*HEADER    MEMBRANE PROTEIN, METAL TRANSPORT       14-JUN-05   1ZZV              
*TITLE     TBA                                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IRON(III) DICITRATE TRANSPORT PROTEIN FECA;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL RESIDUES;                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: FECA;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21-DE3                                   
*KEYWDS    MEMBRANE PROTEIN, METAL TRANSPORT, PROTEIN NMR                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.D.FERGUSON, C.A.AMEZCUA, Y.CHELLIAH, M.K.ROSEN,                     
*AUTHOR   2 J.DEISENHOFER                                                        
*REVDAT   1   26-SEP-06 1ZZV    0                                                


 ASSI {    1}
   (( segid "FecA" and resid 32   and name HN  ))
   (( segid "FecA" and resid 31   and name HN  ))
      2.400     0.700     0.700 peak     1 spectrum    1 weight  0.11000E+01 volume  0.63563E-02 ppm1      7.139 ppm2      8.062 CV     1
 ASSI {    2}
   (( segid "FecA" and resid 32   and name HN  ))
   (( segid "FecA" and resid 32   and name HA  ))
      2.700     0.900     0.900 peak     2 spectrum    1 weight  0.11000E+01 volume  0.48821E-02 ppm1      7.139 ppm2      4.112 CV     1
 ASSI {    3}
   (( segid "FecA" and resid 32   and name HN  ))
   (( segid "FecA" and resid 31   and name HB2 ))
      2.900     1.000     1.000 peak     3 spectrum    1 weight  0.11000E+01 volume  0.23061E-02 ppm1      7.138 ppm2      1.946 CV     1
 ASSI {    4}
   (( segid "FecA" and resid 32   and name HN  ))
   (( segid "FecA" and resid 31   and name HG  ))
      4.100     2.100     1.900 peak     4 spectrum    1 weight  0.11000E+01 volume  0.15423E-02 ppm1      7.138 ppm2      1.732 CV     1
 ASSI {    5}
   (( segid "FecA" and resid 32   and name HN  ))
   (( segid "FecA" and resid 31   and name HB1 ))
      4.000     2.000     2.000 peak     5 spectrum    1 weight  0.11000E+01 volume  0.11896E-02 ppm1      7.140 ppm2      1.508 CV     1
 ASSI {    6}
   (( segid "FecA" and resid 32   and name HN  ))
   (  segid "FecA" and resid 32   and name HG2%)
      2.900     1.000     1.000 peak     6 spectrum    1 weight  0.11000E+01 volume  0.43451E-02 ppm1      7.139 ppm2      0.825 CV     1
 ASSI {    7}
   (( segid "FecA" and resid 6    and name HN  ))
   (( segid "FecA" and resid 5    and name HN  ))
      4.300     2.300     1.700 peak     7 spectrum    1 weight  0.11000E+01 volume  0.80788E-03 ppm1      8.626 ppm2      9.106 CV     1
 ASSI {    8}
   (( segid "FecA" and resid 6    and name HN  ))
   (( segid "FecA" and resid 6    and name HA  ))
      3.000     1.200     1.200 peak     8 spectrum    1 weight  0.11000E+01 volume  0.18233E-02 ppm1      8.627 ppm2      4.508 CV     1
 ASSI {    9}
   (( segid "FecA" and resid 6    and name HN  ))
   (( segid "FecA" and resid 5    and name HA  ))
      2.200     0.600     0.600 peak     9 spectrum    1 weight  0.11000E+01 volume  0.88508E-02 ppm1      8.627 ppm2      4.206 CV     1
 ASSI {   10}
   (( segid "FecA" and resid 6    and name HN  ))
   (( segid "FecA" and resid 7    and name HD2 ))
      6.000     5.300     0.000 peak    10 spectrum    1 weight  0.11000E+01 volume  0.17949E-03 ppm1      8.625 ppm2      3.797 CV     1
 ASSI {   11}
   (( segid "FecA" and resid 6    and name HN  ))
   (( segid "FecA" and resid 7    and name HD1 ))
      5.800     4.200     0.200 peak    11 spectrum    1 weight  0.11000E+01 volume  0.29477E-03 ppm1      8.629 ppm2      3.607 CV     1
 ASSI {   12}
   (( segid "FecA" and resid 6    and name HN  ))
   (( segid "FecA" and resid 5    and name HB  ))
      4.400     2.400     1.600 peak    12 spectrum    1 weight  0.11000E+01 volume  0.50777E-03 ppm1      8.630 ppm2      1.581 CV     1
 ASSI {   13}
   (( segid "FecA" and resid 6    and name HN  ))
   (  segid "FecA" and resid 6    and name HB% )
      2.500     0.800     0.800 peak    13 spectrum    1 weight  0.11000E+01 volume  0.61409E-02 ppm1      8.627 ppm2      1.408 CV     1
 ASSI {   14}
   (( segid "FecA" and resid 6    and name HN  ))
   (( segid "FecA" and resid 5    and name HG12))
      4.800     2.900     1.200 peak    14 spectrum    1 weight  0.11000E+01 volume  0.70168E-03 ppm1      8.625 ppm2      1.177 CV     1
 OR {   14}
   (( segid "FecA" and resid 6    and name HN  ))
   (( segid "FecA" and resid 5    and name HG11))
 ASSI {   15}
   (( segid "FecA" and resid 6    and name HN  ))
   (  segid "FecA" and resid 5    and name HG2%)
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.11000E+01 volume  0.25534E-02 ppm1      8.627 ppm2      0.959 CV     1
 ASSI {   16}
   (( segid "FecA" and resid 6    and name HN  ))
   (  segid "FecA" and resid 5    and name HD1%)
      5.400     3.600     0.600 peak    16 spectrum    1 weight  0.11000E+01 volume  0.46526E-03 ppm1      8.628 ppm2      0.691 CV     1
 ASSI {   17}
   (( segid "FecA" and resid 29   and name HN  ))
   (  segid "FecA" and resid 27   and name HG1%)
      3.500     1.500     1.500 peak    17 spectrum    1 weight  0.11000E+01 volume  0.34197E-03 ppm1      8.846 ppm2      0.797 CV     1
 ASSI {   18}
   (( segid "FecA" and resid 29   and name HN  ))
   (  segid "FecA" and resid 27   and name HG2%)
      4.800     2.900     1.200 peak    18 spectrum    1 weight  0.11000E+01 volume  0.21830E-03 ppm1      8.848 ppm2      0.926 CV     1
 ASSI {   19}
   (( segid "FecA" and resid 29   and name HN  ))
   (  segid "FecA" and resid 29   and name HB% )
      2.600     0.900     0.900 peak    19 spectrum    1 weight  0.11000E+01 volume  0.56761E-02 ppm1      8.847 ppm2      1.489 CV     1
 ASSI {   20}
   (( segid "FecA" and resid 29   and name HN  ))
   (( segid "FecA" and resid 28   and name HB1 ))
      4.200     2.200     1.800 peak    20 spectrum    1 weight  0.11000E+01 volume  0.76943E-03 ppm1      8.847 ppm2      2.689 CV     1
 ASSI {   21}
   (( segid "FecA" and resid 29   and name HN  ))
   (( segid "FecA" and resid 28   and name HB2 ))
      5.100     3.200     0.900 peak    21 spectrum    1 weight  0.11000E+01 volume  0.50333E-03 ppm1      8.847 ppm2      2.808 CV     1
 ASSI {   22}
   (( segid "FecA" and resid 29   and name HN  ))
   (( segid "FecA" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak    22 spectrum    1 weight  0.11000E+01 volume  0.23615E-02 ppm1      8.849 ppm2      4.184 CV     1
 ASSI {   23}
   (( segid "FecA" and resid 29   and name HN  ))
   (( segid "FecA" and resid 28   and name HA  ))
      2.400     0.700     0.700 peak    23 spectrum    1 weight  0.11000E+01 volume  0.71958E-02 ppm1      8.848 ppm2      4.632 CV     1
 ASSI {   24}
   (( segid "FecA" and resid 29   and name HN  ))
   (( segid "FecA" and resid 28   and name HN  ))
      4.900     3.000     1.100 peak    24 spectrum    1 weight  0.11000E+01 volume  0.42424E-03 ppm1      8.846 ppm2      8.260 CV     1
 ASSI {   25}
   (( segid "FecA" and resid 28   and name HN  ))
   (( segid "FecA" and resid 28   and name HA  ))
      3.000     1.100     1.100 peak    25 spectrum    1 weight  0.11000E+01 volume  0.20993E-02 ppm1      8.240 ppm2      4.627 CV     1
 ASSI {   26}
   (( segid "FecA" and resid 28   and name HN  ))
   (( segid "FecA" and resid 27   and name HA  ))
      2.200     0.600     0.600 peak    26 spectrum    1 weight  0.11000E+01 volume  0.94338E-02 ppm1      8.242 ppm2      4.400 CV     1
 ASSI {   27}
   (( segid "FecA" and resid 28   and name HN  ))
   (( segid "FecA" and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak    27 spectrum    1 weight  0.11000E+01 volume  0.72563E-02 ppm1      8.242 ppm2      2.799 CV     1
 ASSI {   28}
   (( segid "FecA" and resid 28   and name HN  ))
   (( segid "FecA" and resid 28   and name HB1 ))
      3.000     1.100     1.100 peak    28 spectrum    1 weight  0.11000E+01 volume  0.43389E-02 ppm1      8.241 ppm2      2.695 CV     1
 ASSI {   29}
   (( segid "FecA" and resid 28   and name HN  ))
   (( segid "FecA" and resid 27   and name HB  ))
      4.600     2.600     1.400 peak    29 spectrum    1 weight  0.11000E+01 volume  0.63047E-03 ppm1      8.241 ppm2      2.027 CV     1
 ASSI {   30}
   (( segid "FecA" and resid 28   and name HN  ))
   (( segid "FecA" and resid 71   and name HB2 ))
      4.500     2.500     1.500 peak    30 spectrum    1 weight  0.11000E+01 volume  0.36894E-03 ppm1      8.240 ppm2      1.698 CV     1
 ASSI {   32}
   (( segid "FecA" and resid 28   and name HN  ))
   (  segid "FecA" and resid 27   and name HG2%)
      2.900     1.100     1.100 peak    32 spectrum    1 weight  0.11000E+01 volume  0.27888E-02 ppm1      8.242 ppm2      0.960 CV     1
 ASSI {   33}
   (( segid "FecA" and resid 28   and name HN  ))
   (  segid "FecA" and resid 27   and name HG1%)
      3.800     1.800     1.800 peak    33 spectrum    1 weight  0.11000E+01 volume  0.19724E-02 ppm1      8.242 ppm2      0.818 CV     1
 ASSI {   34}
   (( segid "FecA" and resid 28   and name HN  ))
   (( segid "FecA" and resid 27   and name HN  ))
      4.300     2.300     1.700 peak    34 spectrum    1 weight  0.11000E+01 volume  0.77947E-03 ppm1      8.242 ppm2      8.689 CV     1
 ASSI {   35}
   (( segid "FecA" and resid 69   and name HE1 ))
   (( segid "FecA" and resid 69   and name HZ2 ))
      2.900     1.100     1.100 peak    35 spectrum    1 weight  0.11000E+01 volume  0.24527E-02 ppm1     10.049 ppm2      7.279 CV     1
 ASSI {   36}
   (( segid "FecA" and resid 69   and name HE1 ))
   (( segid "FecA" and resid 69   and name HD1 ))
      2.700     0.900     0.900 peak    36 spectrum    1 weight  0.11000E+01 volume  0.31556E-02 ppm1     10.049 ppm2      6.784 CV     1
 ASSI {   37}
   (( segid "FecA" and resid 69   and name HE1 ))
   (  segid "FecA" and resid 17   and name HD% )
      3.600     3.600     2.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.31516E-02 ppm1     10.047 ppm2      6.931 CV     1
 ASSI {   38}
   (( segid "FecA" and resid 69   and name HE1 ))
   (( segid "FecA" and resid 67   and name HA  ))
      3.300     3.300     2.700 peak    38 spectrum    1 weight  0.11000E+01 volume  0.13148E-02 ppm1     10.048 ppm2      4.421 CV     1
 ASSI {   39}
   (( segid "FecA" and resid 69   and name HE1 ))
   (( segid "FecA" and resid 23   and name HB2 ))
      2.800     2.800     3.200 peak    39 spectrum    1 weight  0.11000E+01 volume  0.10953E-02 ppm1     10.048 ppm2      3.415 CV     1
 ASSI {   40}
   (( segid "FecA" and resid 69   and name HE1 ))
   (( segid "FecA" and resid 23   and name HB1 ))
      2.900     2.900     3.100 peak    40 spectrum    1 weight  0.11000E+01 volume  0.91949E-03 ppm1     10.049 ppm2      3.014 CV     1
 ASSI {   41}
   (( segid "FecA" and resid 69   and name HE1 ))
   (( segid "FecA" and resid 63   and name HB1 ))
      3.600     1.600     1.600 peak    41 spectrum    1 weight  0.11000E+01 volume  0.96170E-03 ppm1     10.049 ppm2      1.565 CV     1
 ASSI {   42}
   (( segid "FecA" and resid 69   and name HE1 ))
   (  segid "FecA" and resid 46   and name HG2%)
      4.300     2.300     1.700 peak    42 spectrum    1 weight  0.11000E+01 volume  0.96769E-03 ppm1     10.052 ppm2      0.866 CV     1
 ASSI {   43}
   (( segid "FecA" and resid 69   and name HE1 ))
   (( segid "FecA" and resid 63   and name HG1 ))
      3.000     3.000     3.000 peak    43 spectrum    1 weight  0.11000E+01 volume  0.82684E-03 ppm1     10.045 ppm2      2.051 CV     1
 OR {   43}
   (( segid "FecA" and resid 69   and name HE1 ))
   (( segid "FecA" and resid 63   and name HG2 ))
 ASSI {   44}
   (( segid "FecA" and resid 69   and name HE1 ))
   (  segid "FecA" and resid 46   and name HG1%)
      3.200     1.300     1.300 peak    44 spectrum    1 weight  0.11000E+01 volume  0.14299E-02 ppm1     10.050 ppm2     -0.389 CV     1
 ASSI {   45}
   (( segid "FecA" and resid 25   and name HN  ))
   (( segid "FecA" and resid 25   and name HA  ))
      3.200     1.200     1.200 peak    45 spectrum    1 weight  0.11000E+01 volume  0.12424E-02 ppm1      8.860 ppm2      5.341 CV     1
 ASSI {   46}
   (( segid "FecA" and resid 25   and name HN  ))
   (( segid "FecA" and resid 24   and name HA  ))
      2.300     0.600     0.600 peak    46 spectrum    1 weight  0.11000E+01 volume  0.75645E-02 ppm1      8.860 ppm2      4.561 CV     1
 ASSI {   47}
   (( segid "FecA" and resid 25   and name HN  ))
   (( segid "FecA" and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.11000E+01 volume  0.17624E-02 ppm1      8.858 ppm2      1.732 CV     1
 ASSI {   48}
   (( segid "FecA" and resid 25   and name HN  ))
   (( segid "FecA" and resid 25   and name HB1 ))
      3.700     1.700     1.700 peak    48 spectrum    1 weight  0.11000E+01 volume  0.19262E-02 ppm1      8.859 ppm2      1.505 CV     1
 ASSI {   49}
   (( segid "FecA" and resid 25   and name HN  ))
   (  segid "FecA" and resid 24   and name HG2%)
      3.600     1.600     1.600 peak    49 spectrum    1 weight  0.11000E+01 volume  0.15866E-02 ppm1      8.860 ppm2      1.241 CV     1
 ASSI {   50}
   (( segid "FecA" and resid 25   and name HN  ))
   (  segid "FecA" and resid 25   and name HD1%)
      4.800     2.900     1.200 peak    50 spectrum    1 weight  0.11000E+01 volume  0.70960E-03 ppm1      8.860 ppm2      0.899 CV     1
 ASSI {   51}
   (( segid "FecA" and resid 25   and name HN  ))
   (( segid "FecA" and resid 24   and name HB  ))
      4.400     2.400     1.600 peak    51 spectrum    1 weight  0.11000E+01 volume  0.84892E-03 ppm1      8.860 ppm2      4.254 CV     1
 ASSI {   53}
   (( segid "FecA" and resid 80   and name HN  ))
   (( segid "FecA" and resid 79   and name HN  ))
      3.600     1.700     1.700 peak    53 spectrum    1 weight  0.11000E+01 volume  0.14769E-02 ppm1      8.023 ppm2      8.502 CV     1
 ASSI {   54}
   (( segid "FecA" and resid 80   and name HN  ))
   (( segid "FecA" and resid 80   and name HA  ))
      3.500     1.600     1.600 peak    54 spectrum    1 weight  0.11000E+01 volume  0.10479E-02 ppm1      8.020 ppm2      4.362 CV     1
 ASSI {   55}
   (( segid "FecA" and resid 80   and name HN  ))
   (( segid "FecA" and resid 80   and name HB1 ))
      4.900     3.000     1.100 peak    55 spectrum    1 weight  0.11000E+01 volume  0.25232E-03 ppm1      8.023 ppm2      2.574 CV     1
 ASSI {   56}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 11   and name HN  ))
      2.900     1.000     1.000 peak    56 spectrum    1 weight  0.11000E+01 volume  0.19218E-02 ppm1      8.619 ppm2      8.920 CV     1
 ASSI {   58}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 36   and name HA  ))
      2.700     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.34646E-02 ppm1      8.621 ppm2      4.749 CV     1
 ASSI {   59}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 9    and name HA  ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.11000E+01 volume  0.69957E-02 ppm1      8.620 ppm2      4.390 CV     1
 ASSI {   60}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 9    and name HB2 ))
      3.700     1.700     1.700 peak    60 spectrum    1 weight  0.11000E+01 volume  0.18886E-02 ppm1      8.621 ppm2      4.181 CV     1
 ASSI {   61}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 10   and name HA  ))
      2.600     0.900     0.900 peak    61 spectrum    1 weight  0.11000E+01 volume  0.35685E-02 ppm1      8.621 ppm2      3.987 CV     1
 ASSI {   62}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 36   and name HB1 ))
      3.800     1.800     1.800 peak    62 spectrum    1 weight  0.11000E+01 volume  0.23187E-02 ppm1      8.620 ppm2      1.888 CV     1
 ASSI {   63}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak    63 spectrum    1 weight  0.11000E+01 volume  0.42808E-02 ppm1      8.620 ppm2      1.706 CV     1
 ASSI {   64}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak    64 spectrum    1 weight  0.11000E+01 volume  0.34620E-02 ppm1      8.621 ppm2      1.081 CV     1
 ASSI {   65}
   (( segid "FecA" and resid 10   and name HN  ))
   (  segid "FecA" and resid 10   and name HD2%)
      4.000     2.000     2.000 peak    65 spectrum    1 weight  0.11000E+01 volume  0.23235E-02 ppm1      8.622 ppm2      0.856 CV     1
 ASSI {   66}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 10   and name HG  ))
      4.400     2.400     1.600 peak    66 spectrum    1 weight  0.11000E+01 volume  0.86101E-03 ppm1      8.620 ppm2      1.483 CV     1
 ASSI {   67}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 36   and name HG1 ))
      5.100     3.300     0.900 peak    67 spectrum    1 weight  0.11000E+01 volume  0.35713E-03 ppm1      8.624 ppm2      2.273 CV     1
 ASSI {   68}
   (( segid "FecA" and resid 10   and name HN  ))
   (( segid "FecA" and resid 11   and name HB1 ))
      6.000     6.000     0.000 peak    68 spectrum    1 weight  0.11000E+01 volume  0.55918E-04 ppm1      8.624 ppm2      2.570 CV     1
 ASSI {   69}
   (( segid "FecA" and resid 74   and name HN  ))
   (( segid "FecA" and resid 60   and name HN  ))
      3.500     1.500     1.500 peak    69 spectrum    1 weight  0.11000E+01 volume  0.10743E-02 ppm1      8.399 ppm2      9.351 CV     1
 ASSI {   70}
   (( segid "FecA" and resid 74   and name HN  ))
   (( segid "FecA" and resid 59   and name HA  ))
      2.600     0.900     0.900 peak    70 spectrum    1 weight  0.11000E+01 volume  0.35919E-02 ppm1      8.398 ppm2      4.996 CV     1
 ASSI {   71}
   (( segid "FecA" and resid 74   and name HN  ))
   (( segid "FecA" and resid 75   and name HA  ))
      2.500     2.500     3.500 peak    71 spectrum    1 weight  0.11000E+01 volume  0.90587E-02 ppm1      8.398 ppm2      4.613 CV     1
 ASSI {   72}
   (( segid "FecA" and resid 74   and name HN  ))
   (( segid "FecA" and resid 75   and name HD1 ))
      3.100     1.200     1.200 peak    72 spectrum    1 weight  0.11000E+01 volume  0.13320E-02 ppm1      8.403 ppm2      3.764 CV     1
 OR {   72}
   (( segid "FecA" and resid 74   and name HN  ))
   (( segid "FecA" and resid 75   and name HD2 ))
 ASSI {   73}
   (( segid "FecA" and resid 74   and name HN  ))
   (( segid "FecA" and resid 75   and name HB1 ))
      3.300     3.300     2.700 peak    73 spectrum    1 weight  0.11000E+01 volume  0.22550E-02 ppm1      8.399 ppm2      2.368 CV     1
 ASSI {   74}
   (( segid "FecA" and resid 74   and name HN  ))
   (  segid "FecA" and resid 74   and name HB% )
      2.600     0.900     0.900 peak    74 spectrum    1 weight  0.11000E+01 volume  0.58755E-02 ppm1      8.398 ppm2      1.172 CV     1
 ASSI {   75}
   (( segid "FecA" and resid 74   and name HN  ))
   (  segid "FecA" and resid 59   and name HD2%)
      3.200     1.300     1.300 peak    75 spectrum    1 weight  0.11000E+01 volume  0.18571E-02 ppm1      8.398 ppm2      0.787 CV     1
 ASSI {   76}
   (( segid "FecA" and resid 76   and name HN  ))
   (( segid "FecA" and resid 77   and name HA  ))
      2.900     2.900     3.100 peak    76 spectrum    1 weight  0.11000E+01 volume  0.88544E-02 ppm1      8.372 ppm2      4.379 CV     1
 ASSI {   77}
   (( segid "FecA" and resid 76   and name HN  ))
   (( segid "FecA" and resid 77   and name HB2 ))
      5.300     3.500     0.700 peak    77 spectrum    1 weight  0.11000E+01 volume  0.10111E-02 ppm1      8.373 ppm2      2.264 CV     1
 ASSI {   78}
   (( segid "FecA" and resid 76   and name HN  ))
   (( segid "FecA" and resid 77   and name HB1 ))
      4.200     2.200     1.800 peak    78 spectrum    1 weight  0.11000E+01 volume  0.13062E-02 ppm1      8.374 ppm2      1.867 CV     1
 ASSI {   79}
   (( segid "FecA" and resid 76   and name HN  ))
   (  segid "FecA" and resid 76   and name HB% )
      2.900     1.100     1.100 peak    79 spectrum    1 weight  0.11000E+01 volume  0.47367E-02 ppm1      8.372 ppm2      1.364 CV     1
 ASSI {   80}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 40   and name HN  ))
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.11000E+01 volume  0.25455E-02 ppm1      9.110 ppm2      8.436 CV     1
 ASSI {   81}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 41   and name HA  ))
      3.800     1.800     1.800 peak    81 spectrum    1 weight  0.11000E+01 volume  0.66234E-03 ppm1      9.111 ppm2      5.465 CV     1
 ASSI {   82}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 4    and name HA  ))
      2.300     0.700     0.700 peak    82 spectrum    1 weight  0.11000E+01 volume  0.80166E-02 ppm1      9.110 ppm2      5.176 CV     1
 ASSI {   83}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 5    and name HA  ))
      3.000     1.100     1.100 peak    83 spectrum    1 weight  0.11000E+01 volume  0.17812E-02 ppm1      9.111 ppm2      4.205 CV     1
 ASSI {   84}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 4    and name HB2 ))
      4.600     2.700     1.400 peak    84 spectrum    1 weight  0.11000E+01 volume  0.79908E-03 ppm1      9.113 ppm2      2.772 CV     1
 ASSI {   85}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 4    and name HB1 ))
      4.500     2.600     1.500 peak    85 spectrum    1 weight  0.11000E+01 volume  0.70655E-03 ppm1      9.112 ppm2      2.553 CV     1
 ASSI {   86}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 5    and name HB  ))
      2.600     0.900     0.900 peak    86 spectrum    1 weight  0.11000E+01 volume  0.33651E-02 ppm1      9.109 ppm2      1.581 CV     1
 ASSI {   87}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 5    and name HG11))
      2.900     1.100     1.100 peak    87 spectrum    1 weight  0.11000E+01 volume  0.28866E-02 ppm1      9.110 ppm2      1.166 CV     1
 OR {   87}
   (( segid "FecA" and resid 5    and name HN  ))
   (( segid "FecA" and resid 5    and name HG12))
 ASSI {   88}
   (( segid "FecA" and resid 5    and name HN  ))
   (  segid "FecA" and resid 3    and name HG2%)
      3.400     3.400     2.600 peak    88 spectrum    1 weight  0.11000E+01 volume  0.27316E-02 ppm1      9.110 ppm2      0.855 CV     1
 ASSI {   89}
   (( segid "FecA" and resid 5    and name HN  ))
   (  segid "FecA" and resid 40   and name HD2%)
      6.000     4.800     0.000 peak    89 spectrum    1 weight  0.11000E+01 volume  0.10316E-03 ppm1      9.103 ppm2     -0.047 CV     1
 ASSI {   90}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 71   and name HA  ))
      3.800     1.800     1.800 peak    90 spectrum    1 weight  0.11000E+01 volume  0.10007E-02 ppm1      8.782 ppm2      5.496 CV     1
 ASSI {   91}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak    91 spectrum    1 weight  0.11000E+01 volume  0.30601E-02 ppm1      8.784 ppm2      5.070 CV     1
 ASSI {   92}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 61   and name HA  ))
      2.200     0.600     0.600 peak    92 spectrum    1 weight  0.11000E+01 volume  0.88861E-02 ppm1      8.781 ppm2      4.801 CV     1
 ASSI {   93}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 63   and name HD2 ))
      4.600     2.600     1.400 peak    93 spectrum    1 weight  0.11000E+01 volume  0.52649E-03 ppm1      8.780 ppm2      3.850 CV     1
 OR {   93}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 63   and name HD1 ))
 ASSI {   94}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 61   and name HB  ))
      3.800     1.800     1.800 peak    94 spectrum    1 weight  0.11000E+01 volume  0.20426E-02 ppm1      8.781 ppm2      2.017 CV     1
 ASSI {   95}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak    95 spectrum    1 weight  0.11000E+01 volume  0.28270E-02 ppm1      8.781 ppm2      1.689 CV     1
 ASSI {   96}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak    96 spectrum    1 weight  0.11000E+01 volume  0.30506E-02 ppm1      8.782 ppm2      1.538 CV     1
 ASSI {   97}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 62   and name HG2 ))
      3.800     1.800     1.800 peak    97 spectrum    1 weight  0.11000E+01 volume  0.80418E-03 ppm1      8.783 ppm2      1.360 CV     1
 ASSI {   98}
   (( segid "FecA" and resid 62   and name HN  ))
   (( segid "FecA" and resid 62   and name HG1 ))
      3.200     1.300     1.300 peak    98 spectrum    1 weight  0.11000E+01 volume  0.14554E-02 ppm1      8.783 ppm2      1.186 CV     1
 ASSI {   99}
   (( segid "FecA" and resid 62   and name HN  ))
   (  segid "FecA" and resid 61   and name HG1%)
      3.200     1.300     1.300 peak    99 spectrum    1 weight  0.11000E+01 volume  0.33860E-02 ppm1      8.782 ppm2      0.871 CV     1
 ASSI {  100}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 69   and name HD1 ))
      3.700     1.700     1.700 peak   100 spectrum    1 weight  0.11000E+01 volume  0.92183E-03 ppm1      8.733 ppm2      6.785 CV     1
 ASSI {  101}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   101 spectrum    1 weight  0.11000E+01 volume  0.76309E-02 ppm1      8.734 ppm2      5.684 CV     1
 ASSI {  102}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 25   and name HA  ))
      2.900     1.100     1.100 peak   102 spectrum    1 weight  0.11000E+01 volume  0.20527E-02 ppm1      8.733 ppm2      5.342 CV     1
 ASSI {  103}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 69   and name HA  ))
      2.900     1.100     1.100 peak   103 spectrum    1 weight  0.11000E+01 volume  0.14985E-02 ppm1      8.733 ppm2      5.062 CV     1
 ASSI {  104}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 24   and name HB  ))
      3.100     3.100     2.900 peak   104 spectrum    1 weight  0.11000E+01 volume  0.62829E-03 ppm1      8.737 ppm2      4.240 CV     1
 ASSI {  105}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 68   and name HB1 ))
      3.100     1.200     1.200 peak   105 spectrum    1 weight  0.11000E+01 volume  0.20750E-02 ppm1      8.733 ppm2      3.617 CV     1
 OR {  105}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 68   and name HB2 ))
 ASSI {  106}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 69   and name HB2 ))
      3.100     1.200     1.200 peak   106 spectrum    1 weight  0.11000E+01 volume  0.12916E-02 ppm1      8.733 ppm2      3.051 CV     1
 ASSI {  107}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 69   and name HB1 ))
      3.400     1.500     1.500 peak   107 spectrum    1 weight  0.11000E+01 volume  0.26593E-02 ppm1      8.734 ppm2      2.806 CV     1
 ASSI {  108}
   (( segid "FecA" and resid 69   and name HN  ))
   (( segid "FecA" and resid 25   and name HG  ))
      4.700     2.700     1.300 peak   108 spectrum    1 weight  0.11000E+01 volume  0.50292E-03 ppm1      8.734 ppm2      1.523 CV     1
 ASSI {  109}
   (( segid "FecA" and resid 69   and name HN  ))
   (  segid "FecA" and resid 24   and name HG2%)
      3.300     3.300     2.700 peak   109 spectrum    1 weight  0.11000E+01 volume  0.47616E-03 ppm1      8.733 ppm2      1.240 CV     1
 ASSI {  110}
   (( segid "FecA" and resid 69   and name HN  ))
   (  segid "FecA" and resid 25   and name HD1%)
      3.900     1.900     1.900 peak   110 spectrum    1 weight  0.11000E+01 volume  0.10585E-02 ppm1      8.732 ppm2      0.892 CV     1
 ASSI {  111}
   (( segid "FecA" and resid 27   and name HN  ))
   (  segid "FecA" and resid 27   and name HG1%)
      3.200     1.300     1.300 peak   111 spectrum    1 weight  0.11000E+01 volume  0.15909E-02 ppm1      8.695 ppm2      0.799 CV     1
 ASSI {  112}
   (( segid "FecA" and resid 27   and name HN  ))
   (  segid "FecA" and resid 27   and name HG2%)
      3.800     1.800     1.800 peak   112 spectrum    1 weight  0.11000E+01 volume  0.17224E-02 ppm1      8.696 ppm2      0.935 CV     1
 ASSI {  113}
   (( segid "FecA" and resid 27   and name HN  ))
   (( segid "FecA" and resid 27   and name HB  ))
      3.300     1.400     1.400 peak   113 spectrum    1 weight  0.11000E+01 volume  0.16741E-02 ppm1      8.694 ppm2      2.042 CV     1
 ASSI {  114}
   (( segid "FecA" and resid 27   and name HN  ))
   (( segid "FecA" and resid 26   and name HB1 ))
      4.900     3.000     1.100 peak   114 spectrum    1 weight  0.11000E+01 volume  0.53100E-03 ppm1      8.694 ppm2      3.714 CV     1
 ASSI {  115}
   (( segid "FecA" and resid 27   and name HN  ))
   (( segid "FecA" and resid 26   and name HB2 ))
      5.000     3.100     1.000 peak   115 spectrum    1 weight  0.11000E+01 volume  0.58434E-03 ppm1      8.695 ppm2      3.857 CV     1
 ASSI {  116}
   (( segid "FecA" and resid 27   and name HN  ))
   (( segid "FecA" and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   116 spectrum    1 weight  0.11000E+01 volume  0.17217E-02 ppm1      8.694 ppm2      4.401 CV     1
 ASSI {  117}
   (( segid "FecA" and resid 27   and name HN  ))
   (( segid "FecA" and resid 26   and name HA  ))
      2.300     0.600     0.600 peak   117 spectrum    1 weight  0.11000E+01 volume  0.95952E-02 ppm1      8.694 ppm2      4.809 CV     1
 ASSI {  119}
   (( segid "FecA" and resid 38   and name HN  ))
   (( segid "FecA" and resid 37   and name HA  ))
      2.100     0.600     0.600 peak   119 spectrum    1 weight  0.11000E+01 volume  0.68231E-02 ppm1      9.029 ppm2      4.927 CV     1
 ASSI {  120}
   (( segid "FecA" and resid 38   and name HN  ))
   (( segid "FecA" and resid 37   and name HB2 ))
      4.400     2.400     1.600 peak   120 spectrum    1 weight  0.11000E+01 volume  0.75187E-03 ppm1      9.029 ppm2      3.763 CV     1
 ASSI {  121}
   (( segid "FecA" and resid 38   and name HN  ))
   (( segid "FecA" and resid 37   and name HB1 ))
      4.600     2.600     1.400 peak   121 spectrum    1 weight  0.11000E+01 volume  0.44049E-03 ppm1      9.029 ppm2      3.248 CV     1
 ASSI {  122}
   (( segid "FecA" and resid 38   and name HN  ))
   (( segid "FecA" and resid 38   and name HB1 ))
      2.600     2.600     3.400 peak   122 spectrum    1 weight  0.11000E+01 volume  0.39765E-02 ppm1      9.028 ppm2      2.891 CV     1
 OR {  122}
   (( segid "FecA" and resid 38   and name HN  ))
   (( segid "FecA" and resid 38   and name HB2 ))
 ASSI {  123}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 32   and name HN  ))
      2.600     0.800     0.800 peak   123 spectrum    1 weight  0.11000E+01 volume  0.56333E-02 ppm1      7.354 ppm2      7.151 CV     1
 ASSI {  124}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 33   and name HA  ))
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.11000E+01 volume  0.57215E-02 ppm1      7.355 ppm2      4.134 CV     1
 ASSI {  125}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 33   and name HD1 ))
      5.200     3.300     0.800 peak   125 spectrum    1 weight  0.11000E+01 volume  0.44748E-03 ppm1      7.354 ppm2      3.207 CV     1
 OR {  125}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 33   and name HD2 ))
 ASSI {  126}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak   126 spectrum    1 weight  0.11000E+01 volume  0.64004E-02 ppm1      7.354 ppm2      1.967 CV     1
 ASSI {  127}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 33   and name HB1 ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.11000E+01 volume  0.71865E-02 ppm1      7.353 ppm2      1.766 CV     1
 ASSI {  128}
   (( segid "FecA" and resid 33   and name HN  ))
   (  segid "FecA" and resid 32   and name HG2%)
      4.300     2.300     1.700 peak   128 spectrum    1 weight  0.11000E+01 volume  0.10182E-02 ppm1      7.354 ppm2      0.825 CV     1
 ASSI {  129}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 33   and name HG1 ))
      3.900     1.900     1.900 peak   129 spectrum    1 weight  0.11000E+01 volume  0.19375E-02 ppm1      7.355 ppm2      1.597 CV     1
 ASSI {  130}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 5    and name HN  ))
      6.000     4.600     0.000 peak   130 spectrum    1 weight  0.11000E+01 volume  0.91585E-04 ppm1      8.412 ppm2      9.116 CV     1
 ASSI {  131}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 3    and name HN  ))
      5.100     3.200     0.900 peak   131 spectrum    1 weight  0.11000E+01 volume  0.31018E-03 ppm1      8.407 ppm2      8.801 CV     1
 ASSI {  132}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   132 spectrum    1 weight  0.11000E+01 volume  0.10668E-02 ppm1      8.407 ppm2      5.174 CV     1
 ASSI {  133}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 3    and name HA  ))
      2.300     0.700     0.700 peak   133 spectrum    1 weight  0.11000E+01 volume  0.76849E-02 ppm1      8.409 ppm2      4.139 CV     1
 ASSI {  134}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 4    and name HB2 ))
      3.400     1.500     1.500 peak   134 spectrum    1 weight  0.11000E+01 volume  0.11860E-02 ppm1      8.410 ppm2      2.766 CV     1
 ASSI {  135}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 4    and name HB1 ))
      3.400     1.400     1.400 peak   135 spectrum    1 weight  0.11000E+01 volume  0.13027E-02 ppm1      8.408 ppm2      2.550 CV     1
 ASSI {  136}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 3    and name HB  ))
      3.800     1.800     1.800 peak   136 spectrum    1 weight  0.11000E+01 volume  0.82702E-03 ppm1      8.408 ppm2      1.934 CV     1
 ASSI {  137}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 5    and name HG12))
      3.800     1.800     1.800 peak   137 spectrum    1 weight  0.11000E+01 volume  0.59207E-03 ppm1      8.406 ppm2      1.200 CV     1
 OR {  137}
   (( segid "FecA" and resid 4    and name HN  ))
   (( segid "FecA" and resid 5    and name HG11))
 ASSI {  138}
   (( segid "FecA" and resid 4    and name HN  ))
   (  segid "FecA" and resid 3    and name HG2%)
      3.500     1.500     1.500 peak   138 spectrum    1 weight  0.11000E+01 volume  0.26399E-02 ppm1      8.407 ppm2      0.845 CV     1
 ASSI {  139}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 56   and name HN  ))
      4.900     3.000     1.100 peak   139 spectrum    1 weight  0.11000E+01 volume  0.35873E-03 ppm1      7.433 ppm2      8.900 CV     1
 ASSI {  140}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 53   and name HN  ))
      3.900     1.900     1.900 peak   140 spectrum    1 weight  0.11000E+01 volume  0.66416E-03 ppm1      7.432 ppm2      8.230 CV     1
 ASSI {  141}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.11000E+01 volume  0.30857E-02 ppm1      7.435 ppm2      7.670 CV     1
 ASSI {  142}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 55   and name HA  ))
