  15          HB1       GLN  15   8.839   6.511  -0.675
  102   1HG   GLN  15          HG2       GLN  15   8.020   7.036  -3.394
  103   2HG   GLN  15          HG1       GLN  15   9.458   7.967  -3.035
  104   1HE2  GLN  15          HE21      GLN  15   8.120   4.727  -3.145
  105   2HE2  GLN  15          HE22      GLN  15   9.652   3.939  -3.243
  106    H    ASN  16           HN       ASN  16   4.662   6.877  -0.364
  107    HA   ASN  16           HA       ASN  16   4.730   4.095  -1.010
  108   1HB   ASN  16          HB2       ASN  16   3.397   4.906   0.837
  109   2HB   ASN  16          HB1       ASN  16   2.417   5.895  -0.211
  110   1HD2  ASN  16          HD21      ASN  16   0.562   4.797   0.577
  111   2HD2  ASN  16          HD22      ASN  16   0.211   3.190   0.069
  112    HA   PRO  17           HA       PRO  17   3.629   5.025  -5.288
  113   1HB   PRO  17          HB2       PRO  17   4.626   2.755  -6.331
  114   2HB   PRO  17          HB1       PRO  17   5.674   4.028  -5.709
  115   1HG   PRO  17          HG2       PRO  17   4.915   1.441  -4.429
  116   2HG   PRO  17          HG1       PRO  17   6.474   2.282  -4.453
  117   1HD   PRO  17          HD2       PRO  17   4.623   2.346  -2.375
  118   2HD   PRO  17          HD1       PRO  17   5.980   3.457  -2.622
  119    H    CYS  18           HN       CYS  18   1.616   4.528  -3.666
  120    HA   CYS  18           HA       CYS  18   0.038   2.395  -4.857
  121   1HB   CYS  18          HB2       CYS  18   1.188   1.664  -2.684
  122   2HB   CYS  18          HB1       CYS  18   0.131   2.806  -1.904
  123    H    CYS  19           HN       CYS  19  -2.081   2.806  -4.960
  124    HA   CYS  19           HA       CYS  19  -2.705   5.553  -5.256
  125   1HB   CYS  19          HB2       CYS  19  -4.153   2.999  -5.529
  126   2HB   CYS  19          HB1       CYS  19  -5.195   4.355  -5.124
  127    H    ARG  20           HN       ARG  20  -4.058   6.885  -4.223
  128    HA   ARG  20           HA       ARG  20  -3.654   6.792  -1.396
  129   1HB   ARG  20          HB2       ARG  20  -3.614   8.882  -2.952
  130   2HB   ARG  20          HB1       ARG  20  -5.359   8.863  -2.812
  131   1HG   ARG  20          HG2       ARG  20  -4.674  10.374  -1.192
  132   2HG   ARG  20          HG1       ARG  20  -5.018   8.928  -0.251
  133   1HD   ARG  20          HD2       ARG  20  -2.353  10.058  -1.080
  134   2HD   ARG  20          HD1       ARG  20  -2.981   9.836   0.545
  135    HE   ARG  20           HE       ARG  20  -2.878   7.350   0.081
  136   1HH1  ARG  20          HH11      ARG  20  -0.526   9.691  -1.081
  137   2HH1  ARG  20          HH12      ARG  20   0.653   8.490  -1.399
  138   1HH2  ARG  20          HH21      ARG  20  -1.316   5.780  -0.445
  139   2HH2  ARG  20          HH22      ARG  20   0.234   6.278  -1.037
  140    H    GLY  21           HN       GLY  21  -4.887   6.165   0.108
  141   1HA   GLY  21          HA2       GLY  21  -7.095   5.760   0.989
  142   2HA   GLY  21          HA1       GLY  21  -7.657   5.288  -0.609
  143    H    LEU  22           HN       LEU  22  -4.685   4.135  -0.635
  144    HA   LEU  22           HA       LEU  22  -5.338   1.594   0.751
  145   1HB   LEU  22          HB2       LEU  22  -3.583   2.133  -1.664
  146   2HB   LEU  22          HB1       LEU  22  -3.666   0.594  -0.819
  147    HG   LEU  22           HG       LEU  22  -6.100   0.475  -1.421
  148   1HD1  LEU  22          HD11      LEU  22  -6.368   2.038  -3.631
  149   2HD1  LEU  22          HD12      LEU  22  -5.534   3.135  -2.549
  150   3HD1  LEU  22          HD13      LEU  22  -7.038   2.387  -2.054
  151   1HD2  LEU  22          HD21      LEU  22  -5.698  -0.194  -3.696
  152   2HD2  LEU  22          HD22      LEU  22  -4.376  -0.726  -2.664
  153   3HD2  LEU  22          HD23      LEU  22  -4.166   0.678  -3.727
  154    H    GLN  23           HN       GLN  23  -3.958   0.770   2.069
  155    HA   GLN  23           HA       GLN  23  -1.722   2.502   2.991
  156   1HB   GLN  23          HB2       GLN  23  -1.924   1.310   5.135
  157   2HB   GLN  23          HB1       GLN  23  -3.367   2.146   4.665
  158   1HG   GLN  23          HG2       GLN  23  -4.433   0.092   3.958
  159   2HG   GLN  23          HG1       GLN  23  -2.976  -0.811   4.339
  160   1HE2  GLN  23          HE21      GLN  23  -5.700  -1.129   5.333
  161   2HE2  GLN  23          HE22      GLN  23  -5.550  -0.956   7.045
  162    H    CYS  24           HN       CYS  24   0.194   1.895   2.501
  163    HA   CYS  24           HA       CYS  24   0.761  -0.805   1.557
  164   1HB   CYS  24          HB2       CYS  24   1.847   1.038   0.504
  165   2HB   CYS  24          HB1       CYS  24   2.597   1.573   2.002
  166    H    ARG  25           HN       ARG  25   0.573  -2.225   3.062
  167    HA   ARG  25           HA       ARG  25   1.910  -1.842   5.677
  168   1HB   ARG  25          HB2       ARG  25  -0.113  -3.851   4.621
  169   2HB   ARG  25          HB1       ARG  25   0.651  -4.031   6.205
  170   1HG   ARG  25          HG2       ARG  25  -1.074  -1.688   5.313
  171   2HG   ARG  25          HG1       ARG  25  -1.567  -3.036   6.333
  172   1HD   ARG  25          HD2       ARG  25  -0.240  -2.398   8.106
  173   2HD   ARG  25          HD1       ARG  25   0.786  -1.349   7.134
  174    HE   ARG  25           HE       ARG  25  -1.942  -0.503   7.265
  175   1HH1  ARG  25          HH11      ARG  25   1.104  -0.430   8.984
  176   2HH1  ARG  25          HH12      ARG  25   0.795   1.119   9.656
  177   1HH2  ARG  25          HH21      ARG  25  -2.326   1.543   8.167
  178   2HH2  ARG  25          HH22      ARG  25  -1.140   2.239   9.220
  179    H    TYR  26           HN       TYR  26   3.008  -3.650   6.563
  180    HA   TYR  26           HA       TYR  26   5.333  -4.146   5.108
  181   1HB   TYR  26          HB2       TYR  26   4.168  -5.691   7.447
  182   2HB   TYR  26          HB1       TYR  26   5.808  -5.922   6.831
  183    HD1  TYR  26           HD1      TYR  26   7.536  -4.250   7.214
  184    HD2  TYR  26           HD2      TYR  26   3.556  -3.643   8.659
  185    HE1  TYR  26           HE1      TYR  26   8.328  -2.443   8.659
  186    HE2  TYR  26           HE2      TYR  26   4.373  -1.891  10.153
  187    HH   TYR  26           HH       TYR  26   6.992  -0.250   9.732
  188    H    GLY  27           HN       GLY  27   5.002  -4.861   3.137
  189   1HA   GLY  27          HA2       GLY  27   5.324  -7.080   2.067
  190   2HA   GLY  27          HA1       GLY  27   3.805  -7.579   2.788
  191    H    LYS  28           HN       LYS  28   2.216  -5.354   2.370
  192    HA   LYS  28           HA       LYS  28   2.203  -4.653  -0.427
  193   1HB   LYS  28          HB2       LYS  28   0.127  -5.965  -0.985
  194   2HB   LYS  28          HB1       LYS  28   1.566  -6.939  -0.735
  195   1HG   LYS  28          HG2       LYS  28   0.882  -7.495   1.529
  196   2HG   LYS  28          HG1       LYS  28  -0.613  -6.553   1.302
  197   1HD   LYS  28          HD2       LYS  28  -1.351  -8.027  -0.456
  198   2HD   LYS  28          HD1       LYS  28   0.189  -8.904  -0.447
  199   1HE   LYS  28          HE2       LYS  28  -1.552 -10.136   0.696
  200   2HE   LYS  28          HE1       LYS  28  -0.268  -9.698   1.821
  201   1HZ   LYS  28          HZ1       LYS  28  -1.624  -8.090   2.827
  202   2HZ   LYS  28          HZ2       LYS  28  -2.654  -9.395   2.556
  203   3HZ   LYS  28          HZ3       LYS  28  -2.739  -8.049   1.543
  204    H    CYS  29           HN       CYS  29   0.127  -3.809  -1.130
  205    HA   CYS  29           HA       CYS  29  -0.773  -1.825   0.716
  206   1HB   CYS  29          HB2       CYS  29  -1.610  -2.532  -2.098
  207   2HB   CYS  29          HB1       CYS  29  -2.308  -1.188  -1.187
  208    H    LEU  30           HN       LEU  30  -2.609  -1.677   1.735
  209    HA   LEU  30           HA       LEU  30  -4.715  -3.720   1.307
  210   1HB   LEU  30          HB2       LEU  30  -3.818  -2.477   3.910
  211   2HB   LEU  30          HB1       LEU  30  -5.266  -3.436   3.737
  212    HG   LEU  30           HG       LEU  30  -2.417  -4.393   3.351
  213   1HD1  LEU  30          HD11      LEU  30  -3.255  -3.868   5.721
  214   2HD1  LEU  30          HD12      LEU  30  -2.613  -5.470   5.398
  215   3HD1  LEU  30          HD13      LEU  30  -4.355  -5.227   5.496
  216   1HD2  LEU  30          HD21      LEU  30  -5.078  -5.835   3.138
  217   2HD2  LEU  30          HD22      LEU  30  -3.517  -6.631   3.297
  218   3HD2  LEU  30          HD23      LEU  30  -3.847  -5.660   1.880
  219    H    VAL  31           HN       VAL  31  -6.477  -2.965   0.727
  220    HA   VAL  31           HA       VAL  31  -6.953  -0.191   0.302
  221    HB   VAL  31           HB       VAL  31  -9.388  -1.012  -0.133
  222   1HG1  VAL  31          HG11      VAL  31  -8.643  -2.083  -2.288
  223   2HG1  VAL  31          HG12      VAL  31  -6.995  -1.888  -1.705
  224   3HG1  VAL  31          HG13      VAL  31  -8.009  -0.472  -1.960
  225   1HG2  VAL  31          HG21      VAL  31  -9.020  -3.181   1.195
  226   2HG2  VAL  31          HG22      VAL  31  -8.043  -3.719  -0.174
  227   3HG2  VAL  31          HG23      VAL  31  -9.732  -3.312  -0.404
  228    H    GLN  32           HN       GLN  32  -6.937   1.051   1.944
  229    HA   GLN  32           HA       GLN  32  -8.118   0.692   4.499
  230   1HB   GLN  32          HB2       GLN  32  -7.796   3.300   2.961
  231   2HB   GLN  32          HB1       GLN  32  -8.051   3.131   4.694
  232   1HG   GLN  32          HG2       GLN  32  -5.904   2.208   5.038
  233   2HG   GLN  32          HG1       GLN  32  -5.603   2.038   3.303
  234   1HE2  GLN  32          HE21      GLN  32  -4.094   3.544   5.378
  235   2HE2  GLN  32          HE22      GLN  32  -4.014   5.133   4.744
  236    H    VAL  33           HN       VAL  33  -9.178   2.196   1.554
  237    HA   VAL  33           HA       VAL  33 -11.884   2.699   2.542
  238    HB   VAL  33           HB       VAL  33 -12.261   3.656   0.254
  239   1HG1  VAL  33          HG11      VAL  33 -10.891   5.611   0.582
  240   2HG1  VAL  33          HG12      VAL  33  -9.845   4.750   1.708
  241   3HG1  VAL  33          HG13      VAL  33 -11.540   5.064   2.124
  242   1HG2  VAL  33          HG21      VAL  33 -10.337   4.026  -1.197
  243   2HG2  VAL  33          HG22      VAL  33 -10.631   2.312  -1.046
  244   3HG2  VAL  33          HG23      VAL  33  -9.312   3.066  -0.161
  245   1HG   HSL  34          HG1       HSL  34 -12.463  -4.178   1.173
  246   2HG   HSL  34          HG2       HSL  34 -11.739  -3.962   2.780
  247    H    HSL  34           HN       HSL  34 -11.834   0.308   2.940
  248    HA   HSL  34           HA       HSL  34 -13.257  -1.073   0.550
  249   1HB   HSL  34          HB1       HSL  34 -11.010  -1.906   2.276
  250   2HB   HSL  34          HB2       HSL  34 -11.361  -2.314   0.593
  Start of MODEL   19
    1   1H    ALA   1           HT1      ALA   1   3.887   1.762 -12.878
    2   2H    ALA   1           HT2      ALA   1   4.566   2.209 -11.396
    3   3H    ALA   1           HT3      ALA   1   3.301   3.126 -12.074
    4    HA   ALA   1           HA       ALA   1   1.795   1.245 -11.885
    5   1HB   ALA   1          HB1       ALA   1   4.103  -0.122 -10.479
    6   2HB   ALA   1          HB2       ALA   1   3.471  -0.498 -12.077
    7   3HB   ALA   1          HB3       ALA   1   2.460  -0.768 -10.662
    8    H    CYS   2           HN       CYS   2   0.400   1.972 -10.559
    9    HA   CYS   2           HA       CYS   2   1.185   3.168  -7.980
   10   1HB   CYS   2          HB2       CYS   2  -0.404   4.319  -9.475
   11   2HB   CYS   2          HB1       CYS   2  -1.542   2.991  -9.321
   12    H    GLY   3           HN       GLY   3   0.819   2.272  -6.109
   13   1HA   GLY   3          HA2       GLY   3   0.528  -0.497  -5.840
   14   2HA   GLY   3          HA1       GLY   3   0.514   0.660  -4.544
   15    H    ILE   4           HN       ILE   4  -1.178  -1.719  -5.622
   16    HA   ILE   4           HA       ILE   4  -3.860  -0.511  -5.248
   17    HB   ILE   4           HB       ILE   4  -4.718  -2.423  -6.636
   18   1HG1  ILE   4          HG12      ILE   4  -1.799  -2.813  -7.346
   19   2HG1  ILE   4          HG11      ILE   4  -2.704  -3.930  -6.321
   20   1HG2  ILE   4          HG21      ILE   4  -4.402  -0.170  -7.534
   21   2HG2  ILE   4          HG22      ILE   4  -4.215  -1.435  -8.733
   22   3HG2  ILE   4          HG23      ILE   4  -2.787  -0.626  -8.086
   23   1HD1  ILE   4          HD11      ILE   4  -3.196  -3.317  -9.224
   24   2HD1  ILE   4          HD12      ILE   4  -4.233  -4.344  -8.221
   25   3HD1  ILE   4          HD13      ILE   4  -2.556  -4.792  -8.509
   26    H    LEU   5           HN       LEU   5  -5.436  -2.276  -4.842
   27    HA   LEU   5           HA       LEU   5  -5.343  -2.761  -2.176
   28   1HB   LEU   5          HB2       LEU   5  -7.404  -3.965  -2.418
   29   2HB   LEU   5          HB1       LEU   5  -7.365  -2.618  -3.537
   30    HG   LEU   5           HG       LEU   5  -6.716  -5.438  -4.420
   31   1HD1  LEU   5          HD11      LEU   5  -8.970  -5.421  -3.508
   32   2HD1  LEU   5          HD12      LEU   5  -8.939  -5.627  -5.255
   33   3HD1  LEU   5          HD13      LEU   5  -9.379  -4.062  -4.572
   34   1HD2  LEU   5          HD21      LEU   5  -7.462  -4.423  -6.627
   35   2HD2  LEU   5          HD22      LEU   5  -5.896  -3.946  -6.017
   36   3HD2  LEU   5          HD23      LEU   5  -7.275  -2.844  -5.860
   37    H    HIS   6           HN       HIS   6  -3.928  -4.761  -4.584
   38    HA   HIS   6           HA       HIS   6  -2.985  -6.553  -2.454
   39   1HB   HIS   6          HB2       HIS   6  -3.519  -8.572  -3.738
   40   2HB   HIS   6          HB1       HIS   6  -4.976  -7.666  -3.369
   41    HD1  HIS   6           HD1      HIS   6  -2.716  -8.518  -6.270
   42    HD2  HIS   6           HD2      HIS   6  -6.479  -6.960  -5.535
   43    HE1  HIS   6           HE1      HIS   6  -3.818  -8.310  -8.511
   44    HE2  HIS   6           HE2      HIS   6  -6.033  -7.204  -8.054
   45    H    ASP   7           HN       ASP   7  -1.647  -4.543  -3.468
   46    HA   ASP   7           HA       ASP   7   0.262  -5.797  -5.378
   47   1HB   ASP   7          HB2       ASP   7  -0.431  -3.620  -6.053
   48   2HB   ASP   7          HB1       ASP   7  -0.056  -2.904  -4.498
   49    H    ASN   8           HN       ASN   8   1.861  -6.779  -4.574
   50    HA   ASN   8           HA       ASN   8   2.648  -6.742  -1.869
   51   1HB   ASN   8          HB2       ASN   8   4.135  -7.616  -4.355
   52   2HB   ASN   8          HB1       ASN   8   4.772  -7.855  -2.721
   53   1HD2  ASN   8          HD21      ASN   8   3.751  -9.356  -1.337
   54   2HD2  ASN   8          HD22      ASN   8   2.668 -10.536  -1.983
   55    H    CYS   9           HN       CYS   9   3.584  -5.236  -0.796
   56    HA   CYS   9           HA       CYS   9   5.038  -3.089  -2.172
   57   1HB   CYS   9          HB2       CYS   9   2.700  -2.441  -2.107
   58   2HB   CYS   9          HB1       CYS   9   2.607  -2.745  -0.383
   59    H    VAL  10           HN       VAL  10   6.410  -1.958  -1.017
   60    HA   VAL  10           HA       VAL  10   7.181  -3.041   1.637
   61    HB   VAL  10           HB       VAL  10   8.661  -1.119  -0.201
   62   1HG1  VAL  10          HG11      VAL  10   9.385  -0.670   2.022
   63   2HG1  VAL  10          HG12      VAL  10  10.581  -1.743   1.329
   64   3HG1  VAL  10          HG13      VAL  10   9.392  -2.385   2.457
   65   1HG2  VAL  10          HG21      VAL  10   8.496  -3.374  -1.156
   66   2HG2  VAL  10          HG22      VAL  10   9.160  -4.057   0.340
   67   3HG2  VAL  10          HG23      VAL  10  10.136  -2.978  -0.654
   68    H    TYR  11           HN       TYR  11   7.034  -1.918   3.406
   69    HA   TYR  11           HA       TYR  11   5.075   0.175   3.504
   70   1HB   TYR  11          HB2       TYR  11   5.369  -1.508   5.223
   71   2HB   TYR  11          HB1       TYR  11   6.905  -0.855   5.722
   72    HD1  TYR  11           HD1      TYR  11   6.916   0.973   7.266
   73    HD2  TYR  11           HD2      TYR  11   3.254  -0.182   5.430
   74    HE1  TYR  11           HE1      TYR  11   5.678   2.445   8.784
   75    HE2  TYR  11           HE2      TYR  11   2.015   1.299   6.924
   76    HH   TYR  11           HH       TYR  11   2.622   2.249   9.468
   77    H    VAL  12           HN       VAL  12   5.934   1.754   2.206
   78    HA   VAL  12           HA       VAL  12   7.804   3.555   3.662
   79    HB   VAL  12           HB       VAL  12   8.660   4.367   1.447
   80   1HG1  VAL  12          HG11      VAL  12   9.985   2.913   2.911
   81   2HG1  VAL  12          HG12      VAL  12  10.294   2.624   1.203
   82   3HG1  VAL  12          HG13      VAL  12   9.299   1.490   2.110
   83   1HG2  VAL  12          HG21      VAL  12   7.628   3.663  -0.379
   84   2HG2  VAL  12          HG22      VAL  12   6.785   2.358   0.427
   85   3HG2  VAL  12          HG23      VAL  12   8.421   2.115  -0.163
   86    HA   PRO  13           HA       PRO  13   3.739   5.556   3.244
   87   1HB   PRO  13          HB2       PRO  13   5.033   7.196   5.388
   88   2HB   PRO  13          HB1       PRO  13   3.441   6.428   5.323