      2.900     1.000     1.000 peak   142 spectrum    1 weight  0.11000E+01 volume  0.32246E-02 ppm1      7.433 ppm2      4.506 CV     1
 ASSI {  143}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 52   and name HA  ))
      3.300     1.400     1.400 peak   143 spectrum    1 weight  0.11000E+01 volume  0.17756E-02 ppm1      7.433 ppm2      4.053 CV     1
 ASSI {  144}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 53   and name HA  ))
      3.400     1.500     1.500 peak   144 spectrum    1 weight  0.11000E+01 volume  0.79379E-03 ppm1      7.433 ppm2      3.782 CV     1
 ASSI {  145}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak   145 spectrum    1 weight  0.11000E+01 volume  0.96786E-02 ppm1      7.434 ppm2      2.865 CV     1
 ASSI {  146}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 55   and name HB1 ))
      2.400     0.700     0.700 peak   146 spectrum    1 weight  0.11000E+01 volume  0.78487E-02 ppm1      7.433 ppm2      2.773 CV     1
 ASSI {  147}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 54   and name HB2 ))
      3.400     1.500     1.500 peak   147 spectrum    1 weight  0.11000E+01 volume  0.17193E-02 ppm1      7.433 ppm2      1.798 CV     1
 ASSI {  148}
   (( segid "FecA" and resid 55   and name HN  ))
   (( segid "FecA" and resid 54   and name HB1 ))
      4.600     2.700     1.400 peak   148 spectrum    1 weight  0.11000E+01 volume  0.38055E-03 ppm1      7.433 ppm2      1.583 CV     1
 ASSI {  149}
   (( segid "FecA" and resid 55   and name HN  ))
   (  segid "FecA" and resid 54   and name HD2%)
      4.600     2.700     1.400 peak   149 spectrum    1 weight  0.11000E+01 volume  0.60058E-03 ppm1      7.437 ppm2      0.804 CV     1
 ASSI {  151}
   (( segid "FecA" and resid 79   and name HN  ))
   (( segid "FecA" and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   151 spectrum    1 weight  0.11000E+01 volume  0.44819E-02 ppm1      8.538 ppm2      4.329 CV     1
 ASSI {  152}
   (( segid "FecA" and resid 79   and name HN  ))
   (( segid "FecA" and resid 79   and name HB1 ))
      4.000     2.000     2.000 peak   152 spectrum    1 weight  0.11000E+01 volume  0.10115E-02 ppm1      8.541 ppm2      1.882 CV     1
 ASSI {  153}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   153 spectrum    1 weight  0.11000E+01 volume  0.13600E-02 ppm1      8.774 ppm2      8.415 CV     1
 ASSI {  154}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 44   and name HN  ))
      3.600     3.600     2.400 peak   154 spectrum    1 weight  0.11000E+01 volume  0.95876E-03 ppm1      8.772 ppm2      8.249 CV     1
 ASSI {  155}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 43   and name HA  ))
      3.800     1.800     1.800 peak   155 spectrum    1 weight  0.11000E+01 volume  0.92853E-03 ppm1      8.771 ppm2      4.945 CV     1
 ASSI {  156}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 2    and name HA  ))
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.11000E+01 volume  0.87211E-02 ppm1      8.772 ppm2      4.390 CV     1
 ASSI {  157}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 3    and name HA  ))
      3.100     1.200     1.200 peak   157 spectrum    1 weight  0.11000E+01 volume  0.16866E-02 ppm1      8.774 ppm2      4.144 CV     1
 ASSI {  158}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 41   and name HA  ))
      6.000     5.700     0.000 peak   158 spectrum    1 weight  0.11000E+01 volume  0.29192E-04 ppm1      8.774 ppm2      5.455 CV     1
 ASSI {  159}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 42   and name HA1 ))
      6.000     5.900     0.000 peak   159 spectrum    1 weight  0.11000E+01 volume  0.41727E-04 ppm1      8.771 ppm2      3.766 CV     1
 ASSI {  160}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 2    and name HG2 ))
      4.300     2.400     1.700 peak   160 spectrum    1 weight  0.11000E+01 volume  0.75440E-03 ppm1      8.773 ppm2      2.299 CV     1
 OR {  160}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 2    and name HG1 ))
 ASSI {  161}
   (( segid "FecA" and resid 3    and name HN  ))
   (( segid "FecA" and resid 3    and name HB  ))
      2.900     1.100     1.100 peak   161 spectrum    1 weight  0.11000E+01 volume  0.33880E-02 ppm1      8.772 ppm2      1.948 CV     1
 ASSI {  162}
   (( segid "FecA" and resid 3    and name HN  ))
   (  segid "FecA" and resid 3    and name HG2%)
      2.900     1.000     1.000 peak   162 spectrum    1 weight  0.11000E+01 volume  0.33655E-02 ppm1      8.772 ppm2      0.843 CV     1
 ASSI {  164}
   (( segid "FecA" and resid 41   and name HN  ))
   (  segid "FecA" and resid 44   and name HE% )
      4.300     2.300     1.700 peak   164 spectrum    1 weight  0.11000E+01 volume  0.32452E-03 ppm1      8.958 ppm2      6.478 CV     1
 ASSI {  165}
   (( segid "FecA" and resid 41   and name HN  ))
   (( segid "FecA" and resid 41   and name HA  ))
      3.500     1.500     1.500 peak   165 spectrum    1 weight  0.11000E+01 volume  0.84158E-03 ppm1      8.958 ppm2      5.452 CV     1
 ASSI {  166}
   (( segid "FecA" and resid 41   and name HN  ))
   (( segid "FecA" and resid 40   and name HA  ))
      2.400     0.700     0.700 peak   166 spectrum    1 weight  0.11000E+01 volume  0.52580E-02 ppm1      8.958 ppm2      4.305 CV     1
 ASSI {  167}
   (( segid "FecA" and resid 41   and name HN  ))
   (( segid "FecA" and resid 41   and name HB2 ))
      3.400     1.400     1.400 peak   167 spectrum    1 weight  0.11000E+01 volume  0.12194E-02 ppm1      8.957 ppm2      3.213 CV     1
 ASSI {  168}
   (( segid "FecA" and resid 41   and name HN  ))
   (( segid "FecA" and resid 41   and name HB1 ))
      3.700     1.700     1.700 peak   168 spectrum    1 weight  0.11000E+01 volume  0.89571E-03 ppm1      8.960 ppm2      3.129 CV     1
 ASSI {  169}
   (( segid "FecA" and resid 41   and name HN  ))
   (( segid "FecA" and resid 40   and name HB2 ))
      5.200     3.400     0.800 peak   169 spectrum    1 weight  0.11000E+01 volume  0.44347E-03 ppm1      8.959 ppm2      1.091 CV     1
 ASSI {  170}
   (( segid "FecA" and resid 41   and name HN  ))
   (( segid "FecA" and resid 40   and name HG  ))
      3.400     1.500     1.500 peak   170 spectrum    1 weight  0.11000E+01 volume  0.11523E-02 ppm1      8.961 ppm2      0.837 CV     1
 ASSI {  171}
   (( segid "FecA" and resid 41   and name HN  ))
   (  segid "FecA" and resid 40   and name HD1%)
      3.700     1.700     1.700 peak   171 spectrum    1 weight  0.11000E+01 volume  0.10504E-02 ppm1      8.958 ppm2     -0.005 CV     1
 ASSI {  172}
   (( segid "FecA" and resid 18   and name HN  ))
   (( segid "FecA" and resid 19   and name HN  ))
      2.900     1.000     1.000 peak   172 spectrum    1 weight  0.11000E+01 volume  0.23867E-02 ppm1      8.326 ppm2      7.580 CV     1
 ASSI {  173}
   (( segid "FecA" and resid 18   and name HN  ))
   (( segid "FecA" and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   173 spectrum    1 weight  0.11000E+01 volume  0.27949E-02 ppm1      8.326 ppm2      8.566 CV     1
 ASSI {  174}
   (( segid "FecA" and resid 18   and name HN  ))
   (  segid "FecA" and resid 23   and name HD% )
      4.700     2.700     1.300 peak   174 spectrum    1 weight  0.11000E+01 volume  0.60458E-03 ppm1      8.325 ppm2      6.903 CV     1
 ASSI {  175}
   (( segid "FecA" and resid 18   and name HN  ))
   (  segid "FecA" and resid 23   and name HE% )
      4.400     4.400     1.600 peak   175 spectrum    1 weight  0.11000E+01 volume  0.37981E-03 ppm1      8.330 ppm2      6.614 CV     1
 ASSI {  176}
   (( segid "FecA" and resid 18   and name HN  ))
   (( segid "FecA" and resid 15   and name HA  ))
      3.000     1.200     1.200 peak   176 spectrum    1 weight  0.11000E+01 volume  0.20308E-02 ppm1      8.328 ppm2      4.386 CV     1
 ASSI {  177}
   (( segid "FecA" and resid 18   and name HN  ))
   (( segid "FecA" and resid 16   and name HA  ))
      4.100     2.100     1.900 peak   177 spectrum    1 weight  0.11000E+01 volume  0.44795E-03 ppm1      8.326 ppm2      4.085 CV     1
 ASSI {  178}
   (( segid "FecA" and resid 18   and name HN  ))
   (( segid "FecA" and resid 14   and name HA  ))
      4.200     2.200     1.800 peak   178 spectrum    1 weight  0.11000E+01 volume  0.53278E-03 ppm1      8.327 ppm2      3.885 CV     1
 ASSI {  179}
   (( segid "FecA" and resid 18   and name HN  ))
   (( segid "FecA" and resid 17   and name HB1 ))
      2.500     0.800     0.800 peak   179 spectrum    1 weight  0.11000E+01 volume  0.31882E-02 ppm1      8.326 ppm2      2.986 CV     1
 ASSI {  180}
   (( segid "FecA" and resid 18   and name HN  ))
   (( segid "FecA" and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak   180 spectrum    1 weight  0.11000E+01 volume  0.22917E-02 ppm1      8.326 ppm2      3.080 CV     1
 ASSI {  181}
   (( segid "FecA" and resid 18   and name HN  ))
   (( segid "FecA" and resid 18   and name HA  ))
      2.900     1.100     1.100 peak   181 spectrum    1 weight  0.11000E+01 volume  0.22323E-02 ppm1      8.326 ppm2      2.134 CV     1
 ASSI {  182}
   (( segid "FecA" and resid 18   and name HN  ))
   (  segid "FecA" and resid 18   and name HB% )
      2.500     0.800     0.800 peak   182 spectrum    1 weight  0.11000E+01 volume  0.67544E-02 ppm1      8.326 ppm2      1.007 CV     1
 ASSI {  183}
   (( segid "FecA" and resid 18   and name HN  ))
   (  segid "FecA" and resid 14   and name HD2%)
      4.700     4.700     1.300 peak   183 spectrum    1 weight  0.11000E+01 volume  0.53373E-03 ppm1      8.325 ppm2      0.716 CV     1
 ASSI {  184}
   (( segid "FecA" and resid 13   and name HN  ))
   (( segid "FecA" and resid 11   and name HN  ))
      4.000     2.000     2.000 peak   184 spectrum    1 weight  0.11000E+01 volume  0.51731E-03 ppm1      8.002 ppm2      8.907 CV     1
 ASSI {  185}
   (( segid "FecA" and resid 13   and name HN  ))
   (( segid "FecA" and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   185 spectrum    1 weight  0.11000E+01 volume  0.34081E-02 ppm1      8.004 ppm2      8.612 CV     1
 ASSI {  187}
   (( segid "FecA" and resid 13   and name HN  ))
   (( segid "FecA" and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   187 spectrum    1 weight  0.11000E+01 volume  0.56354E-02 ppm1      8.003 ppm2      4.056 CV     1
 ASSI {  188}
   (( segid "FecA" and resid 13   and name HN  ))
   (( segid "FecA" and resid 12   and name HB1 ))
      2.700     0.900     0.900 peak   188 spectrum    1 weight  0.11000E+01 volume  0.48718E-02 ppm1      8.003 ppm2      1.868 CV     1
 OR {  188}
   (( segid "FecA" and resid 13   and name HN  ))
   (( segid "FecA" and resid 12   and name HB2 ))
 ASSI {  189}
   (( segid "FecA" and resid 13   and name HN  ))
   (  segid "FecA" and resid 13   and name HB% )
      2.300     0.700     0.700 peak   189 spectrum    1 weight  0.11000E+01 volume  0.76103E-02 ppm1      8.003 ppm2      1.352 CV     1
 ASSI {  190}
   (( segid "FecA" and resid 13   and name HN  ))
   (  segid "FecA" and resid 5    and name HG2%)
      4.200     4.200     1.800 peak   190 spectrum    1 weight  0.11000E+01 volume  0.11767E-02 ppm1      8.000 ppm2      0.920 CV     1
 ASSI {  191}
   (( segid "FecA" and resid 36   and name HN  ))
   (( segid "FecA" and resid 36   and name HA  ))
      2.600     0.900     0.900 peak   191 spectrum    1 weight  0.11000E+01 volume  0.33424E-02 ppm1      9.080 ppm2      4.774 CV     1
 ASSI {  192}
   (( segid "FecA" and resid 36   and name HN  ))
   (( segid "FecA" and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   192 spectrum    1 weight  0.11000E+01 volume  0.43973E-02 ppm1      9.078 ppm2      4.582 CV     1
 ASSI {  193}
   (( segid "FecA" and resid 36   and name HN  ))
   (( segid "FecA" and resid 36   and name HG1 ))
      3.500     1.500     1.500 peak   193 spectrum    1 weight  0.11000E+01 volume  0.14263E-02 ppm1      9.079 ppm2      2.288 CV     1
 ASSI {  194}
   (( segid "FecA" and resid 36   and name HN  ))
   (( segid "FecA" and resid 36   and name HB2 ))
      3.700     1.700     1.700 peak   194 spectrum    1 weight  0.11000E+01 volume  0.78182E-03 ppm1      9.078 ppm2      2.123 CV     1
 ASSI {  195}
   (( segid "FecA" and resid 36   and name HN  ))
   (( segid "FecA" and resid 36   and name HB1 ))
      2.800     1.000     1.000 peak   195 spectrum    1 weight  0.11000E+01 volume  0.36859E-02 ppm1      9.078 ppm2      1.885 CV     1
 ASSI {  196}
   (( segid "FecA" and resid 36   and name HN  ))
   (( segid "FecA" and resid 35   and name HG2 ))
      3.700     1.700     1.700 peak   196 spectrum    1 weight  0.11000E+01 volume  0.51685E-03 ppm1      9.075 ppm2      1.390 CV     1
 OR {  196}
   (( segid "FecA" and resid 36   and name HN  ))
   (( segid "FecA" and resid 35   and name HG1 ))
 ASSI {  197}
   (( segid "FecA" and resid 36   and name HN  ))
   (( segid "FecA" and resid 35   and name HN  ))
      6.000     4.900     0.000 peak   197 spectrum    1 weight  0.11000E+01 volume  0.80929E-04 ppm1      9.081 ppm2      7.654 CV     1
 ASSI {  199}
   (( segid "FecA" and resid 50   and name HN  ))
   (( segid "FecA" and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   199 spectrum    1 weight  0.11000E+01 volume  0.25672E-02 ppm1      8.400 ppm2      7.809 CV     1
 ASSI {  200}
   (( segid "FecA" and resid 78   and name HN  ))
   (( segid "FecA" and resid 77   and name HA  ))
      2.500     0.800     0.800 peak   200 spectrum    1 weight  0.11000E+01 volume  0.72428E-02 ppm1      8.393 ppm2      4.400 CV     1
 ASSI {  201}
   (( segid "FecA" and resid 50   and name HN  ))
   (( segid "FecA" and resid 50   and name HA  ))
      2.600     0.900     0.900 peak   201 spectrum    1 weight  0.11000E+01 volume  0.35177E-02 ppm1      8.399 ppm2      3.692 CV     1
 ASSI {  202}
   (( segid "FecA" and resid 78   and name HN  ))
   (( segid "FecA" and resid 78   and name HB1 ))
      2.900     1.100     1.100 peak   202 spectrum    1 weight  0.11000E+01 volume  0.54311E-02 ppm1      8.394 ppm2      1.780 CV     1
 ASSI {  203}
   (( segid "FecA" and resid 50   and name HN  ))
   (  segid "FecA" and resid 17   and name HE% )
      3.700     1.700     1.700 peak   203 spectrum    1 weight  0.11000E+01 volume  0.11934E-02 ppm1      8.397 ppm2      6.707 CV     1
 ASSI {  204}
   (( segid "FecA" and resid 50   and name HN  ))
   (( segid "FecA" and resid 47   and name HA  ))
      3.500     1.500     1.500 peak   204 spectrum    1 weight  0.11000E+01 volume  0.83864E-03 ppm1      8.401 ppm2      3.271 CV     1
 ASSI {  205}
   (( segid "FecA" and resid 50   and name HN  ))
   (( segid "FecA" and resid 49   and name HA1 ))
      3.200     1.300     1.300 peak   205 spectrum    1 weight  0.11000E+01 volume  0.10324E-02 ppm1      8.399 ppm2      3.028 CV     1
 ASSI {  206}
   (( segid "FecA" and resid 50   and name HN  ))
   (( segid "FecA" and resid 50   and name HB2 ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.11000E+01 volume  0.56066E-02 ppm1      8.399 ppm2      1.653 CV     1
 ASSI {  207}
   (( segid "FecA" and resid 50   and name HN  ))
   (( segid "FecA" and resid 50   and name HG  ))
      2.600     0.900     0.900 peak   207 spectrum    1 weight  0.11000E+01 volume  0.29432E-02 ppm1      8.399 ppm2      1.392 CV     1
 ASSI {  208}
   (( segid "FecA" and resid 50   and name HN  ))
   (( segid "FecA" and resid 50   and name HB1 ))
      3.400     1.400     1.400 peak   208 spectrum    1 weight  0.11000E+01 volume  0.31991E-02 ppm1      8.400 ppm2      0.935 CV     1
 ASSI {  209}
   (( segid "FecA" and resid 50   and name HN  ))
   (  segid "FecA" and resid 50   and name HD2%)
      4.000     2.000     2.000 peak   209 spectrum    1 weight  0.11000E+01 volume  0.93669E-03 ppm1      8.400 ppm2      0.631 CV     1
 ASSI {  210}
   (( segid "FecA" and resid 50   and name HN  ))
   (  segid "FecA" and resid 50   and name HD1%)
      3.900     1.900     1.900 peak   210 spectrum    1 weight  0.11000E+01 volume  0.90692E-03 ppm1      8.400 ppm2     -0.225 CV     1
 ASSI {  211}
   (( segid "FecA" and resid 50   and name HN  ))
   (  segid "FecA" and resid 46   and name HG1%)
      4.200     2.200     1.800 peak   211 spectrum    1 weight  0.11000E+01 volume  0.52513E-03 ppm1      8.401 ppm2     -0.388 CV     1
 ASSI {  214}
   (( segid "FecA" and resid 17   and name HN  ))
   (  segid "FecA" and resid 17   and name HD% )
      4.900     3.000     1.100 peak   214 spectrum    1 weight  0.11000E+01 volume  0.59753E-03 ppm1      8.560 ppm2      6.917 CV     1
 ASSI {  215}
   (( segid "FecA" and resid 17   and name HN  ))
   (( segid "FecA" and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   215 spectrum    1 weight  0.11000E+01 volume  0.23492E-02 ppm1      8.559 ppm2      4.455 CV     1
 ASSI {  216}
   (( segid "FecA" and resid 17   and name HN  ))
   (( segid "FecA" and resid 16   and name HA  ))
      3.400     1.400     1.400 peak   216 spectrum    1 weight  0.11000E+01 volume  0.13925E-02 ppm1      8.561 ppm2      4.083 CV     1
 ASSI {  217}
   (( segid "FecA" and resid 17   and name HN  ))
   (( segid "FecA" and resid 14   and name HA  ))
      3.300     1.400     1.400 peak   217 spectrum    1 weight  0.11000E+01 volume  0.10090E-02 ppm1      8.560 ppm2      3.884 CV     1
 ASSI {  218}
   (( segid "FecA" and resid 17   and name HN  ))
   (( segid "FecA" and resid 17   and name HB2 ))
      2.200     0.600     0.600 peak   218 spectrum    1 weight  0.11000E+01 volume  0.60193E-02 ppm1      8.560 ppm2      3.076 CV     1
 ASSI {  219}
   (( segid "FecA" and resid 17   and name HN  ))
   (( segid "FecA" and resid 17   and name HB1 ))
      2.600     0.900     0.900 peak   219 spectrum    1 weight  0.11000E+01 volume  0.62818E-02 ppm1      8.560 ppm2      2.998 CV     1
 ASSI {  220}
   (( segid "FecA" and resid 17   and name HN  ))
   (( segid "FecA" and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak   220 spectrum    1 weight  0.11000E+01 volume  0.19650E-02 ppm1      8.560 ppm2      2.346 CV     1
 ASSI {  221}
   (( segid "FecA" and resid 17   and name HN  ))
   (( segid "FecA" and resid 16   and name HB1 ))
      2.900     1.100     1.100 peak   221 spectrum    1 weight  0.11000E+01 volume  0.14975E-02 ppm1      8.560 ppm2      2.051 CV     1
 ASSI {  222}
   (( segid "FecA" and resid 17   and name HN  ))
   (  segid "FecA" and resid 13   and name HB% )
      3.100     3.100     2.900 peak   222 spectrum    1 weight  0.11000E+01 volume  0.63616E-03 ppm1      8.560 ppm2      1.378 CV     1
 ASSI {  223}
   (( segid "FecA" and resid 17   and name HN  ))
   (  segid "FecA" and resid 5    and name HG2%)
      2.800     2.800     3.200 peak   223 spectrum    1 weight  0.11000E+01 volume  0.11445E-02 ppm1      8.559 ppm2      0.978 CV     1
 ASSI {  224}
   (( segid "FecA" and resid 17   and name HN  ))
   (  segid "FecA" and resid 5    and name HD1%)
      3.200     3.200     2.800 peak   224 spectrum    1 weight  0.11000E+01 volume  0.17654E-02 ppm1      8.561 ppm2      0.706 CV     1
 ASSI {  225}
   (( segid "FecA" and resid 45   and name HN  ))
   (( segid "FecA" and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   225 spectrum    1 weight  0.11000E+01 volume  0.68600E-02 ppm1      8.052 ppm2      4.918 CV     1
 ASSI {  226}
   (( segid "FecA" and resid 43   and name HN  ))
   (( segid "FecA" and resid 44   and name HA  ))
      2.500     2.500     3.500 peak   226 spectrum    1 weight  0.11000E+01 volume  0.11048E-01 ppm1      8.052 ppm2      4.722 CV     1
 ASSI {  227}
   (( segid "FecA" and resid 45   and name HN  ))
   (  segid "FecA" and resid 44   and name HD% )
      4.100     2.100     1.900 peak   227 spectrum    1 weight  0.11000E+01 volume  0.69076E-03 ppm1      8.053 ppm2      6.775 CV     1
 ASSI {  228}
   (( segid "FecA" and resid 43   and name HN  ))
   (( segid "FecA" and resid 42   and name HA2 ))
      2.800     1.000     1.000 peak   228 spectrum    1 weight  0.11000E+01 volume  0.33306E-02 ppm1      8.049 ppm2      4.337 CV     1
 ASSI {  229}
   (( segid "FecA" and resid 45   and name HN  ))
   (( segid "FecA" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak   229 spectrum    1 weight  0.11000E+01 volume  0.19357E-02 ppm1      8.053 ppm2      4.079 CV     1
 OR {  229}
   (( segid "FecA" and resid 45   and name HN  ))
   (( segid "FecA" and resid 48   and name HB1 ))
 ASSI {  230}
   (( segid "FecA" and resid 43   and name HN  ))
   (( segid "FecA" and resid 42   and name HA1 ))
      3.000     1.100     1.100 peak   230 spectrum    1 weight  0.11000E+01 volume  0.26361E-02 ppm1      8.050 ppm2      3.776 CV     1
 ASSI {  231}
   (( segid "FecA" and resid 45   and name HN  ))
   (( segid "FecA" and resid 44   and name HB2 ))
      3.800     1.800     1.800 peak   231 spectrum    1 weight  0.11000E+01 volume  0.23069E-02 ppm1      8.053 ppm2      3.191 CV     1
 ASSI {  232}
   (( segid "FecA" and resid 45   and name HN  ))
   (( segid "FecA" and resid 45   and name HB2 ))
      2.900     1.000     1.000 peak   232 spectrum    1 weight  0.11000E+01 volume  0.16758E-02 ppm1      8.053 ppm2      3.001 CV     1
 ASSI {  233}
   (( segid "FecA" and resid 45   and name HN  ))
   (( segid "FecA" and resid 45   and name HB1 ))
      3.600     1.600     1.600 peak   233 spectrum    1 weight  0.11000E+01 volume  0.19220E-02 ppm1      8.052 ppm2      2.761 CV     1
 ASSI {  234}
   (( segid "FecA" and resid 43   and name HN  ))
   (( segid "FecA" and resid 43   and name HB2 ))
      2.800     1.000     1.000 peak   234 spectrum    1 weight  0.11000E+01 volume  0.40501E-02 ppm1      8.051 ppm2      2.363 CV     1
 OR {  234}
   (( segid "FecA" and resid 43   and name HN  ))
   (( segid "FecA" and resid 43   and name HB1 ))
 ASSI {  235}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 25   and name HA  ))
      2.200     0.600     0.600 peak   235 spectrum    1 weight  0.11000E+01 volume  0.91673E-02 ppm1      8.616 ppm2      5.344 CV     1
 ASSI {  236}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 70   and name HA  ))
      2.900     1.000     1.000 peak   236 spectrum    1 weight  0.11000E+01 volume  0.24295E-02 ppm1      8.615 ppm2      5.168 CV     1
 ASSI {  237}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 26   and name HA  ))
      3.000     1.100     1.100 peak   237 spectrum    1 weight  0.11000E+01 volume  0.20250E-02 ppm1      8.616 ppm2      4.804 CV     1
 ASSI {  238}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 70   and name HB  ))
      4.400     2.400     1.600 peak   238 spectrum    1 weight  0.11000E+01 volume  0.47828E-03 ppm1      8.617 ppm2      4.149 CV     1
 ASSI {  239}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 26   and name HB2 ))
      2.900     1.100     1.100 peak   239 spectrum    1 weight  0.11000E+01 volume  0.22153E-02 ppm1      8.615 ppm2      3.859 CV     1
 ASSI {  240}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 26   and name HB1 ))
      3.200     1.200     1.200 peak   240 spectrum    1 weight  0.11000E+01 volume  0.24464E-02 ppm1      8.616 ppm2      3.717 CV     1
 ASSI {  241}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 69   and name HB1 ))
      5.100     3.300     0.900 peak   241 spectrum    1 weight  0.11000E+01 volume  0.33830E-03 ppm1      8.617 ppm2      2.811 CV     1
 ASSI {  242}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 25   and name HB2 ))
      4.700     2.700     1.300 peak   242 spectrum    1 weight  0.11000E+01 volume  0.63475E-03 ppm1      8.613 ppm2      1.733 CV     1
 ASSI {  243}
   (( segid "FecA" and resid 26   and name HN  ))
   (( segid "FecA" and resid 25   and name HB1 ))
      3.300     1.400     1.400 peak   243 spectrum    1 weight  0.11000E+01 volume  0.14351E-02 ppm1      8.616 ppm2      1.511 CV     1
 ASSI {  244}
   (( segid "FecA" and resid 26   and name HN  ))
   (  segid "FecA" and resid 24   and name HG2%)
      3.200     3.200     2.800 peak   244 spectrum    1 weight  0.11000E+01 volume  0.54600E-03 ppm1      8.620 ppm2      1.244 CV     1
 ASSI {  245}
   (( segid "FecA" and resid 26   and name HN  ))
   (  segid "FecA" and resid 25   and name HD1%)
      3.300     1.300     1.300 peak   245 spectrum    1 weight  0.11000E+01 volume  0.25866E-02 ppm1      8.616 ppm2      0.891 CV     1
 ASSI {  246}
   (( segid "FecA" and resid 53   and name HN  ))
   (( segid "FecA" and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.11000E+01 volume  0.52931E-02 ppm1      8.217 ppm2      7.679 CV     1
 ASSI {  247}
   (( segid "FecA" and resid 53   and name HN  ))
   (( segid "FecA" and resid 52   and name HA  ))
      3.700     1.700     1.700 peak   247 spectrum    1 weight  0.11000E+01 volume  0.77107E-03 ppm1      8.216 ppm2      4.040 CV     1
 ASSI {  248}
   (( segid "FecA" and resid 53   and name HN  ))
   (( segid "FecA" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak   248 spectrum    1 weight  0.11000E+01 volume  0.40665E-02 ppm1      8.216 ppm2      3.776 CV     1
 ASSI {  249}
   (( segid "FecA" and resid 53   and name HN  ))
   (( segid "FecA" and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak   249 spectrum    1 weight  0.11000E+01 volume  0.42670E-02 ppm1      8.216 ppm2      1.957 CV     1
 ASSI {  250}
   (( segid "FecA" and resid 53   and name HN  ))
   (( segid "FecA" and resid 53   and name HB2 ))
      2.200     0.600     0.600 peak   250 spectrum    1 weight  0.11000E+01 volume  0.64409E-02 ppm1      8.217 ppm2      1.783 CV     1
 ASSI {  251}
   (( segid "FecA" and resid 53   and name HN  ))
   (( segid "FecA" and resid 53   and name HG  ))
      2.400     0.700     0.700 peak   251 spectrum    1 weight  0.11000E+01 volume  0.33463E-02 ppm1      8.217 ppm2      1.369 CV     1
 ASSI {  252}
   (( segid "FecA" and resid 53   and name HN  ))
   (( segid "FecA" and resid 53   and name HB1 ))
      3.600     1.600     1.600 peak   252 spectrum    1 weight  0.11000E+01 volume  0.22800E-02 ppm1      8.217 ppm2      1.095 CV     1
 ASSI {  253}
   (( segid "FecA" and resid 53   and name HN  ))
   (  segid "FecA" and resid 53   and name HD1%)
      4.000     2.000     2.000 peak   253 spectrum    1 weight  0.11000E+01 volume  0.15591E-02 ppm1      8.217 ppm2      0.482 CV     1
 ASSI {  254}
   (( segid "FecA" and resid 53   and name HN  ))
   (  segid "FecA" and resid 54   and name HD1%)
      4.400     4.400     1.600 peak   254 spectrum    1 weight  0.11000E+01 volume  0.74501E-03 ppm1      8.215 ppm2      0.664 CV     1
 ASSI {  255}
   (( segid "FecA" and resid 53   and name HN  ))
   (  segid "FecA" and resid 40   and name HD2%)
      3.400     1.500     1.500 peak   255 spectrum    1 weight  0.11000E+01 volume  0.16830E-02 ppm1      8.216 ppm2     -0.030 CV     1
 ASSI {  256}
   (( segid "FecA" and resid 44   and name HN  ))
   (  segid "FecA" and resid 44   and name HD% )
      3.400     1.400     1.400 peak   256 spectrum    1 weight  0.11000E+01 volume  0.12094E-02 ppm1      8.201 ppm2      6.792 CV     1
 ASSI {  257}
   (( segid "FecA" and resid 44   and name HN  ))
   (( segid "FecA" and resid 43   and name HA  ))
      2.200     0.600     0.600 peak   257 spectrum    1 weight  0.11000E+01 volume  0.95354E-02 ppm1      8.201 ppm2      4.946 CV     1
 ASSI {  258}
   (( segid "FecA" and resid 44   and name HN  ))
   (( segid "FecA" and resid 44   and name HA  ))
      2.700     2.700     3.300 peak   258 spectrum    1 weight  0.11000E+01 volume  0.36344E-02 ppm1      8.202 ppm2      4.757 CV     1
 ASSI {  259}
   (( segid "FecA" and resid 44   and name HN  ))
   (( segid "FecA" and resid 1    and name HA  ))
      3.000     3.000     3.000 peak   259 spectrum    1 weight  0.11000E+01 volume  0.83459E-03 ppm1      8.201 ppm2      4.521 CV     1
 ASSI {  260}
   (( segid "FecA" and resid 44   and name HN  ))
   (( segid "FecA" and resid 2    and name HA  ))
      3.300     1.400     1.400 peak   260 spectrum    1 weight  0.11000E+01 volume  0.15971E-02 ppm1      8.201 ppm2      4.390 CV     1
 ASSI {  261}
   (( segid "FecA" and resid 44   and name HN  ))
   (( segid "FecA" and resid 44   and name HB2 ))
      2.800     1.000     1.000 peak   261 spectrum    1 weight  0.11000E+01 volume  0.15527E-02 ppm1      8.202 ppm2      3.186 CV     1
 ASSI {  262}
   (( segid "FecA" and resid 44   and name HN  ))
   (( segid "FecA" and resid 44   and name HB1 ))
      3.300     1.400     1.400 peak   262 spectrum    1 weight  0.11000E+01 volume  0.47533E-02 ppm1      8.201 ppm2      2.375 CV     1
 ASSI {  263}
   (( segid "FecA" and resid 44   and name HN  ))
   (  segid "FecA" and resid 3    and name HG1%)
      3.400     1.400     1.400 peak   263 spectrum    1 weight  0.11000E+01 volume  0.18620E-02 ppm1      8.209 ppm2      0.846 CV     1
 ASSI {  264}
   (( segid "FecA" and resid 46   and name HN  ))
   (( segid "FecA" and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   264 spectrum    1 weight  0.11000E+01 volume  0.54506E-02 ppm1      8.298 ppm2      4.905 CV     1
 ASSI {  265}
   (( segid "FecA" and resid 46   and name HN  ))
   (( segid "FecA" and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   265 spectrum    1 weight  0.11000E+01 volume  0.26667E-02 ppm1      8.297 ppm2      3.739 CV     1
 ASSI {  266}
   (( segid "FecA" and resid 46   and name HN  ))
   (( segid "FecA" and resid 45   and name HB2 ))
      3.300     1.400     1.400 peak   266 spectrum    1 weight  0.11000E+01 volume  0.31170E-02 ppm1      8.297 ppm2      2.996 CV     1
 ASSI {  267}
   (( segid "FecA" and resid 46   and name HN  ))
   (( segid "FecA" and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak   267 spectrum    1 weight  0.11000E+01 volume  0.19516E-02 ppm1      8.296 ppm2      2.761 CV     1
 ASSI {  268}
   (( segid "FecA" and resid 46   and name HN  ))
   (( segid "FecA" and resid 46   and name HB  ))
      2.500     0.800     0.800 peak   268 spectrum    1 weight  0.11000E+01 volume  0.45846E-02 ppm1      8.297 ppm2      1.633 CV     1
 ASSI {  269}
   (( segid "FecA" and resid 46   and name HN  ))
   (  segid "FecA" and resid 46   and name HG2%)
      2.400     0.700     0.700 peak   269 spectrum    1 weight  0.11000E+01 volume  0.51349E-02 ppm1      8.297 ppm2      0.854 CV     1
 ASSI {  270}
   (( segid "FecA" and resid 46   and name HN  ))
   (  segid "FecA" and resid 46   and name HG1%)
      4.500     2.500     1.500 peak   270 spectrum    1 weight  0.11000E+01 volume  0.99387E-03 ppm1      8.298 ppm2     -0.393 CV     1
 ASSI {  272}
   (( segid "FecA" and resid 64   and name HN  ))
   (( segid "FecA" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   272 spectrum    1 weight  0.11000E+01 volume  0.24362E-02 ppm1      7.954 ppm2      4.434 CV     1
 ASSI {  273}
   (( segid "FecA" and resid 64   and name HN  ))
   (( segid "FecA" and resid 63   and name HA  ))
      2.100     0.600     0.600 peak   273 spectrum    1 weight  0.11000E+01 volume  0.71894E-02 ppm1      7.957 ppm2      3.975 CV     1
 ASSI {  274}
   (( segid "FecA" and resid 64   and name HN  ))
   (( segid "FecA" and resid 64   and name HB1 ))
      2.500     0.800     0.800 peak   274 spectrum    1 weight  0.11000E+01 volume  0.79837E-02 ppm1      7.955 ppm2      1.361 CV     1
 ASSI {  275}
   (( segid "FecA" and resid 64   and name HN  ))
   (  segid "FecA" and resid 64   and name HD2%)
      3.200     1.200     1.200 peak   275 spectrum    1 weight  0.11000E+01 volume  0.42732E-02 ppm1      7.950 ppm2      0.807 CV     1
 ASSI {  276}
   (( segid "FecA" and resid 64   and name HN  ))
   (( segid "FecA" and resid 69   and name HA  ))
      2.000     0.500     0.500 peak   276 spectrum    1 weight  0.11000E+01 volume  0.67825E-02 ppm1      7.953 ppm2      5.079 CV     1
 ASSI {  277}
   (( segid "FecA" and resid 64   and name HN  ))
   (( segid "FecA" and resid 68   and name HN  ))
      3.600     1.700     1.700 peak   277 spectrum    1 weight  0.11000E+01 volume  0.64409E-03 ppm1      7.954 ppm2      7.010 CV     1
 ASSI {  278}
   (( segid "FecA" and resid 64   and name HN  ))
   (( segid "FecA" and resid 70   and name HN  ))
      4.700     2.700     1.300 peak   278 spectrum    1 weight  0.11000E+01 volume  0.61902E-03 ppm1      7.952 ppm2      9.144 CV     1
 ASSI {  279}
   (( segid "FecA" and resid 71   and name HN  ))
   (( segid "FecA" and resid 71   and name HA  ))
      3.000     1.100     1.100 peak   279 spectrum    1 weight  0.11000E+01 volume  0.19222E-02 ppm1      7.945 ppm2      5.491 CV     1
 ASSI {  280}
   (( segid "FecA" and resid 71   and name HN  ))
   (( segid "FecA" and resid 70   and name HB  ))
      3.900     1.900     1.900 peak   280 spectrum    1 weight  0.11000E+01 volume  0.15229E-02 ppm1      7.946 ppm2      4.143 CV     1
 ASSI {  281}
   (( segid "FecA" and resid 71   and name HN  ))
   (( segid "FecA" and resid 27   and name HB  ))
      3.600     1.600     1.600 peak   281 spectrum    1 weight  0.11000E+01 volume  0.12403E-02 ppm1      7.947 ppm2      2.048 CV     1
 ASSI {  282}
   (( segid "FecA" and resid 71   and name HN  ))
   (( segid "FecA" and resid 71   and name HB2 ))
      2.300     0.700     0.700 peak   282 spectrum    1 weight  0.11000E+01 volume  0.64344E-02 ppm1      7.943 ppm2      1.680 CV     1
 ASSI {  283}
   (( segid "FecA" and resid 71   and name HN  ))
   (  segid "FecA" and resid 70   and name HG2%)
      3.300     1.400     1.400 peak   283 spectrum    1 weight  0.11000E+01 volume  0.26933E-02 ppm1      7.945 ppm2      1.190 CV     1
 ASSI {  284}
   (( segid "FecA" and resid 71   and name HN  ))
   (( segid "FecA" and resid 70   and name HA  ))
      2.300     0.700     0.700 peak   284 spectrum    1 weight  0.11000E+01 volume  0.72146E-02 ppm1      7.943 ppm2      5.164 CV     1
 ASSI {  285}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.11000E+01 volume  0.26427E-02 ppm1      7.703 ppm2      8.905 CV     1
 ASSI {  286}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 10   and name HN  ))
      4.200     2.200     1.800 peak   286 spectrum    1 weight  0.11000E+01 volume  0.51738E-03 ppm1      7.703 ppm2      8.626 CV     1
 ASSI {  287}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.11000E+01 volume  0.29892E-02 ppm1      7.704 ppm2      8.012 CV     1
 ASSI {  288}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   288 spectrum    1 weight  0.11000E+01 volume  0.55827E-02 ppm1      7.703 ppm2      4.042 CV     1
 ASSI {  289}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak   289 spectrum    1 weight  0.11000E+01 volume  0.26225E-02 ppm1      7.703 ppm2      2.562 CV     1
 ASSI {  290}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak   290 spectrum    1 weight  0.11000E+01 volume  0.88450E-02 ppm1      7.704 ppm2      1.866 CV     1
 OR {  290}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 12   and name HB1 ))
 ASSI {  291}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 12   and name HG2 ))
      4.400     2.500     1.600 peak   291 spectrum    1 weight  0.11000E+01 volume  0.10286E-02 ppm1      7.704 ppm2      1.504 CV     1
 ASSI {  292}
   (( segid "FecA" and resid 12   and name HN  ))
   (( segid "FecA" and resid 12   and name HG1 ))
      4.100     2.100     1.900 peak   292 spectrum    1 weight  0.11000E+01 volume  0.14655E-02 ppm1      7.704 ppm2      1.365 CV     1
 ASSI {  293}
   (( segid "FecA" and resid 59   and name HN  ))
   (( segid "FecA" and resid 60   and name HN  ))
      4.600     2.700     1.400 peak   293 spectrum    1 weight  0.11000E+01 volume  0.54725E-03 ppm1      8.072 ppm2      9.359 CV     1
 ASSI {  294}
   (( segid "FecA" and resid 59   and name HN  ))
   (( segid "FecA" and resid 58   and name HN  ))
      2.600     0.900     0.900 peak   294 spectrum    1 weight  0.11000E+01 volume  0.39350E-02 ppm1      8.071 ppm2      8.855 CV     1
 ASSI {  295}
   (( segid "FecA" and resid 31   and name HN  ))
   (( segid "FecA" and resid 30   and name HN  ))
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.11000E+01 volume  0.45212E-02 ppm1      8.062 ppm2      8.651 CV     1
 ASSI {  297}
   (( segid "FecA" and resid 59   and name HN  ))
   (( segid "FecA" and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   297 spectrum    1 weight  0.11000E+01 volume  0.16684E-02 ppm1      8.072 ppm2      5.002 CV     1
 ASSI {  298}
   (( segid "FecA" and resid 59   and name HN  ))
   (( segid "FecA" and resid 57   and name HB1 ))
      3.400     1.500     1.500 peak   298 spectrum    1 weight  0.11000E+01 volume  0.28012E-02 ppm1      8.072 ppm2      3.799 CV     1
 ASSI {  299}
   (( segid "FecA" and resid 59   and name HN  ))
   (( segid "FecA" and resid 59   and name HB2 ))
      2.200     0.600     0.600 peak   299 spectrum    1 weight  0.11000E+01 volume  0.89712E-02 ppm1      8.065 ppm2      1.940 CV     1
 ASSI {  300}
   (( segid "FecA" and resid 59   and name HN  ))
   (( segid "FecA" and resid 59   and name HG  ))
      2.300     0.700     0.700 peak   300 spectrum    1 weight  0.11000E+01 volume  0.76514E-02 ppm1      8.067 ppm2      1.516 CV     1
 ASSI {  301}
   (( segid "FecA" and resid 59   and name HN  ))
   (( segid "FecA" and resid 59   and name HB1 ))
      3.400     1.500     1.500 peak   301 spectrum    1 weight  0.11000E+01 volume  0.21477E-02 ppm1      8.074 ppm2      1.170 CV     1
 ASSI {  302}
   (( segid "FecA" and resid 59   and name HN  ))
   (  segid "FecA" and resid 59   and name HD1%)
      3.500     1.600     1.600 peak   302 spectrum    1 weight  0.11000E+01 volume  0.36758E-02 ppm1      8.071 ppm2      0.719 CV     1
 ASSI {  303}
   (( segid "FecA" and resid 31   and name HN  ))
   (( segid "FecA" and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   303 spectrum    1 weight  0.11000E+01 volume  0.63252E-02 ppm1      8.064 ppm2      4.284 CV     1
 ASSI {  304}
   (( segid "FecA" and resid 31   and name HN  ))
   (( segid "FecA" and resid 30   and name HB2 ))
      2.800     2.800     3.200 peak   304 spectrum    1 weight  0.11000E+01 volume  0.59988E-02 ppm1      8.065 ppm2      4.154 CV     1
 OR {  304}
   (( segid "FecA" and resid 31   and name HN  ))
   (( segid "FecA" and resid 30   and name HB1 ))
 ASSI {  305}
   (( segid "FecA" and resid 31   and name HN  ))
   (( segid "FecA" and resid 31   and name HG  ))
      2.300     0.700     0.700 peak   305 spectrum    1 weight  0.11000E+01 volume  0.55670E-02 ppm1      8.061 ppm2      1.721 CV     1
 ASSI {  306}
   (( segid "FecA" and resid 31   and name HN  ))
   (  segid "FecA" and resid 31   and name HD1%)
      3.600     1.600     1.600 peak   306 spectrum    1 weight  0.11000E+01 volume  0.29242E-02 ppm1      8.062 ppm2      0.955 CV     1
 ASSI {  307}
   (( segid "FecA" and resid 16   and name HN  ))
   (( segid "FecA" and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   307 spectrum    1 weight  0.11000E+01 volume  0.27782E-02 ppm1      8.606 ppm2      7.826 CV     1
 ASSI {  308}
   (( segid "FecA" and resid 16   and name HN  ))
   (( segid "FecA" and resid 15   and name HA  ))
      3.700     1.700     1.700 peak   308 spectrum    1 weight  0.11000E+01 volume  0.95248E-03 ppm1      8.605 ppm2      4.377 CV     1
 ASSI {  309}
   (( segid "FecA" and resid 16   and name HN  ))
   (( segid "FecA" and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.11000E+01 volume  0.43711E-02 ppm1      8.606 ppm2      4.092 CV     1
 ASSI {  310}
   (( segid "FecA" and resid 16   and name HN  ))
   (( segid "FecA" and resid 15   and name HB2 ))
      3.700     1.700     1.700 peak   310 spectrum    1 weight  0.11000E+01 volume  0.26299E-02 ppm1      8.606 ppm2      2.907 CV     1
 ASSI {  311}
   (( segid "FecA" and resid 16   and name HN  ))
   (( segid "FecA" and resid 16   and name HG2 ))
      3.500     1.600     1.600 peak   311 spectrum    1 weight  0.11000E+01 volume  0.33579E-02 ppm1      8.606 ppm2      2.673 CV     1
 ASSI {  312}
   (( segid "FecA" and resid 16   and name HN  ))
   (( segid "FecA" and resid 16   and name HG1 ))
      3.300     1.300     1.300 peak   312 spectrum    1 weight  0.11000E+01 volume  0.54248E-02 ppm1      8.606 ppm2      2.348 CV     1
 ASSI {  313}
   (( segid "FecA" and resid 16   and name HN  ))
   (( segid "FecA" and resid 16   and name HB1 ))
      2.800     1.000     1.000 peak   313 spectrum    1 weight  0.11000E+01 volume  0.25948E-02 ppm1      8.606 ppm2      2.042 CV     1
 ASSI {  314}
   (( segid "FecA" and resid 16   and name HN  ))
   (( segid "FecA" and resid 12   and name HG1 ))
      2.900     2.900     3.100 peak   314 spectrum    1 weight  0.11000E+01 volume  0.96839E-03 ppm1      8.606 ppm2      1.402 CV     1
 ASSI {  315}
   (( segid "FecA" and resid 16   and name HN  ))
   (  segid "FecA" and resid 14   and name HD2%)
      4.700     4.700     1.300 peak   315 spectrum    1 weight  0.11000E+01 volume  0.69111E-03 ppm1      8.606 ppm2      0.705 CV     1
 ASSI {  316}
   (( segid "FecA" and resid 2    and name HN  ))
   (( segid "FecA" and resid 3    and name HN  ))
      3.700     1.700     1.700 peak   316 spectrum    1 weight  0.11000E+01 volume  0.13580E-02 ppm1      8.270 ppm2      8.762 CV     1
 ASSI {  317}
   (( segid "FecA" and resid 2    and name HN  ))
   (( segid "FecA" and resid 1    and name HA  ))
      2.500     0.800     0.800 peak   317 spectrum    1 weight  0.11000E+01 volume  0.68260E-02 ppm1      8.270 ppm2      4.526 CV     1
 ASSI {  318}
   (( segid "FecA" and resid 2    and name HN  ))
   (( segid "FecA" and resid 2    and name HA  ))
      3.000     1.100     1.100 peak   318 spectrum    1 weight  0.11000E+01 volume  0.22977E-02 ppm1      8.270 ppm2      4.400 CV     1
 ASSI {  319}
   (( segid "FecA" and resid 2    and name HN  ))
   (( segid "FecA" and resid 2    and name HG2 ))
      3.600     1.600     1.600 peak   319 spectrum    1 weight  0.11000E+01 volume  0.12675E-02 ppm1      8.269 ppm2      2.297 CV     1
 OR {  319}
   (( segid "FecA" and resid 2    and name HN  ))
   (( segid "FecA" and resid 2    and name HG1 ))
 ASSI {  320}
   (( segid "FecA" and resid 2    and name HN  ))
   (( segid "FecA" and resid 2    and name HB2 ))
      2.700     0.900     0.900 peak   320 spectrum    1 weight  0.11000E+01 volume  0.54381E-02 ppm1      8.270 ppm2      1.982 CV     1
 OR {  320}
   (( segid "FecA" and resid 2    and name HN  ))
   (( segid "FecA" and resid 2    and name HB1 ))
 ASSI {  321}
   (( segid "FecA" and resid 2    and name HN  ))
   (  segid "FecA" and resid 1    and name HB% )
      3.800     1.800     1.800 peak   321 spectrum    1 weight  0.11000E+01 volume  0.16351E-02 ppm1      8.270 ppm2      1.447 CV     1
 ASSI {  323}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   323 spectrum    1 weight  0.11000E+01 volume  0.75663E-02 ppm1      8.931 ppm2      5.489 CV     1
 ASSI {  324}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   324 spectrum    1 weight  0.11000E+01 volume  0.24659E-02 ppm1      8.931 ppm2      4.956 CV     1
 ASSI {  325}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 61   and name HA  ))
      3.000     1.100     1.100 peak   325 spectrum    1 weight  0.11000E+01 volume  0.15858E-02 ppm1      8.931 ppm2      4.810 CV     1
 ASSI {  326}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 73   and name HD1 ))
      4.800     2.900     1.200 peak   326 spectrum    1 weight  0.11000E+01 volume  0.44259E-03 ppm1      8.930 ppm2      3.732 CV     1
 ASSI {  327}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 72   and name HG2 ))
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.11000E+01 volume  0.29271E-02 ppm1      8.932 ppm2      2.128 CV     1
 OR {  327}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 72   and name HG1 ))
 ASSI {  328}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak   328 spectrum    1 weight  0.11000E+01 volume  0.22073E-02 ppm1      8.931 ppm2      1.969 CV     1
 ASSI {  329}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 71   and name HB2 ))
      4.200     2.200     1.800 peak   329 spectrum    1 weight  0.11000E+01 volume  0.12588E-02 ppm1      8.930 ppm2      1.684 CV     1
 ASSI {  330}
   (( segid "FecA" and resid 72   and name HN  ))
   (( segid "FecA" and resid 71   and name HB1 ))
      3.600     1.700     1.700 peak   330 spectrum    1 weight  0.11000E+01 volume  0.16688E-02 ppm1      8.931 ppm2      1.400 CV     1
 ASSI {  331}
   (( segid "FecA" and resid 72   and name HN  ))
   (  segid "FecA" and resid 70   and name HG2%)
      4.000     2.000     2.000 peak   331 spectrum    1 weight  0.11000E+01 volume  0.52052E-03 ppm1      8.931 ppm2      1.189 CV     1
 ASSI {  332}
   (( segid "FecA" and resid 72   and name HN  ))
   (  segid "FecA" and resid 71   and name HD1%)
      3.400     1.400     1.400 peak   332 spectrum    1 weight  0.11000E+01 volume  0.23650E-02 ppm1      8.932 ppm2      0.834 CV     1
 ASSI {  334}
   (( segid "FecA" and resid 40   and name HN  ))
   (( segid "FecA" and resid 4    and name HA  ))
      5.000     3.200     1.000 peak   334 spectrum    1 weight  0.11000E+01 volume  0.45514E-03 ppm1      8.436 ppm2      5.173 CV     1
 ASSI {  335}
   (( segid "FecA" and resid 40   and name HN  ))
   (( segid "FecA" and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   335 spectrum    1 weight  0.11000E+01 volume  0.22053E-02 ppm1      8.435 ppm2      4.302 CV     1
 ASSI {  336}
   (( segid "FecA" and resid 40   and name HN  ))
   (( segid "FecA" and resid 39   and name HA2 ))
      2.600     0.800     0.800 peak   336 spectrum    1 weight  0.11000E+01 volume  0.47932E-02 ppm1      8.434 ppm2      4.018 CV     1
 ASSI {  337}
   (( segid "FecA" and resid 40   and name HN  ))
   (( segid "FecA" and resid 39   and name HA1 ))
      2.700     0.900     0.900 peak   337 spectrum    1 weight  0.11000E+01 volume  0.38368E-02 ppm1      8.435 ppm2      2.847 CV     1
 ASSI {  338}
   (( segid "FecA" and resid 40   and name HN  ))
   (( segid "FecA" and resid 5    and name HB  ))
      2.400     0.700     0.700 peak   338 spectrum    1 weight  0.11000E+01 volume  0.40925E-02 ppm1      8.435 ppm2      1.583 CV     1
 ASSI {  339}
   (( segid "FecA" and resid 40   and name HN  ))
   (( segid "FecA" and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak   339 spectrum    1 weight  0.11000E+01 volume  0.31914E-02 ppm1      8.435 ppm2      1.102 CV     1
 ASSI {  340}
   (( segid "FecA" and resid 40   and name HN  ))
   (( segid "FecA" and resid 40   and name HB1 ))
      2.600     0.800     0.800 peak   340 spectrum    1 weight  0.11000E+01 volume  0.38305E-02 ppm1      8.434 ppm2      0.910 CV     1
 ASSI {  341}
   (( segid "FecA" and resid 40   and name HN  ))
   (  segid "FecA" and resid 53   and name HD2%)
      4.300     2.300     1.700 peak   341 spectrum    1 weight  0.11000E+01 volume  0.84064E-03 ppm1      8.432 ppm2      0.516 CV     1
 ASSI {  342}
   (( segid "FecA" and resid 40   and name HN  ))
   (  segid "FecA" and resid 40   and name HD2%)
      4.900     3.000     1.100 peak   342 spectrum    1 weight  0.11000E+01 volume  0.64608E-03 ppm1      8.430 ppm2     -0.025 CV     1
 ASSI {  343}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 34   and name HN  ))
      3.400     1.500     1.500 peak   343 spectrum    1 weight  0.11000E+01 volume  0.11506E-02 ppm1      7.657 ppm2      9.124 CV     1
 ASSI {  344}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 10   and name HN  ))
      4.100     2.100     1.900 peak   344 spectrum    1 weight  0.11000E+01 volume  0.46391E-03 ppm1      7.657 ppm2      8.606 CV     1
 ASSI {  345}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 35   and name HA  ))
      3.000     1.200     1.200 peak   345 spectrum    1 weight  0.11000E+01 volume  0.21341E-02 ppm1      7.655 ppm2      4.585 CV     1
 ASSI {  346}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 34   and name HA2 ))
      2.700     0.900     0.900 peak   346 spectrum    1 weight  0.11000E+01 volume  0.32682E-02 ppm1      7.656 ppm2      4.156 CV     1
 ASSI {  347}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 34   and name HA1 ))
      4.000     2.000     2.000 peak   347 spectrum    1 weight  0.11000E+01 volume  0.14300E-02 ppm1      7.657 ppm2      3.804 CV     1
 ASSI {  348}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 35   and name HE1 ))
      5.600     3.900     0.400 peak   348 spectrum    1 weight  0.11000E+01 volume  0.27413E-03 ppm1      7.656 ppm2      3.137 CV     1
 OR {  348}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 35   and name HE2 ))
 ASSI {  349}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   349 spectrum    1 weight  0.11000E+01 volume  0.58849E-02 ppm1      7.656 ppm2      1.922 CV     1
 ASSI {  350}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 35   and name HB1 ))
      2.600     0.900     0.900 peak   350 spectrum    1 weight  0.11000E+01 volume  0.62184E-02 ppm1      7.656 ppm2      1.805 CV     1
 ASSI {  351}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 35   and name HG1 ))
      3.100     1.200     1.200 peak   351 spectrum    1 weight  0.11000E+01 volume  0.46777E-02 ppm1      7.656 ppm2      1.384 CV     1
 OR {  351}
   (( segid "FecA" and resid 35   and name HN  ))
   (( segid "FecA" and resid 35   and name HG2 ))
 ASSI {  352}
   (( segid "FecA" and resid 35   and name HN  ))
   (  segid "FecA" and resid 10   and name HD2%)
      4.100     2.100     1.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.80706E-03 ppm1      7.655 ppm2      0.833 CV     1
 ASSI {  353}
   (( segid "FecA" and resid 19   and name HN  ))
   (( segid "FecA" and resid 17   and name HN  ))
      4.300     2.300     1.700 peak   353 spectrum    1 weight  0.11000E+01 volume  0.41585E-03 ppm1      7.577 ppm2      8.578 CV     1
 ASSI {  355}
   (( segid "FecA" and resid 19   and name HN  ))
   (( segid "FecA" and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   355 spectrum    1 weight  0.11000E+01 volume  0.35585E-02 ppm1      7.576 ppm2      8.045 CV     1
 ASSI {  356}
   (( segid "FecA" and resid 19   and name HN  ))
   (( segid "FecA" and resid 15   and name HA  ))
      3.100     3.100     2.900 peak   356 spectrum    1 weight  0.11000E+01 volume  0.72317E-03 ppm1      7.577 ppm2      4.389 CV     1
 ASSI {  357}
   (( segid "FecA" and resid 19   and name HN  ))
   (( segid "FecA" and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   357 spectrum    1 weight  0.11000E+01 volume  0.37685E-02 ppm1      7.576 ppm2      4.063 CV     1
 ASSI {  358}
   (( segid "FecA" and resid 19   and name HN  ))
   (( segid "FecA" and resid 20   and name HB1 ))
      5.100     3.300     0.900 peak   358 spectrum    1 weight  0.11000E+01 volume  0.49772E-03 ppm1      7.574 ppm2      3.300 CV     1
 OR {  358}
   (( segid "FecA" and resid 19   and name HN  ))
   (( segid "FecA" and resid 20   and name HB2 ))
 ASSI {  359}
   (( segid "FecA" and resid 19   and name HN  ))
   (( segid "FecA" and resid 18   and name HA  ))
      3.800     1.800     1.800 peak   359 spectrum    1 weight  0.11000E+01 volume  0.77618E-03 ppm1      7.576 ppm2      2.137 CV     1
 ASSI {  360}
   (( segid "FecA" and resid 19   and name HN  ))
   (  segid "FecA" and resid 19   and name HB% )
      2.500     0.800     0.800 peak   360 spectrum    1 weight  0.11000E+01 volume  0.79379E-02 ppm1      7.576 ppm2      1.456 CV     1
 ASSI {  361}
   (( segid "FecA" and resid 19   and name HN  ))
   (  segid "FecA" and resid 18   and name HB% )
      2.800     1.000     1.000 peak   361 spectrum    1 weight  0.11000E+01 volume  0.38537E-02 ppm1      7.576 ppm2      1.008 CV     1
 ASSI {  363}
   (( segid "FecA" and resid 52   and name HN  ))
   (( segid "FecA" and resid 48   and name HA  ))
      4.100     2.100     1.900 peak   363 spectrum    1 weight  0.11000E+01 volume  0.54785E-03 ppm1      7.690 ppm2      4.272 CV     1
 ASSI {  364}
   (( segid "FecA" and resid 52   and name HN  ))
   (( segid "FecA" and resid 52   and name HA  ))
      2.900     1.100     1.100 peak   364 spectrum    1 weight  0.11000E+01 volume  0.26059E-02 ppm1      7.689 ppm2      4.042 CV     1
 ASSI {  365}
   (( segid "FecA" and resid 52   and name HN  ))
   (( segid "FecA" and resid 51   and name HA  ))
      3.400     1.500     1.500 peak   365 spectrum    1 weight  0.11000E+01 volume  0.15525E-02 ppm1      7.688 ppm2      3.790 CV     1
 ASSI {  366}
   (( segid "FecA" and resid 52   and name HN  ))
   (( segid "FecA" and resid 49   and name HA1 ))
      4.100     2.100     1.900 peak   366 spectrum    1 weight  0.11000E+01 volume  0.84205E-03 ppm1      7.689 ppm2      3.024 CV     1
 ASSI {  367}
   (( segid "FecA" and resid 52   and name HN  ))
   (( segid "FecA" and resid 51   and name HB2 ))
      3.500     1.500     1.500 peak   367 spectrum    1 weight  0.11000E+01 volume  0.41834E-02 ppm1      7.686 ppm2      2.201 CV     1
 ASSI {  368}
   (( segid "FecA" and resid 52   and name HN  ))
   (( segid "FecA" and resid 52   and name HB1 ))
      3.000     1.100     1.100 peak   368 spectrum    1 weight  0.11000E+01 volume  0.45842E-02 ppm1      7.689 ppm2      1.767 CV     1
 ASSI {  369}
   (( segid "FecA" and resid 52   and name HN  ))
   (( segid "FecA" and resid 52   and name HB2 ))
      2.300     0.700     0.700 peak   369 spectrum    1 weight  0.11000E+01 volume  0.54050E-02 ppm1      7.688 ppm2      1.978 CV     1
 ASSI {  371}
   (( segid "FecA" and resid 47   and name HN  ))
   (( segid "FecA" and resid 48   and name HB2 ))
      6.000     5.600     0.000 peak   371 spectrum    1 weight  0.11000E+01 volume  0.65184E-04 ppm1      8.362 ppm2      4.111 CV     1
 ASSI {  372}
   (( segid "FecA" and resid 47   and name HN  ))
   (( segid "FecA" and resid 46   and name HA  ))
      3.900     1.900     1.900 peak   372 spectrum    1 weight  0.11000E+01 volume  0.76144E-03 ppm1      8.362 ppm2      3.733 CV     1
 ASSI {  373}
   (( segid "FecA" and resid 47   and name HN  ))
   (( segid "FecA" and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   373 spectrum    1 weight  0.11000E+01 volume  0.25279E-02 ppm1      8.362 ppm2      3.272 CV     1
 ASSI {  374}
   (( segid "FecA" and resid 47   and name HN  ))
   (( segid "FecA" and resid 45   and name HB2 ))
      4.400     2.500     1.600 peak   374 spectrum    1 weight  0.11000E+01 volume  0.39033E-03 ppm1      8.360 ppm2      3.004 CV     1
 ASSI {  375}
   (( segid "FecA" and resid 47   and name HN  ))
   (( segid "FecA" and resid 45   and name HB1 ))
      5.900     4.300     0.100 peak   375 spectrum    1 weight  0.11000E+01 volume  0.68465E-04 ppm1      8.363 ppm2      2.772 CV     1
 ASSI {  376}
   (( segid "FecA" and resid 47   and name HN  ))
   (( segid "FecA" and resid 47   and name HB2 ))
      2.100     0.600     0.600 peak   376 spectrum    1 weight  0.11000E+01 volume  0.89283E-02 ppm1      8.362 ppm2      2.077 CV     1
 ASSI {  377}
   (( segid "FecA" and resid 47   and name HN  ))
   (( segid "FecA" and resid 46   and name HB  ))
      2.400     0.700     0.700 peak   377 spectrum    1 weight  0.11000E+01 volume  0.32105E-02 ppm1      8.362 ppm2      1.629 CV     1
 ASSI {  378}
   (( segid "FecA" and resid 47   and name HN  ))
   (  segid "FecA" and resid 46   and name HG2%)
      4.500     2.500     1.500 peak   378 spectrum    1 weight  0.11000E+01 volume  0.10872E-02 ppm1      8.362 ppm2      0.849 CV     1
 ASSI {  379}
   (( segid "FecA" and resid 47   and name HN  ))
   (  segid "FecA" and resid 46   and name HG1%)
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.11000E+01 volume  0.11219E-02 ppm1      8.362 ppm2     -0.390 CV     1
 ASSI {  380}
   (( segid "FecA" and resid 61   and name HN  ))
   (( segid "FecA" and resid 60   and name HN  ))
      4.600     2.600     1.400 peak   380 spectrum    1 weight  0.11000E+01 volume  0.41717E-03 ppm1      8.491 ppm2      9.355 CV     1
 ASSI {  381}
   (( segid "FecA" and resid 61   and name HN  ))
   (( segid "FecA" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak   381 spectrum    1 weight  0.11000E+01 volume  0.84399E-02 ppm1      8.487 ppm2      4.861 CV     1
 ASSI {  382}
   (( segid "FecA" and resid 61   and name HN  ))
   (( segid "FecA" and resid 61   and name HB  ))
      2.400     0.700     0.700 peak   382 spectrum    1 weight  0.11000E+01 volume  0.76133E-02 ppm1      8.487 ppm2      2.031 CV     1
 ASSI {  383}
   (( segid "FecA" and resid 61   and name HN  ))
   (  segid "FecA" and resid 61   and name HG2%)
      3.200     1.300     1.300 peak   383 spectrum    1 weight  0.11000E+01 volume  0.47734E-02 ppm1      8.488 ppm2      0.879 CV     1
 ASSI {  384}
   (( segid "FecA" and resid 61   and name HN  ))
   (  segid "FecA" and resid 54   and name HD1%)
      3.500     1.500     1.500 peak   384 spectrum    1 weight  0.11000E+01 volume  0.11692E-02 ppm1      8.488 ppm2      0.639 CV     1
 ASSI {  385}
   (( segid "FecA" and resid 9    and name HN  ))
   (( segid "FecA" and resid 8    and name HA2 ))
      3.200     1.300     1.300 peak   385 spectrum    1 weight  0.11000E+01 volume  0.14204E-02 ppm1      8.640 ppm2      4.333 CV     1
 ASSI {  386}
   (( segid "FecA" and resid 9    and name HN  ))
   (( segid "FecA" and resid 8    and name HA1 ))
      3.500     1.500     1.500 peak   386 spectrum    1 weight  0.11000E+01 volume  0.10583E-02 ppm1      8.640 ppm2      3.968 CV     1
 ASSI {  387}
   (( segid "FecA" and resid 9    and name HN  ))
   (( segid "FecA" and resid 9    and name HB2 ))
      4.300     2.300     1.700 peak   387 spectrum    1 weight  0.11000E+01 volume  0.42629E-03 ppm1      8.634 ppm2      4.177 CV     1
 ASSI {  391}
   (( segid "FecA" and resid 11   and name HN  ))
   (( segid "FecA" and resid 9    and name HA  ))
      4.300     2.300     1.700 peak   391 spectrum    1 weight  0.11000E+01 volume  0.44639E-03 ppm1      8.902 ppm2      4.400 CV     1
 ASSI {  392}
   (( segid "FecA" and resid 11   and name HN  ))
   (( segid "FecA" and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   392 spectrum    1 weight  0.11000E+01 volume  0.57332E-02 ppm1      8.902 ppm2      4.077 CV     1
 ASSI {  393}
   (( segid "FecA" and resid 11   and name HN  ))
   (( segid "FecA" and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.11000E+01 volume  0.45395E-02 ppm1      8.902 ppm2      2.545 CV     1
 ASSI {  394}
   (( segid "FecA" and resid 11   and name HN  ))
   (( segid "FecA" and resid 12   and name HB2 ))
      3.900     1.900     1.900 peak   394 spectrum    1 weight  0.11000E+01 volume  0.18289E-02 ppm1      8.903 ppm2      1.864 CV     1
 OR {  394}
   (( segid "FecA" and resid 11   and name HN  ))
   (( segid "FecA" and resid 12   and name HB1 ))
 ASSI {  395}
   (( segid "FecA" and resid 11   and name HN  ))
   (( segid "FecA" and resid 10   and name HB2 ))
      3.400     1.500     1.500 peak   395 spectrum    1 weight  0.11000E+01 volume  0.31779E-02 ppm1      8.903 ppm2      1.706 CV     1
 ASSI {  396}
   (( segid "FecA" and resid 11   and name HN  ))
   (( segid "FecA" and resid 10   and name HG  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.11000E+01 volume  0.14250E-02 ppm1      8.904 ppm2      1.462 CV     1
 ASSI {  397}
   (( segid "FecA" and resid 11   and name HN  ))
   (( segid "FecA" and resid 10   and name HB1 ))
      3.000     1.200     1.200 peak   397 spectrum    1 weight  0.11000E+01 volume  0.11089E-02 ppm1      8.903 ppm2      1.081 CV     1
 ASSI {  398}
   (( segid "FecA" and resid 11   and name HN  ))
   (  segid "FecA" and resid 10   and name HD2%)
      3.900     1.900     1.900 peak   398 spectrum    1 weight  0.11000E+01 volume  0.18609E-02 ppm1      8.902 ppm2      0.825 CV     1
 ASSI {  399}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 72   and name HN  ))
      3.000     1.200     1.200 peak   399 spectrum    1 weight  0.11000E+01 volume  0.18428E-02 ppm1      9.352 ppm2      8.931 CV     1
 ASSI {  401}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 71   and name HA  ))
      4.200     2.200     1.800 peak   401 spectrum    1 weight  0.11000E+01 volume  0.52000E-03 ppm1      9.349 ppm2      5.495 CV     1
 ASSI {  402}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 59   and name HA  ))
      2.600     0.800     0.800 peak   402 spectrum    1 weight  0.11000E+01 volume  0.53151E-02 ppm1      9.350 ppm2      5.003 CV     1
 ASSI {  403}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   403 spectrum    1 weight  0.11000E+01 volume  0.25428E-02 ppm1      9.346 ppm2      4.858 CV     1
 ASSI {  404}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 75   and name HA  ))
      4.500     2.500     1.500 peak   404 spectrum    1 weight  0.11000E+01 volume  0.72276E-03 ppm1      9.351 ppm2      4.618 CV     1
 ASSI {  405}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 73   and name HA  ))
      5.400     3.700     0.600 peak   405 spectrum    1 weight  0.11000E+01 volume  0.93587E-04 ppm1      9.353 ppm2      4.376 CV     1
 ASSI {  406}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 60   and name HG2 ))
      3.000     3.000     3.000 peak   406 spectrum    1 weight  0.11000E+01 volume  0.31806E-02 ppm1      9.352 ppm2      2.245 CV     1
 ASSI {  407}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak   407 spectrum    1 weight  0.11000E+01 volume  0.26289E-02 ppm1      9.351 ppm2      2.117 CV     1
 ASSI {  408}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 60   and name HB1 ))
      3.100     1.200     1.200 peak   408 spectrum    1 weight  0.11000E+01 volume  0.24818E-02 ppm1      9.352 ppm2      1.975 CV     1
 ASSI {  409}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 59   and name HG  ))
      4.700     2.800     1.300 peak   409 spectrum    1 weight  0.11000E+01 volume  0.74900E-03 ppm1      9.354 ppm2      1.496 CV     1
 ASSI {  410}
   (( segid "FecA" and resid 60   and name HN  ))
   (( segid "FecA" and resid 59   and name HB1 ))
      2.600     0.800     0.800 peak   410 spectrum    1 weight  0.11000E+01 volume  0.28298E-02 ppm1      9.352 ppm2      1.166 CV     1
 ASSI {  411}
   (( segid "FecA" and resid 60   and name HN  ))
   (  segid "FecA" and resid 59   and name HD2%)
      3.700     1.700     1.700 peak   411 spectrum    1 weight  0.11000E+01 volume  0.26454E-02 ppm1      9.353 ppm2      0.800 CV     1
 ASSI {  413}
   (( segid "FecA" and resid 20   and name HN  ))
   (( segid "FecA" and resid 20   and name HD2 ))
      5.400     3.700     0.600 peak   413 spectrum    1 weight  0.11000E+01 volume  0.35568E-03 ppm1      8.036 ppm2      7.079 CV     1
 ASSI {  414}
   (( segid "FecA" and resid 20   and name HN  ))
   (( segid "FecA" and resid 17   and name HA  ))
      3.300     1.300     1.300 peak   414 spectrum    1 weight  0.11000E+01 volume  0.14830E-02 ppm1      8.038 ppm2      4.445 CV     1
 ASSI {  415}
   (( segid "FecA" and resid 20   and name HN  ))
   (( segid "FecA" and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   415 spectrum    1 weight  0.11000E+01 volume  0.29413E-02 ppm1      8.038 ppm2      4.268 CV     1
 ASSI {  416}
   (( segid "FecA" and resid 20   and name HN  ))
   (( segid "FecA" and resid 19   and name HA  ))
      3.500     1.500     1.500 peak   416 spectrum    1 weight  0.11000E+01 volume  0.12469E-02 ppm1      8.038 ppm2      4.073 CV     1
 ASSI {  417}
   (( segid "FecA" and resid 20   and name HN  ))
   (( segid "FecA" and resid 21   and name HB1 ))
      5.600     4.000     0.400 peak   417 spectrum    1 weight  0.11000E+01 volume  0.28891E-03 ppm1      8.037 ppm2      3.688 CV     1
 ASSI {  418}
   (( segid "FecA" and resid 20   and name HN  ))
   (( segid "FecA" and resid 20   and name HB1 ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.11000E+01 volume  0.81322E-02 ppm1      8.038 ppm2      3.295 CV     1
 OR {  418}
   (( segid "FecA" and resid 20   and name HN  ))
   (( segid "FecA" and resid 20   and name HB2 ))
 ASSI {  419}
   (( segid "FecA" and resid 20   and name HN  ))
   (  segid "FecA" and resid 19   and name HB% )
      3.100     1.200     1.200 peak   419 spectrum    1 weight  0.11000E+01 volume  0.28236E-02 ppm1      8.038 ppm2      1.453 CV     1
 ASSI {  420}
   (( segid "FecA" and resid 20   and name HN  ))
   (  segid "FecA" and resid 18   and name HB% )
      5.200     3.400     0.800 peak   420 spectrum    1 weight  0.11000E+01 volume  0.27585E-03 ppm1      8.038 ppm2      0.995 CV     1
 ASSI {  421}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 14   and name HN  ))
      2.300     0.700     0.700 peak   421 spectrum    1 weight  0.11000E+01 volume  0.60898E-02 ppm1      7.824 ppm2      8.611 CV     1
 ASSI {  422}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 15   and name HD22))
      6.000     5.300     0.000 peak   422 spectrum    1 weight  0.11000E+01 volume  0.23451E-03 ppm1      7.821 ppm2      6.907 CV     1
 ASSI {  423}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 15   and name HA  ))
      3.000     1.100     1.100 peak   423 spectrum    1 weight  0.11000E+01 volume  0.23754E-02 ppm1      7.824 ppm2      4.371 CV     1
 ASSI {  424}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 12   and name HA  ))
      3.300     1.300     1.300 peak   424 spectrum    1 weight  0.11000E+01 volume  0.20954E-02 ppm1      7.824 ppm2      4.059 CV     1
 ASSI {  425}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 14   and name HA  ))
      3.600     1.600     1.600 peak   425 spectrum    1 weight  0.11000E+01 volume  0.88978E-03 ppm1      7.824 ppm2      3.887 CV     1
 ASSI {  426}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak   426 spectrum    1 weight  0.11000E+01 volume  0.61103E-02 ppm1      7.824 ppm2      2.905 CV     1
 ASSI {  427}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 15   and name HB1 ))
      2.400     0.700     0.700 peak   427 spectrum    1 weight  0.11000E+01 volume  0.64121E-02 ppm1      7.824 ppm2      2.763 CV     1
 ASSI {  428}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   428 spectrum    1 weight  0.11000E+01 volume  0.36997E-02 ppm1      7.825 ppm2      1.964 CV     1
 ASSI {  429}
   (( segid "FecA" and resid 15   and name HN  ))
   (( segid "FecA" and resid 14   and name HB1 ))
      3.500     1.500     1.500 peak   429 spectrum    1 weight  0.11000E+01 volume  0.22362E-02 ppm1      7.824 ppm2      1.311 CV     1
 ASSI {  430}
   (( segid "FecA" and resid 15   and name HN  ))
   (  segid "FecA" and resid 14   and name HD1%)
      4.300     2.300     1.700 peak   430 spectrum    1 weight  0.11000E+01 volume  0.13067E-02 ppm1      7.824 ppm2      0.743 CV     1
 ASSI {  432}
   (( segid "FecA" and resid 67   and name HN  ))
   (( segid "FecA" and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.11000E+01 volume  0.42884E-02 ppm1      8.779 ppm2      4.417 CV     1
 ASSI {  433}
   (( segid "FecA" and resid 67   and name HN  ))
   (( segid "FecA" and resid 66   and name HA  ))
      3.200     1.300     1.300 peak   433 spectrum    1 weight  0.11000E+01 volume  0.16784E-02 ppm1      8.778 ppm2      4.283 CV     1
 ASSI {  434}
   (( segid "FecA" and resid 67   and name HN  ))
   (( segid "FecA" and resid 67   and name HB2 ))
      4.200     2.200     1.800 peak   434 spectrum    1 weight  0.11000E+01 volume  0.44541E-03 ppm1      8.777 ppm2      3.352 CV     1
 ASSI {  435}
   (( segid "FecA" and resid 67   and name HN  ))
   (( segid "FecA" and resid 67   and name HB1 ))
      3.800     1.800     1.800 peak   435 spectrum    1 weight  0.11000E+01 volume  0.10638E-02 ppm1      8.776 ppm2      2.652 CV     1
 ASSI {  436}
   (( segid "FecA" and resid 67   and name HN  ))
   (( segid "FecA" and resid 66   and name HB2 ))
      5.900     4.400     0.100 peak   436 spectrum    1 weight  0.11000E+01 volume  0.70949E-04 ppm1      8.778 ppm2      2.844 CV     1
 ASSI {  439}
   (( segid "FecA" and resid 56   and name HN  ))
   (( segid "FecA" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   439 spectrum    1 weight  0.11000E+01 volume  0.53183E-02 ppm1      8.906 ppm2      4.506 CV     1
 ASSI {  440}
   (( segid "FecA" and resid 56   and name HN  ))
   (( segid "FecA" and resid 56   and name HA1 ))
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.11000E+01 volume  0.21045E-02 ppm1      8.906 ppm2      3.834 CV     1
 ASSI {  441}
   (( segid "FecA" and resid 56   and name HN  ))
   (( segid "FecA" and resid 56   and name HA2 ))
      2.600     0.800     0.800 peak   441 spectrum    1 weight  0.11000E+01 volume  0.43496E-02 ppm1      8.904 ppm2      4.393 CV     1
 ASSI {  442}
   (( segid "FecA" and resid 56   and name HN  ))
   (( segid "FecA" and resid 55   and name HB2 ))
      5.000     3.100     1.000 peak   442 spectrum    1 weight  0.11000E+01 volume  0.78610E-03 ppm1      8.907 ppm2      2.860 CV     1