   89   1HG   PRO  13          HG2       PRO  13   5.397   5.426   6.813
   90   2HG   PRO  13          HG1       PRO  13   4.274   4.351   5.954
   91   1HD   PRO  13          HD2       PRO  13   7.098   5.119   5.263
   92   2HD   PRO  13          HD1       PRO  13   6.257   3.554   5.178
   93    H    ALA  14           HN       ALA  14   6.853   7.204   3.719
   94    HA   ALA  14           HA       ALA  14   6.039   9.759   2.861
   95   1HB   ALA  14          HB1       ALA  14   8.084   9.342   4.115
   96   2HB   ALA  14          HB2       ALA  14   8.417  10.269   2.657
   97   3HB   ALA  14          HB3       ALA  14   8.814   8.540   2.728
   98    H    GLN  15           HN       GLN  15   7.477   7.044   1.168
   99    HA   GLN  15           HA       GLN  15   6.868   8.372  -1.448
  100   1HB   GLN  15          HB2       GLN  15   8.827   6.137  -0.802
  101   2HB   GLN  15          HB1       GLN  15   8.536   6.849  -2.406
  102   1HG   GLN  15          HG2       GLN  15   9.386   9.003  -1.610
  103   2HG   GLN  15          HG1       GLN  15   9.660   8.314  -0.002
  104   1HE2  GLN  15          HE21      GLN  15  11.561   9.526  -1.869
  105   2HE2  GLN  15          HE22      GLN  15  12.742   8.297  -2.152
  106    H    ASN  16           HN       ASN  16   4.837   7.352  -0.015
  107    HA   ASN  16           HA       ASN  16   4.178   4.680  -0.349
  108   1HB   ASN  16          HB2       ASN  16   2.904   6.133   1.090
  109   2HB   ASN  16          HB1       ASN  16   2.337   7.096  -0.268
  110   1HD2  ASN  16          HD21      ASN  16   0.162   6.678   0.124
  111   2HD2  ASN  16          HD22      ASN  16  -0.520   5.105  -0.084
  112    HA   PRO  17           HA       PRO  17   3.861   4.766  -4.827
  113   1HB   PRO  17          HB2       PRO  17   3.889   2.098  -5.151
  114   2HB   PRO  17          HB1       PRO  17   5.319   2.988  -4.622
  115   1HG   PRO  17          HG2       PRO  17   3.358   1.449  -2.940
  116   2HG   PRO  17          HG1       PRO  17   5.132   1.409  -2.929
  117   1HD   PRO  17          HD2       PRO  17   3.664   2.849  -1.181
  118   2HD   PRO  17          HD1       PRO  17   5.312   3.306  -1.682
  119    H    CYS  18           HN       CYS  18   1.721   3.621  -2.452
  120    HA   CYS  18           HA       CYS  18  -0.232   2.472  -4.145
  121   1HB   CYS  18          HB2       CYS  18  -0.317   3.244  -1.238
  122   2HB   CYS  18          HB1       CYS  18  -1.561   2.390  -2.076
  123    H    CYS  19           HN       CYS  19  -2.198   3.108  -4.596
  124    HA   CYS  19           HA       CYS  19  -2.528   5.877  -5.305
  125   1HB   CYS  19          HB2       CYS  19  -4.622   3.670  -5.198
  126   2HB   CYS  19          HB1       CYS  19  -4.707   5.175  -6.121
  127    H    ARG  20           HN       ARG  20  -4.329   7.152  -4.703
  128    HA   ARG  20           HA       ARG  20  -4.263   7.740  -1.946
  129   1HB   ARG  20          HB2       ARG  20  -5.928   9.423  -2.387
  130   2HB   ARG  20          HB1       ARG  20  -4.751   9.371  -3.704
  131   1HG   ARG  20          HG2       ARG  20  -6.333   8.092  -5.091
  132   2HG   ARG  20          HG1       ARG  20  -7.534   8.166  -3.798
  133   1HD   ARG  20          HD2       ARG  20  -7.515  10.598  -3.905
  134   2HD   ARG  20          HD1       ARG  20  -6.377  10.512  -5.251
  135    HE   ARG  20           HE       ARG  20  -9.144   9.397  -5.263
  136   1HH1  ARG  20          HH11      ARG  20  -6.466  10.975  -6.925
  137   2HH1  ARG  20          HH12      ARG  20  -7.345  11.137  -8.384
  138   1HH2  ARG  20          HH21      ARG  20 -10.262   9.610  -7.230
  139   2HH2  ARG  20          HH22      ARG  20  -9.492  10.371  -8.582
  140    H    GLY  21           HN       GLY  21  -5.155   6.809  -0.335
  141   1HA   GLY  21          HA2       GLY  21  -7.008   6.074   0.884
  142   2HA   GLY  21          HA1       GLY  21  -7.850   5.593  -0.577
  143    H    LEU  22           HN       LEU  22  -4.778   4.574  -1.042
  144    HA   LEU  22           HA       LEU  22  -5.309   1.907   0.108
  145   1HB   LEU  22          HB2       LEU  22  -3.496   2.838  -2.130
  146   2HB   LEU  22          HB1       LEU  22  -3.400   1.250  -1.432
  147    HG   LEU  22           HG       LEU  22  -4.611   1.174  -3.499
  148   1HD1  LEU  22          HD11      LEU  22  -5.258  -0.334  -1.578
  149   2HD1  LEU  22          HD12      LEU  22  -6.491  -0.055  -2.800
  150   3HD1  LEU  22          HD13      LEU  22  -6.599   0.781  -1.260
  151   1HD2  LEU  22          HD21      LEU  22  -5.506   3.583  -3.245
  152   2HD2  LEU  22          HD22      LEU  22  -6.804   2.851  -2.325
  153   3HD2  LEU  22          HD23      LEU  22  -6.523   2.374  -3.986
  154    H    GLN  23           HN       GLN  23  -4.114   1.060   1.538
  155    HA   GLN  23           HA       GLN  23  -1.908   2.681   2.678
  156   1HB   GLN  23          HB2       GLN  23  -3.793   2.449   4.128
  157   2HB   GLN  23          HB1       GLN  23  -3.833   0.726   4.014
  158   1HG   GLN  23          HG2       GLN  23  -2.912   1.498   6.115
  159   2HG   GLN  23          HG1       GLN  23  -1.677   0.640   5.212
  160   1HE2  GLN  23          HE21      GLN  23   0.137   1.801   4.489
  161   2HE2  GLN  23          HE22      GLN  23   0.436   3.416   4.976
  162    H    CYS  24           HN       CYS  24  -0.092   1.948   2.034
  163    HA   CYS  24           HA       CYS  24   0.399  -0.801   1.378
  164   1HB   CYS  24          HB2       CYS  24   1.645   0.863   0.216
  165   2HB   CYS  24          HB1       CYS  24   2.245   1.555   1.684
  166    H    ARG  25           HN       ARG  25   0.909  -2.340   2.627
  167    HA   ARG  25           HA       ARG  25   2.075  -1.788   5.303
  168   1HB   ARG  25          HB2       ARG  25  -0.251  -2.890   5.162
  169   2HB   ARG  25          HB1       ARG  25   0.534  -4.278   4.442
  170   1HG   ARG  25          HG2       ARG  25   0.271  -4.759   6.725
  171   2HG   ARG  25          HG1       ARG  25   1.990  -4.447   6.517
  172   1HD   ARG  25          HD2       ARG  25   1.099  -3.403   8.525
  173   2HD   ARG  25          HD1       ARG  25   1.698  -2.187   7.398
  174    HE   ARG  25           HE       ARG  25  -1.180  -2.827   7.303
  175   1HH1  ARG  25          HH11      ARG  25   1.295  -0.678   8.598
  176   2HH1  ARG  25          HH12      ARG  25   0.185   0.608   8.832
  177   1HH2  ARG  25          HH21      ARG  25  -2.609  -1.105   7.622
  178   2HH2  ARG  25          HH22      ARG  25  -2.033   0.383   8.295
  179    H    TYR  26           HN       TYR  26   3.836  -2.912   5.856
  180    HA   TYR  26           HA       TYR  26   5.674  -3.574   3.877
  181   1HB   TYR  26          HB2       TYR  26   7.039  -4.638   5.672
  182   2HB   TYR  26          HB1       TYR  26   6.485  -3.047   6.060
  183    HD1  TYR  26           HD1      TYR  26   4.443  -2.773   7.620
  184    HD2  TYR  26           HD2      TYR  26   6.601  -6.440   7.145
  185    HE1  TYR  26           HE1      TYR  26   3.548  -3.578   9.739
  186    HE2  TYR  26           HE2      TYR  26   5.700  -7.231   9.275
  187    HH   TYR  26           HH       TYR  26   4.754  -5.880  11.506
  188    H    GLY  27           HN       GLY  27   5.133  -4.899   2.393
  189   1HA   GLY  27          HA2       GLY  27   5.388  -7.353   1.946
  190   2HA   GLY  27          HA1       GLY  27   4.049  -7.593   3.061
  191    H    LYS  28           HN       LYS  28   2.306  -5.653   2.450
  192    HA   LYS  28           HA       LYS  28   1.735  -5.733  -0.424
  193   1HB   LYS  28          HB2       LYS  28  -0.370  -6.848  -0.224
  194   2HB   LYS  28          HB1       LYS  28   0.892  -7.861   0.482
  195   1HG   LYS  28          HG2       LYS  28   0.232  -7.232   2.740
  196   2HG   LYS  28          HG1       LYS  28  -0.946  -6.083   2.120
  197   1HD   LYS  28          HD2       LYS  28  -2.102  -8.027   2.790
  198   2HD   LYS  28          HD1       LYS  28  -2.197  -7.913   1.034
  199   1HE   LYS  28          HE2       LYS  28  -1.770 -10.188   1.810
  200   2HE   LYS  28          HE1       LYS  28  -0.428  -9.620   0.829
  201   1HZ   LYS  28          HZ1       LYS  28   0.919  -9.389   2.718
  202   2HZ   LYS  28          HZ2       LYS  28   0.070 -10.818   2.989
  203   3HZ   LYS  28          HZ3       LYS  28  -0.389  -9.416   3.806
  204    H    CYS  29           HN       CYS  29   0.138  -4.428  -1.082
  205    HA   CYS  29           HA       CYS  29  -0.481  -2.194   0.717
  206   1HB   CYS  29          HB2       CYS  29   0.537  -1.776  -1.514
  207   2HB   CYS  29          HB1       CYS  29  -0.889  -2.408  -2.275
  208    H    LEU  30           HN       LEU  30  -2.395  -1.865   1.476
  209    HA   LEU  30           HA       LEU  30  -4.654  -3.551   0.497
  210   1HB   LEU  30          HB2       LEU  30  -3.849  -2.872   3.345
  211   2HB   LEU  30          HB1       LEU  30  -5.381  -3.631   2.909
  212    HG   LEU  30           HG       LEU  30  -2.640  -4.844   2.464
  213   1HD1  LEU  30          HD11      LEU  30  -3.245  -4.707   4.842
  214   2HD1  LEU  30          HD12      LEU  30  -3.252  -6.360   4.242
  215   3HD1  LEU  30          HD13      LEU  30  -4.781  -5.522   4.494
  216   1HD2  LEU  30          HD21      LEU  30  -4.025  -5.742   0.790
  217   2HD2  LEU  30          HD22      LEU  30  -5.446  -5.787   1.843
  218   3HD2  LEU  30          HD23      LEU  30  -4.121  -6.906   2.100
  219    H    VAL  31           HN       VAL  31  -6.705  -2.818   1.389
  220    HA   VAL  31           HA       VAL  31  -7.116  -0.064   0.621
  221    HB   VAL  31           HB       VAL  31  -9.109  -2.046   1.787
  222   1HG1  VAL  31          HG11      VAL  31  -9.419   0.650   0.430
  223   2HG1  VAL  31          HG12      VAL  31 -10.016   0.144   2.021
  224   3HG1  VAL  31          HG13      VAL  31 -10.721  -0.527   0.565
  225   1HG2  VAL  31          HG21      VAL  31  -8.114  -2.899  -0.289
  226   2HG2  VAL  31          HG22      VAL  31  -8.527  -1.385  -1.112
  227   3HG2  VAL  31          HG23      VAL  31  -9.799  -2.438  -0.499
  228    H    GLN  32           HN       GLN  32  -6.679   1.491   1.878
  229    HA   GLN  32           HA       GLN  32  -6.141   1.299   4.634
  230   1HB   GLN  32          HB2       GLN  32  -5.407   3.094   2.982
  231   2HB   GLN  32          HB1       GLN  32  -6.984   3.835   3.185
  232   1HG   GLN  32          HG2       GLN  32  -6.560   4.059   5.611
  233   2HG   GLN  32          HG1       GLN  32  -4.953   3.389   5.401
  234   1HE2  GLN  32          HE21      GLN  32  -5.656   5.961   6.453
  235   2HE2  GLN  32          HE22      GLN  32  -4.975   7.126   5.416
  236    H    VAL  33           HN       VAL  33  -7.362   1.138   6.253
  237    HA   VAL  33           HA       VAL  33 -10.296   1.398   5.988
  238    HB   VAL  33           HB       VAL  33  -8.600   0.183   8.207
  239   1HG1  VAL  33          HG11      VAL  33 -10.678   0.807   9.177
  240   2HG1  VAL  33          HG12      VAL  33 -10.809  -0.897   8.793
  241   3HG1  VAL  33          HG13      VAL  33 -11.594   0.288   7.754
  242   1HG2  VAL  33          HG21      VAL  33  -9.333  -1.961   7.312
  243   2HG2  VAL  33          HG22      VAL  33  -8.369  -1.078   6.140
  244   3HG2  VAL  33          HG23      VAL  33 -10.130  -1.156   5.961
  245   1HG   HSL  34          HG1       HSL  34  -5.793   4.628  11.179
  246   2HG   HSL  34          HG2       HSL  34  -7.271   5.587  11.405
  247    H    HSL  34           HN       HSL  34  -7.506   2.597   7.666
  248    HA   HSL  34           HA       HSL  34  -8.943   4.567   8.792
  249   1HB   HSL  34          HB1       HSL  34  -8.383   3.730  10.823
  250   2HB   HSL  34          HB2       HSL  34  -6.918   2.952  10.212
  Start of MODEL   20
    1   1H    ALA   1           HT1      ALA   1   2.455   3.862 -12.640
    2   2H    ALA   1           HT2      ALA   1   0.995   4.696 -12.364
    3   3H    ALA   1           HT3      ALA   1   1.204   3.803 -13.779
    4    HA   ALA   1           HA       ALA   1  -0.223   2.611 -12.307
    5   1HB   ALA   1          HB1       ALA   1   2.504   1.320 -12.570
    6   2HB   ALA   1          HB2       ALA   1   1.237   1.367 -13.791
    7   3HB   ALA   1          HB3       ALA   1   0.969   0.472 -12.299
    8    H    CYS   2           HN       CYS   2  -0.888   2.918 -10.379
    9    HA   CYS   2           HA       CYS   2   0.990   3.343  -8.147
   10   1HB   CYS   2          HB2       CYS   2  -0.909   4.120  -6.926
   11   2HB   CYS   2          HB1       CYS   2  -1.011   4.812  -8.528
   12    H    GLY   3           HN       GLY   3   0.927   2.133  -6.302
   13   1HA   GLY   3          HA2       GLY   3   0.477  -0.592  -6.360
   14   2HA   GLY   3          HA1       GLY   3   0.608   0.379  -4.916
   15    H    ILE   4           HN       ILE   4  -1.194  -1.839  -5.808
   16    HA   ILE   4           HA       ILE   4  -3.836  -0.563  -5.453
   17    HB   ILE   4           HB       ILE   4  -4.755  -2.577  -6.644
   18   1HG1  ILE   4          HG12      ILE   4  -1.862  -3.006  -7.419
   19   2HG1  ILE   4          HG11      ILE   4  -2.735  -4.054  -6.290
   20   1HG2  ILE   4          HG21      ILE   4  -2.876  -0.859  -8.266
   21   2HG2  ILE   4          HG22      ILE   4  -4.496  -0.401  -7.718
   22   3HG2  ILE   4          HG23      ILE   4  -4.303  -1.740  -8.835
   23   1HD1  ILE   4          HD11      ILE   4  -4.308  -4.593  -8.122
   24   2HD1  ILE   4          HD12      ILE   4  -2.638  -5.067  -8.411
   25   3HD1  ILE   4          HD13      ILE   4  -3.288  -3.644  -9.215
   26    H    LEU   5           HN       LEU   5  -5.449  -2.123  -4.788
   27    HA   LEU   5           HA       LEU   5  -5.177  -2.587  -2.107
   28   1HB   LEU   5          HB2       LEU   5  -7.343  -3.599  -2.175
   29   2HB   LEU   5          HB1       LEU   5  -7.292  -2.256  -3.297
   30    HG   LEU   5           HG       LEU   5  -6.955  -5.118  -4.214
   31   1HD1  LEU   5          HD11      LEU   5  -9.093  -4.940  -3.074
   32   2HD1  LEU   5          HD12      LEU   5  -9.257  -5.146  -4.814
   33   3HD1  LEU   5          HD13      LEU   5  -9.511  -3.554  -4.099
   34   1HD2  LEU   5          HD21      LEU   5  -7.855  -4.031  -6.340
   35   2HD2  LEU   5          HD22      LEU   5  -6.198  -3.698  -5.901
   36   3HD2  LEU   5          HD23      LEU   5  -7.447  -2.481  -5.601
   37    H    HIS   6           HN       HIS   6  -4.064  -4.630  -4.585
   38    HA   HIS   6           HA       HIS   6  -3.184  -6.531  -2.531
   39   1HB   HIS   6          HB2       HIS   6  -3.826  -8.459  -3.963
   40   2HB   HIS   6          HB1       HIS   6  -5.207  -7.545  -3.386
   41    HD1  HIS   6           HD1      HIS   6  -3.250  -8.189  -6.559
   42    HD2  HIS   6           HD2      HIS   6  -6.892  -6.650  -5.335
   43    HE1  HIS   6           HE1      HIS   6  -4.563  -7.786  -8.656
   44    HE2  HIS   6           HE2      HIS   6  -6.684  -6.665  -7.900
   45    H    ASP   7           HN       ASP   7  -1.718  -4.586  -3.447
   46    HA   ASP   7           HA       ASP   7   0.151  -5.982  -5.316
   47   1HB   ASP   7          HB2       ASP   7  -0.627  -3.853  -6.175
   48   2HB   ASP   7          HB1       ASP   7  -0.090  -2.993  -4.754
   49    H    ASN   8           HN       ASN   8   2.072  -6.456  -4.657
   50    HA   ASN   8           HA       ASN   8   2.650  -6.273  -1.832
   51   1HB   ASN   8          HB2       ASN   8   4.252  -7.387  -4.157
   52   2HB   ASN   8          HB1       ASN   8   4.777  -7.485  -2.470
   53   1HD2  ASN   8          HD21      ASN   8   4.227  -9.640  -4.348
   54   2HD2  ASN   8          HD22      ASN   8   2.977 -10.572  -3.604
   55    H    CYS   9           HN       CYS   9   3.912  -4.949  -0.812
   56    HA   CYS   9           HA       CYS   9   5.914  -3.297  -2.082
   57   1HB   CYS   9          HB2       CYS   9   4.834  -1.149  -1.627
   58   2HB   CYS   9          HB1       CYS   9   3.833  -2.103  -2.698
   59    H    VAL  10           HN       VAL  10   6.961  -1.897  -0.628
   60    HA   VAL  10           HA       VAL  10   7.083  -3.020   2.111
   61    HB   VAL  10           HB       VAL  10   9.151  -1.674   2.356
   62   1HG1  VAL  10          HG11      VAL  10   9.267  -3.993   1.581
   63   2HG1  VAL  10          HG12      VAL  10  10.535  -2.990   0.887
   64   3HG1  VAL  10          HG13      VAL  10   9.145  -3.439  -0.099
   65   1HG2  VAL  10          HG21      VAL  10   8.714   0.189   0.850
   66   2HG2  VAL  10          HG22      VAL  10   8.659  -0.900  -0.541
   67   3HG2  VAL  10          HG23      VAL  10  10.155  -0.666   0.343
   68    H    TYR  11           HN       TYR  11   7.065  -1.745   3.878
   69    HA   TYR  11           HA       TYR  11   4.849   0.058   3.892
   70   1HB   TYR  11          HB2       TYR  11   5.070   0.081   6.278
   71   2HB   TYR  11          HB1       TYR  11   5.365  -1.519   5.722
   72    HD1  TYR  11           HD1      TYR  11   8.044  -1.990   5.197
   73    HD2  TYR  11           HD2      TYR  11   6.453   0.830   7.978
   74    HE1  TYR  11           HE1      TYR  11  10.154  -2.009   6.404
   75    HE2  TYR  11           HE2      TYR  11   8.575   0.811   9.187