 ASSI {  443}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 62   and name HN  ))
      3.100     1.200     1.200 peak   443 spectrum    1 weight  0.11000E+01 volume  0.14998E-02 ppm1      9.134 ppm2      8.777 CV     1
 ASSI {  445}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 69   and name HA  ))
      2.200     0.600     0.600 peak   445 spectrum    1 weight  0.11000E+01 volume  0.65553E-02 ppm1      9.134 ppm2      5.064 CV     1
 ASSI {  446}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 70   and name HB  ))
      3.600     1.600     1.600 peak   446 spectrum    1 weight  0.11000E+01 volume  0.91990E-03 ppm1      9.135 ppm2      4.140 CV     1
 ASSI {  447}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 63   and name HA  ))
      4.200     2.200     1.800 peak   447 spectrum    1 weight  0.11000E+01 volume  0.58925E-03 ppm1      9.134 ppm2      3.982 CV     1
 ASSI {  448}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 61   and name HA  ))
      4.700     2.800     1.300 peak   448 spectrum    1 weight  0.11000E+01 volume  0.42429E-03 ppm1      9.133 ppm2      4.800 CV     1
 ASSI {  449}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 69   and name HB2 ))
      3.500     1.500     1.500 peak   449 spectrum    1 weight  0.11000E+01 volume  0.17649E-02 ppm1      9.133 ppm2      3.051 CV     1
 ASSI {  450}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 69   and name HB1 ))
      3.000     1.100     1.100 peak   450 spectrum    1 weight  0.11000E+01 volume  0.12110E-02 ppm1      9.134 ppm2      2.816 CV     1
 ASSI {  451}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 62   and name HB2 ))
      4.000     2.000     2.000 peak   451 spectrum    1 weight  0.11000E+01 volume  0.61831E-03 ppm1      9.136 ppm2      1.680 CV     1
 ASSI {  452}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 62   and name HB1 ))
      3.800     1.800     1.800 peak   452 spectrum    1 weight  0.11000E+01 volume  0.87223E-03 ppm1      9.134 ppm2      1.544 CV     1
 ASSI {  453}
   (( segid "FecA" and resid 70   and name HN  ))
   (( segid "FecA" and resid 62   and name HG2 ))
      3.500     3.500     2.500 peak   453 spectrum    1 weight  0.11000E+01 volume  0.19219E-02 ppm1      9.133 ppm2      1.348 CV     1
 ASSI {  454}
   (( segid "FecA" and resid 70   and name HN  ))
   (  segid "FecA" and resid 70   and name HG2%)
      2.800     2.800     3.200 peak   454 spectrum    1 weight  0.11000E+01 volume  0.31947E-02 ppm1      9.134 ppm2      1.189 CV     1
 ASSI {  455}
   (( segid "FecA" and resid 70   and name HN  ))
   (  segid "FecA" and resid 61   and name HG2%)
      3.200     3.200     2.800 peak   455 spectrum    1 weight  0.11000E+01 volume  0.19481E-02 ppm1      9.135 ppm2      0.846 CV     1
 ASSI {  458}
   (( segid "FecA" and resid 14   and name HN  ))
   (( segid "FecA" and resid 13   and name HA  ))
      3.200     1.300     1.300 peak   458 spectrum    1 weight  0.11000E+01 volume  0.23703E-02 ppm1      8.612 ppm2      4.061 CV     1
 ASSI {  459}
   (( segid "FecA" and resid 14   and name HN  ))
   (( segid "FecA" and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   459 spectrum    1 weight  0.11000E+01 volume  0.24735E-02 ppm1      8.611 ppm2      3.893 CV     1
 ASSI {  460}
   (( segid "FecA" and resid 14   and name HN  ))
   (( segid "FecA" and resid 14   and name HB2 ))
      2.200     0.600     0.600 peak   460 spectrum    1 weight  0.11000E+01 volume  0.74084E-02 ppm1      8.612 ppm2      1.958 CV     1
 ASSI {  461}
   (( segid "FecA" and resid 14   and name HN  ))
   (( segid "FecA" and resid 14   and name HG  ))
      2.000     0.500     0.500 peak   461 spectrum    1 weight  0.11000E+01 volume  0.83864E-02 ppm1      8.612 ppm2      1.830 CV     1
 ASSI {  462}
   (( segid "FecA" and resid 14   and name HN  ))
   (( segid "FecA" and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   462 spectrum    1 weight  0.11000E+01 volume  0.56888E-02 ppm1      8.612 ppm2      1.336 CV     1
 ASSI {  463}
   (( segid "FecA" and resid 14   and name HN  ))
   (  segid "FecA" and resid 10   and name HD1%)
      3.100     1.200     1.200 peak   463 spectrum    1 weight  0.11000E+01 volume  0.37209E-02 ppm1      8.612 ppm2      0.886 CV     1
 ASSI {  464}
   (( segid "FecA" and resid 14   and name HN  ))
   (  segid "FecA" and resid 14   and name HD1%)
      3.300     1.400     1.400 peak   464 spectrum    1 weight  0.11000E+01 volume  0.41783E-02 ppm1      8.612 ppm2      0.736 CV     1
 ASSI {  465}
   (( segid "FecA" and resid 14   and name HN  ))
   (( segid "FecA" and resid 15   and name HB2 ))
      6.000     5.000     0.000 peak   465 spectrum    1 weight  0.11000E+01 volume  0.10769E-03 ppm1      8.612 ppm2      2.915 CV     1
 ASSI {  466}
   (( segid "FecA" and resid 14   and name HN  ))
   (( segid "FecA" and resid 15   and name HB1 ))
      6.000     5.000     0.000 peak   466 spectrum    1 weight  0.11000E+01 volume  0.94361E-04 ppm1      8.611 ppm2      2.734 CV     1
 ASSI {  467}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 49   and name HN  ))
      4.800     2.900     1.200 peak   467 spectrum    1 weight  0.11000E+01 volume  0.25595E-03 ppm1      7.798 ppm2      8.975 CV     1
 ASSI {  469}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   469 spectrum    1 weight  0.11000E+01 volume  0.79027E-03 ppm1      7.799 ppm2      8.243 CV     1
 ASSI {  470}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 48   and name HA  ))
      3.300     1.400     1.400 peak   470 spectrum    1 weight  0.11000E+01 volume  0.14046E-02 ppm1      7.798 ppm2      4.266 CV     1
 ASSI {  471}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   471 spectrum    1 weight  0.11000E+01 volume  0.38798E-02 ppm1      7.800 ppm2      3.793 CV     1
 ASSI {  472}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 47   and name HA  ))
      4.100     2.100     1.900 peak   472 spectrum    1 weight  0.11000E+01 volume  0.35446E-03 ppm1      7.799 ppm2      3.265 CV     1
 ASSI {  473}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 51   and name HG2 ))
      3.900     1.900     1.900 peak   473 spectrum    1 weight  0.11000E+01 volume  0.31390E-02 ppm1      7.800 ppm2      2.500 CV     1
 ASSI {  474}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 51   and name HB2 ))
      2.300     0.700     0.700 peak   474 spectrum    1 weight  0.11000E+01 volume  0.67426E-02 ppm1      7.800 ppm2      2.193 CV     1
 ASSI {  475}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 51   and name HB1 ))
      2.400     0.700     0.700 peak   475 spectrum    1 weight  0.11000E+01 volume  0.78146E-02 ppm1      7.800 ppm2      2.081 CV     1
 ASSI {  476}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   476 spectrum    1 weight  0.11000E+01 volume  0.26500E-02 ppm1      7.800 ppm2      1.652 CV     1
 ASSI {  477}
   (( segid "FecA" and resid 51   and name HN  ))
   (( segid "FecA" and resid 50   and name HB1 ))
      3.400     1.500     1.500 peak   477 spectrum    1 weight  0.11000E+01 volume  0.25790E-02 ppm1      7.800 ppm2      0.922 CV     1
 ASSI {  478}
   (( segid "FecA" and resid 51   and name HN  ))
   (  segid "FecA" and resid 50   and name HD2%)
      4.900     3.000     1.100 peak   478 spectrum    1 weight  0.11000E+01 volume  0.70321E-03 ppm1      7.800 ppm2      0.634 CV     1
 ASSI {  479}
   (( segid "FecA" and resid 51   and name HN  ))
   (  segid "FecA" and resid 50   and name HD1%)
      5.600     3.900     0.400 peak   479 spectrum    1 weight  0.11000E+01 volume  0.24648E-03 ppm1      7.802 ppm2     -0.221 CV     1
 ASSI {  480}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 24   and name HN  ))
      4.600     2.700     1.400 peak   480 spectrum    1 weight  0.11000E+01 volume  0.53727E-03 ppm1      7.236 ppm2      8.546 CV     1
 ASSI {  481}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 21   and name HN  ))
      4.700     2.800     1.300 peak   481 spectrum    1 weight  0.11000E+01 volume  0.81816E-03 ppm1      7.235 ppm2      8.122 CV     1
 ASSI {  482}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 22   and name HN  ))
      2.900     1.100     1.100 peak   482 spectrum    1 weight  0.11000E+01 volume  0.32299E-02 ppm1      7.238 ppm2      7.863 CV     1
 ASSI {  483}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 67   and name HD21))
      4.600     2.700     1.400 peak   483 spectrum    1 weight  0.11000E+01 volume  0.54463E-03 ppm1      7.238 ppm2      7.695 CV     1
 ASSI {  484}
   (( segid "FecA" and resid 23   and name HN  ))
   (  segid "FecA" and resid 23   and name HD% )
      3.400     1.500     1.500 peak   484 spectrum    1 weight  0.11000E+01 volume  0.98665E-03 ppm1      7.243 ppm2      6.852 CV     1
 ASSI {  485}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   485 spectrum    1 weight  0.11000E+01 volume  0.17257E-02 ppm1      7.237 ppm2      5.312 CV     1
 ASSI {  486}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 22   and name HA2 ))
      2.900     1.100     1.100 peak   486 spectrum    1 weight  0.11000E+01 volume  0.18432E-02 ppm1      7.237 ppm2      4.034 CV     1
 ASSI {  487}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 22   and name HA1 ))
      3.600     1.600     1.600 peak   487 spectrum    1 weight  0.11000E+01 volume  0.32875E-02 ppm1      7.238 ppm2      3.876 CV     1
 ASSI {  488}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 21   and name HB1 ))
      4.200     2.200     1.800 peak   488 spectrum    1 weight  0.11000E+01 volume  0.57797E-03 ppm1      7.238 ppm2      3.669 CV     1
 ASSI {  489}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 23   and name HB2 ))
      3.700     1.700     1.700 peak   489 spectrum    1 weight  0.11000E+01 volume  0.11672E-02 ppm1      7.238 ppm2      3.416 CV     1
 ASSI {  490}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 23   and name HB1 ))
      3.500     1.500     1.500 peak   490 spectrum    1 weight  0.11000E+01 volume  0.11583E-02 ppm1      7.237 ppm2      3.007 CV     1
 ASSI {  491}
   (( segid "FecA" and resid 23   and name HN  ))
   (( segid "FecA" and resid 18   and name HA  ))
      3.300     1.300     1.300 peak   491 spectrum    1 weight  0.11000E+01 volume  0.13166E-02 ppm1      7.237 ppm2      2.136 CV     1
 ASSI {  492}
   (( segid "FecA" and resid 23   and name HN  ))
   (  segid "FecA" and resid 18   and name HB% )
      3.700     1.700     1.700 peak   492 spectrum    1 weight  0.11000E+01 volume  0.10287E-02 ppm1      7.238 ppm2      0.998 CV     1
 ASSI {  493}
   (( segid "FecA" and resid 23   and name HN  ))
   (  segid "FecA" and resid 25   and name HD1%)
      5.300     3.500     0.700 peak   493 spectrum    1 weight  0.11000E+01 volume  0.22834E-03 ppm1      7.238 ppm2      0.882 CV     1
 ASSI {  494}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   494 spectrum    1 weight  0.11000E+01 volume  0.32646E-02 ppm1      7.665 ppm2      8.217 CV     1
 ASSI {  496}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   496 spectrum    1 weight  0.11000E+01 volume  0.23230E-02 ppm1      7.666 ppm2      4.147 CV     1
 ASSI {  497}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   497 spectrum    1 weight  0.11000E+01 volume  0.21256E-02 ppm1      7.665 ppm2      3.789 CV     1
 ASSI {  498}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 55   and name HB2 ))
      5.300     3.500     0.700 peak   498 spectrum    1 weight  0.11000E+01 volume  0.24826E-03 ppm1      7.663 ppm2      2.902 CV     1
 ASSI {  499}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 55   and name HB1 ))
      5.600     3.900     0.400 peak   499 spectrum    1 weight  0.11000E+01 volume  0.28056E-03 ppm1      7.663 ppm2      2.782 CV     1
 ASSI {  500}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 54   and name HB2 ))
      2.000     0.500     0.500 peak   500 spectrum    1 weight  0.11000E+01 volume  0.10917E-01 ppm1      7.666 ppm2      1.800 CV     1
 ASSI {  501}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 54   and name HB1 ))
      3.600     1.600     1.600 peak   501 spectrum    1 weight  0.11000E+01 volume  0.30711E-02 ppm1      7.666 ppm2      1.607 CV     1
 ASSI {  502}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 53   and name HG  ))
      4.900     3.000     1.100 peak   502 spectrum    1 weight  0.11000E+01 volume  0.37477E-03 ppm1      7.664 ppm2      1.358 CV     1
 ASSI {  503}
   (( segid "FecA" and resid 54   and name HN  ))
   (( segid "FecA" and resid 53   and name HB1 ))
      3.600     1.600     1.600 peak   503 spectrum    1 weight  0.11000E+01 volume  0.12268E-02 ppm1      7.667 ppm2      1.094 CV     1
 ASSI {  504}
   (( segid "FecA" and resid 54   and name HN  ))
   (  segid "FecA" and resid 54   and name HD2%)
      3.300     1.300     1.300 peak   504 spectrum    1 weight  0.11000E+01 volume  0.26666E-02 ppm1      7.666 ppm2      0.830 CV     1
 ASSI {  505}
   (( segid "FecA" and resid 54   and name HN  ))
   (  segid "FecA" and resid 54   and name HD1%)
      3.600     1.600     1.600 peak   505 spectrum    1 weight  0.11000E+01 volume  0.19693E-02 ppm1      7.666 ppm2      0.637 CV     1
 ASSI {  507}
   (( segid "FecA" and resid 48   and name HN  ))
   (( segid "FecA" and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   507 spectrum    1 weight  0.11000E+01 volume  0.38017E-02 ppm1      8.145 ppm2      8.360 CV     1
 ASSI {  508}
   (( segid "FecA" and resid 48   and name HN  ))
   (( segid "FecA" and resid 48   and name HA  ))
      2.900     1.000     1.000 peak   508 spectrum    1 weight  0.11000E+01 volume  0.29266E-02 ppm1      8.144 ppm2      4.265 CV     1
 ASSI {  509}
   (( segid "FecA" and resid 48   and name HN  ))
   (( segid "FecA" and resid 48   and name HB1 ))
      2.600     0.900     0.900 peak   509 spectrum    1 weight  0.11000E+01 volume  0.55035E-02 ppm1      8.144 ppm2      4.070 CV     1
 ASSI {  510}
   (( segid "FecA" and resid 48   and name HN  ))
   (( segid "FecA" and resid 46   and name HA  ))
      4.200     4.200     1.800 peak   510 spectrum    1 weight  0.11000E+01 volume  0.52964E-03 ppm1      8.147 ppm2      3.704 CV     1
 ASSI {  511}
   (( segid "FecA" and resid 48   and name HN  ))
   (( segid "FecA" and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   511 spectrum    1 weight  0.11000E+01 volume  0.90874E-03 ppm1      8.145 ppm2      3.265 CV     1
 ASSI {  512}
   (( segid "FecA" and resid 48   and name HN  ))
   (( segid "FecA" and resid 45   and name HB2 ))
      3.700     1.700     1.700 peak   512 spectrum    1 weight  0.11000E+01 volume  0.46703E-03 ppm1      8.146 ppm2      3.027 CV     1
 ASSI {  513}
   (( segid "FecA" and resid 48   and name HN  ))
   (( segid "FecA" and resid 47   and name HB2 ))
      2.900     1.000     1.000 peak   513 spectrum    1 weight  0.11000E+01 volume  0.30300E-02 ppm1      8.144 ppm2      2.088 CV     1
 ASSI {  514}
   (( segid "FecA" and resid 48   and name HN  ))
   (( segid "FecA" and resid 47   and name HB1 ))
      3.000     1.100     1.100 peak   514 spectrum    1 weight  0.11000E+01 volume  0.28379E-02 ppm1      8.145 ppm2      1.980 CV     1
 ASSI {  515}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   515 spectrum    1 weight  0.11000E+01 volume  0.41743E-02 ppm1      8.579 ppm2      8.876 CV     1
 ASSI {  516}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 59   and name HN  ))
      3.900     1.900     1.900 peak   516 spectrum    1 weight  0.11000E+01 volume  0.82238E-03 ppm1      8.580 ppm2      8.074 CV     1
 ASSI {  517}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 57   and name HG  ))
      2.800     1.000     1.000 peak   517 spectrum    1 weight  0.11000E+01 volume  0.38190E-02 ppm1      8.579 ppm2      6.255 CV     1
 ASSI {  518}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 55   and name HA  ))
      4.000     2.000     2.000 peak   518 spectrum    1 weight  0.11000E+01 volume  0.24999E-02 ppm1      8.580 ppm2      4.498 CV     1
 ASSI {  519}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 57   and name HA  ))
      2.800     1.000     1.000 peak   519 spectrum    1 weight  0.11000E+01 volume  0.40080E-02 ppm1      8.580 ppm2      4.364 CV     1
 ASSI {  520}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak   520 spectrum    1 weight  0.11000E+01 volume  0.40537E-02 ppm1      8.580 ppm2      4.150 CV     1
 ASSI {  521}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 57   and name HB1 ))
      2.800     1.000     1.000 peak   521 spectrum    1 weight  0.11000E+01 volume  0.32378E-02 ppm1      8.580 ppm2      3.800 CV     1
 ASSI {  522}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 54   and name HB2 ))
      4.700     2.700     1.300 peak   522 spectrum    1 weight  0.11000E+01 volume  0.50865E-03 ppm1      8.582 ppm2      1.799 CV     1
 ASSI {  523}
   (( segid "FecA" and resid 57   and name HN  ))
   (( segid "FecA" and resid 54   and name HB1 ))
      3.700     1.700     1.700 peak   523 spectrum    1 weight  0.11000E+01 volume  0.69822E-03 ppm1      8.576 ppm2      1.593 CV     1
 ASSI {  524}
   (( segid "FecA" and resid 57   and name HN  ))
   (  segid "FecA" and resid 54   and name HD2%)
      4.100     2.100     1.900 peak   524 spectrum    1 weight  0.11000E+01 volume  0.88256E-03 ppm1      8.581 ppm2      0.823 CV     1
 ASSI {  526}
   (( segid "FecA" and resid 34   and name HN  ))
   (( segid "FecA" and resid 34   and name HA2 ))
      2.800     1.000     1.000 peak   526 spectrum    1 weight  0.11000E+01 volume  0.23283E-02 ppm1      9.135 ppm2      4.147 CV     1
 ASSI {  527}
   (( segid "FecA" and resid 34   and name HN  ))
   (( segid "FecA" and resid 34   and name HA1 ))
      3.900     1.900     1.900 peak   527 spectrum    1 weight  0.11000E+01 volume  0.86565E-03 ppm1      9.136 ppm2      3.798 CV     1
 ASSI {  528}
   (( segid "FecA" and resid 34   and name HN  ))
   (( segid "FecA" and resid 33   and name HG2 ))
      5.400     3.600     0.600 peak   528 spectrum    1 weight  0.11000E+01 volume  0.12811E-03 ppm1      9.139 ppm2      1.692 CV     1
 ASSI {  529}
   (( segid "FecA" and resid 38   and name HD22))
   (( segid "FecA" and resid 38   and name HD21))
      1.700     0.400     0.500 peak   529 spectrum    1 weight  0.11000E+01 volume  0.12306E-01 ppm1      6.971 ppm2      7.733 CV     1
 ASSI {  531}
   (( segid "FecA" and resid 38   and name HD21))
   (( segid "FecA" and resid 36   and name HA  ))
      3.500     3.500     2.500 peak   531 spectrum    1 weight  0.11000E+01 volume  0.32153E-03 ppm1      7.730 ppm2      4.776 CV     1
 ASSI {  532}
   (( segid "FecA" and resid 38   and name HD21))
   (( segid "FecA" and resid 38   and name HB1 ))
      3.500     1.600     1.600 peak   532 spectrum    1 weight  0.11000E+01 volume  0.21093E-02 ppm1      7.729 ppm2      2.893 CV     1
 ASSI {  533}
   (( segid "FecA" and resid 38   and name HD22))
   (( segid "FecA" and resid 38   and name HB1 ))
      4.400     2.400     1.600 peak   533 spectrum    1 weight  0.11000E+01 volume  0.11250E-02 ppm1      6.973 ppm2      2.903 CV     1
 ASSI {  534}
   (( segid "FecA" and resid 38   and name HD21))
   (( segid "FecA" and resid 38   and name HN  ))
      4.100     4.100     1.900 peak   534 spectrum    1 weight  0.11000E+01 volume  0.65413E-04 ppm1      7.730 ppm2      9.032 CV     1
 ASSI {  535}
   (( segid "FecA" and resid 52   and name HE21))
   (( segid "FecA" and resid 52   and name HE22))
      1.800     0.400     0.400 peak   535 spectrum    1 weight  0.11000E+01 volume  0.14682E-01 ppm1      7.428 ppm2      6.787 CV     1
 ASSI {  538}
   (( segid "FecA" and resid 52   and name HE21))
   (( segid "FecA" and resid 52   and name HG2 ))
      3.500     1.600     1.600 peak   538 spectrum    1 weight  0.11000E+01 volume  0.52443E-03 ppm1      7.429 ppm2      2.261 CV     1
 ASSI {  539}
   (( segid "FecA" and resid 52   and name HE21))
   (( segid "FecA" and resid 52   and name HG1 ))
      3.300     1.400     1.400 peak   539 spectrum    1 weight  0.11000E+01 volume  0.13444E-02 ppm1      7.427 ppm2      2.127 CV     1
 ASSI {  540}
   (( segid "FecA" and resid 52   and name HE22))
   (( segid "FecA" and resid 55   and name HB2 ))
      6.000     5.200     0.000 peak   540 spectrum    1 weight  0.11000E+01 volume  0.28143E-04 ppm1      6.785 ppm2      2.878 CV     1
 ASSI {  541}
   (( segid "FecA" and resid 52   and name HE22))
   (( segid "FecA" and resid 52   and name HG1 ))
      5.000     3.100     1.000 peak   541 spectrum    1 weight  0.11000E+01 volume  0.39646E-03 ppm1      6.784 ppm2      2.117 CV     1
 ASSI {  543}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 29   and name HN  ))
      3.200     1.300     1.300 peak   543 spectrum    1 weight  0.11000E+01 volume  0.27089E-02 ppm1      8.659 ppm2      8.849 CV     1
 ASSI {  544}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 28   and name HA  ))
      4.500     2.600     1.500 peak   544 spectrum    1 weight  0.11000E+01 volume  0.52688E-03 ppm1      8.658 ppm2      4.630 CV     1
 ASSI {  545}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 30   and name HB2 ))
      2.800     2.800     3.200 peak   545 spectrum    1 weight  0.11000E+01 volume  0.56827E-02 ppm1      8.658 ppm2      4.120 CV     1
 OR {  545}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 30   and name HB1 ))
 ASSI {  546}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 30   and name HA  ))
      2.600     2.600     3.400 peak   546 spectrum    1 weight  0.11000E+01 volume  0.63745E-02 ppm1      8.658 ppm2      3.943 CV     1
 ASSI {  547}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 28   and name HB2 ))
      4.500     2.500     1.500 peak   547 spectrum    1 weight  0.11000E+01 volume  0.48684E-03 ppm1      8.659 ppm2      2.801 CV     1
 ASSI {  548}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 31   and name HB2 ))
      5.100     3.300     0.900 peak   548 spectrum    1 weight  0.11000E+01 volume  0.40371E-03 ppm1      8.659 ppm2      1.928 CV     1
 ASSI {  549}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 31   and name HG  ))
      4.800     2.900     1.200 peak   549 spectrum    1 weight  0.11000E+01 volume  0.35092E-03 ppm1      8.654 ppm2      1.705 CV     1
 ASSI {  550}
   (( segid "FecA" and resid 30   and name HN  ))
   (( segid "FecA" and resid 31   and name HB1 ))
      4.400     2.500     1.600 peak   550 spectrum    1 weight  0.11000E+01 volume  0.21517E-02 ppm1      8.659 ppm2      1.481 CV     1
 ASSI {  551}
   (( segid "FecA" and resid 30   and name HN  ))
   (  segid "FecA" and resid 31   and name HD1%)
      6.000     6.000     0.000 peak   551 spectrum    1 weight  0.11000E+01 volume  0.17574E-03 ppm1      8.659 ppm2      0.966 CV     1
 ASSI {  552}
   (( segid "FecA" and resid 30   and name HN  ))
   (  segid "FecA" and resid 31   and name HD2%)
      5.300     5.300     0.700 peak   552 spectrum    1 weight  0.11000E+01 volume  0.33666E-03 ppm1      8.658 ppm2      0.812 CV     1
 ASSI {  553}
   (( segid "FecA" and resid 49   and name HN  ))
   (( segid "FecA" and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   553 spectrum    1 weight  0.11000E+01 volume  0.34301E-02 ppm1      8.965 ppm2      8.400 CV     1
 ASSI {  554}
   (( segid "FecA" and resid 49   and name HN  ))
   (( segid "FecA" and resid 48   and name HN  ))
      2.500     0.800     0.800 peak   554 spectrum    1 weight  0.11000E+01 volume  0.47171E-02 ppm1      8.967 ppm2      8.148 CV     1
 ASSI {  555}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 8    and name HN  ))
      3.100     1.200     1.200 peak   555 spectrum    1 weight  0.11000E+01 volume  0.21323E-02 ppm1      8.951 ppm2      8.042 CV     1
 ASSI {  556}
   (( segid "FecA" and resid 49   and name HN  ))
   (  segid "FecA" and resid 17   and name HE% )
      4.200     2.200     1.800 peak   556 spectrum    1 weight  0.11000E+01 volume  0.63334E-03 ppm1      8.964 ppm2      6.707 CV     1
 ASSI {  557}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 37   and name HA  ))
      2.800     0.900     0.900 peak   557 spectrum    1 weight  0.11000E+01 volume  0.29304E-02 ppm1      8.950 ppm2      4.930 CV     1
 ASSI {  558}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 36   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.11000E+01 volume  0.71988E-02 ppm1      8.948 ppm2      4.744 CV     1
 ASSI {  559}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 9    and name HA  ))
      3.700     1.700     1.700 peak   559 spectrum    1 weight  0.11000E+01 volume  0.17105E-02 ppm1      8.946 ppm2      4.370 CV     1
 ASSI {  560}
   (( segid "FecA" and resid 49   and name HN  ))
   (( segid "FecA" and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   560 spectrum    1 weight  0.11000E+01 volume  0.31911E-02 ppm1      8.963 ppm2      4.254 CV     1
 ASSI {  561}
   (( segid "FecA" and resid 49   and name HN  ))
   (( segid "FecA" and resid 48   and name HB2 ))
      2.900     1.100     1.100 peak   561 spectrum    1 weight  0.11000E+01 volume  0.37074E-02 ppm1      8.965 ppm2      4.074 CV     1
 OR {  561}
   (( segid "FecA" and resid 49   and name HN  ))
   (( segid "FecA" and resid 48   and name HB1 ))
 ASSI {  562}
   (( segid "FecA" and resid 49   and name HN  ))
   (( segid "FecA" and resid 49   and name HA2 ))
      2.600     0.900     0.900 peak   562 spectrum    1 weight  0.11000E+01 volume  0.74101E-02 ppm1      8.966 ppm2      3.697 CV     1
 ASSI {  563}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 37   and name HB1 ))
      2.400     0.700     0.700 peak   563 spectrum    1 weight  0.11000E+01 volume  0.48879E-02 ppm1      8.955 ppm2      3.224 CV     1
 ASSI {  564}
   (( segid "FecA" and resid 49   and name HN  ))
   (( segid "FecA" and resid 49   and name HA1 ))
      2.500     0.800     0.800 peak   564 spectrum    1 weight  0.11000E+01 volume  0.36937E-02 ppm1      8.966 ppm2      3.035 CV     1
 ASSI {  565}
   (( segid "FecA" and resid 49   and name HN  ))
   (( segid "FecA" and resid 44   and name HB1 ))
      3.000     1.200     1.200 peak   565 spectrum    1 weight  0.11000E+01 volume  0.22799E-02 ppm1      8.965 ppm2      2.371 CV     1
 ASSI {  566}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak   566 spectrum    1 weight  0.11000E+01 volume  0.33177E-02 ppm1      8.949 ppm2      2.138 CV     1
 ASSI {  567}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 36   and name HB1 ))
      3.500     1.500     1.500 peak   567 spectrum    1 weight  0.11000E+01 volume  0.23544E-02 ppm1      8.947 ppm2      1.895 CV     1
 ASSI {  568}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 35   and name HG2 ))
      3.100     3.100     2.900 peak   568 spectrum    1 weight  0.11000E+01 volume  0.62383E-03 ppm1      8.951 ppm2      1.367 CV     1
 OR {  568}
   (( segid "FecA" and resid 37   and name HN  ))
   (( segid "FecA" and resid 35   and name HG1 ))
 ASSI {  569}
   (( segid "FecA" and resid 37   and name HN  ))
   (  segid "FecA" and resid 10   and name HD1%)
      4.400     2.500     1.600 peak   569 spectrum    1 weight  0.10000E+01 volume  0.85373E-03 ppm1      8.955 ppm2      0.891 CV     1
 ASSI {  570}
   (( segid "FecA" and resid 49   and name HN  ))
   (  segid "FecA" and resid 40   and name HD2%)
      4.900     3.000     1.100 peak   570 spectrum    1 weight  0.11000E+01 volume  0.57326E-03 ppm1      8.967 ppm2     -0.035 CV     1
 ASSI {  572}
   (( segid "FecA" and resid 42   and name HN  ))
   (  segid "FecA" and resid 44   and name HE% )
      6.000     4.700     0.000 peak   572 spectrum    1 weight  0.11000E+01 volume  0.55628E-04 ppm1      8.419 ppm2      6.502 CV     1
 ASSI {  573}
   (( segid "FecA" and resid 42   and name HN  ))
   (( segid "FecA" and resid 41   and name HA  ))
      2.400     0.700     0.700 peak   573 spectrum    1 weight  0.11000E+01 volume  0.55594E-02 ppm1      8.416 ppm2      5.455 CV     1
 ASSI {  574}
   (( segid "FecA" and resid 42   and name HN  ))
   (( segid "FecA" and resid 4    and name HA  ))
      3.300     3.300     2.700 peak   574 spectrum    1 weight  0.11000E+01 volume  0.43143E-03 ppm1      8.416 ppm2      5.174 CV     1
 ASSI {  575}
   (( segid "FecA" and resid 42   and name HN  ))
   (( segid "FecA" and resid 42   and name HA2 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.11000E+01 volume  0.19272E-02 ppm1      8.415 ppm2      4.349 CV     1
 ASSI {  576}
   (( segid "FecA" and resid 42   and name HN  ))
   (( segid "FecA" and resid 42   and name HA1 ))
      2.900     1.100     1.100 peak   576 spectrum    1 weight  0.11000E+01 volume  0.20864E-02 ppm1      8.417 ppm2      3.778 CV     1
 ASSI {  577}
   (( segid "FecA" and resid 42   and name HN  ))
   (( segid "FecA" and resid 44   and name HB2 ))
      4.700     4.700     1.300 peak   577 spectrum    1 weight  0.11000E+01 volume  0.80201E-03 ppm1      8.415 ppm2      3.203 CV     1
 ASSI {  578}
   (( segid "FecA" and resid 42   and name HN  ))
   (( segid "FecA" and resid 2    and name HB1 ))
      4.300     4.300     1.700 peak   578 spectrum    1 weight  0.11000E+01 volume  0.50497E-03 ppm1      8.420 ppm2      1.961 CV     1
 ASSI {  579}
   (( segid "FecA" and resid 42   and name HN  ))
   (( segid "FecA" and resid 40   and name HG  ))
      3.300     1.400     1.400 peak   579 spectrum    1 weight  0.11000E+01 volume  0.10119E-02 ppm1      8.417 ppm2      0.840 CV     1
 ASSI {  581}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 19   and name HN  ))
      3.300     3.300     2.700 peak   581 spectrum    1 weight  0.11000E+01 volume  0.42657E-03 ppm1      8.127 ppm2      7.579 CV     1
 ASSI {  582}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 20   and name HD2 ))
      3.600     1.600     1.600 peak   582 spectrum    1 weight  0.11000E+01 volume  0.27241E-03 ppm1      8.122 ppm2      7.131 CV     1
 ASSI {  583}
   (( segid "FecA" and resid 21   and name HN  ))
   (  segid "FecA" and resid 23   and name HD% )
      4.100     2.100     1.900 peak   583 spectrum    1 weight  0.11000E+01 volume  0.58143E-03 ppm1      8.126 ppm2      6.879 CV     1
 ASSI {  584}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   584 spectrum    1 weight  0.11000E+01 volume  0.23744E-02 ppm1      8.126 ppm2      4.396 CV     1
 ASSI {  585}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 20   and name HA  ))
      3.700     1.700     1.700 peak   585 spectrum    1 weight  0.11000E+01 volume  0.10543E-02 ppm1      8.126 ppm2      4.272 CV     1
 ASSI {  586}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 22   and name HA2 ))
      5.500     3.800     0.500 peak   586 spectrum    1 weight  0.11000E+01 volume  0.44620E-03 ppm1      8.126 ppm2      4.052 CV     1
 ASSI {  587}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   587 spectrum    1 weight  0.11000E+01 volume  0.25822E-02 ppm1      8.127 ppm2      3.874 CV     1
 ASSI {  588}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 21   and name HB1 ))
      2.900     1.000     1.000 peak   588 spectrum    1 weight  0.11000E+01 volume  0.29917E-02 ppm1      8.127 ppm2      3.658 CV     1
 ASSI {  589}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 20   and name HB2 ))
      2.500     0.800     0.800 peak   589 spectrum    1 weight  0.11000E+01 volume  0.40372E-02 ppm1      8.127 ppm2      3.295 CV     1
 OR {  589}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 20   and name HB1 ))
 ASSI {  590}
   (( segid "FecA" and resid 21   and name HN  ))
   (( segid "FecA" and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   590 spectrum    1 weight  0.11000E+01 volume  0.53251E-03 ppm1      8.126 ppm2      2.134 CV     1
 ASSI {  591}
   (( segid "FecA" and resid 21   and name HN  ))
   (  segid "FecA" and resid 19   and name HB% )
      4.700     4.700     1.300 peak   591 spectrum    1 weight  0.11000E+01 volume  0.51724E-04 ppm1      8.124 ppm2      1.478 CV     1
 ASSI {  592}
   (( segid "FecA" and resid 60   and name HE21))
   (( segid "FecA" and resid 60   and name HE22))
      1.800     0.400     0.400 peak   592 spectrum    1 weight  0.11000E+01 volume  0.14538E-01 ppm1      7.890 ppm2      6.817 CV     1
 ASSI {  594}
   (( segid "FecA" and resid 60   and name HE21))
   (( segid "FecA" and resid 60   and name HG1 ))
      2.800     1.000     1.000 peak   594 spectrum    1 weight  0.11000E+01 volume  0.29109E-02 ppm1      7.890 ppm2      2.138 CV     1
 ASSI {  595}
   (( segid "FecA" and resid 60   and name HE22))
   (( segid "FecA" and resid 60   and name HG1 ))
      3.800     1.800     1.800 peak   595 spectrum    1 weight  0.11000E+01 volume  0.20117E-02 ppm1      6.813 ppm2      2.134 CV     1
 ASSI {  596}
   (( segid "FecA" and resid 67   and name HD21))
   (( segid "FecA" and resid 67   and name HD22))
      1.800     0.400     0.400 peak   596 spectrum    1 weight  0.11000E+01 volume  0.13180E-01 ppm1      7.671 ppm2      7.124 CV     1
 ASSI {  598}
   (( segid "FecA" and resid 67   and name HD21))
   (( segid "FecA" and resid 23   and name HA  ))
      4.500     2.500     1.500 peak   598 spectrum    1 weight  0.11000E+01 volume  0.33710E-03 ppm1      7.671 ppm2      5.306 CV     1
 ASSI {  599}
   (( segid "FecA" and resid 67   and name HD22))
   (( segid "FecA" and resid 23   and name HA  ))
      4.500     2.500     1.500 peak   599 spectrum    1 weight  0.11000E+01 volume  0.46738E-03 ppm1      7.120 ppm2      5.299 CV     1
 ASSI {  600}
   (( segid "FecA" and resid 67   and name HD21))
   (( segid "FecA" and resid 67   and name HB2 ))
      3.300     1.300     1.300 peak   600 spectrum    1 weight  0.11000E+01 volume  0.17321E-02 ppm1      7.670 ppm2      3.364 CV     1
 ASSI {  601}
   (( segid "FecA" and resid 67   and name HD22))
   (( segid "FecA" and resid 67   and name HB2 ))
      4.600     2.600     1.400 peak   601 spectrum    1 weight  0.11000E+01 volume  0.91866E-03 ppm1      7.122 ppm2      3.365 CV     1
 ASSI {  602}
   (( segid "FecA" and resid 67   and name HD21))
   (( segid "FecA" and resid 23   and name HB1 ))
      5.300     3.500     0.700 peak   602 spectrum    1 weight  0.11000E+01 volume  0.52484E-04 ppm1      7.673 ppm2      3.009 CV     1
 ASSI {  603}
   (( segid "FecA" and resid 67   and name HD22))
   (( segid "FecA" and resid 23   and name HB1 ))
      4.100     2.100     1.900 peak   603 spectrum    1 weight  0.11000E+01 volume  0.31834E-03 ppm1      7.120 ppm2      3.009 CV     1
 ASSI {  604}
   (( segid "FecA" and resid 67   and name HD21))
   (( segid "FecA" and resid 67   and name HB1 ))
      3.400     1.500     1.500 peak   604 spectrum    1 weight  0.11000E+01 volume  0.66123E-03 ppm1      7.670 ppm2      2.661 CV     1
 ASSI {  605}
   (( segid "FecA" and resid 67   and name HD22))
   (( segid "FecA" and resid 67   and name HB1 ))
      5.700     4.000     0.300 peak   605 spectrum    1 weight  0.11000E+01 volume  0.22570E-03 ppm1      7.127 ppm2      2.665 CV     1
 ASSI {  607}
   (( segid "FecA" and resid 15   and name HD22))
   (( segid "FecA" and resid 15   and name HD21))
      1.700     0.300     0.500 peak   607 spectrum    1 weight  0.11000E+01 volume  0.27394E-01 ppm1      6.902 ppm2      7.535 CV     1
 ASSI {  608}
   (( segid "FecA" and resid 15   and name HD21))
   (( segid "FecA" and resid 12   and name HA  ))
      4.500     2.500     1.500 peak   608 spectrum    1 weight  0.11000E+01 volume  0.32341E-03 ppm1      7.526 ppm2      4.056 CV     1
 ASSI {  609}
   (( segid "FecA" and resid 15   and name HD22))
   (( segid "FecA" and resid 12   and name HA  ))
      4.600     2.600     1.400 peak   609 spectrum    1 weight  0.11000E+01 volume  0.65219E-04 ppm1      6.898 ppm2      4.055 CV     1
 ASSI {  610}
   (( segid "FecA" and resid 15   and name HD21))
   (( segid "FecA" and resid 15   and name HB2 ))
      3.500     1.500     1.500 peak   610 spectrum    1 weight  0.11000E+01 volume  0.77295E-03 ppm1      7.526 ppm2      2.908 CV     1
 ASSI {  611}
   (( segid "FecA" and resid 15   and name HD22))
   (( segid "FecA" and resid 15   and name HB2 ))
      4.600     2.600     1.400 peak   611 spectrum    1 weight  0.11000E+01 volume  0.64121E-03 ppm1      6.904 ppm2      2.897 CV     1
 ASSI {  612}
   (( segid "FecA" and resid 15   and name HD21))
   (( segid "FecA" and resid 15   and name HB1 ))
      4.200     2.200     1.800 peak   612 spectrum    1 weight  0.11000E+01 volume  0.21605E-03 ppm1      7.527 ppm2      2.743 CV     1
 ASSI {  613}
   (( segid "FecA" and resid 15   and name HD22))
   (( segid "FecA" and resid 15   and name HB1 ))
      5.100     3.200     0.900 peak   613 spectrum    1 weight  0.11000E+01 volume  0.34025E-03 ppm1      6.899 ppm2      2.734 CV     1
 ASSI {  615}
   (( segid "FecA" and resid 4    and name HD22))
   (( segid "FecA" and resid 4    and name HD21))
      1.600     0.300     0.600 peak   615 spectrum    1 weight  0.11000E+01 volume  0.31671E-01 ppm1      6.857 ppm2      7.581 CV     1
 ASSI {  616}
   (( segid "FecA" and resid 66   and name HD21))
   (( segid "FecA" and resid 66   and name HB2 ))
      4.300     2.300     1.700 peak   616 spectrum    1 weight  0.11000E+01 volume  0.31219E-03 ppm1      7.592 ppm2      2.868 CV     1
 ASSI {  617}
   (( segid "FecA" and resid 66   and name HD21))
   (( segid "FecA" and resid 66   and name HB1 ))
      3.600     1.600     1.600 peak   617 spectrum    1 weight  0.11000E+01 volume  0.63904E-03 ppm1      7.591 ppm2      2.623 CV     1
 ASSI {  618}
   (( segid "FecA" and resid 4    and name HD21))
   (( segid "FecA" and resid 4    and name HB2 ))
      3.600     1.600     1.600 peak   618 spectrum    1 weight  0.11000E+01 volume  0.54627E-03 ppm1      7.579 ppm2      2.772 CV     1
 ASSI {  619}
   (( segid "FecA" and resid 4    and name HD21))
   (( segid "FecA" and resid 4    and name HB1 ))
      4.000     2.000     2.000 peak   619 spectrum    1 weight  0.11000E+01 volume  0.61890E-03 ppm1      7.578 ppm2      2.546 CV     1
 ASSI {  620}
   (( segid "FecA" and resid 66   and name HD22))
   (( segid "FecA" and resid 66   and name HB1 ))
      5.100     3.300     0.900 peak   620 spectrum    1 weight  0.11000E+01 volume  0.38358E-03 ppm1      6.862 ppm2      2.618 CV     1
 ASSI {  621}
   (( segid "FecA" and resid 4    and name HD22))
   (( segid "FecA" and resid 4    and name HB2 ))
      5.400     3.600     0.600 peak   621 spectrum    1 weight  0.11000E+01 volume  0.28155E-03 ppm1      6.839 ppm2      2.772 CV     1
 ASSI {  622}
   (( segid "FecA" and resid 4    and name HD22))
   (( segid "FecA" and resid 4    and name HB1 ))
      5.500     3.800     0.500 peak   622 spectrum    1 weight  0.11000E+01 volume  0.28201E-03 ppm1      6.833 ppm2      2.545 CV     1
 ASSI {  623}
   (( segid "FecA" and resid 36   and name HE21))
   (( segid "FecA" and resid 36   and name HE22))
      1.800     0.400     0.400 peak   623 spectrum    1 weight  0.11000E+01 volume  0.16363E-01 ppm1      7.229 ppm2      6.706 CV     1
 ASSI {  625}
   (( segid "FecA" and resid 36   and name HE21))
   (( segid "FecA" and resid 36   and name HG1 ))
      3.800     1.900     1.900 peak   625 spectrum    1 weight  0.11000E+01 volume  0.49950E-03 ppm1      7.230 ppm2      2.259 CV     1
 ASSI {  626}
   (( segid "FecA" and resid 36   and name HE22))
   (( segid "FecA" and resid 36   and name HG1 ))
      6.000     6.000     0.000 peak   626 spectrum    1 weight  0.11000E+01 volume  0.39405E-04 ppm1      6.707 ppm2      2.253 CV     1
 ASSI {  627}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 67   and name HN  ))
      3.000     1.100     1.100 peak   627 spectrum    1 weight  0.11000E+01 volume  0.22090E-02 ppm1      7.003 ppm2      8.775 CV     1
 ASSI {  629}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 65   and name HN  ))
      3.400     1.400     1.400 peak   629 spectrum    1 weight  0.11000E+01 volume  0.11281E-02 ppm1      7.011 ppm2      7.604 CV     1
 ASSI {  630}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 68   and name HA  ))
      3.100     1.200     1.200 peak   630 spectrum    1 weight  0.11000E+01 volume  0.16876E-02 ppm1      7.004 ppm2      5.685 CV     1
 ASSI {  631}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 67   and name HA  ))
      3.000     1.100     1.100 peak   631 spectrum    1 weight  0.11000E+01 volume  0.31753E-02 ppm1      7.003 ppm2      4.417 CV     1
 ASSI {  632}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 68   and name HB2 ))
      2.800     1.000     1.000 peak   632 spectrum    1 weight  0.11000E+01 volume  0.39990E-02 ppm1      7.003 ppm2      3.618 CV     1
 OR {  632}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 68   and name HB1 ))
 ASSI {  633}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 67   and name HB2 ))
      4.600     2.700     1.400 peak   633 spectrum    1 weight  0.11000E+01 volume  0.44756E-03 ppm1      7.001 ppm2      3.384 CV     1
 ASSI {  634}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 67   and name HB1 ))
      4.300     2.300     1.700 peak   634 spectrum    1 weight  0.11000E+01 volume  0.55524E-03 ppm1      7.005 ppm2      2.640 CV     1
 ASSI {  635}
   (( segid "FecA" and resid 68   and name HN  ))
   (( segid "FecA" and resid 64   and name HB1 ))
      4.100     2.100     1.900 peak   635 spectrum    1 weight  0.11000E+01 volume  0.39704E-03 ppm1      7.004 ppm2      1.332 CV     1
 ASSI {  636}
   (( segid "FecA" and resid 2    and name HE21))
   (( segid "FecA" and resid 2    and name HE22))
      1.800     0.400     0.400 peak   636 spectrum    1 weight  0.11000E+01 volume  0.19017E-01 ppm1      7.588 ppm2      6.788 CV     1
 ASSI {  639}
   (( segid "FecA" and resid 51   and name HE22))
   (( segid "FecA" and resid 51   and name HE21))
      1.800     0.400     0.400 peak   639 spectrum    1 weight  0.11000E+01 volume  0.18093E-01 ppm1      6.835 ppm2      7.434 CV     1
 ASSI {  640}
   (( segid "FecA" and resid 51   and name HE21))
   (( segid "FecA" and resid 51   and name HG1 ))
      3.800     1.800     1.800 peak   640 spectrum    1 weight  0.11000E+01 volume  0.55162E-03 ppm1      7.431 ppm2      2.432 CV     1
 ASSI {  641}
   (( segid "FecA" and resid 51   and name HE21))
   (( segid "FecA" and resid 51   and name HB2 ))
      3.900     3.900     2.100 peak   641 spectrum    1 weight  0.11000E+01 volume  0.41468E-03 ppm1      7.429 ppm2      2.158 CV     1
 ASSI {  642}
   (( segid "FecA" and resid 16   and name HE21))
   (( segid "FecA" and resid 16   and name HE22))
      1.700     0.300     0.500 peak   642 spectrum    1 weight  0.11000E+01 volume  0.22131E-01 ppm1      7.402 ppm2      6.927 CV     1
 ASSI {  644}
   (( segid "FecA" and resid 16   and name HE21))
   (( segid "FecA" and resid 17   and name HB1 ))
      6.000     6.000     0.000 peak   644 spectrum    1 weight  0.11000E+01 volume  0.49362E-04 ppm1      7.403 ppm2      2.990 CV     1
 ASSI {  645}
   (( segid "FecA" and resid 16   and name HE21))
   (( segid "FecA" and resid 16   and name HG2 ))
      4.500     2.500     1.500 peak   645 spectrum    1 weight  0.11000E+01 volume  0.27130E-03 ppm1      7.403 ppm2      2.676 CV     1
 ASSI {  646}
   (( segid "FecA" and resid 16   and name HE21))
   (( segid "FecA" and resid 16   and name HG1 ))
      3.400     1.500     1.500 peak   646 spectrum    1 weight  0.11000E+01 volume  0.73450E-03 ppm1      7.404 ppm2      2.356 CV     1
 ASSI {  647}
   (( segid "FecA" and resid 24   and name HN  ))
   (  segid "FecA" and resid 23   and name HD% )
      3.700     1.700     1.700 peak   647 spectrum    1 weight  0.11000E+01 volume  0.21094E-02 ppm1      8.548 ppm2      6.873 CV     1
 ASSI {  648}
   (( segid "FecA" and resid 24   and name HN  ))
   (( segid "FecA" and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   648 spectrum    1 weight  0.11000E+01 volume  0.20831E-02 ppm1      8.544 ppm2      5.681 CV     1
 ASSI {  649}
   (( segid "FecA" and resid 24   and name HN  ))
   (( segid "FecA" and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   649 spectrum    1 weight  0.11000E+01 volume  0.50908E-02 ppm1      8.546 ppm2      5.310 CV     1
 ASSI {  650}
   (( segid "FecA" and resid 24   and name HN  ))
   (( segid "FecA" and resid 24   and name HA  ))
      3.200     1.300     1.300 peak   650 spectrum    1 weight  0.11000E+01 volume  0.13811E-02 ppm1      8.545 ppm2      4.564 CV     1
 ASSI {  651}
   (( segid "FecA" and resid 24   and name HN  ))
   (( segid "FecA" and resid 24   and name HB  ))
      2.800     1.000     1.000 peak   651 spectrum    1 weight  0.11000E+01 volume  0.28788E-02 ppm1      8.545 ppm2      4.246 CV     1
 ASSI {  652}
   (( segid "FecA" and resid 24   and name HN  ))
   (( segid "FecA" and resid 68   and name HB1 ))
      3.900     1.900     1.900 peak   652 spectrum    1 weight  0.11000E+01 volume  0.69035E-03 ppm1      8.542 ppm2      3.615 CV     1
 ASSI {  653}
   (( segid "FecA" and resid 24   and name HN  ))
   (( segid "FecA" and resid 23   and name HB2 ))
      2.500     0.800     0.800 peak   653 spectrum    1 weight  0.11000E+01 volume  0.39730E-02 ppm1      8.545 ppm2      3.414 CV     1
 ASSI {  654}
   (( segid "FecA" and resid 24   and name HN  ))
   (( segid "FecA" and resid 23   and name HB1 ))
      3.700     1.700     1.700 peak   654 spectrum    1 weight  0.11000E+01 volume  0.22053E-02 ppm1      8.545 ppm2      3.009 CV     1
 ASSI {  655}
   (( segid "FecA" and resid 24   and name HN  ))
   (  segid "FecA" and resid 24   and name HG2%)
      4.700     2.700     1.300 peak   655 spectrum    1 weight  0.11000E+01 volume  0.83776E-03 ppm1      8.544 ppm2      1.243 CV     1
 ASSI {  656}
   (( segid "FecA" and resid 58   and name HN  ))
   (( segid "FecA" and resid 57   and name HN  ))
      3.200     1.300     1.300 peak   656 spectrum    1 weight  0.11000E+01 volume  0.17695E-02 ppm1      8.844 ppm2      8.585 CV     1
 ASSI {  658}
   (( segid "FecA" and resid 58   and name HN  ))
   (( segid "FecA" and resid 57   and name HG  ))
      4.100     2.100     1.900 peak   658 spectrum    1 weight  0.11000E+01 volume  0.64902E-03 ppm1      8.844 ppm2      6.253 CV     1
 ASSI {  659}
   (( segid "FecA" and resid 58   and name HN  ))
   (( segid "FecA" and resid 58   and name HA2 ))
      2.800     1.000     1.000 peak   659 spectrum    1 weight  0.11000E+01 volume  0.37398E-02 ppm1      8.845 ppm2      4.256 CV     1
 ASSI {  660}
   (( segid "FecA" and resid 58   and name HN  ))
   (( segid "FecA" and resid 58   and name HA1 ))
      2.700     0.900     0.900 peak   660 spectrum    1 weight  0.11000E+01 volume  0.45552E-02 ppm1      8.844 ppm2      3.814 CV     1
 ASSI {  661}
   (( segid "FecA" and resid 58   and name HN  ))
   (( segid "FecA" and resid 59   and name HB1 ))
      6.000     6.000     0.000 peak   661 spectrum    1 weight  0.11000E+01 volume  0.65959E-04 ppm1      8.843 ppm2      1.167 CV     1
 ASSI {  662}
   (( segid "FecA" and resid 58   and name HN  ))
   (  segid "FecA" and resid 59   and name HD2%)
      5.500     3.700     0.500 peak   662 spectrum    1 weight  0.11000E+01 volume  0.18909E-03 ppm1      8.844 ppm2      0.792 CV     1
 ASSI {  663}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   663 spectrum    1 weight  0.11000E+01 volume  0.34757E-02 ppm1      7.862 ppm2      8.134 CV     1
 ASSI {  665}
   (( segid "FecA" and resid 22   and name HN  ))
   (  segid "FecA" and resid 23   and name HD% )
      4.200     2.200     1.800 peak   665 spectrum    1 weight  0.11000E+01 volume  0.31476E-03 ppm1      7.858 ppm2      6.916 CV     1
 ASSI {  666}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   666 spectrum    1 weight  0.11000E+01 volume  0.12171E-02 ppm1      7.863 ppm2      4.390 CV     1
 ASSI {  667}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 22   and name HA2 ))
      2.300     0.700     0.700 peak   667 spectrum    1 weight  0.11000E+01 volume  0.55387E-02 ppm1      7.863 ppm2      4.038 CV     1
 ASSI {  668}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 22   and name HA1 ))
      2.600     0.900     0.900 peak   668 spectrum    1 weight  0.11000E+01 volume  0.81763E-02 ppm1      7.863 ppm2      3.877 CV     1
 ASSI {  669}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 21   and name HB1 ))
      3.600     1.600     1.600 peak   669 spectrum    1 weight  0.11000E+01 volume  0.95154E-03 ppm1      7.862 ppm2      3.666 CV     1
 ASSI {  670}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 20   and name HB2 ))
      5.500     3.800     0.500 peak   670 spectrum    1 weight  0.11000E+01 volume  0.44220E-03 ppm1      7.864 ppm2      3.314 CV     1
 OR {  670}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 20   and name HB1 ))
 ASSI {  671}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 20   and name HA  ))
      3.500     3.500     2.500 peak   671 spectrum    1 weight  0.11000E+01 volume  0.34440E-03 ppm1      7.863 ppm2      4.256 CV     1
 ASSI {  672}
   (( segid "FecA" and resid 22   and name HN  ))
   (( segid "FecA" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   672 spectrum    1 weight  0.11000E+01 volume  0.41071E-03 ppm1      7.868 ppm2      2.134 CV     1
 ASSI {  673}
   (( segid "FecA" and resid 22   and name HN  ))
   (  segid "FecA" and resid 19   and name HB% )
      5.000     5.000     1.000 peak   673 spectrum    1 weight  0.11000E+01 volume  0.38655E-04 ppm1      7.867 ppm2      1.469 CV     1
 ASSI {  674}
   (( segid "FecA" and resid 22   and name HN  ))
   (  segid "FecA" and resid 18   and name HB% )
      6.000     4.900     0.000 peak   674 spectrum    1 weight  0.11000E+01 volume  0.65506E-04 ppm1      7.864 ppm2      1.012 CV     1
 ASSI {  675}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 64   and name HN  ))
      2.600     0.800     0.800 peak   675 spectrum    1 weight  0.11000E+01 volume  0.39947E-02 ppm1      7.615 ppm2      7.962 CV     1
 ASSI {  677}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 69   and name HA  ))
      5.200     3.400     0.800 peak   677 spectrum    1 weight  0.11000E+01 volume  0.36877E-03 ppm1      7.619 ppm2      5.053 CV     1
 ASSI {  678}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 64   and name HA  ))
      3.500     1.500     1.500 peak   678 spectrum    1 weight  0.11000E+01 volume  0.11154E-02 ppm1      7.614 ppm2      4.439 CV     1
 ASSI {  679}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 65   and name HA2 ))
      2.800     1.000     1.000 peak   679 spectrum    1 weight  0.11000E+01 volume  0.34398E-02 ppm1      7.616 ppm2      4.126 CV     1
 ASSI {  680}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 63   and name HA  ))
      4.100     2.100     1.900 peak   680 spectrum    1 weight  0.11000E+01 volume  0.89277E-03 ppm1      7.613 ppm2      3.975 CV     1
 ASSI {  681}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 65   and name HA1 ))
      2.900     1.000     1.000 peak   681 spectrum    1 weight  0.11000E+01 volume  0.46045E-02 ppm1      7.615 ppm2      3.646 CV     1
 ASSI {  682}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 63   and name HB2 ))
      3.200     1.300     1.300 peak   682 spectrum    1 weight  0.11000E+01 volume  0.17314E-02 ppm1      7.617 ppm2      1.548 CV     1
 OR {  682}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 63   and name HB1 ))
 ASSI {  683}
   (( segid "FecA" and resid 65   and name HN  ))
   (( segid "FecA" and resid 64   and name HB1 ))
      2.900     1.100     1.100 peak   683 spectrum    1 weight  0.11000E+01 volume  0.18226E-02 ppm1      7.616 ppm2      1.356 CV     1
 ASSI {  684}
   (( segid "FecA" and resid 65   and name HN  ))
   (  segid "FecA" and resid 64   and name HD1%)
      4.400     2.400     1.600 peak   684 spectrum    1 weight  0.11000E+01 volume  0.51254E-03 ppm1      7.616 ppm2      0.788 CV     1
 ASSI {  686}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 37   and name HA  ))
      4.400     2.400     1.600 peak   686 spectrum    1 weight  0.11000E+01 volume  0.58585E-03 ppm1      8.030 ppm2      4.929 CV     1
 ASSI {  687}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 36   and name HA  ))
      4.500     2.500     1.500 peak   687 spectrum    1 weight  0.11000E+01 volume  0.57762E-03 ppm1      8.031 ppm2      4.767 CV     1
 ASSI {  688}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 7    and name HA  ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.11000E+01 volume  0.75939E-02 ppm1      8.030 ppm2      4.190 CV     1
 ASSI {  689}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 8    and name HA1 ))
      2.900     1.100     1.100 peak   689 spectrum    1 weight  0.11000E+01 volume  0.35106E-02 ppm1      8.030 ppm2      3.939 CV     1
 ASSI {  690}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 37   and name HB2 ))
      4.700     2.700     1.300 peak   690 spectrum    1 weight  0.11000E+01 volume  0.60957E-03 ppm1      8.030 ppm2      3.767 CV     1
 ASSI {  691}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 37   and name HB1 ))
      3.500     1.600     1.600 peak   691 spectrum    1 weight  0.11000E+01 volume  0.96152E-03 ppm1      8.029 ppm2      3.256 CV     1
 ASSI {  692}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 8    and name HA2 ))
      2.700     0.900     0.900 peak   692 spectrum    1 weight  0.11000E+01 volume  0.48467E-02 ppm1      8.029 ppm2      4.305 CV     1
 ASSI {  693}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 39   and name HA1 ))
      6.000     5.600     0.000 peak   693 spectrum    1 weight  0.11000E+01 volume  0.51201E-04 ppm1      8.028 ppm2      2.865 CV     1
 ASSI {  694}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 7    and name HB2 ))
      3.700     1.700     1.700 peak   694 spectrum    1 weight  0.11000E+01 volume  0.15308E-02 ppm1      8.029 ppm2      2.330 CV     1
 ASSI {  695}
   (( segid "FecA" and resid 8    and name HN  ))
   (( segid "FecA" and resid 7    and name HB1 ))
      3.700     1.700     1.700 peak   695 spectrum    1 weight  0.11000E+01 volume  0.19761E-02 ppm1      8.031 ppm2      1.918 CV     1
 ASSI {  696}
   (( segid "FecA" and resid 8    and name HN  ))
   (  segid "FecA" and resid 13   and name HB% )
      4.400     4.400     1.600 peak   696 spectrum    1 weight  0.11000E+01 volume  0.42957E-03 ppm1      8.028 ppm2      1.356 CV     1
 ASSI {  697}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 38   and name HN  ))
      2.700     0.900     0.900 peak   697 spectrum    1 weight  0.11000E+01 volume  0.25918E-02 ppm1      8.375 ppm2      9.034 CV     1
 ASSI {  698}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 37   and name HG  ))
      3.000     1.200     1.200 peak   698 spectrum    1 weight  0.11000E+01 volume  0.20160E-02 ppm1      8.374 ppm2      5.683 CV     1
 ASSI {  699}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 38   and name HA  ))
      3.300     1.300     1.300 peak   699 spectrum    1 weight  0.11000E+01 volume  0.17013E-02 ppm1      8.374 ppm2      4.926 CV     1
 ASSI {  700}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 7    and name HA  ))
      3.300     1.300     1.300 peak   700 spectrum    1 weight  0.11000E+01 volume  0.16158E-02 ppm1      8.373 ppm2      4.179 CV     1
 ASSI {  701}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 39   and name HA2 ))
      2.600     0.800     0.800 peak   701 spectrum    1 weight  0.11000E+01 volume  0.41367E-02 ppm1      8.374 ppm2      4.017 CV     1
 ASSI {  702}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 37   and name HB2 ))
      3.900     1.900     1.900 peak   702 spectrum    1 weight  0.11000E+01 volume  0.17041E-02 ppm1      8.373 ppm2      3.771 CV     1
 ASSI {  703}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 37   and name HB1 ))
      3.400     1.500     1.500 peak   703 spectrum    1 weight  0.11000E+01 volume  0.90833E-03 ppm1      8.375 ppm2      3.254 CV     1
 ASSI {  704}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 39   and name HA1 ))
      2.800     1.000     1.000 peak   704 spectrum    1 weight  0.11000E+01 volume  0.60663E-02 ppm1      8.374 ppm2      2.852 CV     1
 ASSI {  705}
   (( segid "FecA" and resid 39   and name HN  ))
   (  segid "FecA" and resid 13   and name HB% )
      5.000     5.000     1.000 peak   705 spectrum    1 weight  0.11000E+01 volume  0.29047E-03 ppm1      8.373 ppm2      1.356 CV     1
 ASSI {  706}
   (( segid "FecA" and resid 39   and name HN  ))
   (( segid "FecA" and resid 40   and name HB1 ))
      4.600     4.600     1.400 peak   706 spectrum    1 weight  0.11000E+01 volume  0.48837E-03 ppm1      8.373 ppm2      0.941 CV     1
 ASSI {  707}
   (( segid "FecA" and resid 39   and name HN  ))
   (  segid "FecA" and resid 53   and name HD2%)
      3.600     3.600     2.400 peak   707 spectrum    1 weight  0.11000E+01 volume  0.11073E-02 ppm1      8.372 ppm2      0.503 CV     1
 ASSI {  708}
   (( segid "FecA" and resid 59   and name HN  ))
   (( segid "FecA" and resid 57   and name HG  ))
      3.100     1.200     1.200 peak   708 spectrum    1 weight  0.11000E+01 volume  0.19799E-02 ppm1      8.072 ppm2      6.258 CV     1
 ASSI {  709}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 34   and name HN  ))
      5.500     3.800     0.500 peak   709 spectrum    1 weight  0.11000E+01 volume  0.25033E-03 ppm1      7.355 ppm2      9.137 CV     1
 ASSI {  710}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 30   and name HN  ))
      4.300     2.300     1.700 peak   710 spectrum    1 weight  0.11000E+01 volume  0.89524E-04 ppm1      7.354 ppm2      8.663 CV     1
 ASSI {  711}
   (( segid "FecA" and resid 33   and name HN  ))
   (( segid "FecA" and resid 31   and name HN  ))
      4.400     2.400     1.600 peak   711 spectrum    1 weight  0.11000E+01 volume  0.47207E-03 ppm1      7.354 ppm2      8.076 CV     1
 ASSI {    1}
   (( segid "FecA" and resid 3    and name HA  ))
   (  segid "FecA" and resid 3    and name HG2%)
      2.800     1.000     1.000 peak     1 spectrum    2 weight  0.11000E+01 volume  0.37015E-02 ppm1      4.143 ppm2      0.847 CV     1
 ASSI {    2}
   (( segid "FecA" and resid 25   and name HB2 ))
   (  segid "FecA" and resid 27   and name HG1%)
      4.000     4.000     2.000 peak     2 spectrum    2 weight  0.11000E+01 volume  0.10975E-02 ppm1      1.677 ppm2      0.838 CV     1
 ASSI {    4}
   (( segid "FecA" and resid 29   and name HA  ))
   (  segid "FecA" and resid 27   and name HG1%)
      3.000     3.000     3.000 peak     4 spectrum    2 weight  0.11000E+01 volume  0.87951E-03 ppm1      4.197 ppm2      0.833 CV     1
 ASSI {    7}
   (( segid "FecA" and resid 49   and name HA2 ))
   (( segid "FecA" and resid 49   and name HA1 ))
      1.700     0.300     0.500 peak     7 spectrum    2 weight  0.11000E+01 volume  0.16879E-01 ppm1      3.699 ppm2      3.048 CV     1
 ASSI {    8}
   (( segid "FecA" and resid 22   and name HA2 ))
   (( segid "FecA" and resid 22   and name HA1 ))
      1.800     0.400     0.400 peak     8 spectrum    2 weight  0.11000E+01 volume  0.16667E-01 ppm1      4.037 ppm2      3.888 CV     1
 ASSI {   10}
   (  segid "FecA" and resid 50   and name HD1%)
   (  segid "FecA" and resid 46   and name HG1%)
      2.800     2.800     3.200 peak    10 spectrum    2 weight  0.11000E+01 volume  0.33070E-02 ppm1     -0.224 ppm2     -0.369 CV     1
 ASSI {   11}
   (  segid "FecA" and resid 46   and name HG2%)
   (  segid "FecA" and resid 46   and name HG1%)
      2.400     0.700     0.700 peak    11 spectrum    2 weight  0.11000E+01 volume  0.80870E-02 ppm1      0.863 ppm2     -0.374 CV     1
 ASSI {   12}
   (( segid "FecA" and resid 46   and name HB  ))
   (  segid "FecA" and resid 46   and name HG1%)
      2.400     0.700     0.700 peak    12 spectrum    2 weight  0.11000E+01 volume  0.55863E-02 ppm1      1.637 ppm2     -0.372 CV     1
 ASSI {   13}
   (( segid "FecA" and resid 46   and name HA  ))
   (  segid "FecA" and resid 46   and name HG1%)
      2.700     0.900     0.900 peak    13 spectrum    2 weight  0.11000E+01 volume  0.31842E-02 ppm1      3.755 ppm2     -0.372 CV     1
 ASSI {   14}
   (( segid "FecA" and resid 40   and name HB2 ))
   (( segid "FecA" and resid 40   and name HB1 ))
      1.700     0.400     0.500 peak    14 spectrum    2 weight  0.11000E+01 volume  0.13003E-01 ppm1      1.107 ppm2      0.902 CV     1
 ASSI {   15}
   (  segid "FecA" and resid 53   and name HD2%)
   (( segid "FecA" and resid 40   and name HB1 ))
      3.300     1.400     1.400 peak    15 spectrum    2 weight  0.11000E+01 volume  0.84317E-03 ppm1      0.540 ppm2      0.902 CV     1
 ASSI {   17}
   (  segid "FecA" and resid 40   and name HD2%)
   (( segid "FecA" and resid 40   and name HB1 ))
      2.900     1.000     1.000 peak    17 spectrum    2 weight  0.11000E+01 volume  0.16090E-02 ppm1     -0.046 ppm2      0.885 CV     1
 ASSI {   18}
   (  segid "FecA" and resid 40   and name HD2%)
   (( segid "FecA" and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak    18 spectrum    2 weight  0.11000E+01 volume  0.21212E-02 ppm1     -0.046 ppm2      1.111 CV     1
 ASSI {   20}
   (  segid "FecA" and resid 53   and name HD2%)
   (( segid "FecA" and resid 40   and name HB2 ))
      4.200     2.200     1.800 peak    20 spectrum    2 weight  0.11000E+01 volume  0.17605E-03 ppm1      0.538 ppm2      1.114 CV     1
 ASSI {   24}
   (  segid "FecA" and resid 40   and name HD1%)
   (( segid "FecA" and resid 49   and name HA1 ))
      4.200     4.200     1.800 peak    24 spectrum    2 weight  0.11000E+01 volume  0.11464E-02 ppm1      0.015 ppm2      3.050 CV     1
 ASSI {   26}
   (  segid "FecA" and resid 40   and name HD2%)
   (( segid "FecA" and resid 49   and name HA2 ))
      2.900     1.100     1.100 peak    26 spectrum    2 weight  0.11000E+01 volume  0.13378E-02 ppm1     -0.047 ppm2      3.706 CV     1
 ASSI {   27}
   (  segid "FecA" and resid 40   and name HD1%)
   (( segid "FecA" and resid 49   and name HA2 ))
      5.600     3.900     0.400 peak    27 spectrum    2 weight  0.11000E+01 volume  0.80741E-04 ppm1      0.016 ppm2      3.705 CV     1
 ASSI {   28}
   (( segid "FecA" and resid 1    and name HA  ))
   (  segid "FecA" and resid 1    and name HB% )
      2.500     0.800     0.800 peak    28 spectrum    2 weight  0.11000E+01 volume  0.62272E-02 ppm1      4.538 ppm2      1.448 CV     1
 ASSI {   29}
   (( segid "FecA" and resid 70   and name HB  ))
   (  segid "FecA" and resid 70   and name HG2%)
      2.400     0.700     0.700 peak    29 spectrum    2 weight  0.11000E+01 volume  0.69088E-02 ppm1      4.155 ppm2      1.206 CV     1
 ASSI {   30}
   (( segid "FecA" and resid 62   and name HB2 ))
   (  segid "FecA" and resid 70   and name HG2%)
      2.800     2.800     3.200 peak    30 spectrum    2 weight  0.11000E+01 volume  0.31746E-02 ppm1      1.710 ppm2      1.209 CV     1
 ASSI {   31}
   (( segid "FecA" and resid 62   and name HB1 ))
   (  segid "FecA" and resid 70   and name HG2%)
      3.000     3.000     3.000 peak    31 spectrum    2 weight  0.11000E+01 volume  0.24671E-02 ppm1      1.551 ppm2      1.203 CV     1
 ASSI {   33}
   (( segid "FecA" and resid 25   and name HB1 ))
   (( segid "FecA" and resid 25   and name HB2 ))
      1.700     0.300     0.500 peak    33 spectrum    2 weight  0.11000E+01 volume  0.17184E-01 ppm1      1.531 ppm2      1.745 CV     1
 ASSI {   35}
   (  segid "FecA" and resid 25   and name HD2%)
   (( segid "FecA" and resid 25   and name HB1 ))
      2.900     1.100     1.100 peak    35 spectrum    2 weight  0.11000E+01 volume  0.42724E-02 ppm1      0.915 ppm2      1.522 CV     1
 ASSI {   36}
   (  segid "FecA" and resid 25   and name HD2%)
   (( segid "FecA" and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak    36 spectrum    2 weight  0.11000E+01 volume  0.42526E-02 ppm1      0.915 ppm2      1.751 CV     1
 ASSI {   39}
   (( segid "FecA" and resid 71   and name HB2 ))
   (( segid "FecA" and resid 71   and name HB1 ))
      1.600     0.300     0.600 peak    39 spectrum    2 weight  0.11000E+01 volume  0.22887E-01 ppm1      1.698 ppm2      1.423 CV     1
 ASSI {   41}
   (  segid "FecA" and resid 31   and name HD1%)
   (( segid "FecA" and resid 71   and name HB2 ))
      3.400     3.400     2.600 peak    41 spectrum    2 weight  0.11000E+01 volume  0.17897E-02 ppm1      0.981 ppm2      1.716 CV     1
 ASSI {   42}
   (  segid "FecA" and resid 71   and name HD2%)
   (( segid "FecA" and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak    42 spectrum    2 weight  0.11000E+01 volume  0.43291E-02 ppm1      0.841 ppm2      1.713 CV     1
 ASSI {   43}
   (  segid "FecA" and resid 71   and name HD2%)
   (( segid "FecA" and resid 71   and name HB1 ))
      2.800     1.000     1.000 peak    43 spectrum    2 weight  0.11000E+01 volume  0.35605E-02 ppm1      0.846 ppm2      1.422 CV     1
 ASSI {   46}
   (( segid "FecA" and resid 59   and name HB2 ))
   (( segid "FecA" and resid 59   and name HB1 ))
      1.800     0.400     0.400 peak    46 spectrum    2 weight  0.11000E+01 volume  0.98765E-02 ppm1      1.966 ppm2      1.188 CV     1
 ASSI {   48}
   (( segid "FecA" and resid 59   and name HG  ))
   (( segid "FecA" and resid 59   and name HB2 ))
      2.800     1.000     1.000 peak    48 spectrum    2 weight  0.11000E+01 volume  0.18885E-02 ppm1      1.527 ppm2      1.968 CV     1
 ASSI {   49}
   (  segid "FecA" and resid 71   and name HD1%)
   (( segid "FecA" and resid 59   and name HB2 ))
      2.400     2.400     3.600 peak    49 spectrum    2 weight  0.11000E+01 volume  0.33871E-02 ppm1      0.837 ppm2      1.965 CV     1
 ASSI {   53}
   (  segid "FecA" and resid 59   and name HD2%)
   (( segid "FecA" and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak    53 spectrum    2 weight  0.11000E+01 volume  0.25198E-02 ppm1      0.794 ppm2      1.196 CV     1
 ASSI {   54}
   (  segid "FecA" and resid 71   and name HD2%)
   (( segid "FecA" and resid 59   and name HB1 ))
      2.800     2.800     3.200 peak    54 spectrum    2 weight  0.11000E+01 volume  0.26280E-02 ppm1      0.842 ppm2      1.183 CV     1
 ASSI {   55}
   (( segid "FecA" and resid 59   and name HA  ))
   (( segid "FecA" and resid 59   and name HB2 ))
      4.400     2.400     1.600 peak    55 spectrum    2 weight  0.11000E+01 volume  0.30883E-03 ppm1      5.012 ppm2      1.965 CV     1
 ASSI {   57}
   (( segid "FecA" and resid 56   and name HA2 ))
   (( segid "FecA" and resid 56   and name HA1 ))
      1.800     0.400     0.400 peak    57 spectrum    2 weight  0.11000E+01 volume  0.19821E-01 ppm1      4.384 ppm2      3.839 CV     1
 ASSI {   58}
   (( segid "FecA" and resid 58   and name HA2 ))
   (( segid "FecA" and resid 58   and name HA1 ))
      1.700     0.400     0.500 peak    58 spectrum    2 weight  0.11000E+01 volume  0.25296E-01 ppm1      4.254 ppm2      3.823 CV     1
 ASSI {   59}
   (( segid "FecA" and resid 34   and name HA2 ))
   (( segid "FecA" and resid 34   and name HA1 ))
      1.800     0.400     0.400 peak    59 spectrum    2 weight  0.11000E+01 volume  0.18313E-01 ppm1      4.167 ppm2      3.812 CV     1
 ASSI {   60}
   (( segid "FecA" and resid 8    and name HA2 ))
   (( segid "FecA" and resid 8    and name HA1 ))
      1.800     0.400     0.400 peak    60 spectrum    2 weight  0.11000E+01 volume  0.17816E-01 ppm1      4.312 ppm2      3.941 CV     1
 ASSI {   63}
   (( segid "FecA" and resid 42   and name HA1 ))
   (( segid "FecA" and resid 42   and name HA2 ))
      1.800     0.400     0.400 peak    63 spectrum    2 weight  0.11000E+01 volume  0.16628E-01 ppm1      3.775 ppm2      4.361 CV     1
 ASSI {   64}
   (  segid "FecA" and resid 5    and name HG2%)
   (  segid "FecA" and resid 13   and name HB% )
      2.300     2.300     3.700 peak    64 spectrum    2 weight  0.11000E+01 volume  0.61538E-02 ppm1      0.969 ppm2      1.369 CV     1
 ASSI {   66}
   (  segid "FecA" and resid 53   and name HD2%)
   (  segid "FecA" and resid 13   and name HB% )
      2.500     2.500     3.500 peak    66 spectrum    2 weight  0.11000E+01 volume  0.44723E-02 ppm1      0.538 ppm2      1.367 CV     1
 ASSI {   67}
   (  segid "FecA" and resid 53   and name HD1%)
   (  segid "FecA" and resid 13   and name HB% )
      3.000     3.000     3.000 peak    67 spectrum    2 weight  0.11000E+01 volume  0.15387E-02 ppm1      0.455 ppm2      1.372 CV     1
 ASSI {   68}
   (( segid "FecA" and resid 37   and name HB1 ))