   76    HH   TYR  11           HH       TYR  11  11.355  -0.131   8.056
   77    H    VAL  12           HN       VAL  12   5.719   1.588   2.390
   78    HA   VAL  12           HA       VAL  12   7.252   3.712   3.814
   79    HB   VAL  12           HB       VAL  12   8.265   4.363   1.622
   80   1HG1  VAL  12          HG11      VAL  12   9.005   1.593   2.589
   81   2HG1  VAL  12          HG12      VAL  12   9.543   3.121   3.308
   82   3HG1  VAL  12          HG13      VAL  12  10.013   2.705   1.665
   83   1HG2  VAL  12          HG21      VAL  12   6.796   3.265   0.029
   84   2HG2  VAL  12          HG22      VAL  12   7.169   1.692   0.714
   85   3HG2  VAL  12          HG23      VAL  12   8.407   2.599  -0.121
   86    HA   PRO  13           HA       PRO  13   3.018   5.110   2.483
   87   1HB   PRO  13          HB2       PRO  13   3.303   6.433   5.150
   88   2HB   PRO  13          HB1       PRO  13   1.949   5.542   4.442
   89   1HG   PRO  13          HG2       PRO  13   3.453   4.486   6.362
   90   2HG   PRO  13          HG1       PRO  13   2.819   3.478   5.045
   91   1HD   PRO  13          HD2       PRO  13   5.587   4.591   5.442
   92   2HD   PRO  13          HD1       PRO  13   5.017   3.018   4.879
   93    H    ALA  14           HN       ALA  14   5.772   6.632   4.030
   94    HA   ALA  14           HA       ALA  14   5.403   9.296   3.528
   95   1HB   ALA  14          HB1       ALA  14   7.844   9.499   3.546
   96   2HB   ALA  14          HB2       ALA  14   8.001   7.749   3.288
   97   3HB   ALA  14          HB3       ALA  14   7.276   8.366   4.768
   98    H    GLN  15           HN       GLN  15   6.655   6.807   1.406
   99    HA   GLN  15           HA       GLN  15   6.176   8.580  -0.956
  100   1HB   GLN  15          HB2       GLN  15   8.219   6.337  -0.686
  101   2HB   GLN  15          HB1       GLN  15   8.022   7.408  -2.071
  102   1HG   GLN  15          HG2       GLN  15   9.001   8.133   0.702
  103   2HG   GLN  15          HG1       GLN  15   9.952   8.006  -0.774
  104   1HE2  GLN  15          HE21      GLN  15   7.929   9.342  -2.481
  105   2HE2  GLN  15          HE22      GLN  15   7.996  10.981  -1.999
  106    H    ASN  16           HN       ASN  16   4.129   7.403   0.050
  107    HA   ASN  16           HA       ASN  16   3.598   4.736  -0.354
  108   1HB   ASN  16          HB2       ASN  16   2.158   6.392   0.825
  109   2HB   ASN  16          HB1       ASN  16   1.582   6.991  -0.711
  110   1HD2  ASN  16          HD21      ASN  16   0.063   5.823   1.466
  111   2HD2  ASN  16          HD22      ASN  16  -0.684   4.410   0.811
  112    HA   PRO  17           HA       PRO  17   3.861   4.708  -4.846
  113   1HB   PRO  17          HB2       PRO  17   3.943   2.019  -5.091
  114   2HB   PRO  17          HB1       PRO  17   5.302   2.956  -4.469
  115   1HG   PRO  17          HG2       PRO  17   3.244   1.407  -2.929
  116   2HG   PRO  17          HG1       PRO  17   5.007   1.454  -2.733
  117   1HD   PRO  17          HD2       PRO  17   3.290   2.874  -1.199
  118   2HD   PRO  17          HD1       PRO  17   4.966   3.392  -1.530
  119    H    CYS  18           HN       CYS  18   1.497   3.404  -2.730
  120    HA   CYS  18           HA       CYS  18  -0.273   2.410  -4.714
  121   1HB   CYS  18          HB2       CYS  18  -0.752   2.906  -1.783
  122   2HB   CYS  18          HB1       CYS  18  -1.778   1.991  -2.874
  123    H    CYS  19           HN       CYS  19  -2.398   3.083  -5.034
  124    HA   CYS  19           HA       CYS  19  -2.647   5.912  -5.422
  125   1HB   CYS  19          HB2       CYS  19  -4.474   3.558  -5.688
  126   2HB   CYS  19          HB1       CYS  19  -5.204   5.162  -5.650
  127    H    ARG  20           HN       ARG  20  -3.809   7.368  -4.403
  128    HA   ARG  20           HA       ARG  20  -3.606   7.318  -1.571
  129   1HB   ARG  20          HB2       ARG  20  -5.112   9.217  -3.413
  130   2HB   ARG  20          HB1       ARG  20  -4.849   9.526  -1.693
  131   1HG   ARG  20          HG2       ARG  20  -2.728   9.276  -3.845
  132   2HG   ARG  20          HG1       ARG  20  -3.288  10.750  -3.054
  133   1HD   ARG  20          HD2       ARG  20  -2.436  10.042  -0.933
  134   2HD   ARG  20          HD1       ARG  20  -1.998   8.444  -1.562
  135    HE   ARG  20           HE       ARG  20  -0.632  10.281  -3.125
  136   1HH1  ARG  20          HH11      ARG  20  -0.735   9.342   0.272
  137   2HH1  ARG  20          HH12      ARG  20   0.926   9.708   0.518
  138   1HH2  ARG  20          HH21      ARG  20   1.541  10.748  -2.756
  139   2HH2  ARG  20          HH22      ARG  20   2.228  10.506  -1.184
  140    H    GLY  21           HN       GLY  21  -4.726   6.438  -0.173
  141   1HA   GLY  21          HA2       GLY  21  -6.958   6.177   0.791
  142   2HA   GLY  21          HA1       GLY  21  -7.556   5.680  -0.786
  143    H    LEU  22           HN       LEU  22  -4.629   4.421  -0.857
  144    HA   LEU  22           HA       LEU  22  -5.448   1.873   0.422
  145   1HB   LEU  22          HB2       LEU  22  -3.462   2.402  -1.783
  146   2HB   LEU  22          HB1       LEU  22  -3.870   0.816  -1.135
  147    HG   LEU  22           HG       LEU  22  -5.765   2.659  -2.620
  148   1HD1  LEU  22          HD11      LEU  22  -4.249   0.215  -3.469
  149   2HD1  LEU  22          HD12      LEU  22  -4.171   1.829  -4.167
  150   3HD1  LEU  22          HD13      LEU  22  -5.626   0.856  -4.350
  151   1HD2  LEU  22          HD21      LEU  22  -7.035   1.327  -1.076
  152   2HD2  LEU  22          HD22      LEU  22  -6.119  -0.133  -1.486
  153   3HD2  LEU  22          HD23      LEU  22  -7.190   0.608  -2.670
  154    H    GLN  23           HN       GLN  23  -4.216   0.876   1.767
  155    HA   GLN  23           HA       GLN  23  -1.995   2.418   2.979
  156   1HB   GLN  23          HB2       GLN  23  -3.822   2.017   4.445
  157   2HB   GLN  23          HB1       GLN  23  -3.870   0.298   4.084
  158   1HG   GLN  23          HG2       GLN  23  -1.630   0.099   5.166
  159   2HG   GLN  23          HG1       GLN  23  -1.669   1.818   5.524
  160   1HE2  GLN  23          HE21      GLN  23  -1.487   1.374   7.744
  161   2HE2  GLN  23          HE22      GLN  23  -2.841   0.763   8.626
  162    H    CYS  24           HN       CYS  24  -0.257   1.839   1.959
  163    HA   CYS  24           HA       CYS  24   0.374  -0.877   1.248
  164   1HB   CYS  24          HB2       CYS  24   1.261   0.824  -0.118
  165   2HB   CYS  24          HB1       CYS  24   1.970   1.661   1.225
  166    H    ARG  25           HN       ARG  25   0.552  -2.253   2.786
  167    HA   ARG  25           HA       ARG  25   2.154  -1.567   5.206
  168   1HB   ARG  25          HB2       ARG  25   0.333  -3.937   4.617
  169   2HB   ARG  25          HB1       ARG  25   1.193  -3.629   6.139
  170   1HG   ARG  25          HG2       ARG  25  -0.119  -1.566   6.452
  171   2HG   ARG  25          HG1       ARG  25  -0.973  -1.891   4.934
  172   1HD   ARG  25          HD2       ARG  25  -2.304  -2.568   6.805
  173   2HD   ARG  25          HD1       ARG  25  -1.825  -3.987   5.866
  174    HE   ARG  25           HE       ARG  25   0.055  -3.589   7.959
  175   1HH1  ARG  25          HH11      ARG  25  -3.321  -4.483   7.570
  176   2HH1  ARG  25          HH12      ARG  25  -3.312  -5.483   8.969
  177   1HH2  ARG  25          HH21      ARG  25   0.042  -4.915   9.775
  178   2HH2  ARG  25          HH22      ARG  25  -1.413  -5.737  10.233
  179    H    TYR  26           HN       TYR  26   3.757  -2.878   5.870
  180    HA   TYR  26           HA       TYR  26   5.671  -3.523   3.969
  181   1HB   TYR  26          HB2       TYR  26   6.318  -3.227   6.251
  182   2HB   TYR  26          HB1       TYR  26   5.341  -4.561   6.796
  183    HD1  TYR  26           HD1      TYR  26   8.206  -3.772   4.499
  184    HD2  TYR  26           HD2      TYR  26   6.398  -6.632   7.114
  185    HE1  TYR  26           HE1      TYR  26  10.150  -5.225   4.259
  186    HE2  TYR  26           HE2      TYR  26   8.283  -8.146   6.745
  187    HH   TYR  26           HH       TYR  26  11.130  -7.218   5.955
  188    H    GLY  27           HN       GLY  27   5.220  -4.749   2.363
  189   1HA   GLY  27          HA2       GLY  27   5.497  -7.027   1.626
  190   2HA   GLY  27          HA1       GLY  27   4.342  -7.552   2.838
  191    H    LYS  28           HN       LYS  28   2.359  -5.657   2.555
  192    HA   LYS  28           HA       LYS  28   1.419  -6.011  -0.219
  193   1HB   LYS  28          HB2       LYS  28   0.853  -8.047   1.000
  194   2HB   LYS  28          HB1       LYS  28   0.038  -7.110   2.257
  195   1HG   LYS  28          HG2       LYS  28  -1.572  -6.298   0.493
  196   2HG   LYS  28          HG1       LYS  28  -0.757  -7.388  -0.657
  197   1HD   LYS  28          HD2       LYS  28  -1.375  -9.312   0.691
  198   2HD   LYS  28          HD1       LYS  28  -2.072  -8.261   1.939
  199   1HE   LYS  28          HE2       LYS  28  -3.696  -7.448   0.229
  200   2HE   LYS  28          HE1       LYS  28  -3.034  -8.623  -0.894
  201   1HZ   LYS  28          HZ1       LYS  28  -4.317  -9.275   1.711
  202   2HZ   LYS  28          HZ2       LYS  28  -3.691 -10.397   0.593
  203   3HZ   LYS  28          HZ3       LYS  28  -5.007  -9.427   0.176
  204    H    CYS  29           HN       CYS  29   0.238  -4.493  -0.895
  205    HA   CYS  29           HA       CYS  29  -0.530  -2.275   0.821
  206   1HB   CYS  29          HB2       CYS  29   0.527  -1.944  -1.426
  207   2HB   CYS  29          HB1       CYS  29  -0.886  -2.585  -2.167
  208    H    LEU  30           HN       LEU  30  -2.380  -2.130   1.706
  209    HA   LEU  30           HA       LEU  30  -4.674  -3.697   0.619
  210   1HB   LEU  30          HB2       LEU  30  -3.881  -2.976   3.454
  211   2HB   LEU  30          HB1       LEU  30  -5.483  -3.590   3.046
  212    HG   LEU  30           HG       LEU  30  -2.893  -5.101   2.585
  213   1HD1  LEU  30          HD11      LEU  30  -3.447  -4.742   4.988
  214   2HD1  LEU  30          HD12      LEU  30  -3.487  -6.415   4.471
  215   3HD1  LEU  30          HD13      LEU  30  -4.997  -5.539   4.712
  216   1HD2  LEU  30          HD21      LEU  30  -5.814  -5.847   2.272
  217   2HD2  LEU  30          HD22      LEU  30  -4.486  -6.996   2.311
  218   3HD2  LEU  30          HD23      LEU  30  -4.569  -5.814   1.016
  219    H    VAL  31           HN       VAL  31  -6.752  -2.862   1.419
  220    HA   VAL  31           HA       VAL  31  -6.986  -0.083   0.609
  221    HB   VAL  31           HB       VAL  31  -9.164  -1.941   1.625
  222   1HG1  VAL  31          HG11      VAL  31  -9.216   0.694   0.117
  223   2HG1  VAL  31          HG12      VAL  31  -9.914   0.338   1.706
  224   3HG1  VAL  31          HG13      VAL  31 -10.593  -0.392   0.267
  225   1HG2  VAL  31          HG21      VAL  31  -8.062  -2.941  -0.307
  226   2HG2  VAL  31          HG22      VAL  31  -8.273  -1.438  -1.223
  227   3HG2  VAL  31          HG23      VAL  31  -9.676  -2.367  -0.706
  228    H    GLN  32           HN       GLN  32  -6.723   1.483   1.902
  229    HA   GLN  32           HA       GLN  32  -6.575   1.243   4.759
  230   1HB   GLN  32          HB2       GLN  32  -5.400   2.925   3.211
  231   2HB   GLN  32          HB1       GLN  32  -6.896   3.828   3.157
  232   1HG   GLN  32          HG2       GLN  32  -5.299   3.192   5.657
  233   2HG   GLN  32          HG1       GLN  32  -5.273   4.709   4.766
  234   1HE2  GLN  32          HE21      GLN  32  -7.096   6.101   4.849
  235   2HE2  GLN  32          HE22      GLN  32  -8.276   5.906   6.095
  236    H    VAL  33           HN       VAL  33  -8.425   0.429   5.496
  237    HA   VAL  33           HA       VAL  33 -10.966   1.894   4.941
  238    HB   VAL  33           HB       VAL  33 -10.610  -0.861   6.171
  239   1HG1  VAL  33          HG11      VAL  33 -13.035   0.773   5.370
  240   2HG1  VAL  33          HG12      VAL  33 -12.665   0.047   6.944
  241   3HG1  VAL  33          HG13      VAL  33 -13.070  -0.975   5.581
  242   1HG2  VAL  33          HG21      VAL  33 -11.531  -1.666   4.025
  243   2HG2  VAL  33          HG22      VAL  33  -9.934  -0.987   3.883
  244   3HG2  VAL  33          HG23      VAL  33 -11.328  -0.056   3.342
  245   1HG   HSL  34          HG1       HSL  34  -9.824   6.550   9.071
  246   2HG   HSL  34          HG2       HSL  34  -9.905   5.581  10.557
  247    H    HSL  34           HN       HSL  34 -11.024   3.502   6.274
  248    HA   HSL  34           HA       HSL  34 -11.131   2.826   9.303
  249   1HB   HSL  34          HB1       HSL  34  -9.127   3.886   9.313
  250   2HB   HSL  34          HB2       HSL  34  -9.456   4.743   7.803
  Start of MODEL   21
    1   1H    ALA   1           HT1      ALA   1   0.350   1.622 -13.811
    2   2H    ALA   1           HT2      ALA   1   1.726   1.955 -12.887
    3   3H    ALA   1           HT3      ALA   1   0.301   2.862 -12.666
    4    HA   ALA   1           HA       ALA   1  -0.877   0.888 -11.913
    5   1HB   ALA   1          HB1       ALA   1   0.333  -1.196 -11.476
    6   2HB   ALA   1          HB2       ALA   1   1.814  -0.484 -12.149
    7   3HB   ALA   1          HB3       ALA   1   0.406  -0.738 -13.174
    8    H    CYS   2           HN       CYS   2  -1.253   1.994 -10.171
    9    HA   CYS   2           HA       CYS   2   0.849   2.699  -8.251
   10   1HB   CYS   2          HB2       CYS   2  -0.878   3.823  -7.045
   11   2HB   CYS   2          HB1       CYS   2  -1.177   4.133  -8.750
   12    H    GLY   3           HN       GLY   3   0.663   2.048  -6.064
   13   1HA   GLY   3          HA2       GLY   3   0.388  -0.634  -5.535
   14   2HA   GLY   3          HA1       GLY   3   0.375   0.595  -4.329
   15    H    ILE   4           HN       ILE   4  -1.298  -1.842  -5.487
   16    HA   ILE   4           HA       ILE   4  -3.968  -0.794  -4.815
   17    HB   ILE   4           HB       ILE   4  -4.870  -2.647  -6.243
   18   1HG1  ILE   4          HG12      ILE   4  -2.004  -2.864  -7.202
   19   2HG1  ILE   4          HG11      ILE   4  -2.782  -4.081  -6.180
   20   1HG2  ILE   4          HG21      ILE   4  -4.702  -0.332  -7.032
   21   2HG2  ILE   4          HG22      ILE   4  -4.546  -1.511  -8.319
   22   3HG2  ILE   4          HG23      ILE   4  -3.110  -0.679  -7.715
   23   1HD1  ILE   4          HD11      ILE   4  -3.499  -3.312  -8.995
   24   2HD1  ILE   4          HD12      ILE   4  -4.442  -4.425  -7.989
   25   3HD1  ILE   4          HD13      ILE   4  -2.777  -4.808  -8.415
   26    H    LEU   5           HN       LEU   5  -5.416  -2.857  -4.419
   27    HA   LEU   5           HA       LEU   5  -4.711  -3.290  -1.723
   28   1HB   LEU   5          HB2       LEU   5  -6.931  -4.212  -1.450
   29   2HB   LEU   5          HB1       LEU   5  -6.933  -2.739  -2.378
   30    HG   LEU   5           HG       LEU   5  -6.763  -4.882  -4.279
   31   1HD1  LEU   5          HD11      LEU   5  -7.652  -6.325  -2.494
   32   2HD1  LEU   5          HD12      LEU   5  -8.783  -6.078  -3.818
   33   3HD1  LEU   5          HD13      LEU   5  -9.022  -5.216  -2.300
   34   1HD2  LEU   5          HD21      LEU   5  -9.045  -3.021  -3.599
   35   2HD2  LEU   5          HD22      LEU   5  -8.809  -3.938  -5.085
   36   3HD2  LEU   5          HD23      LEU   5  -7.692  -2.641  -4.680
   37    H    HIS   6           HN       HIS   6  -3.552  -4.947  -4.183
   38    HA   HIS   6           HA       HIS   6  -2.729  -7.052  -2.370
   39   1HB   HIS   6          HB2       HIS   6  -3.282  -8.871  -3.993
   40   2HB   HIS   6          HB1       HIS   6  -4.691  -8.093  -3.299
   41    HD1  HIS   6           HD1      HIS   6  -2.679  -7.953  -6.544
   42    HD2  HIS   6           HD2      HIS   6  -6.533  -7.333  -5.107
   43    HE1  HIS   6           HE1      HIS   6  -4.077  -7.464  -8.557
   44    HE2  HIS   6           HE2      HIS   6  -6.386  -7.011  -7.666
   45    H    ASP   7           HN       ASP   7  -1.543  -4.787  -3.517
   46    HA   ASP   7           HA       ASP   7   0.331  -5.951  -5.510
   47   1HB   ASP   7          HB2       ASP   7  -0.639  -3.878  -6.182
   48   2HB   ASP   7          HB1       ASP   7  -0.192  -3.069  -4.698
   49    H    ASN   8           HN       ASN   8   2.240  -6.477  -4.951
   50    HA   ASN   8           HA       ASN   8   3.162  -6.502  -2.297
   51   1HB   ASN   8          HB2       ASN   8   5.292  -7.283  -3.156
   52   2HB   ASN   8          HB1       ASN   8   3.979  -8.040  -4.045
   53   1HD2  ASN   8          HD21      ASN   8   3.594  -7.445  -6.218
   54   2HD2  ASN   8          HD22      ASN   8   4.817  -6.631  -7.122
   55    H    CYS   9           HN       CYS   9   3.831  -4.973  -1.111
   56    HA   CYS   9           HA       CYS   9   5.122  -2.581  -2.234
   57   1HB   CYS   9          HB2       CYS   9   2.696  -2.150  -2.135
   58   2HB   CYS   9          HB1       CYS   9   2.680  -2.505  -0.416
   59    H    VAL  10           HN       VAL  10   6.620  -1.813  -1.086
   60    HA   VAL  10           HA       VAL  10   7.247  -3.002   1.552
   61    HB   VAL  10           HB       VAL  10   9.412  -1.808   1.333
   62   1HG1  VAL  10          HG11      VAL  10   9.195  -4.114   0.533
   63   2HG1  VAL  10          HG12      VAL  10  10.342  -3.179  -0.419