   (  segid "FecA" and resid 13   and name HB% )
      3.000     3.000     3.000 peak    68 spectrum    2 weight  0.11000E+01 volume  0.18054E-02 ppm1      3.254 ppm2      1.370 CV     1
 ASSI {   69}
   (( segid "FecA" and resid 10   and name HA  ))
   (  segid "FecA" and resid 13   and name HB% )
      2.500     0.800     0.800 peak    69 spectrum    2 weight  0.11000E+01 volume  0.34294E-02 ppm1      3.983 ppm2      1.369 CV     1
 ASSI {   70}
   (( segid "FecA" and resid 13   and name HA  ))
   (  segid "FecA" and resid 13   and name HB% )
      2.200     0.600     0.600 peak    70 spectrum    2 weight  0.11000E+01 volume  0.10491E-01 ppm1      4.084 ppm2      1.366 CV     1
 ASSI {   71}
   (( segid "FecA" and resid 76   and name HA  ))
   (  segid "FecA" and resid 76   and name HB% )
      2.600     0.800     0.800 peak    71 spectrum    2 weight  0.11000E+01 volume  0.47916E-02 ppm1      4.587 ppm2      1.377 CV     1
 ASSI {   72}
   (( segid "FecA" and resid 29   and name HA  ))
   (  segid "FecA" and resid 29   and name HB% )
      2.400     0.700     0.700 peak    72 spectrum    2 weight  0.11000E+01 volume  0.90587E-02 ppm1      4.197 ppm2      1.499 CV     1
 ASSI {   74}
   (( segid "FecA" and resid 19   and name HA  ))
   (  segid "FecA" and resid 19   and name HB% )
      2.300     0.600     0.600 peak    74 spectrum    2 weight  0.11000E+01 volume  0.12052E-01 ppm1      4.062 ppm2      1.473 CV     1
 ASSI {   75}
   (( segid "FecA" and resid 6    and name HA  ))
   (  segid "FecA" and resid 6    and name HB% )
      2.400     0.700     0.700 peak    75 spectrum    2 weight  0.11000E+01 volume  0.69704E-02 ppm1      4.515 ppm2      1.417 CV     1
 ASSI {   76}
   (( segid "FecA" and resid 7    and name HD2 ))
   (  segid "FecA" and resid 6    and name HB% )
      2.600     0.900     0.900 peak    76 spectrum    2 weight  0.11000E+01 volume  0.26751E-02 ppm1      3.804 ppm2      1.417 CV     1
 ASSI {   77}
   (( segid "FecA" and resid 7    and name HD1 ))
   (  segid "FecA" and resid 6    and name HB% )
      3.200     1.300     1.300 peak    77 spectrum    2 weight  0.11000E+01 volume  0.56979E-02 ppm1      3.631 ppm2      1.414 CV     1
 ASSI {   78}
   (( segid "FecA" and resid 74   and name HA  ))
   (  segid "FecA" and resid 74   and name HB% )
      2.400     0.700     0.700 peak    78 spectrum    2 weight  0.11000E+01 volume  0.69234E-02 ppm1      4.389 ppm2      1.185 CV     1
 ASSI {   79}
   (( segid "FecA" and resid 73   and name HD1 ))
   (  segid "FecA" and resid 74   and name HB% )
      2.800     2.800     3.200 peak    79 spectrum    2 weight  0.11000E+01 volume  0.13167E-02 ppm1      3.750 ppm2      1.186 CV     1
 ASSI {   80}
   (( segid "FecA" and resid 73   and name HD2 ))
   (  segid "FecA" and resid 74   and name HB% )
      2.500     2.500     3.500 peak    80 spectrum    2 weight  0.11000E+01 volume  0.27005E-02 ppm1      3.584 ppm2      1.183 CV     1
 ASSI {   82}
   (( segid "FecA" and resid 18   and name HA  ))
   (  segid "FecA" and resid 18   and name HB% )
      2.300     0.700     0.700 peak    82 spectrum    2 weight  0.11000E+01 volume  0.88473E-02 ppm1      2.128 ppm2      1.024 CV     1
 ASSI {   83}
   (( segid "FecA" and resid 25   and name HG  ))
   (  segid "FecA" and resid 18   and name HB% )
      3.300     3.300     2.700 peak    83 spectrum    2 weight  0.11000E+01 volume  0.42538E-03 ppm1      1.531 ppm2      1.023 CV     1
 ASSI {   84}
   (( segid "FecA" and resid 73   and name HB2 ))
   (  segid "FecA" and resid 74   and name HB% )
      3.500     3.500     2.500 peak    84 spectrum    2 weight  0.11000E+01 volume  0.12646E-02 ppm1      2.020 ppm2      1.190 CV     1
 ASSI {   85}
   (( segid "FecA" and resid 39   and name HA2 ))
   (( segid "FecA" and resid 39   and name HA1 ))
      1.800     0.400     0.400 peak    85 spectrum    2 weight  0.11000E+01 volume  0.15550E-01 ppm1      4.026 ppm2      2.865 CV     1
 ASSI {   87}
   (  segid "FecA" and resid 5    and name HG2%)
   (( segid "FecA" and resid 39   and name HA1 ))
      5.300     3.500     0.700 peak    87 spectrum    2 weight  0.11000E+01 volume  0.34836E-03 ppm1      0.971 ppm2      2.866 CV     1
 ASSI {   88}
   (  segid "FecA" and resid 53   and name HD2%)
   (( segid "FecA" and resid 39   and name HA1 ))
      2.800     2.800     3.200 peak    88 spectrum    2 weight  0.11000E+01 volume  0.11314E-02 ppm1      0.539 ppm2      2.864 CV     1
 OR {   88}
   (  segid "FecA" and resid 53   and name HD2%)
   (( segid "FecA" and resid 39   and name HA2 ))
 ASSI {   89}
   (  segid "FecA" and resid 5    and name HG2%)
   (( segid "FecA" and resid 39   and name HA2 ))
      3.900     1.900     1.900 peak    89 spectrum    2 weight  0.11000E+01 volume  0.26420E-03 ppm1      0.971 ppm2      4.032 CV     1
 ASSI {   92}
   (  segid "FecA" and resid 64   and name HD2%)
   (( segid "FecA" and resid 70   and name HB  ))
      2.600     0.800     0.800 peak    92 spectrum    2 weight  0.11000E+01 volume  0.46917E-02 ppm1      0.798 ppm2      4.158 CV     1
 ASSI {   93}
   (( segid "FecA" and resid 68   and name HA  ))
   (( segid "FecA" and resid 24   and name HB  ))
      3.000     3.000     3.000 peak    93 spectrum    2 weight  0.11000E+01 volume  0.28898E-02 ppm1      5.709 ppm2      4.255 CV     1
 ASSI {   95}
   (  segid "FecA" and resid 24   and name HG2%)
   (( segid "FecA" and resid 24   and name HB  ))
      2.500     0.800     0.800 peak    95 spectrum    2 weight  0.11000E+01 volume  0.52912E-02 ppm1      1.248 ppm2      4.257 CV     1
 ASSI {   96}
   (( segid "FecA" and resid 65   and name HA2 ))
   (( segid "FecA" and resid 65   and name HA1 ))
      1.800     0.400     0.400 peak    96 spectrum    2 weight  0.11000E+01 volume  0.18394E-01 ppm1      4.129 ppm2      3.651 CV     1
 ASSI {   98}
   (  segid "FecA" and resid 53   and name HD1%)
   (  segid "FecA" and resid 5    and name HG2%)
      4.200     4.200     1.800 peak    98 spectrum    2 weight  0.11000E+01 volume  0.65595E-03 ppm1      0.453 ppm2      0.973 CV     1
 ASSI {   99}
   (  segid "FecA" and resid 53   and name HD2%)
   (  segid "FecA" and resid 5    and name HG2%)
      3.100     3.100     2.900 peak    99 spectrum    2 weight  0.11000E+01 volume  0.15696E-02 ppm1      0.540 ppm2      0.972 CV     1
 ASSI {  100}
   (  segid "FecA" and resid 5    and name HD1%)
   (  segid "FecA" and resid 5    and name HG2%)
      2.500     2.500     3.500 peak   100 spectrum    2 weight  0.11000E+01 volume  0.51388E-02 ppm1      0.715 ppm2      0.971 CV     1
 ASSI {  103}
   (( segid "FecA" and resid 5    and name HB  ))
   (  segid "FecA" and resid 5    and name HG2%)
      2.300     0.600     0.600 peak   103 spectrum    2 weight  0.11000E+01 volume  0.58455E-02 ppm1      1.601 ppm2      0.974 CV     1
 ASSI {  104}
   (( segid "FecA" and resid 16   and name HB2 ))
   (  segid "FecA" and resid 5    and name HG2%)
      2.900     2.900     3.100 peak   104 spectrum    2 weight  0.11000E+01 volume  0.89389E-03 ppm1      2.363 ppm2      0.963 CV     1
 ASSI {  106}
   (( segid "FecA" and resid 13   and name HA  ))
   (  segid "FecA" and resid 5    and name HG2%)
      2.600     2.600     3.400 peak   106 spectrum    2 weight  0.11000E+01 volume  0.38651E-02 ppm1      4.085 ppm2      0.971 CV     1
 ASSI {  107}
   (( segid "FecA" and resid 5    and name HA  ))
   (  segid "FecA" and resid 5    and name HG2%)
      2.500     0.800     0.800 peak   107 spectrum    2 weight  0.11000E+01 volume  0.46124E-02 ppm1      4.210 ppm2      0.972 CV     1
 ASSI {  109}
   (  segid "FecA" and resid 64   and name HD2%)
   (( segid "FecA" and resid 64   and name HB1 ))
      2.800     1.000     1.000 peak   109 spectrum    2 weight  0.11000E+01 volume  0.55407E-02 ppm1      0.797 ppm2      1.363 CV     1
 ASSI {  112}
   (( segid "FecA" and resid 68   and name HB2 ))
   (( segid "FecA" and resid 64   and name HB1 ))
      2.900     1.000     1.000 peak   112 spectrum    2 weight  0.11000E+01 volume  0.22641E-02 ppm1      3.641 ppm2      1.368 CV     1
 ASSI {  113}
   (( segid "FecA" and resid 68   and name HB1 ))
   (( segid "FecA" and resid 64   and name HB1 ))
      3.400     1.400     1.400 peak   113 spectrum    2 weight  0.11000E+01 volume  0.14014E-02 ppm1      3.612 ppm2      1.357 CV     1
 ASSI {  115}
   (( segid "FecA" and resid 53   and name HG  ))
   (( segid "FecA" and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak   115 spectrum    2 weight  0.11000E+01 volume  0.35206E-02 ppm1      1.379 ppm2      1.128 CV     1
 ASSI {  116}
   (  segid "FecA" and resid 14   and name HD2%)
   (( segid "FecA" and resid 53   and name HB1 ))
      3.600     1.600     1.600 peak   116 spectrum    2 weight  0.11000E+01 volume  0.97309E-03 ppm1      0.742 ppm2      1.122 CV     1
 ASSI {  118}
   (  segid "FecA" and resid 53   and name HD1%)
   (( segid "FecA" and resid 53   and name HB1 ))
      2.900     1.000     1.000 peak   118 spectrum    2 weight  0.11000E+01 volume  0.22219E-02 ppm1      0.453 ppm2      1.121 CV     1
 ASSI {  119}
   (( segid "FecA" and resid 53   and name HG  ))
   (( segid "FecA" and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   119 spectrum    2 weight  0.11000E+01 volume  0.34381E-02 ppm1      1.378 ppm2      1.819 CV     1
 ASSI {  120}
   (( segid "FecA" and resid 53   and name HB1 ))
   (( segid "FecA" and resid 53   and name HB2 ))
      1.700     0.300     0.500 peak   120 spectrum    2 weight  0.11000E+01 volume  0.12690E-01 ppm1      1.118 ppm2      1.813 CV     1
 ASSI {  121}
   (  segid "FecA" and resid 54   and name HD2%)
   (( segid "FecA" and resid 54   and name HB2 ))
      4.400     4.400     1.600 peak   121 spectrum    2 weight  0.11000E+01 volume  0.27101E-03 ppm1      0.841 ppm2      1.825 CV     1
 ASSI {  122}
   (  segid "FecA" and resid 14   and name HD2%)
   (( segid "FecA" and resid 53   and name HB2 ))
      4.400     2.400     1.600 peak   122 spectrum    2 weight  0.11000E+01 volume  0.24483E-03 ppm1      0.744 ppm2      1.816 CV     1
 ASSI {  123}
   (  segid "FecA" and resid 50   and name HD2%)
   (( segid "FecA" and resid 53   and name HB2 ))
      3.500     3.500     2.500 peak   123 spectrum    2 weight  0.11000E+01 volume  0.18336E-02 ppm1      0.652 ppm2      1.832 CV     1
 ASSI {  127}
   (( segid "FecA" and resid 50   and name HA  ))
   (( segid "FecA" and resid 53   and name HB1 ))
      6.000     4.600     0.000 peak   127 spectrum    2 weight  0.11000E+01 volume  0.14281E-03 ppm1      3.712 ppm2      1.110 CV     1
 ASSI {  128}
   (( segid "FecA" and resid 53   and name HA  ))
   (( segid "FecA" and resid 53   and name HB2 ))
      3.000     1.100     1.100 peak   128 spectrum    2 weight  0.11000E+01 volume  0.23917E-02 ppm1      3.796 ppm2      1.817 CV     1
 ASSI {  130}
   (( segid "FecA" and resid 31   and name HB2 ))
   (( segid "FecA" and resid 31   and name HB1 ))
      1.800     0.400     0.400 peak   130 spectrum    2 weight  0.11000E+01 volume  0.11516E-01 ppm1      1.954 ppm2      1.529 CV     1
 ASSI {  131}
   (( segid "FecA" and resid 31   and name HG  ))
   (( segid "FecA" and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak   131 spectrum    2 weight  0.11000E+01 volume  0.42782E-02 ppm1      1.738 ppm2      1.530 CV     1
 ASSI {  132}
   (  segid "FecA" and resid 31   and name HD1%)
   (( segid "FecA" and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak   132 spectrum    2 weight  0.11000E+01 volume  0.25220E-02 ppm1      0.981 ppm2      1.529 CV     1
 ASSI {  135}
   (( segid "FecA" and resid 31   and name HG  ))
   (( segid "FecA" and resid 31   and name HB2 ))
      2.100     0.600     0.600 peak   135 spectrum    2 weight  0.11000E+01 volume  0.96622E-02 ppm1      1.740 ppm2      1.954 CV     1
 ASSI {  137}
   (  segid "FecA" and resid 31   and name HD1%)
   (( segid "FecA" and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   137 spectrum    2 weight  0.11000E+01 volume  0.32376E-02 ppm1      0.980 ppm2      1.958 CV     1
 ASSI {  138}
   (  segid "FecA" and resid 31   and name HD2%)
   (( segid "FecA" and resid 31   and name HB2 ))
      3.400     1.500     1.500 peak   138 spectrum    2 weight  0.11000E+01 volume  0.34108E-02 ppm1      0.853 ppm2      1.958 CV     1
 ASSI {  139}
   (( segid "FecA" and resid 50   and name HB2 ))
   (( segid "FecA" and resid 50   and name HB1 ))
      1.700     0.400     0.500 peak   139 spectrum    2 weight  0.11000E+01 volume  0.10742E-01 ppm1      1.677 ppm2      0.958 CV     1
 ASSI {  140}
   (( segid "FecA" and resid 50   and name HG  ))
   (( segid "FecA" and resid 50   and name HB1 ))
      3.900     1.900     1.900 peak   140 spectrum    2 weight  0.11000E+01 volume  0.44468E-03 ppm1      1.412 ppm2      0.960 CV     1
 ASSI {  141}
   (( segid "FecA" and resid 53   and name HG  ))
   (( segid "FecA" and resid 50   and name HB1 ))
      4.900     3.000     1.100 peak   141 spectrum    2 weight  0.11000E+01 volume  0.27864E-03 ppm1      1.379 ppm2      0.968 CV     1
 ASSI {  142}
   (  segid "FecA" and resid 50   and name HD2%)
   (( segid "FecA" and resid 50   and name HB1 ))
      2.600     2.600     3.400 peak   142 spectrum    2 weight  0.11000E+01 volume  0.32774E-02 ppm1      0.650 ppm2      0.961 CV     1
 ASSI {  143}
   (  segid "FecA" and resid 50   and name HD2%)
   (( segid "FecA" and resid 50   and name HB2 ))
      3.000     1.100     1.100 peak   143 spectrum    2 weight  0.11000E+01 volume  0.41832E-02 ppm1      0.651 ppm2      1.647 CV     1
 ASSI {  145}
   (( segid "FecA" and resid 31   and name HA  ))
   (( segid "FecA" and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak   145 spectrum    2 weight  0.11000E+01 volume  0.38526E-02 ppm1      4.308 ppm2      1.538 CV     1
 ASSI {  147}
   (( segid "FecA" and resid 54   and name HB2 ))
   (( segid "FecA" and resid 54   and name HB1 ))
      1.800     0.400     0.400 peak   147 spectrum    2 weight  0.11000E+01 volume  0.11885E-01 ppm1      1.835 ppm2      1.616 CV     1
 ASSI {  150}
   (( segid "FecA" and resid 14   and name HB2 ))
   (( segid "FecA" and resid 14   and name HB1 ))
      1.700     0.400     0.500 peak   150 spectrum    2 weight  0.11000E+01 volume  0.12499E-01 ppm1      1.983 ppm2      1.324 CV     1
 ASSI {  151}
   (( segid "FecA" and resid 14   and name HG  ))
   (( segid "FecA" and resid 14   and name HB1 ))
      3.300     1.400     1.400 peak   151 spectrum    2 weight  0.11000E+01 volume  0.13151E-02 ppm1      1.835 ppm2      1.327 CV     1
 ASSI {  152}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 14   and name HB1 ))
      3.600     3.600     2.400 peak   152 spectrum    2 weight  0.11000E+01 volume  0.26816E-02 ppm1      0.916 ppm2      1.326 CV     1
 ASSI {  153}
   (  segid "FecA" and resid 14   and name HD1%)
   (( segid "FecA" and resid 14   and name HB1 ))
      2.600     0.900     0.900 peak   153 spectrum    2 weight  0.11000E+01 volume  0.53922E-02 ppm1      0.751 ppm2      1.327 CV     1
 ASSI {  154}
   (( segid "FecA" and resid 14   and name HG  ))
   (( segid "FecA" and resid 14   and name HB2 ))
      2.200     0.600     0.600 peak   154 spectrum    2 weight  0.11000E+01 volume  0.75733E-02 ppm1      1.838 ppm2      1.980 CV     1
 ASSI {  156}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 14   and name HB2 ))
      3.900     3.900     2.100 peak   156 spectrum    2 weight  0.11000E+01 volume  0.12255E-02 ppm1      0.918 ppm2      1.985 CV     1
 ASSI {  157}
   (  segid "FecA" and resid 14   and name HD1%)
   (( segid "FecA" and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   157 spectrum    2 weight  0.11000E+01 volume  0.50119E-02 ppm1      0.758 ppm2      1.985 CV     1
 ASSI {  160}
   (( segid "FecA" and resid 11   and name HA  ))
   (( segid "FecA" and resid 14   and name HB2 ))
      3.300     1.300     1.300 peak   160 spectrum    2 weight  0.11000E+01 volume  0.95911E-03 ppm1      4.092 ppm2      1.986 CV     1
 ASSI {  161}
   (  segid "FecA" and resid 10   and name HD2%)
   (( segid "FecA" and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak   161 spectrum    2 weight  0.11000E+01 volume  0.28975E-02 ppm1      0.837 ppm2      1.100 CV     1
 ASSI {  162}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 10   and name HB1 ))
      2.600     0.900     0.900 peak   162 spectrum    2 weight  0.11000E+01 volume  0.10040E-01 ppm1      0.918 ppm2      1.086 CV     1
 ASSI {  163}
   (( segid "FecA" and resid 10   and name HG  ))
   (( segid "FecA" and resid 10   and name HB1 ))
      2.900     1.000     1.000 peak   163 spectrum    2 weight  0.11000E+01 volume  0.15597E-02 ppm1      1.503 ppm2      1.108 CV     1
 ASSI {  164}
   (( segid "FecA" and resid 10   and name HB2 ))
   (( segid "FecA" and resid 10   and name HB1 ))
      1.700     0.400     0.500 peak   164 spectrum    2 weight  0.11000E+01 volume  0.11948E-01 ppm1      1.719 ppm2      1.102 CV     1
 ASSI {  166}
   (( segid "FecA" and resid 35   and name HB2 ))
   (( segid "FecA" and resid 10   and name HB2 ))
      3.900     1.900     1.900 peak   166 spectrum    2 weight  0.11000E+01 volume  0.11376E-02 ppm1      1.927 ppm2      1.721 CV     1
 ASSI {  167}
   (( segid "FecA" and resid 10   and name HG  ))
   (( segid "FecA" and resid 10   and name HB2 ))
      2.900     1.000     1.000 peak   167 spectrum    2 weight  0.11000E+01 volume  0.26048E-02 ppm1      1.487 ppm2      1.720 CV     1
 ASSI {  169}
   (  segid "FecA" and resid 10   and name HD2%)
   (( segid "FecA" and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak   169 spectrum    2 weight  0.11000E+01 volume  0.38876E-02 ppm1      0.838 ppm2      1.722 CV     1
 ASSI {  170}
   (  segid "FecA" and resid 50   and name HD1%)
   (( segid "FecA" and resid 50   and name HB1 ))
      3.100     1.200     1.200 peak   170 spectrum    2 weight  0.11000E+01 volume  0.20990E-02 ppm1     -0.225 ppm2      0.960 CV     1
 ASSI {  171}
   (  segid "FecA" and resid 50   and name HD1%)
   (( segid "FecA" and resid 50   and name HB2 ))
      2.700     0.900     0.900 peak   171 spectrum    2 weight  0.11000E+01 volume  0.28160E-02 ppm1     -0.225 ppm2      1.677 CV     1
 ASSI {  172}
   (( segid "FecA" and resid 47   and name HA  ))
   (( segid "FecA" and resid 50   and name HB2 ))
      2.800     1.000     1.000 peak   172 spectrum    2 weight  0.11000E+01 volume  0.20754E-02 ppm1      3.283 ppm2      1.668 CV     1
 ASSI {  174}
   (( segid "FecA" and resid 44   and name HB2 ))
   (( segid "FecA" and resid 44   and name HB1 ))
      1.700     0.400     0.500 peak   174 spectrum    2 weight  0.11000E+01 volume  0.11034E-01 ppm1      3.206 ppm2      2.388 CV     1
 ASSI {  177}
   (( segid "FecA" and resid 33   and name HB1 ))
   (( segid "FecA" and resid 33   and name HD1 ))
      3.200     1.300     1.300 peak   177 spectrum    2 weight  0.11000E+01 volume  0.17093E-02 ppm1      1.788 ppm2      3.231 CV     1
 OR {  177}
   (( segid "FecA" and resid 33   and name HB1 ))
   (( segid "FecA" and resid 33   and name HD2 ))
 ASSI {  179}
   (( segid "FecA" and resid 33   and name HG1 ))
   (( segid "FecA" and resid 33   and name HD2 ))
      2.600     0.900     0.900 peak   179 spectrum    2 weight  0.11000E+01 volume  0.44636E-02 ppm1      1.601 ppm2      3.232 CV     1
 OR {  179}
   (( segid "FecA" and resid 33   and name HG1 ))
   (( segid "FecA" and resid 33   and name HD1 ))
 ASSI {  180}
   (  segid "FecA" and resid 17   and name HE% )
   (( segid "FecA" and resid 44   and name HB1 ))
      4.300     2.300     1.700 peak   180 spectrum    2 weight  0.11000E+01 volume  0.35668E-03 ppm1      6.674 ppm2      2.380 CV     1
 ASSI {  181}
   (  segid "FecA" and resid 17   and name HD% )
   (( segid "FecA" and resid 44   and name HB1 ))
      4.000     2.000     2.000 peak   181 spectrum    2 weight  0.11000E+01 volume  0.81604E-03 ppm1      6.926 ppm2      2.393 CV     1
 ASSI {  182}
   (  segid "FecA" and resid 17   and name HD% )
   (( segid "FecA" and resid 44   and name HB2 ))
      3.700     3.700     2.300 peak   182 spectrum    2 weight  0.11000E+01 volume  0.94320E-03 ppm1      6.927 ppm2      3.214 CV     1
 ASSI {  183}
   (  segid "FecA" and resid 17   and name HE% )
   (( segid "FecA" and resid 44   and name HB2 ))
      3.900     1.900     1.900 peak   183 spectrum    2 weight  0.11000E+01 volume  0.42617E-03 ppm1      6.677 ppm2      3.206 CV     1
 ASSI {  184}
   (( segid "FecA" and resid 44   and name HA  ))
   (( segid "FecA" and resid 44   and name HB1 ))
      3.000     1.100     1.100 peak   184 spectrum    2 weight  0.11000E+01 volume  0.11875E-02 ppm1      4.718 ppm2      2.386 CV     1
 ASSI {  186}
   (( segid "FecA" and resid 33   and name HA  ))
   (( segid "FecA" and resid 33   and name HD1 ))
      4.400     2.400     1.600 peak   186 spectrum    2 weight  0.11000E+01 volume  0.47861E-03 ppm1      4.142 ppm2      3.235 CV     1
 OR {  186}
   (( segid "FecA" and resid 33   and name HA  ))
   (( segid "FecA" and resid 33   and name HD2 ))
 ASSI {  187}
   (( segid "FecA" and resid 45   and name HA  ))
   (( segid "FecA" and resid 44   and name HB2 ))
      4.900     3.100     1.100 peak   187 spectrum    2 weight  0.11000E+01 volume  0.19822E-03 ppm1      4.883 ppm2      3.233 CV     1
 ASSI {  189}
   (( segid "FecA" and resid 35   and name HD1 ))
   (( segid "FecA" and resid 35   and name HE1 ))
      2.600     0.900     0.900 peak   189 spectrum    2 weight  0.11000E+01 volume  0.35353E-02 ppm1      1.664 ppm2      3.154 CV     1
 OR {  189}
   (( segid "FecA" and resid 35   and name HD1 ))
   (( segid "FecA" and resid 35   and name HE2 ))
 ASSI {  190}
   (( segid "FecA" and resid 59   and name HG  ))
   (( segid "FecA" and resid 35   and name HE1 ))
      3.300     3.300     2.700 peak   190 spectrum    2 weight  0.11000E+01 volume  0.45587E-03 ppm1      1.515 ppm2      3.166 CV     1
 OR {  190}
   (( segid "FecA" and resid 59   and name HG  ))
   (( segid "FecA" and resid 35   and name HE2 ))
 ASSI {  191}
   (( segid "FecA" and resid 35   and name HG2 ))
   (( segid "FecA" and resid 35   and name HE2 ))
      2.700     0.900     0.900 peak   191 spectrum    2 weight  0.11000E+01 volume  0.45014E-02 ppm1      1.395 ppm2      3.155 CV     1
 OR {  191}
   (( segid "FecA" and resid 35   and name HG1 ))
   (( segid "FecA" and resid 35   and name HE2 ))
 OR {  191}
   (( segid "FecA" and resid 35   and name HG2 ))
   (( segid "FecA" and resid 35   and name HE1 ))
 OR {  191}
   (( segid "FecA" and resid 35   and name HG1 ))
   (( segid "FecA" and resid 35   and name HE1 ))
 ASSI {  192}
   (  segid "FecA" and resid 10   and name HD2%)
   (( segid "FecA" and resid 35   and name HE1 ))
      4.500     2.500     1.500 peak   192 spectrum    2 weight  0.11000E+01 volume  0.28358E-03 ppm1      0.841 ppm2      3.167 CV     1
 ASSI {  193}
   (  segid "FecA" and resid 59   and name HD2%)
   (( segid "FecA" and resid 35   and name HE2 ))
      3.800     3.800     2.200 peak   193 spectrum    2 weight  0.11000E+01 volume  0.20402E-03 ppm1      0.796 ppm2      3.164 CV     1
 ASSI {  194}
   (  segid "FecA" and resid 59   and name HD1%)
   (( segid "FecA" and resid 35   and name HE2 ))
      2.800     2.800     3.200 peak   194 spectrum    2 weight  0.11000E+01 volume  0.12111E-02 ppm1      0.709 ppm2      3.157 CV     1
 ASSI {  195}
   (( segid "FecA" and resid 54   and name HB1 ))
   (( segid "FecA" and resid 55   and name HB2 ))
      3.300     3.300     2.700 peak   195 spectrum    2 weight  0.11000E+01 volume  0.31093E-02 ppm1      1.594 ppm2      2.849 CV     1
 ASSI {  196}
   (  segid "FecA" and resid 31   and name HD1%)
   (( segid "FecA" and resid 28   and name HB2 ))
      3.300     1.400     1.400 peak   196 spectrum    2 weight  0.11000E+01 volume  0.13276E-02 ppm1      0.979 ppm2      2.823 CV     1
 ASSI {  197}
   (  segid "FecA" and resid 31   and name HD1%)
   (( segid "FecA" and resid 28   and name HB1 ))
      4.600     2.600     1.400 peak   197 spectrum    2 weight  0.11000E+01 volume  0.24800E-03 ppm1      0.981 ppm2      2.687 CV     1
 ASSI {  198}
   (( segid "FecA" and resid 31   and name HG  ))
   (( segid "FecA" and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak   198 spectrum    2 weight  0.11000E+01 volume  0.82878E-03 ppm1      1.735 ppm2      2.831 CV     1
 ASSI {  199}
   (( segid "FecA" and resid 28   and name HA  ))
   (( segid "FecA" and resid 28   and name HB2 ))
      2.900     1.100     1.100 peak   199 spectrum    2 weight  0.11000E+01 volume  0.25014E-02 ppm1      4.638 ppm2      2.831 CV     1
 ASSI {  200}
   (( segid "FecA" and resid 28   and name HA  ))
   (( segid "FecA" and resid 28   and name HB1 ))
      2.600     0.900     0.900 peak   200 spectrum    2 weight  0.11000E+01 volume  0.49113E-02 ppm1      4.637 ppm2      2.696 CV     1
 ASSI {  201}
   (( segid "FecA" and resid 45   and name HB2 ))
   (( segid "FecA" and resid 45   and name HB1 ))
      1.900     0.400     0.400 peak   201 spectrum    2 weight  0.11000E+01 volume  0.99252E-02 ppm1      2.992 ppm2      2.771 CV     1
 ASSI {  202}
   (( segid "FecA" and resid 45   and name HA  ))
   (( segid "FecA" and resid 45   and name HB1 ))
      2.600     0.900     0.900 peak   202 spectrum    2 weight  0.11000E+01 volume  0.40678E-02 ppm1      4.913 ppm2      2.769 CV     1
 ASSI {  203}
   (( segid "FecA" and resid 45   and name HA  ))
   (( segid "FecA" and resid 45   and name HB2 ))
      2.800     1.000     1.000 peak   203 spectrum    2 weight  0.11000E+01 volume  0.46692E-02 ppm1      4.913 ppm2      2.997 CV     1
 ASSI {  204}
   (( segid "FecA" and resid 55   and name HA  ))
   (( segid "FecA" and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak   204 spectrum    2 weight  0.11000E+01 volume  0.52930E-02 ppm1      4.513 ppm2      2.883 CV     1
 ASSI {  206}
   (( segid "FecA" and resid 52   and name HA  ))
   (( segid "FecA" and resid 55   and name HB1 ))
      5.000     3.200     1.000 peak   206 spectrum    2 weight  0.11000E+01 volume  0.23747E-03 ppm1      4.044 ppm2      2.776 CV     1
 ASSI {  210}
   (( segid "FecA" and resid 23   and name HB1 ))
   (( segid "FecA" and resid 23   and name HB2 ))
      1.800     0.400     0.400 peak   210 spectrum    2 weight  0.11000E+01 volume  0.10982E-01 ppm1      3.018 ppm2      3.447 CV     1
 ASSI {  212}
   (( segid "FecA" and resid 43   and name HA  ))
   (( segid "FecA" and resid 43   and name HB2 ))
      2.800     1.000     1.000 peak   212 spectrum    2 weight  0.11000E+01 volume  0.36700E-02 ppm1      4.958 ppm2      2.444 CV     1
 ASSI {  214}
   (( segid "FecA" and resid 43   and name HB2 ))
   (( segid "FecA" and resid 43   and name HB1 ))
      1.800     0.400     0.400 peak   214 spectrum    2 weight  0.11000E+01 volume  0.17227E-01 ppm1      2.432 ppm2      2.324 CV     1
 ASSI {  216}
   (( segid "FecA" and resid 4    and name HB2 ))
   (( segid "FecA" and resid 4    and name HB1 ))
      1.800     0.400     0.400 peak   216 spectrum    2 weight  0.11000E+01 volume  0.17675E-01 ppm1      2.772 ppm2      2.558 CV     1
 ASSI {  218}
   (( segid "FecA" and resid 4    and name HA  ))
   (( segid "FecA" and resid 4    and name HB1 ))
      2.800     1.000     1.000 peak   218 spectrum    2 weight  0.11000E+01 volume  0.36186E-02 ppm1      5.189 ppm2      2.552 CV     1
 ASSI {  219}
   (( segid "FecA" and resid 4    and name HA  ))
   (( segid "FecA" and resid 4    and name HB2 ))
      2.800     1.000     1.000 peak   219 spectrum    2 weight  0.11000E+01 volume  0.29079E-02 ppm1      5.187 ppm2      2.776 CV     1
 ASSI {  220}
   (( segid "FecA" and resid 11   and name HB2 ))
   (( segid "FecA" and resid 11   and name HB1 ))
      1.700     0.400     0.500 peak   220 spectrum    2 weight  0.11000E+01 volume  0.22615E-01 ppm1      2.633 ppm2      2.543 CV     1
 ASSI {  221}
   (( segid "FecA" and resid 11   and name HA  ))
   (( segid "FecA" and resid 11   and name HB1 ))
      2.900     1.100     1.100 peak   221 spectrum    2 weight  0.11000E+01 volume  0.33303E-02 ppm1      4.091 ppm2      2.537 CV     1
 ASSI {  222}
   (( segid "FecA" and resid 11   and name HA  ))
   (( segid "FecA" and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak   222 spectrum    2 weight  0.11000E+01 volume  0.51431E-02 ppm1      4.091 ppm2      2.642 CV     1
 ASSI {  223}
   (( segid "FecA" and resid 37   and name HB1 ))
   (( segid "FecA" and resid 37   and name HB2 ))
      1.700     0.400     0.500 peak   223 spectrum    2 weight  0.11000E+01 volume  0.15472E-01 ppm1      3.255 ppm2      3.764 CV     1
 ASSI {  225}
   (( segid "FecA" and resid 10   and name HA  ))
   (( segid "FecA" and resid 37   and name HB1 ))
      3.200     1.200     1.200 peak   225 spectrum    2 weight  0.11000E+01 volume  0.12529E-02 ppm1      3.982 ppm2      3.259 CV     1
 ASSI {  227}
   (  segid "FecA" and resid 13   and name HB% )
   (( segid "FecA" and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak   227 spectrum    2 weight  0.11000E+01 volume  0.10299E-02 ppm1      1.368 ppm2      3.768 CV     1
 ASSI {  228}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 37   and name HB2 ))
      2.600     0.800     0.800 peak   228 spectrum    2 weight  0.11000E+01 volume  0.31113E-02 ppm1      0.917 ppm2      3.768 CV     1
 ASSI {  229}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 37   and name HB1 ))
      3.800     1.800     1.800 peak   229 spectrum    2 weight  0.11000E+01 volume  0.13593E-02 ppm1      0.919 ppm2      3.256 CV     1
 ASSI {  231}
   (( segid "FecA" and resid 37   and name HA  ))
   (( segid "FecA" and resid 37   and name HB2 ))
      2.400     0.700     0.700 peak   231 spectrum    2 weight  0.11000E+01 volume  0.39701E-02 ppm1      4.951 ppm2      3.764 CV     1
 ASSI {  232}
   (( segid "FecA" and resid 37   and name HA  ))
   (( segid "FecA" and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   232 spectrum    2 weight  0.11000E+01 volume  0.23040E-02 ppm1      4.948 ppm2      3.259 CV     1
 ASSI {  233}
   (( segid "FecA" and resid 46   and name HB  ))
   (( segid "FecA" and resid 46   and name HA  ))
      3.100     1.200     1.200 peak   233 spectrum    2 weight  0.11000E+01 volume  0.17199E-02 ppm1      1.641 ppm2      3.758 CV     1
 ASSI {  234}
   (  segid "FecA" and resid 46   and name HG2%)
   (( segid "FecA" and resid 46   and name HA  ))
      2.600     0.800     0.800 peak   234 spectrum    2 weight  0.11000E+01 volume  0.50812E-02 ppm1      0.864 ppm2      3.757 CV     1
 ASSI {  236}
   (( segid "FecA" and resid 57   and name HB1 ))
   (( segid "FecA" and resid 57   and name HB2 ))
      1.700     0.400     0.500 peak   236 spectrum    2 weight  0.11000E+01 volume  0.16503E-01 ppm1      3.791 ppm2      4.155 CV     1
 ASSI {  238}
   (( segid "FecA" and resid 57   and name HA  ))
   (( segid "FecA" and resid 57   and name HB1 ))
      2.500     0.800     0.800 peak   238 spectrum    2 weight  0.11000E+01 volume  0.56781E-02 ppm1      4.367 ppm2      3.792 CV     1
 ASSI {  240}
   (  segid "FecA" and resid 54   and name HD2%)
   (( segid "FecA" and resid 57   and name HB2 ))
      3.500     3.500     2.500 peak   240 spectrum    2 weight  0.11000E+01 volume  0.14608E-02 ppm1      0.839 ppm2      4.154 CV     1
 ASSI {  241}
   (  segid "FecA" and resid 54   and name HD2%)
   (( segid "FecA" and resid 57   and name HB1 ))
      3.500     3.500     2.500 peak   241 spectrum    2 weight  0.11000E+01 volume  0.16090E-02 ppm1      0.836 ppm2      3.795 CV     1
 ASSI {  242}
   (( segid "FecA" and resid 68   and name HA  ))
   (( segid "FecA" and resid 68   and name HB1 ))
      2.500     0.800     0.800 peak   242 spectrum    2 weight  0.11000E+01 volume  0.64420E-02 ppm1      5.709 ppm2      3.624 CV     1
 OR {  242}
   (( segid "FecA" and resid 68   and name HA  ))
   (( segid "FecA" and resid 68   and name HB2 ))
 ASSI {  243}
   (( segid "FecA" and resid 24   and name HB  ))
   (( segid "FecA" and resid 68   and name HB2 ))
      3.100     3.100     2.900 peak   243 spectrum    2 weight  0.11000E+01 volume  0.20225E-02 ppm1      4.253 ppm2      3.627 CV     1
 ASSI {  244}
   (( segid "FecA" and resid 66   and name HB2 ))
   (( segid "FecA" and resid 68   and name HB2 ))
      4.700     2.800     1.300 peak   244 spectrum    2 weight  0.11000E+01 volume  0.19796E-03 ppm1      2.828 ppm2      3.638 CV     1
 ASSI {  245}
   (( segid "FecA" and resid 64   and name HB2 ))
   (( segid "FecA" and resid 68   and name HB2 ))
      3.100     1.200     1.200 peak   245 spectrum    2 weight  0.11000E+01 volume  0.15841E-02 ppm1      1.437 ppm2      3.633 CV     1
 OR {  245}
   (( segid "FecA" and resid 64   and name HB2 ))
   (( segid "FecA" and resid 68   and name HB1 ))
 ASSI {  246}
   (( segid "FecA" and resid 64   and name HB1 ))
   (( segid "FecA" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak   246 spectrum    2 weight  0.11000E+01 volume  0.36265E-02 ppm1      1.350 ppm2      3.625 CV     1
 OR {  246}
   (( segid "FecA" and resid 64   and name HB1 ))
   (( segid "FecA" and resid 68   and name HB1 ))
 ASSI {  247}
   (  segid "FecA" and resid 24   and name HG2%)
   (( segid "FecA" and resid 68   and name HB1 ))
      3.700     1.700     1.700 peak   247 spectrum    2 weight  0.11000E+01 volume  0.11451E-02 ppm1      1.248 ppm2      3.627 CV     1
 OR {  247}
   (  segid "FecA" and resid 24   and name HG2%)
   (( segid "FecA" and resid 68   and name HB2 ))
 ASSI {  248}
   (  segid "FecA" and resid 64   and name HD2%)
   (( segid "FecA" and resid 68   and name HB2 ))
      3.400     3.400     2.600 peak   248 spectrum    2 weight  0.11000E+01 volume  0.20230E-02 ppm1      0.798 ppm2      3.623 CV     1
 OR {  248}
   (  segid "FecA" and resid 64   and name HD2%)
   (( segid "FecA" and resid 68   and name HB1 ))
 ASSI {  249}
   (( segid "FecA" and resid 5    and name HG11))
   (( segid "FecA" and resid 5    and name HB  ))
      2.400     0.700     0.700 peak   249 spectrum    2 weight  0.11000E+01 volume  0.47731E-02 ppm1      1.191 ppm2      1.607 CV     1
 OR {  249}
   (( segid "FecA" and resid 5    and name HG12))
   (( segid "FecA" and resid 5    and name HB  ))
 ASSI {  250}
   (( segid "FecA" and resid 40   and name HB2 ))