   64   3HG1  VAL  10          HG13      VAL  10   8.740  -3.515  -1.072
   65   1HG2  VAL  10          HG21      VAL  10   8.786   0.116  -0.019
   66   2HG2  VAL  10          HG22      VAL  10   8.329  -0.930  -1.369
   67   3HG2  VAL  10          HG23      VAL  10  10.001  -0.824  -0.858
   68    H    TYR  11           HN       TYR  11   7.450  -1.823   3.301
   69    HA   TYR  11           HA       TYR  11   5.500   0.142   3.739
   70   1HB   TYR  11          HB2       TYR  11   6.453   0.315   6.036
   71   2HB   TYR  11          HB1       TYR  11   6.147  -1.328   5.502
   72    HD1  TYR  11           HD1      TYR  11   8.593   0.857   6.910
   73    HD2  TYR  11           HD2      TYR  11   8.161  -2.689   4.551
   74    HE1  TYR  11           HE1      TYR  11  10.885   0.196   7.452
   75    HE2  TYR  11           HE2      TYR  11  10.450  -3.320   5.086
   76    HH   TYR  11           HH       TYR  11  12.666  -1.845   5.852
   77    H    VAL  12           HN       VAL  12   5.989   1.623   2.101
   78    HA   VAL  12           HA       VAL  12   7.811   3.754   3.086
   79    HB   VAL  12           HB       VAL  12   8.097   4.467   0.722
   80   1HG1  VAL  12          HG11      VAL  12   9.247   1.780   1.410
   81   2HG1  VAL  12          HG12      VAL  12   9.874   3.350   1.947
   82   3HG1  VAL  12          HG13      VAL  12   9.881   2.934   0.237
   83   1HG2  VAL  12          HG21      VAL  12   7.692   3.020  -1.079
   84   2HG2  VAL  12          HG22      VAL  12   6.180   3.032  -0.210
   85   3HG2  VAL  12          HG23      VAL  12   7.282   1.685  -0.040
   86    HA   PRO  13           HA       PRO  13   3.604   5.460   3.062
   87   1HB   PRO  13          HB2       PRO  13   4.050   7.109   5.192
   88   2HB   PRO  13          HB1       PRO  13   3.622   5.406   5.341
   89   1HG   PRO  13          HG2       PRO  13   6.303   6.690   5.608
   90   2HG   PRO  13          HG1       PRO  13   5.568   5.386   6.548
   91   1HD   PRO  13          HD2       PRO  13   7.401   4.999   4.586
   92   2HD   PRO  13          HD1       PRO  13   6.204   3.772   5.077
   93    H    ALA  14           HN       ALA  14   6.639   7.181   3.661
   94    HA   ALA  14           HA       ALA  14   5.759   9.721   2.707
   95   1HB   ALA  14          HB1       ALA  14   8.094  10.363   3.004
   96   2HB   ALA  14          HB2       ALA  14   8.550   8.663   3.238
   97   3HB   ALA  14          HB3       ALA  14   7.492   9.465   4.393
   98    H    GLN  15           HN       GLN  15   6.618   6.856   1.248
   99    HA   GLN  15           HA       GLN  15   6.915   8.171  -1.370
  100   1HB   GLN  15          HB2       GLN  15   9.095   7.430  -0.471
  101   2HB   GLN  15          HB1       GLN  15   8.494   5.805  -0.309
  102   1HG   GLN  15          HG2       GLN  15   8.173   5.707  -2.792
  103   2HG   GLN  15          HG1       GLN  15   8.828   7.341  -2.882
  104   1HE2  GLN  15          HE21      GLN  15   9.523   3.967  -2.240
  105   2HE2  GLN  15          HE22      GLN  15  11.236   4.139  -2.383
  106    H    ASN  16           HN       ASN  16   4.606   7.331  -0.160
  107    HA   ASN  16           HA       ASN  16   3.840   4.681  -0.587
  108   1HB   ASN  16          HB2       ASN  16   2.585   6.253   0.791
  109   2HB   ASN  16          HB1       ASN  16   2.091   7.162  -0.629
  110   1HD2  ASN  16          HD21      ASN  16   1.599   4.329   1.309
  111   2HD2  ASN  16          HD22      ASN  16   0.209   3.766   0.452
  112    HA   PRO  17           HA       PRO  17   3.715   4.852  -5.091
  113   1HB   PRO  17          HB2       PRO  17   3.887   2.220  -5.471
  114   2HB   PRO  17          HB1       PRO  17   5.243   3.120  -4.782
  115   1HG   PRO  17          HG2       PRO  17   3.167   1.491  -3.324
  116   2HG   PRO  17          HG1       PRO  17   4.934   1.464  -3.174
  117   1HD   PRO  17          HD2       PRO  17   3.302   2.856  -1.508
  118   2HD   PRO  17          HD1       PRO  17   4.994   3.293  -1.845
  119    H    CYS  18           HN       CYS  18   1.532   3.771  -2.799
  120    HA   CYS  18           HA       CYS  18  -0.363   2.478  -4.446
  121   1HB   CYS  18          HB2       CYS  18  -0.551   3.459  -1.624
  122   2HB   CYS  18          HB1       CYS  18  -1.731   2.456  -2.421
  123    H    CYS  19           HN       CYS  19  -2.461   3.087  -4.822
  124    HA   CYS  19           HA       CYS  19  -2.787   5.882  -5.461
  125   1HB   CYS  19          HB2       CYS  19  -4.624   3.499  -5.484
  126   2HB   CYS  19          HB1       CYS  19  -5.283   5.122  -5.704
  127    H    ARG  20           HN       ARG  20  -3.696   7.405  -4.409
  128    HA   ARG  20           HA       ARG  20  -3.418   7.380  -1.591
  129   1HB   ARG  20          HB2       ARG  20  -4.867   9.385  -3.365
  130   2HB   ARG  20          HB1       ARG  20  -4.405   9.677  -1.684
  131   1HG   ARG  20          HG2       ARG  20  -2.612   9.321  -4.083
  132   2HG   ARG  20          HG1       ARG  20  -2.833  10.749  -3.072
  133   1HD   ARG  20          HD2       ARG  20  -1.881   9.492  -1.149
  134   2HD   ARG  20          HD1       ARG  20  -1.557   8.145  -2.239
  135    HE   ARG  20           HE       ARG  20  -0.368  10.846  -2.557
  136   1HH1  ARG  20          HH11      ARG  20  -0.049   7.328  -2.620
  137   2HH1  ARG  20          HH12      ARG  20   1.589   7.421  -3.043
  138   1HH2  ARG  20          HH21      ARG  20   1.835  10.878  -3.054
  139   2HH2  ARG  20          HH22      ARG  20   2.706   9.391  -3.237
  140    H    GLY  21           HN       GLY  21  -4.522   6.400  -0.247
  141   1HA   GLY  21          HA2       GLY  21  -6.823   6.462   0.787
  142   2HA   GLY  21          HA1       GLY  21  -7.416   5.866  -0.759
  143    H    LEU  22           HN       LEU  22  -4.739   4.385  -0.958
  144    HA   LEU  22           HA       LEU  22  -5.550   2.048   0.681
  145   1HB   LEU  22          HB2       LEU  22  -3.881   2.267  -1.842
  146   2HB   LEU  22          HB1       LEU  22  -4.051   0.792  -0.895
  147    HG   LEU  22           HG       LEU  22  -6.538   0.908  -1.325
  148   1HD1  LEU  22          HD11      LEU  22  -5.690   3.113  -3.195
  149   2HD1  LEU  22          HD12      LEU  22  -6.907   3.167  -1.922
  150   3HD1  LEU  22          HD13      LEU  22  -7.186   2.209  -3.345
  151   1HD2  LEU  22          HD21      LEU  22  -6.370  -0.037  -3.512
  152   2HD2  LEU  22          HD22      LEU  22  -5.012  -0.594  -2.543
  153   3HD2  LEU  22          HD23      LEU  22  -4.780   0.681  -3.753
  154    H    GLN  23           HN       GLN  23  -4.274   1.131   2.038
  155    HA   GLN  23           HA       GLN  23  -1.908   2.660   2.909
  156   1HB   GLN  23          HB2       GLN  23  -3.600   2.091   4.525
  157   2HB   GLN  23          HB1       GLN  23  -3.438   0.392   4.251
  158   1HG   GLN  23          HG2       GLN  23  -0.971   0.775   5.003
  159   2HG   GLN  23          HG1       GLN  23  -1.549   2.353   5.542
  160   1HE2  GLN  23          HE21      GLN  23  -0.429   0.106   7.053
  161   2HE2  GLN  23          HE22      GLN  23  -1.645  -0.288   8.215
  162    H    CYS  24           HN       CYS  24   0.045   1.992   2.638
  163    HA   CYS  24           HA       CYS  24   0.566  -0.652   1.466
  164   1HB   CYS  24          HB2       CYS  24   1.717   1.190   0.457
  165   2HB   CYS  24          HB1       CYS  24   2.385   1.697   1.984
  166    H    ARG  25           HN       ARG  25   0.654  -2.230   2.748
  167    HA   ARG  25           HA       ARG  25   1.782  -1.890   5.488
  168   1HB   ARG  25          HB2       ARG  25  -0.505  -2.595   5.480
  169   2HB   ARG  25          HB1       ARG  25  -0.190  -3.867   4.297
  170   1HG   ARG  25          HG2       ARG  25   1.137  -5.105   5.946
  171   2HG   ARG  25          HG1       ARG  25   0.943  -3.789   7.118
  172   1HD   ARG  25          HD2       ARG  25  -1.305  -4.245   7.426
  173   2HD   ARG  25          HD1       ARG  25  -1.446  -5.146   5.903
  174    HE   ARG  25           HE       ARG  25   0.368  -6.511   7.558
  175   1HH1  ARG  25          HH11      ARG  25  -3.042  -5.657   7.566
  176   2HH1  ARG  25          HH12      ARG  25  -3.511  -7.145   8.290
  177   1HH2  ARG  25          HH21      ARG  25  -0.275  -8.450   8.503
  178   2HH2  ARG  25          HH22      ARG  25  -1.951  -8.739   8.833
  179    H    TYR  26           HN       TYR  26   3.116  -3.435   6.254
  180    HA   TYR  26           HA       TYR  26   5.326  -4.099   4.790
  181   1HB   TYR  26          HB2       TYR  26   4.176  -5.441   7.248
  182   2HB   TYR  26          HB1       TYR  26   5.754  -5.879   6.587
  183    HD1  TYR  26           HD1      TYR  26   3.821  -2.878   7.767
  184    HD2  TYR  26           HD2      TYR  26   7.646  -4.756   7.372
  185    HE1  TYR  26           HE1      TYR  26   4.842  -1.066   9.039
  186    HE2  TYR  26           HE2      TYR  26   8.650  -2.961   8.691
  187    HH   TYR  26           HH       TYR  26   7.134  -0.943  10.590
  188    H    GLY  27           HN       GLY  27   5.012  -4.939   2.864
  189   1HA   GLY  27          HA2       GLY  27   5.375  -7.145   1.880
  190   2HA   GLY  27          HA1       GLY  27   3.968  -7.740   2.739
  191    H    LYS  28           HN       LYS  28   2.172  -5.673   2.325
  192    HA   LYS  28           HA       LYS  28   1.899  -5.427  -0.594
  193   1HB   LYS  28          HB2       LYS  28  -0.169  -6.591  -0.737
  194   2HB   LYS  28          HB1       LYS  28   0.985  -7.657   0.066
  195   1HG   LYS  28          HG2       LYS  28   0.031  -7.298   2.201
  196   2HG   LYS  28          HG1       LYS  28  -0.999  -5.974   1.628
  197   1HD   LYS  28          HD2       LYS  28  -2.186  -7.602   0.150
  198   2HD   LYS  28          HD1       LYS  28  -1.233  -8.900   0.895
  199   1HE   LYS  28          HE2       LYS  28  -2.165  -8.308   3.092
  200   2HE   LYS  28          HE1       LYS  28  -3.115  -7.016   2.339
  201   1HZ   LYS  28          HZ1       LYS  28  -4.415  -8.986   2.699
  202   2HZ   LYS  28          HZ2       LYS  28  -3.375  -9.930   1.764
  203   3HZ   LYS  28          HZ3       LYS  28  -4.290  -8.691   1.040
  204    H    CYS  29           HN       CYS  29   0.324  -4.099  -1.272
  205    HA   CYS  29           HA       CYS  29  -0.514  -2.043   0.641
  206   1HB   CYS  29          HB2       CYS  29   0.499  -1.533  -1.610
  207   2HB   CYS  29          HB1       CYS  29  -0.955  -2.108  -2.359
  208    H    LEU  30           HN       LEU  30  -2.611  -1.533   0.989
  209    HA   LEU  30           HA       LEU  30  -4.745  -3.212  -0.060
  210   1HB   LEU  30          HB2       LEU  30  -5.520  -3.816   2.243
  211   2HB   LEU  30          HB1       LEU  30  -4.089  -4.626   1.649
  212    HG   LEU  30           HG       LEU  30  -2.717  -2.893   2.986
  213   1HD1  LEU  30          HD11      LEU  30  -4.284  -1.236   3.544
  214   2HD1  LEU  30          HD12      LEU  30  -3.989  -2.107   5.025
  215   3HD1  LEU  30          HD13      LEU  30  -5.474  -2.398   4.123
  216   1HD2  LEU  30          HD21      LEU  30  -3.046  -4.170   5.070
  217   2HD2  LEU  30          HD22      LEU  30  -2.784  -5.180   3.656
  218   3HD2  LEU  30          HD23      LEU  30  -4.411  -5.000   4.338
  219    H    VAL  31           HN       VAL  31  -6.791  -2.578   0.567
  220    HA   VAL  31           HA       VAL  31  -7.079   0.290   0.491
  221    HB   VAL  31           HB       VAL  31  -9.555  -0.218   0.601
  222   1HG1  VAL  31          HG11      VAL  31  -7.748  -1.274  -1.513
  223   2HG1  VAL  31          HG12      VAL  31  -8.817   0.113  -1.519
  224   3HG1  VAL  31          HG13      VAL  31  -9.486  -1.507  -1.638
  225   1HG2  VAL  31          HG21      VAL  31  -9.481  -2.348   1.845
  226   2HG2  VAL  31          HG22      VAL  31  -8.609  -3.096   0.505
  227   3HG2  VAL  31          HG23      VAL  31 -10.249  -2.525   0.284
  228    H    GLN  32           HN       GLN  32  -6.983   1.565   2.083
  229    HA   GLN  32           HA       GLN  32  -6.919   0.563   4.818
  230   1HB   GLN  32          HB2       GLN  32  -5.411   2.335   3.786
  231   2HB   GLN  32          HB1       GLN  32  -6.747   3.451   3.871
  232   1HG   GLN  32          HG2       GLN  32  -6.855   3.150   6.322
  233   2HG   GLN  32          HG1       GLN  32  -5.491   2.030   6.239
  234   1HE2  GLN  32          HE21      GLN  32  -5.734   4.539   7.707
  235   2HE2  GLN  32          HE22      GLN  32  -4.455   5.533   7.109
  236    H    VAL  33           HN       VAL  33  -9.218  -0.104   4.148
  237    HA   VAL  33           HA       VAL  33 -11.229   2.009   4.603
  238    HB   VAL  33           HB       VAL  33 -12.878   0.416   3.780
  239   1HG1  VAL  33          HG11      VAL  33 -11.997   0.118   1.439
  240   2HG1  VAL  33          HG12      VAL  33 -10.481   0.818   2.003
  241   3HG1  VAL  33          HG13      VAL  33 -11.972   1.755   2.082
  242   1HG2  VAL  33          HG21      VAL  33 -12.077  -1.716   4.492
  243   2HG2  VAL  33          HG22      VAL  33 -10.552  -1.529   3.621
  244   3HG2  VAL  33          HG23      VAL  33 -12.053  -1.734   2.741
  245   1HG   HSL  34          HG1       HSL  34 -14.839   2.418   9.654
  246   2HG   HSL  34          HG2       HSL  34 -13.830   1.426  10.728
  247    H    HSL  34           HN       HSL  34 -12.772   1.774   6.103
  248    HA   HSL  34           HA       HSL  34 -12.057  -0.128   8.469
  249   1HB   HSL  34          HB1       HSL  34 -12.129   1.953   9.366
  250   2HB   HSL  34          HB2       HSL  34 -13.220   2.564   8.116
  Start of MODEL   22
    1   1H    ALA   1           HT1      ALA   1   4.286   3.242 -11.323
    2   2H    ALA   1           HT2      ALA   1   2.889   3.857 -12.080
    3   3H    ALA   1           HT3      ALA   1   3.829   2.694 -12.858
    4    HA   ALA   1           HA       ALA   1   1.856   1.674 -12.023
    5   1HB   ALA   1          HB1       ALA   1   3.895   0.365 -12.118
    6   2HB   ALA   1          HB2       ALA   1   2.894  -0.161 -10.770
    7   3HB   ALA   1          HB3       ALA   1   4.329   0.844 -10.480
    8    H    CYS   2           HN       CYS   2   0.255   2.238 -10.842
    9    HA   CYS   2           HA       CYS   2   0.637   3.419  -8.180
   10   1HB   CYS   2          HB2       CYS   2  -1.046   4.222  -9.901
   11   2HB   CYS   2          HB1       CYS   2  -2.002   2.791  -9.551
   12    H    GLY   3           HN       GLY   3   0.642   2.287  -6.456
   13   1HA   GLY   3          HA2       GLY   3   0.419  -0.508  -6.329
   14   2HA   GLY   3          HA1       GLY   3   0.490   0.596  -4.968
   15    H    ILE   4           HN       ILE   4  -1.252  -1.766  -5.998
   16    HA   ILE   4           HA       ILE   4  -3.900  -0.565  -5.413
   17    HB   ILE   4           HB       ILE   4  -4.872  -2.531  -6.626
   18   1HG1  ILE   4          HG12      ILE   4  -2.001  -2.926  -7.545
   19   2HG1  ILE   4          HG11      ILE   4  -2.880  -4.037  -6.489
   20   1HG2  ILE   4          HG21      ILE   4  -3.088  -0.748  -8.312
   21   2HG2  ILE   4          HG22      ILE   4  -4.658  -0.294  -7.633
   22   3HG2  ILE   4          HG23      ILE   4  -4.564  -1.588  -8.812
   23   1HD1  ILE   4          HD11      ILE   4  -4.504  -4.388  -8.337
   24   2HD1  ILE   4          HD12      ILE   4  -2.853  -4.902  -8.668
   25   3HD1  ILE   4          HD13      ILE   4  -3.452  -3.404  -9.370
   26    H    LEU   5           HN       LEU   5  -5.404  -2.062  -4.582
   27    HA   LEU   5           HA       LEU   5  -4.762  -2.638  -1.965
   28   1HB   LEU   5          HB2       LEU   5  -6.999  -3.673  -1.800
   29   2HB   LEU   5          HB1       LEU   5  -6.977  -2.103  -2.565
   30    HG   LEU   5           HG       LEU   5  -6.861  -4.398  -4.449
   31   1HD1  LEU   5          HD11      LEU   5  -8.449  -5.251  -2.782
   32   2HD1  LEU   5          HD12      LEU   5  -9.207  -4.852  -4.319
   33   3HD1  LEU   5          HD13      LEU   5  -9.394  -3.760  -2.948
   34   1HD2  LEU   5          HD21      LEU   5  -8.405  -1.811  -4.355
   35   2HD2  LEU   5          HD22      LEU   5  -8.451  -2.993  -5.658
   36   3HD2  LEU   5          HD23      LEU   5  -6.961  -2.147  -5.315
   37    H    HIS   6           HN       HIS   6  -4.104  -4.570  -4.642
   38    HA   HIS   6           HA       HIS   6  -3.205  -6.705  -2.827
   39   1HB   HIS   6          HB2       HIS   6  -3.997  -8.414  -4.461
   40   2HB   HIS   6          HB1       HIS   6  -5.302  -7.518  -3.705
   41    HD1  HIS   6           HD1      HIS   6  -3.649  -8.060  -7.026
   42    HD2  HIS   6           HD2      HIS   6  -6.879  -6.030  -5.413
   43    HE1  HIS   6           HE1      HIS   6  -5.004  -7.266  -8.984
   44    HE2  HIS   6           HE2      HIS   6  -6.970  -6.060  -7.976
   45    H    ASP   7           HN       ASP   7  -1.677  -4.717  -3.605
   46    HA   ASP   7           HA       ASP   7   0.170  -6.157  -5.469
   47   1HB   ASP   7          HB2       ASP   7  -0.712  -3.786  -6.088
   48   2HB   ASP   7          HB1       ASP   7   0.396  -3.176  -4.893
   49    H    ASN   8           HN       ASN   8   2.455  -5.674  -4.970
   50    HA   ASN   8           HA       ASN   8   2.775  -6.108  -2.073