   (( segid "FecA" and resid 5    and name HB  ))
      3.300     1.400     1.400 peak   250 spectrum    2 weight  0.11000E+01 volume  0.23431E-02 ppm1      1.107 ppm2      1.606 CV     1
 ASSI {  253}
   (  segid "FecA" and resid 53   and name HD2%)
   (( segid "FecA" and resid 5    and name HB  ))
      4.900     3.000     1.100 peak   253 spectrum    2 weight  0.11000E+01 volume  0.14612E-03 ppm1      0.539 ppm2      1.604 CV     1
 ASSI {  255}
   (( segid "FecA" and resid 67   and name HB1 ))
   (( segid "FecA" and resid 67   and name HB2 ))
      1.800     0.400     0.400 peak   255 spectrum    2 weight  0.11000E+01 volume  0.16688E-01 ppm1      2.668 ppm2      3.381 CV     1
 ASSI {  257}
   (( segid "FecA" and resid 67   and name HA  ))
   (( segid "FecA" and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak   257 spectrum    2 weight  0.11000E+01 volume  0.28024E-02 ppm1      4.426 ppm2      3.384 CV     1
 ASSI {  258}
   (( segid "FecA" and resid 67   and name HA  ))
   (( segid "FecA" and resid 67   and name HB1 ))
      2.900     1.000     1.000 peak   258 spectrum    2 weight  0.11000E+01 volume  0.35084E-02 ppm1      4.427 ppm2      2.668 CV     1
 ASSI {  259}
   (( segid "FecA" and resid 23   and name HA  ))
   (( segid "FecA" and resid 67   and name HB2 ))
      5.600     3.900     0.400 peak   259 spectrum    2 weight  0.11000E+01 volume  0.17519E-03 ppm1      5.326 ppm2      3.379 CV     1
 ASSI {  261}
   (( segid "FecA" and resid 15   and name HB2 ))
   (( segid "FecA" and resid 15   and name HB1 ))
      1.600     0.300     0.600 peak   261 spectrum    2 weight  0.11000E+01 volume  0.21350E-01 ppm1      2.913 ppm2      2.772 CV     1
 ASSI {  262}
   (( segid "FecA" and resid 12   and name HA  ))
   (( segid "FecA" and resid 15   and name HB1 ))
      3.100     1.200     1.200 peak   262 spectrum    2 weight  0.11000E+01 volume  0.93892E-03 ppm1      4.049 ppm2      2.773 CV     1
 ASSI {  263}
   (( segid "FecA" and resid 15   and name HA  ))
   (( segid "FecA" and resid 15   and name HB1 ))
      2.900     1.100     1.100 peak   263 spectrum    2 weight  0.11000E+01 volume  0.44855E-02 ppm1      4.381 ppm2      2.765 CV     1
 ASSI {  264}
   (( segid "FecA" and resid 15   and name HA  ))
   (( segid "FecA" and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak   264 spectrum    2 weight  0.11000E+01 volume  0.28893E-02 ppm1      4.382 ppm2      2.920 CV     1
 ASSI {  265}
   (( segid "FecA" and resid 12   and name HA  ))
   (( segid "FecA" and resid 15   and name HB2 ))
      3.300     1.300     1.300 peak   265 spectrum    2 weight  0.11000E+01 volume  0.21484E-02 ppm1      4.050 ppm2      2.922 CV     1
 ASSI {  266}
   (( segid "FecA" and resid 38   and name HA  ))
   (( segid "FecA" and resid 38   and name HB2 ))
      2.800     1.000     1.000 peak   266 spectrum    2 weight  0.11000E+01 volume  0.52964E-02 ppm1      4.918 ppm2      2.985 CV     1
 ASSI {  267}
   (( segid "FecA" and resid 17   and name HA  ))
   (( segid "FecA" and resid 17   and name HB2 ))
      2.800     0.900     0.900 peak   267 spectrum    2 weight  0.11000E+01 volume  0.25025E-02 ppm1      4.485 ppm2      3.107 CV     1
 ASSI {  268}
   (( segid "FecA" and resid 17   and name HA  ))
   (( segid "FecA" and resid 17   and name HB1 ))
      3.400     1.400     1.400 peak   268 spectrum    2 weight  0.11000E+01 volume  0.12952E-02 ppm1      4.485 ppm2      3.017 CV     1
 ASSI {  269}
   (( segid "FecA" and resid 17   and name HB2 ))
   (( segid "FecA" and resid 17   and name HB1 ))
      1.700     0.400     0.500 peak   269 spectrum    2 weight  0.11000E+01 volume  0.13478E-01 ppm1      3.100 ppm2      3.006 CV     1
 ASSI {  271}
   (( segid "FecA" and resid 69   and name HZ3 ))
   (( segid "FecA" and resid 17   and name HB2 ))
      4.800     2.900     1.200 peak   271 spectrum    2 weight  0.11000E+01 volume  0.41865E-03 ppm1      6.811 ppm2      3.124 CV     1
 ASSI {  272}
   (( segid "FecA" and resid 69   and name HZ3 ))
   (( segid "FecA" and resid 17   and name HB1 ))
      3.700     1.700     1.700 peak   272 spectrum    2 weight  0.11000E+01 volume  0.10245E-02 ppm1      6.810 ppm2      3.009 CV     1
 ASSI {  273}
   (( segid "FecA" and resid 69   and name HH2 ))
   (( segid "FecA" and resid 17   and name HB1 ))
      3.700     1.700     1.700 peak   273 spectrum    2 weight  0.11000E+01 volume  0.28151E-03 ppm1      7.056 ppm2      2.996 CV     1
 ASSI {  274}
   (( segid "FecA" and resid 69   and name HH2 ))
   (( segid "FecA" and resid 17   and name HB2 ))
      4.800     2.900     1.200 peak   274 spectrum    2 weight  0.11000E+01 volume  0.36128E-03 ppm1      7.057 ppm2      3.115 CV     1
 ASSI {  275}
   (  segid "FecA" and resid 5    and name HD1%)
   (( segid "FecA" and resid 17   and name HB2 ))
      2.900     2.900     3.100 peak   275 spectrum    2 weight  0.11000E+01 volume  0.18642E-02 ppm1      0.713 ppm2      3.108 CV     1
 ASSI {  276}
   (  segid "FecA" and resid 53   and name HD1%)
   (( segid "FecA" and resid 17   and name HB2 ))
      2.600     2.600     3.400 peak   276 spectrum    2 weight  0.11000E+01 volume  0.19812E-02 ppm1      0.455 ppm2      3.111 CV     1
 ASSI {  279}
   (( segid "FecA" and resid 21   and name HB2 ))
   (( segid "FecA" and resid 21   and name HB1 ))
      1.800     0.400     0.400 peak   279 spectrum    2 weight  0.11000E+01 volume  0.15427E-01 ppm1      3.879 ppm2      3.676 CV     1
 ASSI {  280}
   (( segid "FecA" and resid 21   and name HA  ))
   (( segid "FecA" and resid 21   and name HB2 ))
      2.600     0.800     0.800 peak   280 spectrum    2 weight  0.11000E+01 volume  0.54679E-02 ppm1      4.391 ppm2      3.882 CV     1
 ASSI {  281}
   (( segid "FecA" and resid 21   and name HA  ))
   (( segid "FecA" and resid 21   and name HB1 ))
      3.000     1.100     1.100 peak   281 spectrum    2 weight  0.11000E+01 volume  0.28686E-02 ppm1      4.391 ppm2      3.674 CV     1
 ASSI {  282}
   (  segid "FecA" and resid 46   and name HG2%)
   (( segid "FecA" and resid 21   and name HB2 ))
      2.800     2.800     3.200 peak   282 spectrum    2 weight  0.11000E+01 volume  0.12293E-02 ppm1      0.862 ppm2      3.888 CV     1
 ASSI {  283}
   (  segid "FecA" and resid 46   and name HG2%)
   (( segid "FecA" and resid 21   and name HB1 ))
      4.400     4.400     1.600 peak   283 spectrum    2 weight  0.11000E+01 volume  0.13036E-03 ppm1      0.861 ppm2      3.679 CV     1
 ASSI {  284}
   (  segid "FecA" and resid 40   and name HD2%)
   (  segid "FecA" and resid 5    and name HD1%)
      4.800     2.800     1.200 peak   284 spectrum    2 weight  0.11000E+01 volume  0.15426E-03 ppm1     -0.044 ppm2      0.723 CV     1
 ASSI {  285}
   (  segid "FecA" and resid 53   and name HD1%)
   (  segid "FecA" and resid 5    and name HD1%)
      3.300     1.400     1.400 peak   285 spectrum    2 weight  0.11000E+01 volume  0.10169E-02 ppm1      0.452 ppm2      0.719 CV     1
 ASSI {  286}
   (  segid "FecA" and resid 53   and name HD2%)
   (  segid "FecA" and resid 5    and name HD1%)
      4.200     2.200     1.800 peak   286 spectrum    2 weight  0.11000E+01 volume  0.22496E-03 ppm1      0.539 ppm2      0.715 CV     1
 ASSI {  288}
   (( segid "FecA" and resid 5    and name HG12))
   (  segid "FecA" and resid 5    and name HD1%)
      2.300     0.600     0.600 peak   288 spectrum    2 weight  0.11000E+01 volume  0.80847E-02 ppm1      1.188 ppm2      0.724 CV     1
 OR {  288}
   (( segid "FecA" and resid 5    and name HG11))
   (  segid "FecA" and resid 5    and name HD1%)
 ASSI {  289}
   (( segid "FecA" and resid 5    and name HB  ))
   (  segid "FecA" and resid 5    and name HD1%)
      3.100     1.200     1.200 peak   289 spectrum    2 weight  0.11000E+01 volume  0.17094E-02 ppm1      1.608 ppm2      0.716 CV     1
 ASSI {  290}
   (( segid "FecA" and resid 16   and name HB1 ))
   (  segid "FecA" and resid 5    and name HD1%)
      3.100     3.100     2.900 peak   290 spectrum    2 weight  0.11000E+01 volume  0.13463E-02 ppm1      2.055 ppm2      0.720 CV     1
 ASSI {  291}
   (( segid "FecA" and resid 16   and name HB2 ))
   (  segid "FecA" and resid 5    and name HD1%)
      3.400     1.500     1.500 peak   291 spectrum    2 weight  0.11000E+01 volume  0.18208E-02 ppm1      2.362 ppm2      0.715 CV     1
 ASSI {  293}
   (( segid "FecA" and resid 5    and name HA  ))
   (  segid "FecA" and resid 5    and name HD1%)
      3.100     1.200     1.200 peak   293 spectrum    2 weight  0.11000E+01 volume  0.28131E-02 ppm1      4.209 ppm2      0.719 CV     1
 ASSI {  294}
   (( segid "FecA" and resid 17   and name HA  ))
   (  segid "FecA" and resid 5    and name HD1%)
      2.900     2.900     3.100 peak   294 spectrum    2 weight  0.11000E+01 volume  0.35771E-02 ppm1      4.487 ppm2      0.718 CV     1
 ASSI {  295}
   (( segid "FecA" and resid 66   and name HB1 ))
   (( segid "FecA" and resid 66   and name HB2 ))
      1.800     0.400     0.400 peak   295 spectrum    2 weight  0.11000E+01 volume  0.16513E-01 ppm1      2.650 ppm2      2.862 CV     1
 ASSI {  297}
   (( segid "FecA" and resid 66   and name HA  ))
   (( segid "FecA" and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak   297 spectrum    2 weight  0.11000E+01 volume  0.39856E-02 ppm1      4.287 ppm2      2.866 CV     1
 ASSI {  298}
   (( segid "FecA" and resid 66   and name HA  ))
   (( segid "FecA" and resid 66   and name HB1 ))
      2.900     1.100     1.100 peak   298 spectrum    2 weight  0.11000E+01 volume  0.29781E-02 ppm1      4.288 ppm2      2.645 CV     1
 ASSI {  300}
   (( segid "FecA" and resid 47   and name HB1 ))
   (( segid "FecA" and resid 47   and name HG2 ))
      2.200     0.600     0.600 peak   300 spectrum    2 weight  0.11000E+01 volume  0.14917E-01 ppm1      1.985 ppm2      2.148 CV     1
 OR {  300}
   (( segid "FecA" and resid 47   and name HB1 ))
   (( segid "FecA" and resid 47   and name HG1 ))
 ASSI {  301}
   (  segid "FecA" and resid 46   and name HG2%)
   (( segid "FecA" and resid 47   and name HG1 ))
      4.200     2.200     1.800 peak   301 spectrum    2 weight  0.11000E+01 volume  0.11968E-02 ppm1      0.898 ppm2      2.163 CV     1
 OR {  301}
   (  segid "FecA" and resid 46   and name HG2%)
   (( segid "FecA" and resid 47   and name HG2 ))
 ASSI {  303}
   (( segid "FecA" and resid 9    and name HB2 ))
   (( segid "FecA" and resid 9    and name HB1 ))
      1.800     0.400     0.400 peak   303 spectrum    2 weight  0.11000E+01 volume  0.15397E-01 ppm1      4.186 ppm2      4.037 CV     1
 ASSI {  304}
   (( segid "FecA" and resid 9    and name HA  ))
   (( segid "FecA" and resid 9    and name HB2 ))
      2.400     0.700     0.700 peak   304 spectrum    2 weight  0.11000E+01 volume  0.55172E-02 ppm1      4.400 ppm2      4.192 CV     1
 ASSI {  306}
   (( segid "FecA" and resid 59   and name HA  ))
   (( segid "FecA" and resid 75   and name HA  ))
      2.500     2.500     3.500 peak   306 spectrum    2 weight  0.11000E+01 volume  0.48141E-02 ppm1      5.019 ppm2      4.632 CV     1
 ASSI {  307}
   (( segid "FecA" and resid 75   and name HB1 ))
   (( segid "FecA" and resid 75   and name HA  ))
      2.400     0.700     0.700 peak   307 spectrum    2 weight  0.11000E+01 volume  0.46864E-02 ppm1      2.380 ppm2      4.632 CV     1
 ASSI {  308}
   (( segid "FecA" and resid 75   and name HG1 ))
   (( segid "FecA" and resid 75   and name HA  ))
      4.700     2.800     1.300 peak   308 spectrum    2 weight  0.11000E+01 volume  0.50626E-03 ppm1      1.945 ppm2      4.638 CV     1
 ASSI {  309}
   (( segid "FecA" and resid 77   and name HB1 ))
   (( segid "FecA" and resid 75   and name HA  ))
      3.500     3.500     2.500 peak   309 spectrum    2 weight  0.11000E+01 volume  0.20212E-02 ppm1      1.886 ppm2      4.632 CV     1
 ASSI {  310}
   (  segid "FecA" and resid 59   and name HD2%)
   (( segid "FecA" and resid 75   and name HA  ))
      2.800     2.800     3.200 peak   310 spectrum    2 weight  0.11000E+01 volume  0.50744E-02 ppm1      0.795 ppm2      4.630 CV     1
 ASSI {  311}
   (( segid "FecA" and resid 26   and name HA  ))
   (( segid "FecA" and resid 26   and name HB2 ))
      2.900     1.100     1.100 peak   311 spectrum    2 weight  0.11000E+01 volume  0.25631E-02 ppm1      4.834 ppm2      3.864 CV     1
 ASSI {  312}
   (( segid "FecA" and resid 26   and name HA  ))
   (( segid "FecA" and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak   312 spectrum    2 weight  0.11000E+01 volume  0.36138E-02 ppm1      4.834 ppm2      3.723 CV     1
 ASSI {  313}
   (( segid "FecA" and resid 26   and name HB2 ))
   (( segid "FecA" and resid 26   and name HB1 ))
      1.600     0.300     0.600 peak   313 spectrum    2 weight  0.11000E+01 volume  0.36383E-01 ppm1      3.862 ppm2      3.732 CV     1
 ASSI {  315}
   (  segid "FecA" and resid 64   and name HD2%)
   (( segid "FecA" and resid 26   and name HB2 ))
      3.600     3.600     2.400 peak   315 spectrum    2 weight  0.11000E+01 volume  0.89283E-03 ppm1      0.798 ppm2      3.873 CV     1
 ASSI {  316}
   (  segid "FecA" and resid 64   and name HD2%)
   (( segid "FecA" and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   316 spectrum    2 weight  0.11000E+01 volume  0.75422E-03 ppm1      0.799 ppm2      3.724 CV     1
 ASSI {  317}
   (( segid "FecA" and resid 69   and name HA  ))
   (( segid "FecA" and resid 63   and name HA  ))
      2.200     0.600     0.600 peak   317 spectrum    2 weight  0.11000E+01 volume  0.33672E-02 ppm1      5.075 ppm2      3.988 CV     1
 ASSI {  318}
   (( segid "FecA" and resid 63   and name HB1 ))
   (( segid "FecA" and resid 63   and name HA  ))
      2.300     0.600     0.600 peak   318 spectrum    2 weight  0.11000E+01 volume  0.59460E-02 ppm1      1.564 ppm2      3.990 CV     1
 OR {  318}
   (( segid "FecA" and resid 63   and name HB2 ))
   (( segid "FecA" and resid 63   and name HA  ))
 ASSI {  319}
   (( segid "FecA" and resid 77   and name HB1 ))
   (( segid "FecA" and resid 77   and name HA  ))
      2.600     0.800     0.800 peak   319 spectrum    2 weight  0.11000E+01 volume  0.37682E-02 ppm1      1.887 ppm2      4.396 CV     1
 ASSI {  321}
   (( segid "FecA" and resid 73   and name HB1 ))
   (( segid "FecA" and resid 73   and name HA  ))
      2.100     0.600     0.600 peak   321 spectrum    2 weight  0.11000E+01 volume  0.84452E-02 ppm1      2.284 ppm2      4.400 CV     1
 ASSI {  322}
   (( segid "FecA" and resid 73   and name HD2 ))
   (( segid "FecA" and resid 73   and name HA  ))
      3.400     1.400     1.400 peak   322 spectrum    2 weight  0.11000E+01 volume  0.16474E-02 ppm1      3.591 ppm2      4.395 CV     1
 ASSI {  323}
   (( segid "FecA" and resid 7    and name HB1 ))
   (( segid "FecA" and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   323 spectrum    2 weight  0.11000E+01 volume  0.17744E-02 ppm1      1.926 ppm2      4.204 CV     1
 ASSI {  325}
   (( segid "FecA" and resid 7    and name HB2 ))
   (( segid "FecA" and resid 7    and name HA  ))
      2.900     1.000     1.000 peak   325 spectrum    2 weight  0.11000E+01 volume  0.42971E-02 ppm1      2.342 ppm2      4.206 CV     1
 ASSI {  326}
   (( segid "FecA" and resid 38   and name HA  ))
   (( segid "FecA" and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   326 spectrum    2 weight  0.11000E+01 volume  0.12491E-02 ppm1      4.916 ppm2      4.208 CV     1
 ASSI {  327}
   (( segid "FecA" and resid 48   and name HA  ))
   (( segid "FecA" and resid 48   and name HB1 ))
      2.400     0.700     0.700 peak   327 spectrum    2 weight  0.11000E+01 volume  0.83289E-02 ppm1      4.276 ppm2      4.076 CV     1
 OR {  327}
   (( segid "FecA" and resid 48   and name HA  ))
   (( segid "FecA" and resid 48   and name HB2 ))
 ASSI {  328}
   (( segid "FecA" and resid 24   and name HB  ))
   (( segid "FecA" and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   328 spectrum    2 weight  0.11000E+01 volume  0.42419E-02 ppm1      4.255 ppm2      4.573 CV     1
 ASSI {  329}
   (  segid "FecA" and resid 24   and name HG2%)
   (( segid "FecA" and resid 24   and name HA  ))
      2.800     1.000     1.000 peak   329 spectrum    2 weight  0.11000E+01 volume  0.30399E-02 ppm1      1.249 ppm2      4.578 CV     1
 ASSI {  330}
   (  segid "FecA" and resid 18   and name HB% )
   (( segid "FecA" and resid 24   and name HA  ))
      4.800     4.800     1.200 peak   330 spectrum    2 weight  0.11000E+01 volume  0.18546E-03 ppm1      1.020 ppm2      4.571 CV     1
 ASSI {  331}
   (( segid "FecA" and resid 30   and name HB1 ))
   (( segid "FecA" and resid 30   and name HA  ))
      2.400     0.700     0.700 peak   331 spectrum    2 weight  0.11000E+01 volume  0.78751E-02 ppm1      3.945 ppm2      4.124 CV     1
 OR {  331}
   (( segid "FecA" and resid 30   and name HB2 ))
   (( segid "FecA" and resid 30   and name HA  ))
 ASSI {  332}
   (  segid "FecA" and resid 59   and name HD1%)
   (( segid "FecA" and resid 32   and name HA  ))
      3.500     1.500     1.500 peak   332 spectrum    2 weight  0.11000E+01 volume  0.91315E-03 ppm1      0.711 ppm2      4.087 CV     1
 ASSI {  333}
   (  segid "FecA" and resid 32   and name HG2%)
   (( segid "FecA" and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   333 spectrum    2 weight  0.11000E+01 volume  0.74847E-02 ppm1      0.843 ppm2      4.092 CV     1
 ASSI {  336}
   (( segid "FecA" and resid 35   and name HD2 ))
   (( segid "FecA" and resid 32   and name HA  ))
      4.400     2.400     1.600 peak   336 spectrum    2 weight  0.11000E+01 volume  0.41077E-03 ppm1      1.723 ppm2      4.085 CV     1
 ASSI {  337}
   (( segid "FecA" and resid 35   and name HB2 ))
   (( segid "FecA" and resid 32   and name HA  ))
      4.400     2.500     1.600 peak   337 spectrum    2 weight  0.11000E+01 volume  0.19112E-03 ppm1      1.955 ppm2      4.100 CV     1
 ASSI {  340}
   (( segid "FecA" and resid 48   and name HB1 ))
   (( segid "FecA" and resid 48   and name HA  ))
      2.600     0.800     0.800 peak   340 spectrum    2 weight  0.11000E+01 volume  0.48718E-02 ppm1      4.047 ppm2      4.274 CV     1
 ASSI {  343}
   (  segid "FecA" and resid 27   and name HG1%)
   (( segid "FecA" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak   343 spectrum    2 weight  0.11000E+01 volume  0.28975E-02 ppm1      0.825 ppm2      4.419 CV     1
 ASSI {  344}
   (  segid "FecA" and resid 27   and name HG2%)
   (( segid "FecA" and resid 27   and name HA  ))
      3.000     1.100     1.100 peak   344 spectrum    2 weight  0.11000E+01 volume  0.26388E-02 ppm1      0.981 ppm2      4.422 CV     1
 ASSI {  345}
   (( segid "FecA" and resid 27   and name HB  ))
   (( segid "FecA" and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   345 spectrum    2 weight  0.11000E+01 volume  0.25412E-02 ppm1      2.054 ppm2      4.420 CV     1
 ASSI {  346}
   (  segid "FecA" and resid 61   and name HG1%)
   (( segid "FecA" and resid 61   and name HA  ))
      2.700     2.700     3.300 peak   346 spectrum    2 weight  0.11000E+01 volume  0.59888E-02 ppm1      0.868 ppm2      4.819 CV     1
 ASSI {  347}
   (( segid "FecA" and resid 61   and name HB  ))
   (( segid "FecA" and resid 61   and name HA  ))
      2.600     0.900     0.900 peak   347 spectrum    2 weight  0.11000E+01 volume  0.29817E-02 ppm1      2.033 ppm2      4.819 CV     1
 ASSI {  348}
   (( segid "FecA" and resid 71   and name HA  ))
   (( segid "FecA" and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   348 spectrum    2 weight  0.11000E+01 volume  0.42310E-02 ppm1      5.512 ppm2      4.818 CV     1
 ASSI {  349}
   (( segid "FecA" and resid 57   and name HB2 ))
   (( segid "FecA" and resid 57   and name HA  ))
      2.200     0.600     0.600 peak   349 spectrum    2 weight  0.11000E+01 volume  0.11769E-01 ppm1      4.151 ppm2      4.362 CV     1
 ASSI {  352}
   (( segid "FecA" and resid 62   and name HG2 ))
   (( segid "FecA" and resid 62   and name HB1 ))
      2.600     0.800     0.800 peak   352 spectrum    2 weight  0.11000E+01 volume  0.35123E-02 ppm1      1.368 ppm2      1.544 CV     1
 ASSI {  353}
   (( segid "FecA" and resid 62   and name HG1 ))
   (( segid "FecA" and resid 62   and name HB1 ))
      3.100     1.200     1.200 peak   353 spectrum    2 weight  0.11000E+01 volume  0.26051E-02 ppm1      1.202 ppm2      1.550 CV     1
 ASSI {  354}
   (( segid "FecA" and resid 62   and name HG1 ))
   (( segid "FecA" and resid 62   and name HB2 ))
      2.500     0.800     0.800 peak   354 spectrum    2 weight  0.11000E+01 volume  0.36987E-02 ppm1      1.202 ppm2      1.709 CV     1
 ASSI {  355}
   (( segid "FecA" and resid 62   and name HG2 ))
   (( segid "FecA" and resid 62   and name HB2 ))
      3.100     1.200     1.200 peak   355 spectrum    2 weight  0.11000E+01 volume  0.23066E-02 ppm1      1.373 ppm2      1.701 CV     1
 ASSI {  356}
   (( segid "FecA" and resid 62   and name HB1 ))
   (( segid "FecA" and resid 62   and name HB2 ))
      1.600     0.300     0.600 peak   356 spectrum    2 weight  0.11000E+01 volume  0.25799E-01 ppm1      1.551 ppm2      1.707 CV     1
 ASSI {  357}
   (( segid "FecA" and resid 63   and name HD1 ))
   (( segid "FecA" and resid 62   and name HB1 ))
      5.000     3.100     1.000 peak   357 spectrum    2 weight  0.11000E+01 volume  0.23275E-03 ppm1      3.867 ppm2      1.547 CV     1
 OR {  357}
   (( segid "FecA" and resid 63   and name HD2 ))
   (( segid "FecA" and resid 62   and name HB1 ))
 ASSI {  358}
   (( segid "FecA" and resid 63   and name HD1 ))
   (( segid "FecA" and resid 62   and name HB2 ))
      5.300     3.500     0.700 peak   358 spectrum    2 weight  0.11000E+01 volume  0.16967E-03 ppm1      3.869 ppm2      1.705 CV     1
 OR {  358}
   (( segid "FecA" and resid 63   and name HD2 ))
   (( segid "FecA" and resid 62   and name HB2 ))
 ASSI {  359}
   (( segid "FecA" and resid 62   and name HA  ))
   (( segid "FecA" and resid 62   and name HB2 ))
      3.000     1.100     1.100 peak   359 spectrum    2 weight  0.11000E+01 volume  0.16741E-02 ppm1      5.083 ppm2      1.707 CV     1
 ASSI {  360}
   (( segid "FecA" and resid 62   and name HA  ))
   (( segid "FecA" and resid 62   and name HB1 ))
      2.800     0.900     0.900 peak   360 spectrum    2 weight  0.11000E+01 volume  0.23855E-02 ppm1      5.082 ppm2      1.550 CV     1
 ASSI {  362}
   (  segid "FecA" and resid 27   and name HG1%)
   (( segid "FecA" and resid 27   and name HB  ))
      2.500     0.800     0.800 peak   362 spectrum    2 weight  0.11000E+01 volume  0.53774E-02 ppm1      0.827 ppm2      2.059 CV     1
 ASSI {  364}
   (  segid "FecA" and resid 3    and name HG2%)
   (( segid "FecA" and resid 3    and name HB  ))
      2.300     0.600     0.600 peak   364 spectrum    2 weight  0.11000E+01 volume  0.97538E-02 ppm1      0.846 ppm2      1.928 CV     1
 ASSI {  365}
   (  segid "FecA" and resid 32   and name HG2%)
   (( segid "FecA" and resid 35   and name HB1 ))
      3.400     3.400     2.600 peak   365 spectrum    2 weight  0.11000E+01 volume  0.16233E-02 ppm1      0.839 ppm2      1.801 CV     1
 ASSI {  366}
   (( segid "FecA" and resid 10   and name HB1 ))
   (( segid "FecA" and resid 35   and name HB2 ))
      4.600     2.600     1.400 peak   366 spectrum    2 weight  0.11000E+01 volume  0.25178E-03 ppm1      1.095 ppm2      1.925 CV     1
 ASSI {  367}
   (( segid "FecA" and resid 10   and name HB1 ))
   (( segid "FecA" and resid 35   and name HB1 ))
      4.400     2.400     1.600 peak   367 spectrum    2 weight  0.11000E+01 volume  0.12431E-03 ppm1      1.090 ppm2      1.820 CV     1
 ASSI {  368}
   (( segid "FecA" and resid 35   and name HG1 ))
   (( segid "FecA" and resid 35   and name HB2 ))
      2.500     2.500     3.500 peak   368 spectrum    2 weight  0.11000E+01 volume  0.44330E-02 ppm1      1.404 ppm2      1.924 CV     1
 OR {  368}
   (( segid "FecA" and resid 35   and name HG1 ))
   (( segid "FecA" and resid 35   and name HB1 ))
 OR {  368}
   (( segid "FecA" and resid 35   and name HG2 ))
   (( segid "FecA" and resid 35   and name HB2 ))
 OR {  368}
   (( segid "FecA" and resid 35   and name HG2 ))
   (( segid "FecA" and resid 35   and name HB1 ))
 ASSI {  370}
   (( segid "FecA" and resid 35   and name HB1 ))
   (( segid "FecA" and resid 35   and name HB2 ))
      1.600     0.300     0.600 peak   370 spectrum    2 weight  0.11000E+01 volume  0.25580E-01 ppm1      1.810 ppm2      1.931 CV     1
 ASSI {  371}
   (( segid "FecA" and resid 3    and name HA  ))
   (( segid "FecA" and resid 3    and name HB  ))
      2.600     0.800     0.800 peak   371 spectrum    2 weight  0.11000E+01 volume  0.41396E-02 ppm1      4.141 ppm2      1.927 CV     1
 ASSI {  372}
   (( segid "FecA" and resid 35   and name HA  ))
   (( segid "FecA" and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   372 spectrum    2 weight  0.11000E+01 volume  0.16884E-02 ppm1      4.595 ppm2      1.947 CV     1
 ASSI {  373}
   (( segid "FecA" and resid 35   and name HA  ))
   (( segid "FecA" and resid 35   and name HB1 ))
      2.900     1.000     1.000 peak   373 spectrum    2 weight  0.11000E+01 volume  0.28060E-02 ppm1      4.592 ppm2      1.807 CV     1
 ASSI {  375}
   (( segid "FecA" and resid 16   and name HB1 ))
   (( segid "FecA" and resid 16   and name HG1 ))
      2.200     0.600     0.600 peak   375 spectrum    2 weight  0.11000E+01 volume  0.11214E-01 ppm1      2.064 ppm2      2.356 CV     1
 ASSI {  376}
   (  segid "FecA" and resid 5    and name HD1%)
   (( segid "FecA" and resid 16   and name HG1 ))
      3.500     3.500     2.500 peak   376 spectrum    2 weight  0.11000E+01 volume  0.10199E-02 ppm1      0.714 ppm2      2.357 CV     1
 ASSI {  377}
   (( segid "FecA" and resid 16   and name HA  ))
   (( segid "FecA" and resid 16   and name HG1 ))
      3.400     1.500     1.500 peak   377 spectrum    2 weight  0.11000E+01 volume  0.27027E-02 ppm1      4.113 ppm2      2.361 CV     1
 ASSI {  378}
   (( segid "FecA" and resid 69   and name HB2 ))
   (( segid "FecA" and resid 69   and name HB1 ))
      1.800     0.400     0.400 peak   378 spectrum    2 weight  0.11000E+01 volume  0.12129E-01 ppm1      3.066 ppm2      2.825 CV     1
 ASSI {  380}
   (  segid "FecA" and resid 61   and name HG2%)
   (( segid "FecA" and resid 69   and name HB2 ))
      3.400     1.500     1.500 peak   380 spectrum    2 weight  0.11000E+01 volume  0.16225E-02 ppm1      0.913 ppm2      3.068 CV     1
 ASSI {  381}
   (  segid "FecA" and resid 61   and name HG2%)
   (( segid "FecA" and resid 69   and name HB1 ))
      2.900     1.000     1.000 peak   381 spectrum    2 weight  0.11000E+01 volume  0.19202E-02 ppm1      0.913 ppm2      2.821 CV     1
 ASSI {  382}
   (  segid "FecA" and resid 50   and name HD1%)
   (( segid "FecA" and resid 69   and name HB1 ))
      5.100     3.300     0.900 peak   382 spectrum    2 weight  0.11000E+01 volume  0.72634E-04 ppm1     -0.228 ppm2      2.832 CV     1
 ASSI {  385}
   (( segid "FecA" and resid 16   and name HG1 ))
   (( segid "FecA" and resid 16   and name HG2 ))
      1.700     0.400     0.500 peak   385 spectrum    2 weight  0.11000E+01 volume  0.17341E-01 ppm1      2.363 ppm2      2.673 CV     1
 ASSI {  386}
   (( segid "FecA" and resid 16   and name HB1 ))
   (( segid "FecA" and resid 16   and name HG2 ))
      3.400     1.400     1.400 peak   386 spectrum    2 weight  0.11000E+01 volume  0.13943E-02 ppm1      2.069 ppm2      2.674 CV     1
 ASSI {  387}
   (( segid "FecA" and resid 16   and name HA  ))
   (( segid "FecA" and resid 16   and name HG2 ))
      3.300     1.300     1.300 peak   387 spectrum    2 weight  0.11000E+01 volume  0.10879E-02 ppm1      4.112 ppm2      2.672 CV     1
 ASSI {  388}
   (( segid "FecA" and resid 47   and name HG2 ))
   (( segid "FecA" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   388 spectrum    2 weight  0.11000E+01 volume  0.41609E-02 ppm1      2.155 ppm2      3.281 CV     1
 OR {  388}
   (( segid "FecA" and resid 47   and name HG1 ))
   (( segid "FecA" and resid 47   and name HA  ))
 ASSI {  389}
   (( segid "FecA" and resid 47   and name HB2 ))
   (( segid "FecA" and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   389 spectrum    2 weight  0.11000E+01 volume  0.31373E-02 ppm1      2.085 ppm2      3.282 CV     1
 ASSI {  390}
   (( segid "FecA" and resid 47   and name HB1 ))
   (( segid "FecA" and resid 47   and name HA  ))
      2.900     1.100     1.100 peak   390 spectrum    2 weight  0.11000E+01 volume  0.22118E-02 ppm1      1.984 ppm2      3.279 CV     1
 ASSI {  392}
   (  segid "FecA" and resid 46   and name HG2%)
   (( segid "FecA" and resid 47   and name HA  ))
      5.900     5.900     0.100 peak   392 spectrum    2 weight  0.11000E+01 volume  0.20715E-03 ppm1      0.894 ppm2      3.275 CV     1
 ASSI {  393}
   (  segid "FecA" and resid 50   and name HD1%)
   (( segid "FecA" and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   393 spectrum    2 weight  0.11000E+01 volume  0.13655E-02 ppm1     -0.225 ppm2      3.284 CV     1
 ASSI {  394}
   (  segid "FecA" and resid 46   and name HG1%)
   (( segid "FecA" and resid 47   and name HA  ))
      3.700     1.700     1.700 peak   394 spectrum    2 weight  0.11000E+01 volume  0.71835E-03 ppm1     -0.388 ppm2      3.294 CV     1
 ASSI {  395}
   (( segid "FecA" and resid 2    and name HA  ))
   (( segid "FecA" and resid 2    and name HG2 ))
      3.000     1.100     1.100 peak   395 spectrum    2 weight  0.11000E+01 volume  0.26682E-02 ppm1      4.406 ppm2      2.304 CV     1
 OR {  395}
   (( segid "FecA" and resid 2    and name HA  ))
   (( segid "FecA" and resid 2    and name HG1 ))
 ASSI {  397}
   (  segid "FecA" and resid 61   and name HG2%)
   (( segid "FecA" and resid 61   and name HB  ))
      2.400     0.700     0.700 peak   397 spectrum    2 weight  0.11000E+01 volume  0.56783E-02 ppm1      0.901 ppm2      2.032 CV     1
 ASSI {  398}
   (  segid "FecA" and resid 54   and name HD1%)
   (( segid "FecA" and resid 61   and name HB  ))
      3.700     1.700     1.700 peak   398 spectrum    2 weight  0.11000E+01 volume  0.71383E-03 ppm1      0.651 ppm2      2.038 CV     1
 ASSI {  399}
   (( segid "FecA" and resid 52   and name HB1 ))
   (( segid "FecA" and resid 52   and name HG1 ))
      2.300     0.700     0.700 peak   399 spectrum    2 weight  0.11000E+01 volume  0.65436E-02 ppm1      1.779 ppm2      2.125 CV     1
 ASSI {  400}
   (( segid "FecA" and resid 52   and name HB1 ))
   (( segid "FecA" and resid 52   and name HG2 ))
      2.800     1.000     1.000 peak   400 spectrum    2 weight  0.11000E+01 volume  0.47475E-02 ppm1      1.778 ppm2      2.276 CV     1
 ASSI {  401}
   (  segid "FecA" and resid 40   and name HD1%)
   (( segid "FecA" and resid 52   and name HG2 ))
      3.800     1.800     1.800 peak   401 spectrum    2 weight  0.11000E+01 volume  0.11737E-02 ppm1      0.013 ppm2      2.281 CV     1
 ASSI {  402}
   (  segid "FecA" and resid 40   and name HD1%)
   (( segid "FecA" and resid 52   and name HG1 ))
      3.300     1.400     1.400 peak   402 spectrum    2 weight  0.11000E+01 volume  0.80677E-03 ppm1      0.015 ppm2      2.132 CV     1
 ASSI {  403}
   (( segid "FecA" and resid 52   and name HA  ))
   (( segid "FecA" and resid 52   and name HG1 ))
      4.800     2.900     1.200 peak   403 spectrum    2 weight  0.11000E+01 volume  0.23699E-03 ppm1      4.049 ppm2      2.131 CV     1
 ASSI {  404}
   (( segid "FecA" and resid 52   and name HA  ))
   (( segid "FecA" and resid 52   and name HG2 ))
      5.400     3.600     0.600 peak   404 spectrum    2 weight  0.11000E+01 volume  0.71119E-04 ppm1      4.048 ppm2      2.279 CV     1
 ASSI {  405}
   (( segid "FecA" and resid 2    and name HB2 ))
   (( segid "FecA" and resid 2    and name HG2 ))
      2.200     0.600     0.600 peak   405 spectrum    2 weight  0.11000E+01 volume  0.18928E-01 ppm1      1.996 ppm2      2.301 CV     1
 ASSI {  408}
   (( segid "FecA" and resid 20   and name HB1 ))
   (( segid "FecA" and resid 20   and name HA  ))
      2.600     0.800     0.800 peak   408 spectrum    2 weight  0.11000E+01 volume  0.53708E-02 ppm1      3.299 ppm2      4.264 CV     1
 OR {  408}
   (( segid "FecA" and resid 20   and name HB2 ))
   (( segid "FecA" and resid 20   and name HA  ))
 ASSI {  409}
   (( segid "FecA" and resid 20   and name HB1 ))
   (( segid "FecA" and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   409 spectrum    2 weight  0.11000E+01 volume  0.35366E-02 ppm1      3.299 ppm2      4.493 CV     1
 OR {  409}
   (( segid "FecA" and resid 20   and name HB2 ))
   (( segid "FecA" and resid 17   and name HA  ))
! ASSI {  413}
!   (( segid "FecA" and resid 23   and name HZ  ))
!   (( segid "FecA" and resid 17   and name HA  ))
!      3.400     3.400     2.600 peak   413 spectrum    2 weight  0.11000E+01 volume  0.28094E-02 ppm1      6.808 ppm2      4.492 CV     1
! ASSI {  414}
!   (( segid "FecA" and resid 20   and name HD2 ))
!   (( segid "FecA" and resid 17   and name HA  ))
!      3.000     3.000     3.000 peak   414 spectrum    2 weight  0.11000E+01 volume  0.28901E-02 ppm1      7.059 ppm2      4.487 CV     1
 ASSI {  415}
   (( segid "FecA" and resid 36   and name HA  ))
   (( segid "FecA" and resid 9    and name HA  ))
      2.200     0.600     0.600 peak   415 spectrum    2 weight  0.11000E+01 volume  0.61403E-02 ppm1      4.757 ppm2      4.404 CV     1
 ASSI {  417}
   (( segid "FecA" and resid 9    and name HB1 ))
   (( segid "FecA" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   417 spectrum    2 weight  0.11000E+01 volume  0.42042E-02 ppm1      4.027 ppm2      4.400 CV     1
 ASSI {  418}
   (( segid "FecA" and resid 8    and name HA1 ))
   (( segid "FecA" and resid 9    and name HA  ))
      3.700     1.700     1.700 peak   418 spectrum    2 weight  0.11000E+01 volume  0.22085E-02 ppm1      3.926 ppm2      4.409 CV     1
 ASSI {  419}
   (( segid "FecA" and resid 70   and name HB  ))
   (( segid "FecA" and resid 70   and name HA  ))
      2.400     0.700     0.700 peak   419 spectrum    2 weight  0.11000E+01 volume  0.56408E-02 ppm1      4.156 ppm2      5.185 CV     1
 ASSI {  420}
   (  segid "FecA" and resid 70   and name HG2%)
   (( segid "FecA" and resid 70   and name HA  ))
      3.600     1.600     1.600 peak   420 spectrum    2 weight  0.11000E+01 volume  0.13532E-02 ppm1      1.205 ppm2      5.185 CV     1