   51   1HB   ASN   8          HB2       ASN   8   4.367  -7.101  -4.435
   52   2HB   ASN   8          HB1       ASN   8   4.843  -7.347  -2.748
   53   1HD2  ASN   8          HD21      ASN   8   4.208  -9.317  -4.818
   54   2HD2  ASN   8          HD22      ASN   8   2.907 -10.243  -4.159
   55    H    CYS   9           HN       CYS   9   3.819  -4.776  -0.935
   56    HA   CYS   9           HA       CYS   9   5.972  -3.102  -1.877
   57   1HB   CYS   9          HB2       CYS   9   4.724  -0.961  -1.416
   58   2HB   CYS   9          HB1       CYS   9   4.150  -1.843  -2.818
   59    H    VAL  10           HN       VAL  10   6.843  -1.797  -0.275
   60    HA   VAL  10           HA       VAL  10   6.496  -2.977   2.435
   61    HB   VAL  10           HB       VAL  10   8.712  -1.917   2.936
   62   1HG1  VAL  10          HG11      VAL  10   8.534  -4.275   2.290
   63   2HG1  VAL  10          HG12      VAL  10  10.022  -3.531   1.716
   64   3HG1  VAL  10          HG13      VAL  10   8.703  -3.821   0.585
   65   1HG2  VAL  10          HG21      VAL  10  10.081  -1.109   1.131
   66   2HG2  VAL  10          HG22      VAL  10   8.635  -0.124   1.183
   67   3HG2  VAL  10          HG23      VAL  10   8.814  -1.377  -0.051
   68    H    TYR  11           HN       TYR  11   6.537  -1.702   4.229
   69    HA   TYR  11           HA       TYR  11   4.726   0.545   3.992
   70   1HB   TYR  11          HB2       TYR  11   4.473  -1.130   5.764
   71   2HB   TYR  11          HB1       TYR  11   6.023  -0.680   6.459
   72    HD1  TYR  11           HD1      TYR  11   6.006   0.871   8.216
   73    HD2  TYR  11           HD2      TYR  11   2.742   0.892   5.469
   74    HE1  TYR  11           HE1      TYR  11   4.865   2.568   9.563
   75    HE2  TYR  11           HE2      TYR  11   1.604   2.578   6.814
   76    HH   TYR  11           HH       TYR  11   2.961   4.477   8.931
   77    H    VAL  12           HN       VAL  12   6.177   1.771   2.719
   78    HA   VAL  12           HA       VAL  12   7.874   3.504   4.440
   79    HB   VAL  12           HB       VAL  12   8.267   2.955   1.490
   80   1HG1  VAL  12          HG11      VAL  12   8.892   5.211   1.856
   81   2HG1  VAL  12          HG12      VAL  12  10.379   4.291   1.939
   82   3HG1  VAL  12          HG13      VAL  12   9.622   4.851   3.427
   83   1HG2  VAL  12          HG21      VAL  12  10.016   2.202   3.843
   84   2HG2  VAL  12          HG22      VAL  12  10.334   1.912   2.134
   85   3HG2  VAL  12          HG23      VAL  12   8.999   1.083   2.923
   86    HA   PRO  13           HA       PRO  13   4.119   5.821   3.732
   87   1HB   PRO  13          HB2       PRO  13   5.781   7.872   5.156
   88   2HB   PRO  13          HB1       PRO  13   4.141   7.292   5.473
   89   1HG   PRO  13          HG2       PRO  13   6.201   6.534   6.969
   90   2HG   PRO  13          HG1       PRO  13   4.885   5.406   6.591
   91   1HD   PRO  13          HD2       PRO  13   7.657   5.560   5.473
   92   2HD   PRO  13          HD1       PRO  13   6.612   4.158   5.836
   93    H    ALA  14           HN       ALA  14   7.272   7.425   3.441
   94    HA   ALA  14           HA       ALA  14   6.359   9.578   1.826
   95   1HB   ALA  14          HB1       ALA  14   8.719  10.057   1.481
   96   2HB   ALA  14          HB2       ALA  14   9.158   8.463   2.126
   97   3HB   ALA  14          HB3       ALA  14   8.385   9.657   3.162
   98    H    GLN  15           HN       GLN  15   7.172   6.317   1.153
   99    HA   GLN  15           HA       GLN  15   7.009   6.856  -1.752
  100   1HB   GLN  15          HB2       GLN  15   9.264   6.237  -0.978
  101   2HB   GLN  15          HB1       GLN  15   8.638   4.735  -0.293
  102   1HG   GLN  15          HG2       GLN  15   8.026   3.946  -2.531
  103   2HG   GLN  15          HG1       GLN  15   8.509   5.490  -3.235
  104   1HE2  GLN  15          HE21      GLN  15   9.407   2.721  -3.747
  105   2HE2  GLN  15          HE22      GLN  15  11.114   2.777  -3.490
  106    H    ASN  16           HN       ASN  16   4.849   6.433   0.003
  107    HA   ASN  16           HA       ASN  16   3.878   3.763  -0.318
  108   1HB   ASN  16          HB2       ASN  16   3.038   5.277   1.424
  109   2HB   ASN  16          HB1       ASN  16   2.327   6.333   0.212
  110   1HD2  ASN  16          HD21      ASN  16   0.387   5.728  -0.758
  111   2HD2  ASN  16          HD22      ASN  16  -0.521   4.378  -0.188
  112    HA   PRO  17           HA       PRO  17   3.481   4.632  -4.705
  113   1HB   PRO  17          HB2       PRO  17   3.428   2.095  -5.532
  114   2HB   PRO  17          HB1       PRO  17   4.865   2.773  -4.759
  115   1HG   PRO  17          HG2       PRO  17   2.712   1.077  -3.505
  116   2HG   PRO  17          HG1       PRO  17   4.475   0.891  -3.440
  117   1HD   PRO  17          HD2       PRO  17   3.037   2.119  -1.495
  118   2HD   PRO  17          HD1       PRO  17   4.727   2.481  -1.843
  119    H    CYS  18           HN       CYS  18   1.189   3.443  -2.591
  120    HA   CYS  18           HA       CYS  18  -0.640   2.377  -4.462
  121   1HB   CYS  18          HB2       CYS  18  -0.916   2.937  -1.519
  122   2HB   CYS  18          HB1       CYS  18  -2.055   2.078  -2.524
  123    H    CYS  19           HN       CYS  19  -2.498   3.041  -5.077
  124    HA   CYS  19           HA       CYS  19  -2.937   5.755  -5.659
  125   1HB   CYS  19          HB2       CYS  19  -5.010   3.534  -5.407
  126   2HB   CYS  19          HB1       CYS  19  -5.188   5.041  -6.320
  127    H    ARG  20           HN       ARG  20  -4.010   7.320  -4.777
  128    HA   ARG  20           HA       ARG  20  -3.913   7.697  -2.061
  129   1HB   ARG  20          HB2       ARG  20  -5.271   9.665  -2.362
  130   2HB   ARG  20          HB1       ARG  20  -4.127   9.479  -3.691
  131   1HG   ARG  20          HG2       ARG  20  -5.985   8.528  -5.089
  132   2HG   ARG  20          HG1       ARG  20  -7.104   8.925  -3.780
  133   1HD   ARG  20          HD2       ARG  20  -5.469  10.836  -5.424
  134   2HD   ARG  20          HD1       ARG  20  -7.218  10.618  -5.372
  135    HE   ARG  20           HE       ARG  20  -5.840  11.469  -2.899
  136   1HH1  ARG  20          HH11      ARG  20  -7.965  12.342  -5.561
  137   2HH1  ARG  20          HH12      ARG  20  -8.389  13.833  -4.832
  138   1HH2  ARG  20          HH21      ARG  20  -6.439  13.422  -1.980
  139   2HH2  ARG  20          HH22      ARG  20  -7.542  14.463  -2.818
  140    H    GLY  21           HN       GLY  21  -4.761   6.593  -0.562
  141   1HA   GLY  21          HA2       GLY  21  -6.894   6.291   0.665
  142   2HA   GLY  21          HA1       GLY  21  -7.576   5.593  -0.796
  143    H    LEU  22           HN       LEU  22  -4.764   4.438  -1.249
  144    HA   LEU  22           HA       LEU  22  -5.163   2.016   0.415
  145   1HB   LEU  22          HB2       LEU  22  -3.596   2.405  -2.123
  146   2HB   LEU  22          HB1       LEU  22  -3.851   0.876  -1.301
  147    HG   LEU  22           HG       LEU  22  -5.978   2.571  -2.616
  148   1HD1  LEU  22          HD11      LEU  22  -4.715   0.006  -3.538
  149   2HD1  LEU  22          HD12      LEU  22  -4.412   1.595  -4.245
  150   3HD1  LEU  22          HD13      LEU  22  -6.015   0.876  -4.330
  151   1HD2  LEU  22          HD21      LEU  22  -6.996   1.322  -0.868
  152   2HD2  LEU  22          HD22      LEU  22  -6.066  -0.138  -1.255
  153   3HD2  LEU  22          HD23      LEU  22  -7.305   0.451  -2.360
  154    H    GLN  23           HN       GLN  23  -3.553   1.134   1.519
  155    HA   GLN  23           HA       GLN  23  -1.030   2.669   1.802
  156   1HB   GLN  23          HB2       GLN  23  -2.690   3.379   3.524
  157   2HB   GLN  23          HB1       GLN  23  -2.758   1.722   4.132
  158   1HG   GLN  23          HG2       GLN  23  -0.316   1.863   4.660
  159   2HG   GLN  23          HG1       GLN  23  -0.315   3.536   4.081
  160   1HE2  GLN  23          HE21      GLN  23  -1.422   5.122   5.298
  161   2HE2  GLN  23          HE22      GLN  23  -1.798   4.825   6.957
  162    H    CYS  24           HN       CYS  24   0.685   1.519   2.124
  163    HA   CYS  24           HA       CYS  24   0.506  -1.316   1.624
  164   1HB   CYS  24          HB2       CYS  24   2.846   0.522   1.995
  165   2HB   CYS  24          HB1       CYS  24   3.020  -1.208   1.684
  166    H    ARG  25           HN       ARG  25   0.274  -2.788   3.061
  167    HA   ARG  25           HA       ARG  25   1.541  -2.630   5.692
  168   1HB   ARG  25          HB2       ARG  25  -0.365  -4.068   5.524
  169   2HB   ARG  25          HB1       ARG  25   0.227  -4.858   4.090
  170   1HG   ARG  25          HG2       ARG  25   0.521  -6.393   5.791
  171   2HG   ARG  25          HG1       ARG  25   2.142  -5.799   5.523
  172   1HD   ARG  25          HD2       ARG  25   1.963  -5.827   7.784
  173   2HD   ARG  25          HD1       ARG  25   1.582  -4.137   7.480
  174    HE   ARG  25           HE       ARG  25  -0.882  -5.196   7.486
  175   1HH1  ARG  25          HH11      ARG  25   1.800  -5.635   9.740
  176   2HH1  ARG  25          HH12      ARG  25   0.753  -5.985  11.053
  177   1HH2  ARG  25          HH21      ARG  25  -2.212  -5.670   9.240
  178   2HH2  ARG  25          HH22      ARG  25  -1.518  -6.002  10.793
  179    H    TYR  26           HN       TYR  26   3.455  -3.610   6.205
  180    HA   TYR  26           HA       TYR  26   5.517  -3.452   4.297
  181   1HB   TYR  26          HB2       TYR  26   5.694  -3.355   6.830
  182   2HB   TYR  26          HB1       TYR  26   5.666  -5.111   6.841
  183    HD1  TYR  26           HD1      TYR  26   7.616  -2.110   6.009
  184    HD2  TYR  26           HD2      TYR  26   7.588  -6.391   5.925
  185    HE1  TYR  26           HE1      TYR  26  10.023  -2.123   5.601
  186    HE2  TYR  26           HE2      TYR  26  10.001  -6.388   5.524
  187    HH   TYR  26           HH       TYR  26  11.976  -4.022   6.130
  188    H    GLY  27           HN       GLY  27   4.790  -4.564   2.542
  189   1HA   GLY  27          HA2       GLY  27   5.725  -6.799   1.667
  190   2HA   GLY  27          HA1       GLY  27   4.496  -7.509   2.711
  191    H    LYS  28           HN       LYS  28   2.414  -5.719   2.368
  192    HA   LYS  28           HA       LYS  28   1.846  -5.599  -0.494
  193   1HB   LYS  28          HB2       LYS  28  -0.066  -6.969  -0.435
  194   2HB   LYS  28          HB1       LYS  28   1.262  -7.892   0.241
  195   1HG   LYS  28          HG2       LYS  28   0.512  -7.695   2.448
  196   2HG   LYS  28          HG1       LYS  28  -0.681  -6.452   2.086
  197   1HD   LYS  28          HD2       LYS  28  -0.771  -9.331   1.136
  198   2HD   LYS  28          HD1       LYS  28  -1.698  -8.621   2.456
  199   1HE   LYS  28          HE2       LYS  28  -2.790  -7.076   0.877
  200   2HE   LYS  28          HE1       LYS  28  -1.898  -7.808  -0.461
  201   1HZ   LYS  28          HZ1       LYS  28  -3.847  -9.211   1.278
  202   2HZ   LYS  28          HZ2       LYS  28  -2.975  -9.909  -0.006
  203   3HZ   LYS  28          HZ3       LYS  28  -4.088  -8.676  -0.306
  204    H    CYS  29           HN       CYS  29   0.181  -4.407  -1.091
  205    HA   CYS  29           HA       CYS  29  -0.425  -2.199   0.653
  206   1HB   CYS  29          HB2       CYS  29   0.126  -2.003  -1.795
  207   2HB   CYS  29          HB1       CYS  29  -1.406  -2.699  -2.131
  208    H    LEU  30           HN       LEU  30  -2.348  -1.561   1.346
  209    HA   LEU  30           HA       LEU  30  -4.611  -3.479   1.195
  210   1HB   LEU  30          HB2       LEU  30  -3.539  -2.116   3.693
  211   2HB   LEU  30          HB1       LEU  30  -4.986  -3.126   3.610
  212    HG   LEU  30           HG       LEU  30  -2.164  -4.109   3.086
  213   1HD1  LEU  30          HD11      LEU  30  -2.470  -3.429   5.413
  214   2HD1  LEU  30          HD12      LEU  30  -2.335  -5.174   5.233
  215   3HD1  LEU  30          HD13      LEU  30  -3.915  -4.450   5.521
  216   1HD2  LEU  30          HD21      LEU  30  -4.801  -5.579   3.374
  217   2HD2  LEU  30          HD22      LEU  30  -3.207  -6.318   3.273
  218   3HD2  LEU  30          HD23      LEU  30  -3.840  -5.442   1.894
  219    H    VAL  31           HN       VAL  31  -6.577  -2.638   1.810
  220    HA   VAL  31           HA       VAL  31  -7.025   0.058   0.806
  221    HB   VAL  31           HB       VAL  31  -9.048  -1.889   1.958
  222   1HG1  VAL  31          HG11      VAL  31  -9.309   0.668   0.346
  223   2HG1  VAL  31          HG12      VAL  31 -10.005   0.292   1.932
  224   3HG1  VAL  31          HG13      VAL  31 -10.595  -0.524   0.500
  225   1HG2  VAL  31          HG21      VAL  31  -7.849  -2.875   0.035
  226   2HG2  VAL  31          HG22      VAL  31  -8.310  -1.469  -0.941
  227   3HG2  VAL  31          HG23      VAL  31  -9.546  -2.541  -0.293
  228    H    GLN  32           HN       GLN  32  -6.469   1.599   2.091
  229    HA   GLN  32           HA       GLN  32  -6.790   1.417   4.980
  230   1HB   GLN  32          HB2       GLN  32  -4.899   2.574   3.842
  231   2HB   GLN  32          HB1       GLN  32  -5.969   3.838   3.303
  232   1HG   GLN  32          HG2       GLN  32  -5.633   3.094   6.228
  233   2HG   GLN  32          HG1       GLN  32  -4.582   4.232   5.398
  234   1HE2  GLN  32          HE21      GLN  32  -6.580   4.520   7.637
  235   2HE2  GLN  32          HE22      GLN  32  -7.570   5.834   7.113
  236    H    VAL  33           HN       VAL  33  -8.802   1.317   5.533
  237    HA   VAL  33           HA       VAL  33 -10.467   3.716   5.115
  238    HB   VAL  33           HB       VAL  33 -11.191   2.181   3.338
  239   1HG1  VAL  33          HG11      VAL  33 -12.021   0.171   5.431
  240   2HG1  VAL  33          HG12      VAL  33 -10.493   0.058   4.550
  241   3HG1  VAL  33          HG13      VAL  33 -12.020   0.025   3.683
  242   1HG2  VAL  33          HG21      VAL  33 -12.833   3.648   4.599
  243   2HG2  VAL  33          HG22      VAL  33 -13.319   2.195   5.488
  244   3HG2  VAL  33          HG23      VAL  33 -13.502   2.266   3.745
  245   1HG   HSL  34          HG1       HSL  34  -9.807   2.001  11.822
  246   2HG   HSL  34          HG2       HSL  34  -8.103   1.912  11.330
  247    H    HSL  34           HN       HSL  34  -9.344   3.754   7.193
  248    HA   HSL  34           HA       HSL  34 -11.069   3.219   9.068
  249   1HB   HSL  34          HB1       HSL  34 -10.281   1.215   9.777
  250   2HB   HSL  34          HB2       HSL  34  -8.645   1.536   9.191
  Start of MODEL   23
    1   1H    ALA   1           HT1      ALA   1   1.241   3.039 -13.723
    2   2H    ALA   1           HT2      ALA   1   2.359   2.501 -12.574
    3   3H    ALA   1           HT3      ALA   1   1.610   4.021 -12.400
    4    HA   ALA   1           HA       ALA   1  -0.549   2.966 -12.172
    5   1HB   ALA   1          HB1       ALA   1   1.003   0.368 -12.261
    6   2HB   ALA   1          HB2       ALA   1  -0.068   1.000 -13.506
    7   3HB   ALA   1          HB3       ALA   1  -0.735   0.537 -11.945
    8    H    CYS   2           HN       CYS   2  -0.961   3.625 -10.274
    9    HA   CYS   2           HA       CYS   2   0.803   3.471  -8.030
   10   1HB   CYS   2          HB2       CYS   2  -1.201   4.267  -6.752
   11   2HB   CYS   2          HB1       CYS   2  -0.781   5.243  -8.125
   12    H    GLY   3           HN       GLY   3   0.663   2.276  -6.211
   13   1HA   GLY   3          HA2       GLY   3   0.239  -0.425  -6.387
   14   2HA   GLY   3          HA1       GLY   3   0.340   0.468  -4.890
   15    H    ILE   4           HN       ILE   4  -1.485  -1.596  -6.446
   16    HA   ILE   4           HA       ILE   4  -4.132  -0.521  -5.835
   17    HB   ILE   4           HB       ILE   4  -4.980  -2.584  -6.937
   18   1HG1  ILE   4          HG12      ILE   4  -2.055  -3.201  -7.468
   19   2HG1  ILE   4          HG11      ILE   4  -3.049  -4.096  -6.318
   20   1HG2  ILE   4          HG21      ILE   4  -2.921  -1.121  -8.602
   21   2HG2  ILE   4          HG22      ILE   4  -4.544  -0.535  -8.209
   22   3HG2  ILE   4          HG23      ILE   4  -4.356  -1.990  -9.168
   23   1HD1  ILE   4          HD11      ILE   4  -3.380  -3.945  -9.299
   24   2HD1  ILE   4          HD12      ILE   4  -4.528  -4.732  -8.203
   25   3HD1  ILE   4          HD13      ILE   4  -2.870  -5.312  -8.317
   26    H    LEU   5           HN       LEU   5  -5.667  -2.298  -5.151
   27    HA   LEU   5           HA       LEU   5  -5.610  -2.230  -2.453
   28   1HB   LEU   5          HB2       LEU   5  -7.556  -3.567  -2.441
   29   2HB   LEU   5          HB1       LEU   5  -7.570  -2.629  -3.919
   30    HG   LEU   5           HG       LEU   5  -6.784  -5.560  -3.792
   31   1HD1  LEU   5          HD11      LEU   5  -9.127  -5.250  -3.209
   32   2HD1  LEU   5          HD12      LEU   5  -8.907  -6.027  -4.771
   33   3HD1  LEU   5          HD13      LEU   5  -9.372  -4.328  -4.704
   34   1HD2  LEU   5          HD21      LEU   5  -7.256  -3.682  -6.121
   35   2HD2  LEU   5          HD22      LEU   5  -7.104  -5.432  -6.239
   36   3HD2  LEU   5          HD23      LEU   5  -5.739  -4.484  -5.692
   37    H    HIS   6           HN       HIS   6  -4.067  -4.642  -4.395
   38    HA   HIS   6           HA       HIS   6  -2.906  -5.812  -1.962
   39   1HB   HIS   6          HB2       HIS   6  -3.356  -8.108  -2.716
   40   2HB   HIS   6          HB1       HIS   6  -4.854  -7.224  -2.472
   41    HD1  HIS   6           HD1      HIS   6  -2.576  -8.107  -5.422
   42    HD2  HIS   6           HD2      HIS   6  -6.590  -7.576  -4.501
   43    HE1  HIS   6           HE1      HIS   6  -3.809  -8.549  -7.543
   44    HE2  HIS   6           HE2      HIS   6  -6.231  -8.148  -6.994
   45    H    ASP   7           HN       ASP   7  -1.697  -4.052  -3.472
   46    HA   ASP   7           HA       ASP   7   0.022  -5.506  -5.386
   47   1HB   ASP   7          HB2       ASP   7  -0.742  -3.280  -5.967
   48   2HB   ASP   7          HB1       ASP   7  -0.001  -2.566  -4.567
   49    H    ASN   8           HN       ASN   8   2.121  -5.879  -5.094
   50    HA   ASN   8           HA       ASN   8   2.910  -6.296  -2.323
   51   1HB   ASN   8          HB2       ASN   8   4.300  -6.880  -4.962
   52   2HB   ASN   8          HB1       ASN   8   4.994  -7.279  -3.384
   53   1HD2  ASN   8          HD21      ASN   8   4.245  -9.016  -5.610
   54   2HD2  ASN   8          HD22      ASN   8   3.110 -10.128  -4.931
   55    H    CYS   9           HN       CYS   9   4.081  -5.098  -1.155
   56    HA   CYS   9           HA       CYS   9   6.172  -3.404  -1.934
   57   1HB   CYS   9          HB2       CYS   9   5.094  -1.185  -1.559
   58   2HB   CYS   9          HB1       CYS   9   4.493  -1.990  -2.984
   59    H    VAL  10           HN       VAL  10   7.199  -2.527  -0.282
   60    HA   VAL  10           HA       VAL  10   6.597  -3.600   2.362
   61    HB   VAL  10           HB       VAL  10   8.715  -2.501   3.050
   62   1HG1  VAL  10          HG11      VAL  10   8.740  -4.776   2.148
   63   2HG1  VAL  10          HG12      VAL  10  10.199  -3.878   1.748
   64   3HG1  VAL  10          HG13      VAL  10   8.966  -4.127   0.514
   65   1HG2  VAL  10          HG21      VAL  10  10.106  -1.380   1.471
   66   2HG2  VAL  10          HG22      VAL  10   8.572  -0.544   1.463
   67   3HG2  VAL  10          HG23      VAL  10   8.981  -1.646   0.154
   68    H    TYR  11           HN       TYR  11   6.920  -2.140   4.234
   69    HA   TYR  11           HA       TYR  11   4.729  -0.247   4.127
   70   1HB   TYR  11          HB2       TYR  11   5.034  -1.805   6.002
   71   2HB   TYR  11          HB1       TYR  11   6.556  -1.042   6.431
   72    HD1  TYR  11           HD1      TYR  11   6.566   0.910   7.823
   73    HD2  TYR  11           HD2      TYR  11   2.884  -0.460   6.150
   74    HE1  TYR  11           HE1      TYR  11   5.329   2.484   9.228
   75    HE2  TYR  11           HE2      TYR  11   1.654   1.124   7.542
   76    HH   TYR  11           HH       TYR  11   2.276   2.311   9.970
   77    H    VAL  12           HN       VAL  12   5.717   1.092   2.595
   78    HA   VAL  12           HA       VAL  12   7.494   3.135   3.841
   79    HB   VAL  12           HB       VAL  12   8.214   3.705   1.497
   80   1HG1  VAL  12          HG11      VAL  12   8.976   1.031   2.678
   81   2HG1  VAL  12          HG12      VAL  12   9.741   2.601   2.947
   82   3HG1  VAL  12          HG13      VAL  12   9.836   1.836   1.366
   83   1HG2  VAL  12          HG21      VAL  12   8.038   1.982  -0.199
   84   2HG2  VAL  12          HG22      VAL  12   6.432   2.510   0.238
   85   3HG2  VAL  12          HG23      VAL  12   7.060   0.982   0.848
   86    HA   PRO  13           HA       PRO  13   3.434   5.026   3.048
   87   1HB   PRO  13          HB2       PRO  13   3.332   6.468   5.329
   88   2HB   PRO  13          HB1       PRO  13   2.976   4.743   5.257
   89   1HG   PRO  13          HG2       PRO  13   5.488   6.095   6.158
   90   2HG   PRO  13          HG1       PRO  13   4.623   4.720   6.869
   91   1HD   PRO  13          HD2       PRO  13   6.832   4.493   5.283
   92   2HD   PRO  13          HD1       PRO  13   5.600   3.229   5.503
   93    H    ALA  14           HN       ALA  14   6.509   6.422   3.973
   94    HA   ALA  14           HA       ALA  14   6.009   9.136   3.725
   95   1HB   ALA  14          HB1       ALA  14   8.068   8.202   4.619
   96   2HB   ALA  14          HB2       ALA  14   8.414   9.389   3.367
   97   3HB   ALA  14          HB3       ALA  14   8.559   7.654   3.019
   98    H    GLN  15           HN       GLN  15   7.040   6.779   1.351
   99    HA   GLN  15           HA       GLN  15   5.896   8.518  -0.773
  100   1HB   GLN  15          HB2       GLN  15   8.396   8.318  -0.891
  101   2HB   GLN  15          HB1       GLN  15   8.245   6.575  -1.002
  102   1HG   GLN  15          HG2       GLN  15   8.639   7.603  -3.163
  103   2HG   GLN  15          HG1       GLN  15   7.100   6.769  -3.156
  104   1HE2  GLN  15          HE21      GLN  15   8.710   9.870  -3.209
  105   2HE2  GLN  15          HE22      GLN  15   7.315  10.773  -3.679
  106    H    ASN  16           HN       ASN  16   4.148   7.266   0.378
  107    HA   ASN  16           HA       ASN  16   3.728   4.532  -0.126
  108   1HB   ASN  16          HB2       ASN  16   2.451   5.701   1.528
  109   2HB   ASN  16          HB1       ASN  16   1.748   6.771   0.351
  110   1HD2  ASN  16          HD21      ASN  16  -0.017   6.085  -0.819
  111   2HD2  ASN  16          HD22      ASN  16  -0.812   4.597  -0.476
  112    HA   PRO  17           HA       PRO  17   3.424   5.113  -4.550
  113   1HB   PRO  17          HB2       PRO  17   3.796   2.548  -5.217
  114   2HB   PRO  17          HB1       PRO  17   5.073   3.492  -4.444
  115   1HG   PRO  17          HG2       PRO  17   3.148   1.573  -3.152
  116   2HG   PRO  17          HG1       PRO  17   4.916   1.646  -3.023
  117   1HD   PRO  17          HD2       PRO  17   3.283   2.744  -1.181
  118   2HD   PRO  17          HD1       PRO  17   4.892   3.391  -1.558
  119    H    CYS  18           HN       CYS  18   1.233   3.615  -2.491
  120    HA   CYS  18           HA       CYS  18  -0.422   2.382  -4.430
  121   1HB   CYS  18          HB2       CYS  18  -0.805   2.939  -1.512
  122   2HB   CYS  18          HB1       CYS  18  -1.942   2.082  -2.521
  123    H    CYS  19           HN       CYS  19  -2.517   2.826  -4.837
  124    HA   CYS  19           HA       CYS  19  -2.993   5.476  -5.738
  125   1HB   CYS  19          HB2       CYS  19  -5.093   3.334  -5.235
  126   2HB   CYS  19          HB1       CYS  19  -5.158   4.677  -6.383
  127    H    ARG  20           HN       ARG  20  -4.520   6.947  -5.057
  128    HA   ARG  20           HA       ARG  20  -4.177   7.602  -2.327
  129   1HB   ARG  20          HB2       ARG  20  -4.536   9.188  -4.222
  130   2HB   ARG  20          HB1       ARG  20  -6.252   8.773  -4.230
  131   1HG   ARG  20          HG2       ARG  20  -6.480   9.627  -1.937
  132   2HG   ARG  20          HG1       ARG  20  -4.742   9.960  -1.870
  133   1HD   ARG  20          HD2       ARG  20  -5.824  11.987  -2.292
  134   2HD   ARG  20          HD1       ARG  20  -5.062  11.505  -3.808
  135    HE   ARG  20           HE       ARG  20  -7.912  10.831  -3.379
  136   1HH1  ARG  20          HH11      ARG  20  -5.536  12.842  -5.036
  137   2HH1  ARG  20          HH12      ARG  20  -6.710  13.528  -6.077
  138   1HH2  ARG  20          HH21      ARG  20  -9.420  11.767  -4.782
  139   2HH2  ARG  20          HH22      ARG  20  -8.906  12.936  -5.952
  140    H    GLY  21           HN       GLY  21  -4.952   6.381  -0.840
  141   1HA   GLY  21          HA2       GLY  21  -7.048   6.065   0.448
  142   2HA   GLY  21          HA1       GLY  21  -7.775   5.393  -1.004
  143    H    LEU  22           HN       LEU  22  -4.658   4.470  -1.134
  144    HA   LEU  22           HA       LEU  22  -5.073   1.977   0.446
  145   1HB   LEU  22          HB2       LEU  22  -3.641   2.289  -2.198
  146   2HB   LEU  22          HB1       LEU  22  -3.903   0.787  -1.326
  147    HG   LEU  22           HG       LEU  22  -6.065   2.500  -2.565
  148   1HD1  LEU  22          HD11      LEU  22  -4.579   1.504  -4.258
  149   2HD1  LEU  22          HD12      LEU  22  -6.196   0.821  -4.277
  150   3HD1  LEU  22          HD13      LEU  22  -4.881  -0.076  -3.550
  151   1HD2  LEU  22          HD21      LEU  22  -6.976   1.243  -0.742
  152   2HD2  LEU  22          HD22      LEU  22  -6.111  -0.224  -1.235
  153   3HD2  LEU  22          HD23      LEU  22  -7.408   0.424  -2.233
  154    H    GLN  23           HN       GLN  23  -3.280   1.067   1.334
  155    HA   GLN  23           HA       GLN  23  -0.848   2.733   1.457
  156   1HB   GLN  23          HB2       GLN  23  -2.226   3.465   3.256
  157   2HB   GLN  23          HB1       GLN  23  -2.462   1.834   3.869
  158   1HG   GLN  23          HG2       GLN  23   0.006   1.756   4.343
  159   2HG   GLN  23          HG1       GLN  23   0.136   3.421   3.755
  160   1HE2  GLN  23          HE21      GLN  23   0.929   4.130   5.748
  161   2HE2  GLN  23          HE22      GLN  23  -0.108   4.251   7.122
  162    H    CYS  24           HN       CYS  24   0.932   1.689   1.537
  163    HA   CYS  24           HA       CYS  24   0.982  -1.147   1.216
  164   1HB   CYS  24          HB2       CYS  24   3.149   0.897   1.509
  165   2HB   CYS  24          HB1       CYS  24   3.482  -0.830   1.358
  166    H    ARG  25           HN       ARG  25   0.643  -2.500   2.718
  167    HA   ARG  25           HA       ARG  25   1.706  -2.077   5.415
  168   1HB   ARG  25          HB2       ARG  25  -0.560  -3.090   5.099
  169   2HB   ARG  25          HB1       ARG  25   0.150  -4.420   4.221
  170   1HG   ARG  25          HG2       ARG  25  -0.313  -5.112   6.442
  171   2HG   ARG  25          HG1       ARG  25   1.430  -5.092   6.254
  172   1HD   ARG  25          HD2       ARG  25   1.360  -2.751   7.309
  173   2HD   ARG  25          HD1       ARG  25  -0.347  -3.093   7.650
  174    HE   ARG  25           HE       ARG  25   1.221  -5.206   8.661
  175   1HH1  ARG  25          HH11      ARG  25   0.550  -1.806   9.253
  176   2HH1  ARG  25          HH12      ARG  25   1.003  -1.902  10.909
  177   1HH2  ARG  25          HH21      ARG  25   1.785  -5.303  10.857
  178   2HH2  ARG  25          HH22      ARG  25   1.702  -3.875  11.834
  179    H    TYR  26           HN       TYR  26   3.146  -3.546   6.337
  180    HA   TYR  26           HA       TYR  26   5.431  -4.079   4.953
  181   1HB   TYR  26          HB2       TYR  26   5.317  -4.085   7.375
  182   2HB   TYR  26          HB1       TYR  26   4.372  -5.568   7.386
  183    HD1  TYR  26           HD1      TYR  26   7.686  -4.166   6.323
  184    HD2  TYR  26           HD2      TYR  26   5.496  -7.658   7.479
  185    HE1  TYR  26           HE1      TYR  26   9.763  -5.457   6.382
  186    HE2  TYR  26           HE2      TYR  26   7.581  -8.938   7.535
  187    HH   TYR  26           HH       TYR  26  10.492  -7.754   7.751
  188    H    GLY  27           HN       GLY  27   5.132  -4.945   3.017
  189   1HA   GLY  27          HA2       GLY  27   5.693  -7.150   2.063
  190   2HA   GLY  27          HA1       GLY  27   4.288  -7.810   2.880
  191    H    LYS  28           HN       LYS  28   2.458  -5.765   2.420
  192    HA   LYS  28           HA       LYS  28   2.248  -5.298  -0.434
  193   1HB   LYS  28          HB2       LYS  28   0.160  -6.658  -0.693
  194   2HB   LYS  28          HB1       LYS  28   1.649  -7.580  -0.497
  195   1HG   LYS  28          HG2       LYS  28   1.107  -7.958   1.890
  196   2HG   LYS  28          HG1       LYS  28  -0.433  -7.096   1.653
  197   1HD   LYS  28          HD2       LYS  28  -1.205  -8.744   0.085
  198   2HD   LYS  28          HD1       LYS  28   0.373  -9.548   0.052
  199   1HE   LYS  28          HE2       LYS  28  -1.099 -10.832   1.387
  200   2HE   LYS  28          HE1       LYS  28   0.071 -10.095   2.475
  201   1HZ   LYS  28          HZ1       LYS  28  -2.271 -10.050   3.234
  202   2HZ   LYS  28          HZ2       LYS  28  -2.665  -8.989   1.983
  203   3HZ   LYS  28          HZ3       LYS  28  -1.562  -8.521   3.191
  204    H    CYS  29           HN       CYS  29   0.350  -4.311  -1.039
  205    HA   CYS  29           HA       CYS  29  -0.289  -2.182   0.780
  206   1HB   CYS  29          HB2       CYS  29   0.230  -1.966  -1.698
  207   2HB   CYS  29          HB1       CYS  29  -1.335  -2.616  -2.007
  208    H    LEU  30           HN       LEU  30  -2.163  -1.678   1.621
  209    HA   LEU  30           HA       LEU  30  -4.420  -3.586   1.302
  210   1HB   LEU  30          HB2       LEU  30  -3.334  -2.357   3.864
  211   2HB   LEU  30          HB1       LEU  30  -4.866  -3.230   3.747
  212    HG   LEU  30           HG       LEU  30  -2.106  -4.394   3.303
  213   1HD1  LEU  30          HD11      LEU  30  -2.621  -3.904   5.654
  214   2HD1  LEU  30          HD12      LEU  30  -2.559  -5.631   5.325
  215   3HD1  LEU  30          HD13      LEU  30  -4.122  -4.839   5.517
  216   1HD2  LEU  30          HD21      LEU  30  -4.865  -5.632   3.078
  217   2HD2  LEU  30          HD22      LEU  30  -3.378  -6.553   3.269
  218   3HD2  LEU  30          HD23      LEU  30  -3.602  -5.568   1.843
  219    H    VAL  31           HN       VAL  31  -6.387  -2.819   1.909
  220    HA   VAL  31           HA       VAL  31  -6.885  -0.176   0.838
  221    HB   VAL  31           HB       VAL  31  -9.287  -0.752   1.088
  222   1HG1  VAL  31          HG11      VAL  31  -9.310  -2.587  -0.529
  223   2HG1  VAL  31          HG12      VAL  31  -7.588  -2.853  -0.274
  224   3HG1  VAL  31          HG13      VAL  31  -8.164  -1.334  -0.970
  225   1HG2  VAL  31          HG21      VAL  31  -9.281  -2.158   3.068
  226   2HG2  VAL  31          HG22      VAL  31  -8.218  -3.330   2.297
  227   3HG2  VAL  31          HG23      VAL  31  -9.851  -3.092   1.708
  228    H    GLN  32           HN       GLN  32  -6.831   1.542   1.925
  229    HA   GLN  32           HA       GLN  32  -6.919   1.621   4.816
  230   1HB   GLN  32          HB2       GLN  32  -6.861   3.747   2.679
  231   2HB   GLN  32          HB1       GLN  32  -7.049   4.153   4.371
  232   1HG   GLN  32          HG2       GLN  32  -4.903   2.943   4.823
  233   2HG   GLN  32          HG1       GLN  32  -4.699   2.785   3.072
  234   1HE2  GLN  32          HE21      GLN  32  -3.160   4.262   5.160
  235   2HE2  GLN  32          HE22      GLN  32  -3.037   5.853   4.534
  236    H    VAL  33           HN       VAL  33  -8.836   0.561   5.139
  237    HA   VAL  33           HA       VAL  33 -11.356   1.946   4.587
  238    HB   VAL  33           HB       VAL  33 -12.352   0.234   6.133
  239   1HG1  VAL  33          HG11      VAL  33 -12.070  -1.647   4.615
  240   2HG1  VAL  33          HG12      VAL  33 -10.701  -0.850   3.848
  241   3HG1  VAL  33          HG13      VAL  33 -12.318  -0.142   3.734
  242   1HG2  VAL  33          HG21      VAL  33 -10.362  -0.224   7.557
  243   2HG2  VAL  33          HG22      VAL  33  -9.552  -0.946   6.166
  244   3HG2  VAL  33          HG23      VAL  33 -11.010  -1.668   6.812
  245   1HG   HSL  34          HG1       HSL  34  -8.466   7.517   6.999
  246   2HG   HSL  34          HG2       HSL  34  -8.575   6.886   8.656
  247    H    HSL  34           HN       HSL  34 -10.219   3.869   5.384
  248    HA   HSL  34           HA       HSL  34 -10.208   4.126   8.044
  249   1HB   HSL  34          HB1       HSL  34  -8.091   4.887   7.765
  250   2HB   HSL  34          HB2       HSL  34  -8.404   5.459   6.122
  Start of MODEL   24
    1   1H    ALA   1           HT1      ALA   1   2.003   5.278 -13.223
    2   2H    ALA   1           HT2      ALA   1   2.854   4.293 -12.144
    3   3H    ALA   1           HT3      ALA   1   2.221   5.788 -11.628
    4    HA   ALA   1           HA       ALA   1  -0.033   5.009 -12.023
    5   1HB   ALA   1          HB1       ALA   1   1.291   2.362 -12.680
    6   2HB   ALA   1          HB2       ALA   1   0.499   3.452 -13.812
    7   3HB   ALA   1          HB3       ALA   1  -0.456   2.655 -12.567
    8    H    CYS   2           HN       CYS   2  -1.178   4.283 -10.337
    9    HA   CYS   2           HA       CYS   2   0.343   4.009  -7.881
   10   1HB   CYS   2          HB2       CYS   2  -1.695   4.370  -6.794
   11   2HB   CYS   2          HB1       CYS   2  -1.704   5.440  -8.136
   12    H    GLY   3           HN       GLY   3   0.438   2.255  -6.620
   13   1HA   GLY   3          HA2       GLY   3  -0.160  -0.328  -7.477
   14   2HA   GLY   3          HA1       GLY   3   0.273   0.151  -5.844
   15    H    ILE   4           HN       ILE   4  -1.630  -1.814  -6.566
   16    HA   ILE   4           HA       ILE   4  -4.270  -0.561  -5.994
   17    HB   ILE   4           HB       ILE   4  -5.227  -2.740  -6.777
   18   1HG1  ILE   4          HG12      ILE   4  -2.366  -3.294  -7.614
   19   2HG1  ILE   4          HG11      ILE   4  -3.229  -4.166  -6.345
   20   1HG2  ILE   4          HG21      ILE   4  -3.497  -1.333  -8.815
   21   2HG2  ILE   4          HG22      ILE   4  -5.063  -0.764  -8.220
   22   3HG2  ILE   4          HG23      ILE   4  -4.968  -2.274  -9.105
   23   1HD1  ILE   4          HD11      ILE   4  -4.855  -4.913  -8.059
   24   2HD1  ILE   4          HD12      ILE   4  -3.199  -5.462  -8.293
   25   3HD1  ILE   4          HD13      ILE   4  -3.827  -4.153  -9.285
   26    H    LEU   5           HN       LEU   5  -5.750  -1.964  -4.956
   27    HA   LEU   5           HA       LEU   5  -5.278  -1.905  -2.274
   28   1HB   LEU   5          HB2       LEU   5  -7.440  -2.919  -1.996
   29   2HB   LEU   5          HB1       LEU   5  -7.473  -1.771  -3.318
   30    HG   LEU   5           HG       LEU   5  -7.159  -4.737  -3.835
   31   1HD1  LEU   5          HD11      LEU   5  -9.166  -4.452  -2.492
   32   2HD1  LEU   5          HD12      LEU   5  -9.505  -4.911  -4.156
   33   3HD1  LEU   5          HD13      LEU   5  -9.751  -3.241  -3.647
   34   1HD2  LEU   5          HD21      LEU   5  -7.877  -2.333  -5.499
   35   2HD2  LEU   5          HD22      LEU   5  -8.367  -3.964  -5.957
   36   3HD2  LEU   5          HD23      LEU   5  -6.670  -3.591  -5.778
   37    H    HIS   6           HN       HIS   6  -4.184  -4.359  -4.293
   38    HA   HIS   6           HA       HIS   6  -3.270  -5.849  -1.965
   39   1HB   HIS   6          HB2       HIS   6  -4.029  -8.007  -2.866
   40   2HB   HIS   6          HB1       HIS   6  -5.367  -6.944  -2.461
   41    HD1  HIS   6           HD1      HIS   6  -3.445  -8.079  -5.547
   42    HD2  HIS   6           HD2      HIS   6  -7.188  -6.662  -4.442
   43    HE1  HIS   6           HE1      HIS   6  -4.821  -8.118  -7.630
   44    HE2  HIS   6           HE2      HIS   6  -7.051  -7.155  -6.970
   45    H    ASP   7           HN       ASP   7  -1.799  -4.207  -3.384
   46    HA   ASP   7           HA       ASP   7  -0.222  -5.974  -5.181
   47   1HB   ASP   7          HB2       ASP   7  -0.880  -3.538  -5.750
   48   2HB   ASP   7          HB1       ASP   7   0.389  -3.044  -4.646
   49    H    ASN   8           HN       ASN   8   2.253  -5.113  -4.865
   50    HA   ASN   8           HA       ASN   8   2.925  -5.984  -2.135
   51   1HB   ASN   8          HB2       ASN   8   3.534  -7.576  -3.859
   52   2HB   ASN   8          HB1       ASN   8   4.378  -6.347  -4.791
   53   1HD2  ASN   8          HD21      ASN   8   6.437  -5.644  -4.079
   54   2HD2  ASN   8          HD22      ASN   8   7.301  -6.521  -2.867
   55    H    CYS   9           HN       CYS   9   4.133  -4.780  -0.926
   56    HA   CYS   9           HA       CYS   9   6.073  -2.912  -1.773
   57   1HB   CYS   9          HB2       CYS   9   4.849  -0.797  -1.135
   58   2HB   CYS   9          HB1       CYS   9   4.274  -1.535  -2.609
   59    H    VAL  10           HN       VAL  10   7.105  -1.931  -0.183
   60    HA   VAL  10           HA       VAL  10   6.751  -3.022   2.521
   61    HB   VAL  10           HB       VAL  10   9.005  -2.880   1.500
   62   1HG1  VAL  10          HG11      VAL  10  10.111  -0.844   1.095
   63   2HG1  VAL  10          HG12      VAL  10   8.820   0.129   1.771
   64   3HG1  VAL  10          HG13      VAL  10   8.586  -0.721   0.238
   65   1HG2  VAL  10          HG21      VAL  10  10.146  -2.073   3.414
   66   2HG2  VAL  10          HG22      VAL  10   8.656  -2.805   3.991
   67   3HG2  VAL  10          HG23      VAL  10   8.810  -1.042   3.902
   68    H    TYR  11           HN       TYR  11   6.625  -1.716   4.339
   69    HA   TYR  11           HA       TYR  11   4.693   0.391   4.086
   70   1HB   TYR  11          HB2       TYR  11   5.040  -1.313   6.007
   71   2HB   TYR  11          HB1       TYR  11   6.252  -0.205   6.624
   72    HD1  TYR  11           HD1      TYR  11   5.280   2.416   6.554
   73    HD2  TYR  11           HD2      TYR  11   2.990  -1.142   7.113
   74    HE1  TYR  11           HE1      TYR  11   3.550   3.714   7.647
   75    HE2  TYR  11           HE2      TYR  11   1.206   0.175   8.126
   76    HH   TYR  11           HH       TYR  11   1.368   2.592   9.556
   77    H    VAL  12           HN       VAL  12   5.917   1.675   2.641
   78    HA   VAL  12           HA       VAL  12   7.518   3.650   4.154
   79    HB   VAL  12           HB       VAL  12   9.051   2.513   2.694
   80   1HG1  VAL  12          HG11      VAL  12   7.303   1.785   0.994
   81   2HG1  VAL  12          HG12      VAL  12   8.842   2.337   0.374
   82   3HG1  VAL  12          HG13      VAL  12   7.451   3.398   0.292
   83   1HG2  VAL  12          HG21      VAL  12   9.119   5.055   3.066
   84   2HG2  VAL  12          HG22      VAL  12   8.512   5.181   1.413
   85   3HG2  VAL  12          HG23      VAL  12  10.034   4.383   1.726
   86    HA   PRO  13           HA       PRO  13   3.671   5.670   2.916
   87   1HB   PRO  13          HB2       PRO  13   4.049   7.822   4.606
   88   2HB   PRO  13          HB1       PRO  13   3.352   6.273   5.076
   89   1HG   PRO  13          HG2       PRO  13   6.146   7.263   5.455
   90   2HG   PRO  13          HG1       PRO  13   5.096   6.370   6.572
   91   1HD   PRO  13          HD2       PRO  13   7.060   5.203   5.198
   92   2HD   PRO  13          HD1       PRO  13   5.560   4.332   5.594
   93    H    ALA  14           HN       ALA  14   6.821   7.186   3.330
   94    HA   ALA  14           HA       ALA  14   6.412   9.583   1.973
   95   1HB   ALA  14          HB1       ALA  14   8.348   9.097   3.360
   96   2HB   ALA  14          HB2       ALA  14   8.840   9.688   1.777
   97   3HB   ALA  14          HB3       ALA  14   8.964   7.960   2.165
   98    H    GLN  15           HN       GLN  15   7.146   6.378   0.842
   99    HA   GLN  15           HA       GLN  15   6.737   7.283  -1.954
  100   1HB   GLN  15          HB2       GLN  15   8.775   5.382  -0.773
  101   2HB   GLN  15          HB1       GLN  15   8.319   5.243  -2.470
  102   1HG   GLN  15          HG2       GLN  15   9.503   7.708  -1.154
  103   2HG   GLN  15          HG1       GLN  15  10.377   6.512  -2.108
  104   1HE2  GLN  15          HE21      GLN  15  10.126   6.457  -4.361
  105   2HE2  GLN  15          HE22      GLN  15   9.345   7.750  -5.198
  106    H    ASN  16           HN       ASN  16   4.668   6.676  -0.459
  107    HA   ASN  16           HA       ASN  16   3.814   3.978  -0.764
  108   1HB   ASN  16          HB2       ASN  16   2.716   5.550   0.762
  109   2HB   ASN  16          HB1       ASN  16   2.125   6.508  -0.588
  110   1HD2  ASN  16          HD21      ASN  16   0.581   5.181   1.498
  111   2HD2  ASN  16          HD22      ASN  16  -0.439   4.054   0.679
  112    HA   PRO  17           HA       PRO  17   3.658   4.487  -5.222
  113   1HB   PRO  17          HB2       PRO  17   3.617   1.865  -5.828
  114   2HB   PRO  17          HB1       PRO  17   5.050   2.662  -5.177
  115   1HG   PRO  17          HG2       PRO  17   3.052   0.952  -3.745
  116   2HG   PRO  17          HG1       PRO  17   4.822   0.962  -3.636
  117   1HD   PRO  17          HD2       PRO  17   3.151   2.217  -1.865
  118   2HD   PRO  17          HD1       PRO  17   4.841   2.634  -2.128
  119    H    CYS  18           HN       CYS  18   1.366   3.109  -3.104
  120    HA   CYS  18           HA       CYS  18  -0.520   2.289  -5.067
  121   1HB   CYS  18          HB2       CYS  18  -0.711   2.468  -2.079
  122   2HB   CYS  18          HB1       CYS  18  -1.951   1.816  -3.142
  123    H    CYS  19           HN       CYS  19  -2.635   2.967  -5.199
  124    HA   CYS  19           HA       CYS  19  -2.955   5.757  -5.516
  125   1HB   CYS  19          HB2       CYS  19  -4.703   3.377  -5.642
  126   2HB   CYS  19          HB1       CYS  19  -5.557   4.856  -5.228
  127    H    ARG  20           HN       ARG  20  -4.111   7.229  -4.431
  128    HA   ARG  20           HA       ARG  20  -3.454   7.248  -1.634
  129   1HB   ARG  20          HB2       ARG  20  -4.999   9.187  -3.386
  130   2HB   ARG  20          HB1       ARG  20  -4.592   9.504  -1.684
  131   1HG   ARG  20          HG2       ARG  20  -2.237   9.425  -2.166
  132   2HG   ARG  20          HG1       ARG  20  -2.539   8.925  -3.838
  133   1HD   ARG  20          HD2       ARG  20  -3.670  11.060  -4.249
  134   2HD   ARG  20          HD1       ARG  20  -3.340  11.557  -2.592
  135    HE   ARG  20           HE       ARG  20  -0.933  11.383  -3.096
  136   1HH1  ARG  20          HH11      ARG  20  -3.207  11.847  -5.758
  137   2HH1  ARG  20          HH12      ARG  20  -2.028  12.589  -6.752
  138   1HH2  ARG  20          HH21      ARG  20   0.588  12.348  -4.463
  139   2HH2  ARG  20          HH22      ARG  20   0.119  12.882  -6.043
  140    H    GLY  21           HN       GLY  21  -4.468   6.401  -0.124
  141   1HA   GLY  21          HA2       GLY  21  -6.596   6.176   1.068
  142   2HA   GLY  21          HA1       GLY  21  -7.364   5.713  -0.445
  143    H    LEU  22           HN       LEU  22  -4.439   4.428  -0.771
  144    HA   LEU  22           HA       LEU  22  -5.202   1.851   0.503
  145   1HB   LEU  22          HB2       LEU  22  -3.292   2.377  -1.767
  146   2HB   LEU  22          HB1       LEU  22  -3.808   0.796  -1.189
  147    HG   LEU  22           HG       LEU  22  -5.534   2.867  -2.580
  148   1HD1  LEU  22          HD11      LEU  22  -4.051   1.874  -4.142
  149   2HD1  LEU  22          HD12      LEU  22  -5.627   1.134  -4.357
  150   3HD1  LEU  22          HD13      LEU  22  -4.357   0.265  -3.510
  151   1HD2  LEU  22          HD21      LEU  22  -6.857   1.569  -0.954
  152   2HD2  LEU  22          HD22      LEU  22  -6.219   0.070  -1.663
  153   3HD2  LEU  22          HD23      LEU  22  -7.237   1.135  -2.611
  154    H    GLN  23           HN       GLN  23  -3.783   0.743   1.650
  155    HA   GLN  23           HA       GLN  23  -1.508   2.336   2.724
  156   1HB   GLN  23          HB2       GLN  23  -3.201   2.061   4.357
  157   2HB   GLN  23          HB1       GLN  23  -3.349   0.344   4.059
  158   1HG   GLN  23          HG2       GLN  23  -1.071  -0.004   4.956
  159   2HG   GLN  23          HG1       GLN  23  -0.913   1.737   5.217
  160   1HE2  GLN  23          HE21      GLN  23  -1.982   2.680   6.956
  161   2HE2  GLN  23          HE22      GLN  23  -2.705   1.710   8.190
  162    H    CYS  24           HN       CYS  24   0.369   1.647   2.364
  163    HA   CYS  24           HA       CYS  24   0.901  -1.125   1.536
  164   1HB   CYS  24          HB2       CYS  24   2.461   1.422   1.579
  165   2HB   CYS  24          HB1       CYS  24   3.347  -0.103   1.575
  166    H    ARG  25           HN       ARG  25   0.654  -2.414   3.167
  167    HA   ARG  25           HA       ARG  25   2.075  -1.892   5.690
  168   1HB   ARG  25          HB2       ARG  25   0.078  -3.912   4.757
  169   2HB   ARG  25          HB1       ARG  25   1.088  -4.264   6.168
  170   1HG   ARG  25          HG2       ARG  25   0.233  -2.232   7.280
  171   2HG   ARG  25          HG1       ARG  25  -0.788  -1.902   5.871
  172   1HD   ARG  25          HD2       ARG  25  -1.925  -3.001   7.787
  173   2HD   ARG  25          HD1       ARG  25  -2.073  -3.826   6.253
  174    HE   ARG  25           HE       ARG  25   0.130  -4.864   7.764
  175   1HH1  ARG  25          HH11      ARG  25  -3.380  -4.897   7.722
  176   2HH1  ARG  25          HH12      ARG  25  -3.459  -6.479   8.392
  177   1HH2  ARG  25          HH21      ARG  25  -0.011  -6.941   8.602
  178   2HH2  ARG  25          HH22      ARG  25  -1.566  -7.644   8.898
  179    H    TYR  26           HN       TYR  26   3.211  -3.782   6.585
  180    HA   TYR  26           HA       TYR  26   5.609  -4.008   5.168
  181   1HB   TYR  26          HB2       TYR  26   4.510  -5.666   7.457
  182   2HB   TYR  26          HB1       TYR  26   6.168  -5.812   6.862
  183    HD1  TYR  26           HD1      TYR  26   7.838  -4.177   7.427
  184    HD2  TYR  26           HD2      TYR  26   3.754  -3.548   8.547
  185    HE1  TYR  26           HE1      TYR  26   8.512  -2.344   8.897
  186    HE2  TYR  26           HE2      TYR  26   4.443  -1.720  10.015
  187    HH   TYR  26           HH       TYR  26   6.828  -1.147  11.291
  188    H    GLY  27           HN       GLY  27   5.232  -4.649   3.131
  189   1HA   GLY  27          HA2       GLY  27   5.917  -6.591   1.881
  190   2HA   GLY  27          HA1       GLY  27   4.806  -7.588   2.797
  191    H    LYS  28           HN       LYS  28   2.630  -5.596   2.692
  192    HA   LYS  28           HA       LYS  28   1.924  -5.846  -0.164
  193   1HB   LYS  28          HB2       LYS  28  -0.161  -6.994   0.361
  194   2HB   LYS  28          HB1       LYS  28   1.253  -7.925   0.852
  195   1HG   LYS  28          HG2       LYS  28   0.939  -7.469   3.140
  196   2HG   LYS  28          HG1       LYS  28  -0.293  -6.229   2.831
  197   1HD   LYS  28          HD2       LYS  28  -1.814  -7.926   1.942
  198   2HD   LYS  28          HD1       LYS  28  -0.591  -9.183   2.203
  199   1HE   LYS  28          HE2       LYS  28  -1.751  -7.467   4.414
  200   2HE   LYS  28          HE1       LYS  28  -2.358  -9.047   3.935
  201   1HZ   LYS  28          HZ1       LYS  28   0.322  -8.445   5.066
  202   2HZ   LYS  28          HZ2       LYS  28  -0.091  -9.955   4.398
  203   3HZ   LYS  28          HZ3       LYS  28  -0.922  -9.362   5.741
  204    H    CYS  29           HN       CYS  29   0.413  -4.656  -0.893
  205    HA   CYS  29           HA       CYS  29  -0.432  -2.322   0.655
  206   1HB   CYS  29          HB2       CYS  29   0.597  -2.092  -1.610
  207   2HB   CYS  29          HB1       CYS  29  -0.756  -2.891  -2.300
  208    H    LEU  30           HN       LEU  30  -2.445  -1.993   1.220
  209    HA   LEU  30           HA       LEU  30  -4.584  -3.660   0.132
  210   1HB   LEU  30          HB2       LEU  30  -5.453  -4.077   2.437
  211   2HB   LEU  30          HB1       LEU  30  -4.002  -4.933   1.971
  212    HG   LEU  30           HG       LEU  30  -2.669  -3.138   3.236
  213   1HD1  LEU  30          HD11      LEU  30  -4.071  -2.150   5.136
  214   2HD1  LEU  30          HD12      LEU  30  -5.476  -2.426   4.110
  215   3HD1  LEU  30          HD13      LEU  30  -4.163  -1.381   3.576
  216   1HD2  LEU  30          HD21      LEU  30  -3.820  -4.262   5.476
  217   2HD2  LEU  30          HD22      LEU  30  -2.533  -4.948   4.494
  218   3HD2  LEU  30          HD23      LEU  30  -4.200  -5.432   4.220
  219    H    VAL  31           HN       VAL  31  -6.627  -2.939   0.470
  220    HA   VAL  31           HA       VAL  31  -6.876  -0.100   0.276
  221    HB   VAL  31           HB       VAL  31  -8.422  -1.512  -0.940
  222   1HG1  VAL  31          HG11      VAL  31  -9.659  -2.349   1.676
  223   2HG1  VAL  31          HG12      VAL  31  -8.534  -3.365   0.766
  224   3HG1  VAL  31          HG13      VAL  31 -10.059  -2.880   0.053
  225   1HG2  VAL  31          HG21      VAL  31  -9.112   0.783  -0.159
  226   2HG2  VAL  31          HG22      VAL  31 -10.035  -0.030   1.117
  227   3HG2  VAL  31          HG23      VAL  31 -10.400  -0.338  -0.572
  228    H    GLN  32           HN       GLN  32  -6.952   1.300   1.738
  229    HA   GLN  32           HA       GLN  32  -7.250   0.470   4.542
  230   1HB   GLN  32          HB2       GLN  32  -5.387   1.910   3.841
  231   2HB   GLN  32          HB1       GLN  32  -6.507   3.168   3.353
  232   1HG   GLN  32          HG2       GLN  32  -7.307   3.349   5.690
  233   2HG   GLN  32          HG1       GLN  32  -6.163   2.084   6.163
  234   1HE2  GLN  32          HE21      GLN  32  -6.423   4.865   7.060
  235   2HE2  GLN  32          HE22      GLN  32  -4.881   5.572   6.733
  236    H    VAL  33           HN       VAL  33  -8.928   0.799   5.663
  237    HA   VAL  33           HA       VAL  33 -11.362   1.797   4.430
  238    HB   VAL  33           HB       VAL  33 -12.461   1.158   6.552
  239   1HG1  VAL  33          HG11      VAL  33 -12.117  -1.223   6.379
  240   2HG1  VAL  33          HG12      VAL  33 -10.623  -0.990   5.476
  241   3HG1  VAL  33          HG13      VAL  33 -12.176  -0.502   4.774
  242   1HG2  VAL  33          HG21      VAL  33  -9.647   0.471   7.472
  243   2HG2  VAL  33          HG22      VAL  33 -11.123  -0.076   8.244
  244   3HG2  VAL  33          HG23      VAL  33 -10.760   1.635   8.203
  245   1HG   HSL  34          HG1       HSL  34 -12.164   7.822   3.739
  246   2HG   HSL  34          HG2       HSL  34 -11.336   8.389   5.205
  247    H    HSL  34           HN       HSL  34 -12.311   3.623   4.702
  248    HA   HSL  34           HA       HSL  34 -11.278   5.582   6.873
  249   1HB   HSL  34          HB1       HSL  34 -11.288   5.772   3.925
  250   2HB   HSL  34          HB2       HSL  34 -10.174   6.474   5.104
  Start of MODEL   25
    1   1H    ALA   1           HT1      ALA   1   1.342   3.917 -13.753
    2   2H    ALA   1           HT2      ALA   1   2.467   3.329 -12.636
    3   3H    ALA   1           HT3      ALA   1   1.650   4.795 -12.344
    4    HA   ALA   1           HA       ALA   1  -0.466   3.635 -12.238
    5   1HB   ALA   1          HB1       ALA   1   1.207   1.122 -12.537
    6   2HB   ALA   1          HB2       ALA   1   0.112   1.806 -13.733
    7   3HB   ALA   1          HB3       ALA   1  -0.539   1.179 -12.223
    8    H    CYS   2           HN       CYS   2  -1.196   3.469 -10.271
    9    HA   CYS   2           HA       CYS   2   0.781   3.530  -8.091
   10   1HB   CYS   2          HB2       CYS   2  -1.185   4.293  -6.743
   11   2HB   CYS   2          HB1       CYS   2  -0.718   5.344  -8.035
   12    H    GLY   3           HN       GLY   3   0.626   2.289  -6.309
   13   1HA   GLY   3          HA2       GLY   3   0.082  -0.419  -6.643
   14   2HA   GLY   3          HA1       GLY   3   0.448   0.386  -5.126
   15    H    ILE   4           HN       ILE   4  -1.422  -1.745  -5.746
   16    HA   ILE   4           HA       ILE   4  -3.971  -0.549  -4.814
   17    HB   ILE   4           HB       ILE   4  -5.152  -2.305  -6.181
   18   1HG1  ILE   4          HG12      ILE   4  -2.388  -2.652  -7.409
   19   2HG1  ILE   4          HG11      ILE   4  -3.299  -3.885  -6.534
   20   1HG2  ILE   4          HG21      ILE   4  -4.959   0.055  -6.874
   21   2HG2  ILE   4          HG22      ILE   4  -5.094  -1.063  -8.217
   22   3HG2  ILE   4          HG23      ILE   4  -3.521  -0.351  -7.822
   23   1HD1  ILE   4          HD11      ILE   4  -3.905  -2.698  -9.220
   24   2HD1  ILE   4          HD12      ILE   4  -5.041  -3.724  -8.332
   25   3HD1  ILE   4          HD13      ILE   4  -3.467  -4.352  -8.809
   26    H    LEU   5           HN       LEU   5  -5.472  -2.294  -4.130
   27    HA   LEU   5           HA       LEU   5  -4.451  -3.180  -1.670
   28   1HB   LEU   5          HB2       LEU   5  -6.657  -4.010  -1.224
   29   2HB   LEU   5          HB1       LEU   5  -6.739  -2.488  -2.080
   30    HG   LEU   5           HG       LEU   5  -6.949  -4.122  -4.210
   31   1HD1  LEU   5          HD11      LEU   5  -6.888  -6.239  -3.111
   32   2HD1  LEU   5          HD12      LEU   5  -8.554  -5.942  -3.536
   33   3HD1  LEU   5          HD13      LEU   5  -8.029  -5.714  -1.872
   34   1HD2  LEU   5          HD21      LEU   5  -9.255  -3.370  -2.420
   35   2HD2  LEU   5          HD22      LEU   5  -9.320  -3.780  -4.134
   36   3HD2  LEU   5          HD23      LEU   5  -8.485  -2.318  -3.622
   37    H    HIS   6           HN       HIS   6  -4.092  -4.637  -4.649
   38    HA   HIS   6           HA       HIS   6  -3.153  -7.090  -3.320
   39   1HB   HIS   6          HB2       HIS   6  -3.964  -8.374  -5.363
   40   2HB   HIS   6          HB1       HIS   6  -5.197  -7.808  -4.254
   41    HD1  HIS   6           HD1      HIS   6  -4.157  -7.610  -7.784
   42    HD2  HIS   6           HD2      HIS   6  -6.809  -5.722  -5.263
   43    HE1  HIS   6           HE1      HIS   6  -5.748  -6.363  -9.268
   44    HE2  HIS   6           HE2      HIS   6  -7.381  -5.262  -7.701
   45    H    ASP   7           HN       ASP   7  -1.679  -4.955  -3.743
   46    HA   ASP   7           HA       ASP   7   0.278  -6.102  -5.664
   47   1HB   ASP   7          HB2       ASP   7  -0.718  -4.076  -6.680
   48   2HB   ASP   7          HB1       ASP   7  -0.299  -3.133  -5.257
   49    H    ASN   8           HN       ASN   8   2.153  -6.451  -4.814
   50    HA   ASN   8           HA       ASN   8   2.504  -6.140  -2.008
   51   1HB   ASN   8          HB2       ASN   8   4.309  -7.182  -4.154
   52   2HB   ASN   8          HB1       ASN   8   4.820  -7.097  -2.463
   53   1HD2  ASN   8          HD21      ASN   8   2.726  -8.697  -4.764
   54   2HD2  ASN   8          HD22      ASN   8   2.283  -9.984  -3.701
   55    H    CYS   9           HN       CYS   9   4.211  -5.060  -0.921
   56    HA   CYS   9           HA       CYS   9   5.405  -2.765  -2.143
   57   1HB   CYS   9          HB2       CYS   9   3.048  -2.006  -2.106
   58   2HB   CYS   9          HB1       CYS   9   2.971  -2.268  -0.368
   59    H    VAL  10           HN       VAL  10   6.526  -1.462  -0.737
   60    HA   VAL  10           HA       VAL  10   7.458  -2.855   1.682
   61    HB   VAL  10           HB       VAL  10   8.587  -0.416   0.251
   62   1HG1  VAL  10          HG11      VAL  10   9.353  -0.356   2.513
   63   2HG1  VAL  10          HG12      VAL  10  10.647  -1.055   1.560
   64   3HG1  VAL  10          HG13      VAL  10   9.633  -2.104   2.545
   65   1HG2  VAL  10          HG21      VAL  10  10.269  -1.913  -0.616
   66   2HG2  VAL  10          HG22      VAL  10   8.674  -2.419  -1.159
   67   3HG2  VAL  10          HG23      VAL  10   9.492  -3.301   0.144
   68    H    TYR  11           HN       TYR  11   7.681  -1.837   3.562
   69    HA   TYR  11           HA       TYR  11   5.512  -0.186   4.427
   70   1HB   TYR  11          HB2       TYR  11   6.780  -0.283   6.662
   71   2HB   TYR  11          HB1       TYR  11   6.230  -1.795   5.960
   72    HD1  TYR  11           HD1      TYR  11   9.170   0.157   6.919
   73    HD2  TYR  11           HD2      TYR  11   7.834  -3.379   4.907
   74    HE1  TYR  11           HE1      TYR  11  11.438  -0.760   7.004
   75    HE2  TYR  11           HE2      TYR  11  10.102  -4.277   4.996
   76    HH   TYR  11           HH       TYR  11  12.582  -3.047   5.166
   77    H    VAL  12           HN       VAL  12   6.102   1.461   2.792
   78    HA   VAL  12           HA       VAL  12   7.579   3.611   4.157
   79    HB   VAL  12           HB       VAL  12   9.182   2.760   2.567
   80   1HG1  VAL  12          HG11      VAL  12   7.481   1.735   0.987
   81   2HG1  VAL  12          HG12      VAL  12   8.845   2.568   0.261
   82   3HG1  VAL  12          HG13      VAL  12   7.279   3.352   0.300
   83   1HG2  VAL  12          HG21      VAL  12   8.064   5.316   1.408
   84   2HG2  VAL  12          HG22      VAL  12   9.731   4.774   1.509
   85   3HG2  VAL  12          HG23      VAL  12   8.889   5.253   2.975
   86    HA   PRO  13           HA       PRO  13   3.321   4.854   2.964
   87   1HB   PRO  13          HB2       PRO  13   3.572   6.368   5.496
   88   2HB   PRO  13          HB1       PRO  13   2.342   5.221   4.958
   89   1HG   PRO  13          HG2       PRO  13   4.124   4.618   6.864
   90   2HG   PRO  13          HG1       PRO  13   3.514   3.394   5.734
   91   1HD   PRO  13          HD2       PRO  13   6.132   4.877   5.716
   92   2HD   PRO  13          HD1       PRO  13   5.759   3.169   5.424
   93    H    ALA  14           HN       ALA  14   6.096   6.581   4.171
   94    HA   ALA  14           HA       ALA  14   5.484   9.206   3.848
   95   1HB   ALA  14          HB1       ALA  14   7.566   8.367   4.782
   96   2HB   ALA  14          HB2       ALA  14   7.876   9.611   3.578
   97   3HB   ALA  14          HB3       ALA  14   8.137   7.900   3.184
   98    H    GLN  15           HN       GLN  15   6.573   6.929   1.411
   99    HA   GLN  15           HA       GLN  15   5.270   8.613  -0.625
  100   1HB   GLN  15          HB2       GLN  15   7.707   9.081  -0.751
  101   2HB   GLN  15          HB1       GLN  15   8.050   7.365  -0.892
  102   1HG   GLN  15          HG2       GLN  15   8.144   8.597  -3.027
  103   2HG   GLN  15          HG1       GLN  15   7.013   7.264  -3.077
  104   1HE2  GLN  15          HE21      GLN  15   7.408  10.724  -3.136
  105   2HE2  GLN  15          HE22      GLN  15   5.774  11.080  -3.567
  106    H    ASN  16           HN       ASN  16   3.887   6.889   0.358
  107    HA   ASN  16           HA       ASN  16   4.087   4.244  -0.562
  108   1HB   ASN  16          HB2       ASN  16   1.548   4.183  -0.217
  109   2HB   ASN  16          HB1       ASN  16   2.572   4.541   1.149
  110   1HD2  ASN  16          HD21      ASN  16   1.813   6.994  -1.321
  111   2HD2  ASN  16          HD22      ASN  16   0.858   7.904  -0.266
  112    HA   PRO  17           HA       PRO  17   3.555   5.027  -4.898
  113   1HB   PRO  17          HB2       PRO  17   3.683   2.451  -5.692
  114   2HB   PRO  17          HB1       PRO  17   5.081   3.293  -5.014
  115   1HG   PRO  17          HG2       PRO  17   3.144   1.473  -3.584
  116   2HG   PRO  17          HG1       PRO  17   4.919   1.407  -3.640
  117   1HD   PRO  17          HD2       PRO  17   3.650   2.534  -1.618
  118   2HD   PRO  17          HD1       PRO  17   5.183   3.203  -2.194
  119    H    CYS  18           HN       CYS  18   1.397   3.679  -2.772
  120    HA   CYS  18           HA       CYS  18  -0.443   2.506  -4.560
  121   1HB   CYS  18          HB2       CYS  18  -0.628   3.178  -1.631
  122   2HB   CYS  18          HB1       CYS  18  -1.795   2.262  -2.561
  123    H    CYS  19           HN       CYS  19  -2.477   3.066  -4.944
  124    HA   CYS  19           HA       CYS  19  -2.938   5.777  -5.685
  125   1HB   CYS  19          HB2       CYS  19  -5.117   3.706  -5.243
  126   2HB   CYS  19          HB1       CYS  19  -5.082   5.052  -6.383
  127    H    ARG  20           HN       ARG  20  -4.181   7.303  -4.799
  128    HA   ARG  20           HA       ARG  20  -4.079   7.645  -1.995
  129   1HB   ARG  20          HB2       ARG  20  -5.935   9.010  -3.980
  130   2HB   ARG  20          HB1       ARG  20  -5.577   9.576  -2.334
  131   1HG   ARG  20          HG2       ARG  20  -3.256   9.957  -2.927
  132   2HG   ARG  20          HG1       ARG  20  -3.523   9.305  -4.550
  133   1HD   ARG  20          HD2       ARG  20  -4.676  11.810  -3.342
  134   2HD   ARG  20          HD1       ARG  20  -3.536  11.670  -4.685
  135    HE   ARG  20           HE       ARG  20  -5.602  10.305  -5.698
  136   1HH1  ARG  20          HH11      ARG  20  -5.431  13.489  -4.194
  137   2HH1  ARG  20          HH12      ARG  20  -6.857  14.033  -4.979
  138   1HH2  ARG  20          HH21      ARG  20  -7.490  11.047  -6.671
  139   2HH2  ARG  20          HH22      ARG  20  -8.031  12.669  -6.392
  140    H    GLY  21           HN       GLY  21  -5.053   6.571  -0.556
  141   1HA   GLY  21          HA2       GLY  21  -7.275   6.065   0.412
  142   2HA   GLY  21          HA1       GLY  21  -7.723   5.345  -1.127
  143    H    LEU  22           HN       LEU  22  -4.782   4.429  -1.257
  144    HA   LEU  22           HA       LEU  22  -5.164   1.939   0.314
  145   1HB   LEU  22          HB2       LEU  22  -3.440   2.659  -2.048
  146   2HB   LEU  22          HB1       LEU  22  -3.251   1.163  -1.176
  147    HG   LEU  22           HG       LEU  22  -4.462   0.794  -3.210
  148   1HD1  LEU  22          HD11      LEU  22  -5.088  -0.510  -1.193
  149   2HD1  LEU  22          HD12      LEU  22  -6.370  -0.333  -2.373
  150   3HD1  LEU  22          HD13      LEU  22  -6.409   0.634  -0.912
  151   1HD2  LEU  22          HD21      LEU  22  -6.659   2.603  -2.247
  152   2HD2  LEU  22          HD22      LEU  22  -6.432   1.870  -3.820
  153   3HD2  LEU  22          HD23      LEU  22  -5.387   3.163  -3.312
  154    H    GLN  23           HN       GLN  23  -3.272   0.985   1.218
  155    HA   GLN  23           HA       GLN  23  -1.054   2.777   1.913
  156   1HB   GLN  23          HB2       GLN  23  -2.705   3.209   3.664
  157   2HB   GLN  23          HB1       GLN  23  -2.868   1.481   4.000
  158   1HG   GLN  23          HG2       GLN  23  -0.428   1.465   4.674
  159   2HG   GLN  23          HG1       GLN  23  -0.407   3.216   4.427
  160   1HE2  GLN  23          HE21      GLN  23  -1.452   4.543   5.931
  161   2HE2  GLN  23          HE22      GLN  23  -1.969   3.912   7.454
  162    H    CYS  24           HN       CYS  24   0.763   1.773   2.262
  163    HA   CYS  24           HA       CYS  24   0.907  -1.028   1.527
  164   1HB   CYS  24          HB2       CYS  24   3.057   0.960   2.221
  165   2HB   CYS  24          HB1       CYS  24   3.359  -0.708   1.715
  166    H    ARG  25           HN       ARG  25   0.630  -2.545   2.847
  167    HA   ARG  25           HA       ARG  25   1.443  -2.319   5.667
  168   1HB   ARG  25          HB2       ARG  25  -0.785  -3.343   4.974
  169   2HB   ARG  25          HB1       ARG  25   0.095  -4.643   4.201
  170   1HG   ARG  25          HG2       ARG  25  -0.639  -5.388   6.318
  171   2HG   ARG  25          HG1       ARG  25   1.104  -5.249   6.418
  172   1HD   ARG  25          HD2       ARG  25   0.898  -3.142   7.598
  173   2HD   ARG  25          HD1       ARG  25  -0.849  -3.127   7.382
  174    HE   ARG  25           HE       ARG  25   0.768  -4.838   9.167
  175   1HH1  ARG  25          HH11      ARG  25  -2.414  -3.861   8.012
  176   2HH1  ARG  25          HH12      ARG  25  -3.218  -4.487   9.388
  177   1HH2  ARG  25          HH21      ARG  25  -0.351  -5.676  10.981
  178   2HH2  ARG  25          HH22      ARG  25  -2.075  -5.525  11.074
  179    H    TYR  26           HN       TYR  26   2.756  -3.951   6.546
  180    HA   TYR  26           HA       TYR  26   5.194  -4.292   5.245
  181   1HB   TYR  26          HB2       TYR  26   4.000  -5.744   7.621
  182   2HB   TYR  26          HB1       TYR  26   5.666  -5.993   7.080
  183    HD1  TYR  26           HD1      TYR  26   3.302  -3.262   8.123
  184    HD2  TYR  26           HD2      TYR  26   7.347  -4.653   7.985
  185    HE1  TYR  26           HE1      TYR  26   4.005  -1.350   9.458
  186    HE2  TYR  26           HE2      TYR  26   8.053  -2.686   9.255
  187    HH   TYR  26           HH       TYR  26   6.209  -1.032  11.136
  188    H    GLY  27           HN       GLY  27   4.956  -5.064   3.289
  189   1HA   GLY  27          HA2       GLY  27   5.525  -7.286   2.309
  190   2HA   GLY  27          HA1       GLY  27   4.012  -7.881   2.971
  191    H    LYS  28           HN       LYS  28   2.366  -5.678   2.444
  192    HA   LYS  28           HA       LYS  28   2.406  -5.134  -0.371
  193   1HB   LYS  28          HB2       LYS  28   0.423  -6.417  -0.980
  194   2HB   LYS  28          HB1       LYS  28   1.731  -7.468  -0.444
  195   1HG   LYS  28          HG2       LYS  28   0.726  -7.769   1.718
  196   2HG   LYS  28          HG1       LYS  28  -0.563  -6.602   1.345
  197   1HD   LYS  28          HD2       LYS  28  -1.375  -8.049  -0.457
  198   2HD   LYS  28          HD1       LYS  28  -0.086  -9.219  -0.114
  199   1HE   LYS  28          HE2       LYS  28  -2.257  -8.392   1.827
  200   2HE   LYS  28          HE1       LYS  28  -2.234  -9.855   0.852
  201   1HZ   LYS  28          HZ1       LYS  28  -0.420  -9.145   3.087
  202   2HZ   LYS  28          HZ2       LYS  28  -0.042 -10.388   1.989
  203   3HZ   LYS  28          HZ3       LYS  28  -1.442 -10.476   2.925
  204    H    CYS  29           HN       CYS  29   0.478  -4.211  -1.185
  205    HA   CYS  29           HA       CYS  29  -0.284  -2.079   0.631
  206   1HB   CYS  29          HB2       CYS  29   0.524  -1.741  -1.708
  207   2HB   CYS  29          HB1       CYS  29  -0.971  -2.420  -2.288
  208    H    LEU  30           HN       LEU  30  -2.142  -1.783   1.499
  209    HA   LEU  30           HA       LEU  30  -4.473  -3.445   0.680
  210   1HB   LEU  30          HB2       LEU  30  -3.532  -2.816   3.502
  211   2HB   LEU  30          HB1       LEU  30  -5.054  -3.611   3.099
  212    HG   LEU  30           HG       LEU  30  -2.290  -4.736   2.566
  213   1HD1  LEU  30          HD11      LEU  30  -2.857  -4.659   4.954
  214   2HD1  LEU  30          HD12      LEU  30  -2.822  -6.300   4.322
  215   3HD1  LEU  30          HD13      LEU  30  -4.373  -5.516   4.619
  216   1HD2  LEU  30          HD21      LEU  30  -3.599  -6.818   2.114
  217   2HD2  LEU  30          HD22      LEU  30  -3.793  -5.587   0.890
  218   3HD2  LEU  30          HD23      LEU  30  -5.069  -5.856   2.084
  219    H    VAL  31           HN       VAL  31  -6.424  -2.626   1.810
  220    HA   VAL  31           HA       VAL  31  -6.728   0.162   1.020
  221    HB   VAL  31           HB       VAL  31  -9.149  -0.210   1.463
  222   1HG1  VAL  31          HG11      VAL  31  -7.946  -2.357  -0.257
  223   2HG1  VAL  31          HG12      VAL  31  -8.154  -0.678  -0.758
  224   3HG1  VAL  31          HG13      VAL  31  -9.551  -1.669  -0.377
  225   1HG2  VAL  31          HG21      VAL  31  -8.298  -3.044   2.160
  226   2HG2  VAL  31          HG22      VAL  31  -9.938  -2.468   1.939
  227   3HG2  VAL  31          HG23      VAL  31  -8.993  -1.869   3.281
  228    H    GLN  32           HN       GLN  32  -7.323   1.794   2.212
  229    HA   GLN  32           HA       GLN  32  -6.720   1.720   5.074
  230   1HB   GLN  32          HB2       GLN  32  -7.711   3.938   3.241
  231   2HB   GLN  32          HB1       GLN  32  -7.313   4.149   4.960
  232   1HG   GLN  32          HG2       GLN  32  -4.987   3.543   4.504
  233   2HG   GLN  32          HG1       GLN  32  -5.376   3.300   2.797
  234   1HE2  GLN  32          HE21      GLN  32  -3.928   4.931   2.131
  235   2HE2  GLN  32          HE22      GLN  32  -4.268   6.580   2.380
  236    H    VAL  33           HN       VAL  33  -8.177   0.482   6.002
  237    HA   VAL  33           HA       VAL  33 -11.039   0.776   5.515
  238    HB   VAL  33           HB       VAL  33  -9.663  -0.786   7.736
  239   1HG1  VAL  33          HG11      VAL  33 -12.001  -0.504   8.211
  240   2HG1  VAL  33          HG12      VAL  33 -11.770  -2.126   7.588
  241   3HG1  VAL  33          HG13      VAL  33 -12.450  -0.886   6.541
  242   1HG2  VAL  33          HG21      VAL  33  -9.852  -2.731   6.307
  243   2HG2  VAL  33          HG22      VAL  33  -8.802  -1.531   5.570
  244   3HG2  VAL  33          HG23      VAL  33 -10.458  -1.747   4.977
  245   1HG   HSL  34          HG1       HSL  34 -12.028   7.159   6.689
  246   2HG   HSL  34          HG2       HSL  34 -11.436   7.025   8.358
  247    H    HSL  34           HN       HSL  34 -11.027   3.014   5.897
  248    HA   HSL  34           HA       HSL  34 -10.901   3.805   8.450
  249   1HB   HSL  34          HB1       HSL  34 -10.755   5.451   6.002
  250   2HB   HSL  34          HB2       HSL  34  -9.895   5.619   7.536