 ASSI {  421}
   (  segid "FecA" and resid 25   and name HD2%)
   (( segid "FecA" and resid 70   and name HA  ))
      3.400     1.500     1.500 peak   421 spectrum    2 weight  0.11000E+01 volume  0.15803E-02 ppm1      0.912 ppm2      5.184 CV     1
 ASSI {  422}
   (  segid "FecA" and resid 71   and name HD2%)
   (( segid "FecA" and resid 70   and name HA  ))
      4.000     4.000     2.000 peak   422 spectrum    2 weight  0.11000E+01 volume  0.14976E-03 ppm1      0.796 ppm2      5.185 CV     1
 ASSI {  423}
   (  segid "FecA" and resid 54   and name HD1%)
   (( segid "FecA" and resid 51   and name HA  ))
      3.400     1.400     1.400 peak   423 spectrum    2 weight  0.11000E+01 volume  0.13472E-02 ppm1      0.652 ppm2      3.809 CV     1
 ASSI {  424}
   (( segid "FecA" and resid 54   and name HB2 ))
   (( segid "FecA" and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    2 weight  0.11000E+01 volume  0.20377E-02 ppm1      1.834 ppm2      3.810 CV     1
 ASSI {  427}
   (( segid "FecA" and resid 51   and name HG1 ))
   (( segid "FecA" and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   427 spectrum    2 weight  0.11000E+01 volume  0.12273E-02 ppm1      2.414 ppm2      3.811 CV     1
 ASSI {  428}
   (( segid "FecA" and resid 51   and name HG2 ))
   (( segid "FecA" and resid 51   and name HA  ))
      5.500     3.800     0.500 peak   428 spectrum    2 weight  0.11000E+01 volume  0.10019E-03 ppm1      2.514 ppm2      3.812 CV     1
 ASSI {  431}
   (( segid "FecA" and resid 5    and name HG12))
   (( segid "FecA" and resid 5    and name HA  ))
      2.800     1.000     1.000 peak   431 spectrum    2 weight  0.11000E+01 volume  0.28981E-02 ppm1      1.192 ppm2      4.214 CV     1
 OR {  431}
   (( segid "FecA" and resid 5    and name HG11))
   (( segid "FecA" and resid 5    and name HA  ))
 ASSI {  432}
   (( segid "FecA" and resid 5    and name HB  ))
   (( segid "FecA" and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   432 spectrum    2 weight  0.11000E+01 volume  0.14888E-02 ppm1      1.604 ppm2      4.209 CV     1
 ASSI {  433}
   (  segid "FecA" and resid 19   and name HB% )
   (( segid "FecA" and resid 16   and name HA  ))
      2.900     1.100     1.100 peak   433 spectrum    2 weight  0.11000E+01 volume  0.28133E-02 ppm1      1.467 ppm2      4.118 CV     1
 ASSI {  434}
   (( segid "FecA" and resid 16   and name HB1 ))
   (( segid "FecA" and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   434 spectrum    2 weight  0.11000E+01 volume  0.30431E-02 ppm1      2.059 ppm2      4.113 CV     1
 ASSI {  435}
   (( segid "FecA" and resid 16   and name HB2 ))
   (( segid "FecA" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak   435 spectrum    2 weight  0.11000E+01 volume  0.50579E-02 ppm1      2.364 ppm2      4.117 CV     1
 ASSI {  438}
   (( segid "FecA" and resid 12   and name HB2 ))
   (( segid "FecA" and resid 12   and name HA  ))
      2.600     0.800     0.800 peak   438 spectrum    2 weight  0.11000E+01 volume  0.36601E-02 ppm1      1.904 ppm2      4.054 CV     1
 ASSI {  440}
   (( segid "FecA" and resid 12   and name HD1 ))
   (( segid "FecA" and resid 12   and name HA  ))
      4.700     2.800     1.300 peak   440 spectrum    2 weight  0.11000E+01 volume  0.28721E-03 ppm1      1.729 ppm2      4.052 CV     1
 OR {  440}
   (( segid "FecA" and resid 12   and name HD2 ))
   (( segid "FecA" and resid 12   and name HA  ))
 ASSI {  443}
   (( segid "FecA" and resid 38   and name HA  ))
   (( segid "FecA" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak   443 spectrum    2 weight  0.11000E+01 volume  0.31610E-02 ppm1      4.915 ppm2      2.347 CV     1
 ASSI {  445}
   (( segid "FecA" and resid 7    and name HB1 ))
   (( segid "FecA" and resid 7    and name HB2 ))
      1.700     0.300     0.500 peak   445 spectrum    2 weight  0.11000E+01 volume  0.19823E-01 ppm1      1.921 ppm2      2.339 CV     1
 ASSI {  447}
   (( segid "FecA" and resid 7    and name HD1 ))
   (( segid "FecA" and resid 7    and name HB1 ))
      4.700     2.700     1.300 peak   447 spectrum    2 weight  0.11000E+01 volume  0.27281E-03 ppm1      3.639 ppm2      1.932 CV     1
 ASSI {  448}
   (( segid "FecA" and resid 7    and name HD2 ))
   (( segid "FecA" and resid 7    and name HB1 ))
      5.300     3.500     0.700 peak   448 spectrum    2 weight  0.11000E+01 volume  0.23755E-03 ppm1      3.803 ppm2      1.934 CV     1
 ASSI {  450}
   (( segid "FecA" and resid 38   and name HA  ))
   (( segid "FecA" and resid 7    and name HB1 ))
      4.700     2.800     1.300 peak   450 spectrum    2 weight  0.11000E+01 volume  0.14047E-03 ppm1      4.913 ppm2      1.926 CV     1
 ASSI {  452}
   (( segid "FecA" and resid 76   and name HA  ))
   (( segid "FecA" and resid 77   and name HB1 ))
      3.900     1.900     1.900 peak   452 spectrum    2 weight  0.11000E+01 volume  0.16114E-02 ppm1      4.627 ppm2      1.886 CV     1
 ASSI {  453}
   (( segid "FecA" and resid 75   and name HB2 ))
   (( segid "FecA" and resid 75   and name HB1 ))
      2.300     0.600     0.600 peak   453 spectrum    2 weight  0.11000E+01 volume  0.29968E-02 ppm1      2.175 ppm2      2.379 CV     1
 ASSI {  455}
   (( segid "FecA" and resid 12   and name HA  ))
   (( segid "FecA" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   455 spectrum    2 weight  0.11000E+01 volume  0.74970E-02 ppm1      4.046 ppm2      1.882 CV     1
 OR {  455}
   (( segid "FecA" and resid 12   and name HA  ))
   (( segid "FecA" and resid 12   and name HB1 ))
 ASSI {  456}
   (( segid "FecA" and resid 77   and name HB2 ))
   (( segid "FecA" and resid 77   and name HB1 ))
      1.600     0.300     0.600 peak   456 spectrum    2 weight  0.11000E+01 volume  0.20104E-01 ppm1      2.284 ppm2      1.899 CV     1
 ASSI {  457}
   (( segid "FecA" and resid 75   and name HB1 ))
   (( segid "FecA" and resid 77   and name HB1 ))
      2.800     2.800     3.200 peak   457 spectrum    2 weight  0.11000E+01 volume  0.15900E-01 ppm1      2.377 ppm2      1.890 CV     1
 ASSI {  458}
   (( segid "FecA" and resid 12   and name HG1 ))
   (( segid "FecA" and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   458 spectrum    2 weight  0.11000E+01 volume  0.35156E-02 ppm1      1.388 ppm2      1.887 CV     1
 OR {  458}
   (( segid "FecA" and resid 12   and name HG1 ))
   (( segid "FecA" and resid 12   and name HB1 ))
 ASSI {  459}
   (( segid "FecA" and resid 12   and name HG2 ))
   (( segid "FecA" and resid 12   and name HB1 ))
      2.600     0.900     0.900 peak   459 spectrum    2 weight  0.11000E+01 volume  0.35326E-02 ppm1      1.523 ppm2      1.877 CV     1
 OR {  459}
   (( segid "FecA" and resid 12   and name HG2 ))
   (( segid "FecA" and resid 12   and name HB2 ))
 ASSI {  460}
   (( segid "FecA" and resid 12   and name HD1 ))
   (( segid "FecA" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   460 spectrum    2 weight  0.11000E+01 volume  0.10494E-01 ppm1      1.733 ppm2      1.859 CV     1
 OR {  460}
   (( segid "FecA" and resid 12   and name HD2 ))
   (( segid "FecA" and resid 12   and name HB2 ))
 OR {  460}
   (( segid "FecA" and resid 12   and name HD1 ))
   (( segid "FecA" and resid 12   and name HB1 ))
 OR {  460}
   (( segid "FecA" and resid 12   and name HD2 ))
   (( segid "FecA" and resid 12   and name HB1 ))
 ASSI {  461}
   (( segid "FecA" and resid 73   and name HB2 ))
   (( segid "FecA" and resid 73   and name HB1 ))
      1.500     0.300     0.700 peak   461 spectrum    2 weight  0.11000E+01 volume  0.37557E-01 ppm1      2.023 ppm2      2.272 CV     1
 ASSI {  462}
   (( segid "FecA" and resid 73   and name HG1 ))
   (( segid "FecA" and resid 73   and name HB1 ))
      1.800     1.800     4.200 peak   462 spectrum    2 weight  0.11000E+01 volume  0.26459E-01 ppm1      1.898 ppm2      2.287 CV     1
 ASSI {  464}
   (( segid "FecA" and resid 72   and name HA  ))
   (( segid "FecA" and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak   464 spectrum    2 weight  0.11000E+01 volume  0.38663E-02 ppm1      4.963 ppm2      1.992 CV     1
 ASSI {  467}
   (( segid "FecA" and resid 62   and name HG1 ))
   (( segid "FecA" and resid 60   and name HB1 ))
      4.100     2.100     1.900 peak   467 spectrum    2 weight  0.11000E+01 volume  0.35238E-03 ppm1      1.183 ppm2      2.028 CV     1
 ASSI {  471}
   (( segid "FecA" and resid 75   and name HD2 ))
   (( segid "FecA" and resid 77   and name HB1 ))
      2.300     0.700     0.700 peak   471 spectrum    2 weight  0.11000E+01 volume  0.54308E-02 ppm1      3.750 ppm2      1.905 CV     1
 ASSI {  475}
   (  segid "FecA" and resid 46   and name HG2%)
   (( segid "FecA" and resid 46   and name HB  ))
      2.300     0.700     0.700 peak   475 spectrum    2 weight  0.11000E+01 volume  0.61896E-02 ppm1      0.864 ppm2      1.640 CV     1
 ASSI {  480}
   (( segid "FecA" and resid 37   and name HB2 ))
   (( segid "FecA" and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   480 spectrum    2 weight  0.11000E+01 volume  0.50689E-02 ppm1      3.765 ppm2      3.991 CV     1
 ASSI {  482}
   (( segid "FecA" and resid 10   and name HB2 ))
   (( segid "FecA" and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   482 spectrum    2 weight  0.11000E+01 volume  0.20437E-02 ppm1      1.724 ppm2      3.991 CV     1
 ASSI {  483}
   (( segid "FecA" and resid 10   and name HG  ))
   (( segid "FecA" and resid 10   and name HA  ))
      4.100     2.100     1.900 peak   483 spectrum    2 weight  0.11000E+01 volume  0.28149E-03 ppm1      1.499 ppm2      3.992 CV     1
 ASSI {  485}
   (( segid "FecA" and resid 10   and name HB1 ))
   (( segid "FecA" and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   485 spectrum    2 weight  0.11000E+01 volume  0.36743E-02 ppm1      1.096 ppm2      3.987 CV     1
 ASSI {  486}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 10   and name HA  ))
      2.400     0.700     0.700 peak   486 spectrum    2 weight  0.11000E+01 volume  0.63047E-02 ppm1      0.917 ppm2      3.986 CV     1
 ASSI {  487}
   (  segid "FecA" and resid 10   and name HD2%)
   (( segid "FecA" and resid 10   and name HA  ))
      4.000     2.000     2.000 peak   487 spectrum    2 weight  0.11000E+01 volume  0.11416E-02 ppm1      0.840 ppm2      3.988 CV     1
 ASSI {  490}
   (  segid "FecA" and resid 10   and name HD2%)
   (( segid "FecA" and resid 11   and name HA  ))
      3.600     3.600     2.400 peak   490 spectrum    2 weight  0.11000E+01 volume  0.13426E-02 ppm1      0.840 ppm2      4.089 CV     1
 ASSI {  491}
   (  segid "FecA" and resid 14   and name HD1%)
   (( segid "FecA" and resid 11   and name HA  ))
      3.000     3.000     3.000 peak   491 spectrum    2 weight  0.11000E+01 volume  0.21569E-02 ppm1      0.759 ppm2      4.090 CV     1
 ASSI {  492}
   (  segid "FecA" and resid 53   and name HD1%)
   (( segid "FecA" and resid 14   and name HA  ))
      3.200     1.300     1.300 peak   492 spectrum    2 weight  0.11000E+01 volume  0.17504E-02 ppm1      0.455 ppm2      3.896 CV     1
 ASSI {  493}
   (  segid "FecA" and resid 53   and name HD2%)
   (( segid "FecA" and resid 14   and name HA  ))
      3.600     3.600     2.400 peak   493 spectrum    2 weight  0.11000E+01 volume  0.28105E-03 ppm1      0.537 ppm2      3.916 CV     1
 ASSI {  494}
   (  segid "FecA" and resid 14   and name HD1%)
   (( segid "FecA" and resid 14   and name HA  ))
      3.100     3.100     2.900 peak   494 spectrum    2 weight  0.11000E+01 volume  0.78845E-02 ppm1      0.742 ppm2      3.902 CV     1
 ASSI {  495}
   (( segid "FecA" and resid 14   and name HB1 ))
   (( segid "FecA" and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   495 spectrum    2 weight  0.11000E+01 volume  0.37823E-02 ppm1      1.320 ppm2      3.902 CV     1
 ASSI {  496}
   (( segid "FecA" and resid 14   and name HG  ))
   (( segid "FecA" and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   496 spectrum    2 weight  0.11000E+01 volume  0.16586E-02 ppm1      1.839 ppm2      3.905 CV     1
 ASSI {  497}
   (( segid "FecA" and resid 14   and name HB2 ))
   (( segid "FecA" and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   497 spectrum    2 weight  0.11000E+01 volume  0.14941E-02 ppm1      1.989 ppm2      3.898 CV     1
 ASSI {  498}
   (( segid "FecA" and resid 17   and name HB1 ))
   (( segid "FecA" and resid 14   and name HA  ))
      3.900     1.900     1.900 peak   498 spectrum    2 weight  0.11000E+01 volume  0.42092E-03 ppm1      2.998 ppm2      3.894 CV     1
 ASSI {  499}
   (( segid "FecA" and resid 17   and name HB2 ))
   (( segid "FecA" and resid 14   and name HA  ))
      4.300     2.300     1.700 peak   499 spectrum    2 weight  0.11000E+01 volume  0.14281E-03 ppm1      3.091 ppm2      3.896 CV     1
 ASSI {  500}
   (( segid "FecA" and resid 53   and name HB2 ))
   (( segid "FecA" and resid 50   and name HA  ))
      2.500     0.800     0.800 peak   500 spectrum    2 weight  0.11000E+01 volume  0.29091E-02 ppm1      1.811 ppm2      3.716 CV     1
 ASSI {  501}
   (( segid "FecA" and resid 50   and name HB2 ))
   (( segid "FecA" and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   501 spectrum    2 weight  0.11000E+01 volume  0.16684E-02 ppm1      1.673 ppm2      3.704 CV     1
 ASSI {  502}
   (( segid "FecA" and resid 50   and name HG  ))
   (( segid "FecA" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   502 spectrum    2 weight  0.11000E+01 volume  0.17613E-02 ppm1      1.401 ppm2      3.710 CV     1
 ASSI {  503}
   (( segid "FecA" and resid 50   and name HB1 ))
   (( segid "FecA" and resid 50   and name HA  ))
      2.600     0.800     0.800 peak   503 spectrum    2 weight  0.11000E+01 volume  0.25337E-02 ppm1      0.952 ppm2      3.715 CV     1
 ASSI {  504}
   (  segid "FecA" and resid 50   and name HD2%)
   (( segid "FecA" and resid 50   and name HA  ))
      2.500     2.500     3.500 peak   504 spectrum    2 weight  0.11000E+01 volume  0.59060E-02 ppm1      0.648 ppm2      3.711 CV     1
 ASSI {  505}
   (  segid "FecA" and resid 53   and name HD1%)
   (( segid "FecA" and resid 50   and name HA  ))
      2.900     1.000     1.000 peak   505 spectrum    2 weight  0.11000E+01 volume  0.18234E-02 ppm1      0.455 ppm2      3.713 CV     1
 ASSI {  506}
   (( segid "FecA" and resid 33   and name HB2 ))
   (( segid "FecA" and resid 33   and name HA  ))
      2.300     0.700     0.700 peak   506 spectrum    2 weight  0.11000E+01 volume  0.63141E-02 ppm1      1.979 ppm2      4.150 CV     1
 ASSI {  507}
   (( segid "FecA" and resid 33   and name HB1 ))
   (( segid "FecA" and resid 33   and name HA  ))
      2.900     1.100     1.100 peak   507 spectrum    2 weight  0.11000E+01 volume  0.30430E-02 ppm1      1.787 ppm2      4.155 CV     1
 ASSI {  508}
   (( segid "FecA" and resid 33   and name HG2 ))
   (( segid "FecA" and resid 33   and name HA  ))
      3.100     1.200     1.200 peak   508 spectrum    2 weight  0.11000E+01 volume  0.22904E-02 ppm1      1.706 ppm2      4.152 CV     1
 ASSI {  509}
   (( segid "FecA" and resid 33   and name HG1 ))
   (( segid "FecA" and resid 33   and name HA  ))
      4.100     2.100     1.900 peak   509 spectrum    2 weight  0.11000E+01 volume  0.27856E-03 ppm1      1.614 ppm2      4.154 CV     1
 ASSI {  510}
   (( segid "FecA" and resid 52   and name HB1 ))
   (( segid "FecA" and resid 52   and name HA  ))
      2.700     0.900     0.900 peak   510 spectrum    2 weight  0.11000E+01 volume  0.32305E-02 ppm1      1.771 ppm2      4.043 CV     1
 ASSI {  511}
   (( segid "FecA" and resid 52   and name HB2 ))
   (( segid "FecA" and resid 52   and name HA  ))
      2.600     0.900     0.900 peak   511 spectrum    2 weight  0.11000E+01 volume  0.44178E-02 ppm1      1.982 ppm2      4.058 CV     1
 ASSI {  512}
   (( segid "FecA" and resid 55   and name HB2 ))
   (( segid "FecA" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   512 spectrum    2 weight  0.11000E+01 volume  0.13372E-02 ppm1      2.880 ppm2      4.052 CV     1
 ASSI {  514}
   (  segid "FecA" and resid 53   and name HD2%)
   (( segid "FecA" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   514 spectrum    2 weight  0.11000E+01 volume  0.55358E-02 ppm1      0.540 ppm2      3.796 CV     1
 ASSI {  515}
   (( segid "FecA" and resid 53   and name HB1 ))
   (( segid "FecA" and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   515 spectrum    2 weight  0.11000E+01 volume  0.30521E-02 ppm1      1.117 ppm2      3.796 CV     1
 ASSI {  516}
   (( segid "FecA" and resid 53   and name HG  ))
   (( segid "FecA" and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   516 spectrum    2 weight  0.11000E+01 volume  0.16061E-02 ppm1      1.384 ppm2      3.797 CV     1
 ASSI {  519}
   (( segid "FecA" and resid 69   and name HB2 ))
   (( segid "FecA" and resid 69   and name HA  ))
      3.000     1.100     1.100 peak   519 spectrum    2 weight  0.11000E+01 volume  0.26401E-02 ppm1      3.070 ppm2      5.077 CV     1
 ASSI {  520}
   (( segid "FecA" and resid 69   and name HB1 ))
   (( segid "FecA" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   520 spectrum    2 weight  0.11000E+01 volume  0.13528E-02 ppm1      2.812 ppm2      5.069 CV     1
 ASSI {  521}
   (( segid "FecA" and resid 64   and name HB1 ))
   (( segid "FecA" and resid 69   and name HA  ))
      5.900     4.300     0.100 peak   521 spectrum    2 weight  0.11000E+01 volume  0.18475E-03 ppm1      1.369 ppm2      5.079 CV     1
 ASSI {  522}
   (  segid "FecA" and resid 64   and name HD2%)
   (( segid "FecA" and resid 69   and name HA  ))
      6.000     4.500     0.000 peak   522 spectrum    2 weight  0.11000E+01 volume  0.76056E-04 ppm1      0.797 ppm2      5.062 CV     1
 ASSI {  524}
   (( segid "FecA" and resid 44   and name HB2 ))
   (( segid "FecA" and resid 44   and name HA  ))
      3.000     1.100     1.100 peak   524 spectrum    2 weight  0.11000E+01 volume  0.25775E-02 ppm1      3.203 ppm2      4.713 CV     1
 ASSI {  525}
   (( segid "FecA" and resid 55   and name HB1 ))
   (( segid "FecA" and resid 55   and name HA  ))
      3.300     1.300     1.300 peak   525 spectrum    2 weight  0.11000E+01 volume  0.24411E-02 ppm1      2.773 ppm2      4.518 CV     1
 ASSI {  527}
   (( segid "FecA" and resid 41   and name HA  ))
   (( segid "FecA" and resid 41   and name HB1 ))
      2.900     1.000     1.000 peak   527 spectrum    2 weight  0.11000E+01 volume  0.25353E-02 ppm1      5.465 ppm2      3.109 CV     1
 ASSI {  528}
   (( segid "FecA" and resid 41   and name HA  ))
   (( segid "FecA" and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak   528 spectrum    2 weight  0.11000E+01 volume  0.30906E-02 ppm1      5.467 ppm2      3.225 CV     1
 ASSI {  530}
   (( segid "FecA" and resid 68   and name HB2 ))
   (( segid "FecA" and resid 68   and name HA  ))
      2.900     1.000     1.000 peak   530 spectrum    2 weight  0.11000E+01 volume  0.31264E-02 ppm1      3.639 ppm2      5.718 CV     1
 ASSI {  531}
   (( segid "FecA" and resid 43   and name HA  ))
   (( segid "FecA" and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   531 spectrum    2 weight  0.11000E+01 volume  0.50824E-02 ppm1      4.959 ppm2      4.410 CV     1
 ASSI {  532}
   (( segid "FecA" and resid 2    and name HG1 ))
   (( segid "FecA" and resid 2    and name HA  ))
      3.300     1.300     1.300 peak   532 spectrum    2 weight  0.11000E+01 volume  0.19769E-02 ppm1      2.305 ppm2      4.409 CV     1
 ASSI {  533}
   (( segid "FecA" and resid 2    and name HB1 ))
   (( segid "FecA" and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   533 spectrum    2 weight  0.11000E+01 volume  0.54397E-02 ppm1      1.996 ppm2      4.410 CV     1
 OR {  533}
   (( segid "FecA" and resid 2    and name HB2 ))
   (( segid "FecA" and resid 2    and name HA  ))
 ASSI {  536}
   (  segid "FecA" and resid 18   and name HB% )
   (( segid "FecA" and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   536 spectrum    2 weight  0.11000E+01 volume  0.26429E-02 ppm1      1.019 ppm2      4.381 CV     1
 ASSI {  537}
   (  segid "FecA" and resid 31   and name HD2%)
   (( segid "FecA" and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   537 spectrum    2 weight  0.11000E+01 volume  0.65389E-02 ppm1      0.860 ppm2      4.308 CV     1
 ASSI {  538}
   (  segid "FecA" and resid 31   and name HD1%)
   (( segid "FecA" and resid 31   and name HA  ))
      5.700     4.000     0.300 peak   538 spectrum    2 weight  0.11000E+01 volume  0.26676E-03 ppm1      0.980 ppm2      4.307 CV     1
 ASSI {  540}
   (( segid "FecA" and resid 31   and name HG  ))
   (( segid "FecA" and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   540 spectrum    2 weight  0.11000E+01 volume  0.17854E-02 ppm1      1.741 ppm2      4.309 CV     1
 ASSI {  541}
   (( segid "FecA" and resid 31   and name HB2 ))
   (( segid "FecA" and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   541 spectrum    2 weight  0.11000E+01 volume  0.21581E-02 ppm1      1.955 ppm2      4.311 CV     1
 ASSI {  547}
   (( segid "FecA" and resid 33   and name HD1 ))
   (( segid "FecA" and resid 33   and name HB2 ))
      3.300     1.300     1.300 peak   547 spectrum    2 weight  0.11000E+01 volume  0.14779E-02 ppm1      3.228 ppm2      1.982 CV     1
 OR {  547}
   (( segid "FecA" and resid 33   and name HD2 ))
   (( segid "FecA" and resid 33   and name HB2 ))
 ASSI {  548}
   (( segid "FecA" and resid 33   and name HB2 ))
   (( segid "FecA" and resid 33   and name HB1 ))
      1.800     0.400     0.400 peak   548 spectrum    2 weight  0.11000E+01 volume  0.12733E-01 ppm1      1.980 ppm2      1.797 CV     1
 ASSI {  550}
   (( segid "FecA" and resid 33   and name HG2 ))
   (( segid "FecA" and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   550 spectrum    2 weight  0.11000E+01 volume  0.91226E-02 ppm1      1.712 ppm2      1.977 CV     1
 ASSI {  551}
   (( segid "FecA" and resid 33   and name HG1 ))
   (( segid "FecA" and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak   551 spectrum    2 weight  0.11000E+01 volume  0.24302E-02 ppm1      1.618 ppm2      1.977 CV     1
 ASSI {  552}
   (( segid "FecA" and resid 33   and name HG1 ))
   (( segid "FecA" and resid 33   and name HB1 ))
      2.500     0.800     0.800 peak   552 spectrum    2 weight  0.11000E+01 volume  0.80195E-02 ppm1      1.616 ppm2      1.785 CV     1
 ASSI {  556}
   (( segid "FecA" and resid 2    and name HG1 ))
   (( segid "FecA" and resid 2    and name HB2 ))
      2.200     0.600     0.600 peak   556 spectrum    2 weight  0.11000E+01 volume  0.13520E-01 ppm1      2.303 ppm2      2.012 CV     1
 OR {  556}
   (( segid "FecA" and resid 2    and name HG2 ))
   (( segid "FecA" and resid 2    and name HB1 ))
 OR {  556}
   (( segid "FecA" and resid 2    and name HG1 ))
   (( segid "FecA" and resid 2    and name HB1 ))
 OR {  556}
   (( segid "FecA" and resid 2    and name HG2 ))
   (( segid "FecA" and resid 2    and name HB2 ))
 ASSI {  557}
   (( segid "FecA" and resid 32   and name HA  ))
   (( segid "FecA" and resid 35   and name HD1 ))
      2.900     1.000     1.000 peak   557 spectrum    2 weight  0.11000E+01 volume  0.18061E-02 ppm1      4.082 ppm2      1.674 CV     1
 ASSI {  558}
   (( segid "FecA" and resid 35   and name HE1 ))
   (( segid "FecA" and resid 35   and name HD2 ))
      2.500     0.800     0.800 peak   558 spectrum    2 weight  0.11000E+01 volume  0.48188E-02 ppm1      3.154 ppm2      1.700 CV     1
 OR {  558}
   (( segid "FecA" and resid 35   and name HE2 ))
   (( segid "FecA" and resid 35   and name HD2 ))
 ASSI {  559}
   (  segid "FecA" and resid 32   and name HG2%)
   (( segid "FecA" and resid 35   and name HD2 ))
      3.400     3.400     2.600 peak   559 spectrum    2 weight  0.11000E+01 volume  0.23333E-02 ppm1      0.835 ppm2      1.695 CV     1
 ASSI {  560}
   (  segid "FecA" and resid 59   and name HD1%)
   (( segid "FecA" and resid 35   and name HD2 ))
      3.500     3.500     2.500 peak   560 spectrum    2 weight  0.11000E+01 volume  0.31240E-03 ppm1      0.712 ppm2      1.688 CV     1
 ASSI {  562}
   (( segid "FecA" and resid 78   and name HA  ))
   (( segid "FecA" and resid 78   and name HD2 ))
      5.300     5.300     0.700 peak   562 spectrum    2 weight  0.11000E+01 volume  0.14018E-03 ppm1      4.369 ppm2      1.698 CV     1
 OR {  562}
   (( segid "FecA" and resid 78   and name HA  ))
   (( segid "FecA" and resid 78   and name HD1 ))
 ASSI {  563}
   (( segid "FecA" and resid 77   and name HD2 ))
   (( segid "FecA" and resid 78   and name HD2 ))
      4.000     4.000     2.000 peak   563 spectrum    2 weight  0.11000E+01 volume  0.35581E-03 ppm1      3.787 ppm2      1.701 CV     1
 OR {  563}
   (( segid "FecA" and resid 77   and name HD2 ))
   (( segid "FecA" and resid 78   and name HD1 ))
 ASSI {  566}
   (( segid "FecA" and resid 16   and name HG2 ))
   (( segid "FecA" and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak   566 spectrum    2 weight  0.11000E+01 volume  0.35463E-02 ppm1      2.672 ppm2      2.375 CV     1
 ASSI {  568}
   (( segid "FecA" and resid 16   and name HB2 ))
   (( segid "FecA" and resid 16   and name HB1 ))
      1.600     0.300     0.600 peak   568 spectrum    2 weight  0.11000E+01 volume  0.22085E-01 ppm1      2.362 ppm2      2.070 CV     1
 ASSI {  572}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 37   and name HA  ))
      6.000     4.500     0.000 peak   572 spectrum    2 weight  0.11000E+01 volume  0.10354E-03 ppm1      0.919 ppm2      4.953 CV     1
 ASSI {  573}
   (( segid "FecA" and resid 35   and name HG1 ))
   (( segid "FecA" and resid 35   and name HA  ))
      2.700     0.900     0.900 peak   573 spectrum    2 weight  0.11000E+01 volume  0.40994E-02 ppm1      1.403 ppm2      4.597 CV     1
 ASSI {  574}
   (( segid "FecA" and resid 35   and name HD1 ))
   (( segid "FecA" and resid 35   and name HA  ))
      4.800     2.900     1.200 peak   574 spectrum    2 weight  0.11000E+01 volume  0.33319E-03 ppm1      1.661 ppm2      4.598 CV     1
 ASSI {  575}
   (( segid "FecA" and resid 35   and name HD2 ))
   (( segid "FecA" and resid 35   and name HA  ))
      2.700     0.900     0.900 peak   575 spectrum    2 weight  0.11000E+01 volume  0.24700E-02 ppm1      1.721 ppm2      4.585 CV     1
 ASSI {  580}
   (( segid "FecA" and resid 16   and name HB1 ))
   (( segid "FecA" and resid 13   and name HA  ))
      4.100     2.100     1.900 peak   580 spectrum    2 weight  0.11000E+01 volume  0.25253E-03 ppm1      2.061 ppm2      4.080 CV     1
 ASSI {  581}
   (( segid "FecA" and resid 16   and name HB2 ))
   (( segid "FecA" and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    2 weight  0.11000E+01 volume  0.21942E-02 ppm1      2.363 ppm2      4.088 CV     1
 ASSI {  582}
   (  segid "FecA" and resid 40   and name HD2%)
   (( segid "FecA" and resid 40   and name HA  ))
      4.100     2.100     1.900 peak   582 spectrum    2 weight  0.11000E+01 volume  0.15295E-02 ppm1     -0.047 ppm2      4.311 CV     1
 ASSI {  583}
   (  segid "FecA" and resid 40   and name HD1%)
   (( segid "FecA" and resid 40   and name HA  ))
      2.500     0.800     0.800 peak   583 spectrum    2 weight  0.11000E+01 volume  0.42552E-02 ppm1      0.015 ppm2      4.312 CV     1
 ASSI {  584}
   (( segid "FecA" and resid 40   and name HG  ))
   (( segid "FecA" and resid 40   and name HA  ))
      2.900     1.000     1.000 peak   584 spectrum    2 weight  0.11000E+01 volume  0.29660E-02 ppm1      0.840 ppm2      4.311 CV     1
 ASSI {  585}
   (( segid "FecA" and resid 40   and name HB1 ))
   (( segid "FecA" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   585 spectrum    2 weight  0.11000E+01 volume  0.32109E-02 ppm1      0.891 ppm2      4.313 CV     1
 ASSI {  586}
   (( segid "FecA" and resid 40   and name HB2 ))
   (( segid "FecA" and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   586 spectrum    2 weight  0.11000E+01 volume  0.17656E-02 ppm1      1.107 ppm2      4.314 CV     1
 ASSI {  587}
   (( segid "FecA" and resid 5    and name HB  ))
   (( segid "FecA" and resid 40   and name HA  ))
      5.300     3.500     0.700 peak   587 spectrum    2 weight  0.11000E+01 volume  0.19918E-03 ppm1      1.592 ppm2      4.314 CV     1
 ASSI {  592}
   (  segid "FecA" and resid 54   and name HD1%)
   (( segid "FecA" and resid 54   and name HA  ))
      4.800     2.900     1.200 peak   592 spectrum    2 weight  0.11000E+01 volume  0.14585E-03 ppm1      0.652 ppm2      4.159 CV     1
 ASSI {  593}
   (  segid "FecA" and resid 54   and name HD2%)
   (( segid "FecA" and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   593 spectrum    2 weight  0.11000E+01 volume  0.72598E-02 ppm1      0.835 ppm2      4.164 CV     1
 ASSI {  594}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 54   and name HA  ))
      3.400     3.400     2.600 peak   594 spectrum    2 weight  0.11000E+01 volume  0.10759E-02 ppm1      0.916 ppm2      4.160 CV     1
 ASSI {  595}
   (( segid "FecA" and resid 54   and name HB1 ))
   (( segid "FecA" and resid 54   and name HA  ))
      2.700     0.900     0.900 peak   595 spectrum    2 weight  0.11000E+01 volume  0.31303E-02 ppm1      1.610 ppm2      4.165 CV     1
 ASSI {  596}
   (( segid "FecA" and resid 54   and name HG  ))
   (( segid "FecA" and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   596 spectrum    2 weight  0.11000E+01 volume  0.23155E-02 ppm1      1.791 ppm2      4.161 CV     1
 ASSI {  597}
   (( segid "FecA" and resid 54   and name HB2 ))
   (( segid "FecA" and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   597 spectrum    2 weight  0.11000E+01 volume  0.27409E-02 ppm1      1.837 ppm2      4.157 CV     1
 ASSI {  598}
   (( segid "FecA" and resid 36   and name HB1 ))
   (( segid "FecA" and resid 36   and name HA  ))
      3.000     1.100     1.100 peak   598 spectrum    2 weight  0.11000E+01 volume  0.15720E-02 ppm1      1.903 ppm2      4.754 CV     1
 ASSI {  599}
   (( segid "FecA" and resid 36   and name HB2 ))
   (( segid "FecA" and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   599 spectrum    2 weight  0.11000E+01 volume  0.29665E-02 ppm1      2.143 ppm2      4.754 CV     1
 ASSI {  600}
   (( segid "FecA" and resid 36   and name HG1 ))
   (( segid "FecA" and resid 36   and name HA  ))
      4.300     2.300     1.700 peak   600 spectrum    2 weight  0.11000E+01 volume  0.28221E-03 ppm1      2.265 ppm2      4.755 CV     1
 ASSI {  604}
   (( segid "FecA" and resid 64   and name HB1 ))
   (( segid "FecA" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   604 spectrum    2 weight  0.11000E+01 volume  0.34873E-02 ppm1      1.358 ppm2      4.446 CV     1
 ASSI {  605}
   (( segid "FecA" and resid 64   and name HB2 ))
   (( segid "FecA" and resid 64   and name HA  ))
      2.600     0.800     0.800 peak   605 spectrum    2 weight  0.11000E+01 volume  0.41709E-02 ppm1      1.443 ppm2      4.452 CV     1
 ASSI {  609}
   (( segid "FecA" and resid 38   and name HB1 ))
   (( segid "FecA" and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   609 spectrum    2 weight  0.11000E+01 volume  0.15906E-02 ppm1      2.902 ppm2      4.918 CV     1
 ASSI {  612}
   (( segid "FecA" and resid 60   and name HB1 ))
   (( segid "FecA" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak   612 spectrum    2 weight  0.11000E+01 volume  0.92882E-02 ppm1      2.016 ppm2      4.901 CV     1
 ASSI {  613}
   (( segid "FecA" and resid 60   and name HB2 ))
   (( segid "FecA" and resid 60   and name HA  ))
      2.600     0.800     0.800 peak   613 spectrum    2 weight  0.11000E+01 volume  0.46902E-02 ppm1      2.111 ppm2      4.882 CV     1
 ASSI {  616}
   (( segid "FecA" and resid 43   and name HB1 ))
   (( segid "FecA" and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   616 spectrum    2 weight  0.11000E+01 volume  0.42122E-02 ppm1      2.313 ppm2      4.955 CV     1
 ASSI {  617}
   (( segid "FecA" and resid 73   and name HD1 ))
   (( segid "FecA" and resid 72   and name HA  ))
      2.000     0.500     0.500 peak   617 spectrum    2 weight  0.11000E+01 volume  0.11032E-01 ppm1      3.763 ppm2      4.967 CV     1
 ASSI {  619}
   (( segid "FecA" and resid 63   and name HD2 ))
   (( segid "FecA" and resid 62   and name HA  ))
      2.200     0.600     0.600 peak   619 spectrum    2 weight  0.11000E+01 volume  0.87863E-02 ppm1      3.867 ppm2      5.085 CV     1
 OR {  619}
   (( segid "FecA" and resid 63   and name HD1 ))
   (( segid "FecA" and resid 62   and name HA  ))
 ASSI {  624}
   (( segid "FecA" and resid 1    and name HA  ))
   (( segid "FecA" and resid 43   and name HA  ))
      3.300     3.300     2.700 peak   624 spectrum    2 weight  0.11000E+01 volume  0.15084E-02 ppm1      4.484 ppm2      4.916 CV     1
 ASSI {  626}
   (( segid "FecA" and resid 59   and name HB1 ))
   (( segid "FecA" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   626 spectrum    2 weight  0.11000E+01 volume  0.43815E-02 ppm1      1.183 ppm2      5.018 CV     1
 ASSI {  627}
   (( segid "FecA" and resid 59   and name HG  ))
   (( segid "FecA" and resid 59   and name HA  ))
      4.200     2.200     1.800 peak   627 spectrum    2 weight  0.11000E+01 volume  0.32493E-03 ppm1      1.531 ppm2      5.027 CV     1
 ASSI {  629}
   (  segid "FecA" and resid 25   and name HD1%)
   (( segid "FecA" and resid 25   and name HA  ))
      2.700     0.900     0.900 peak   629 spectrum    2 weight  0.11000E+01 volume  0.48444E-02 ppm1      0.913 ppm2      5.364 CV     1
 ASSI {  630}
   (( segid "FecA" and resid 25   and name HB1 ))
   (( segid "FecA" and resid 25   and name HA  ))
      2.600     0.800     0.800 peak   630 spectrum    2 weight  0.11000E+01 volume  0.39754E-02 ppm1      1.529 ppm2      5.362 CV     1
 ASSI {  631}
   (( segid "FecA" and resid 25   and name HB2 ))
   (( segid "FecA" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   631 spectrum    2 weight  0.11000E+01 volume  0.15260E-02 ppm1      1.748 ppm2      5.361 CV     1
 ASSI {  632}
   (( segid "FecA" and resid 69   and name HB1 ))
   (( segid "FecA" and resid 25   and name HA  ))
      5.400     3.600     0.600 peak   632 spectrum    2 weight  0.11000E+01 volume  0.25560E-03 ppm1      2.811 ppm2      5.358 CV     1
 ASSI {  633}
   (  segid "FecA" and resid 71   and name HD2%)
   (( segid "FecA" and resid 71   and name HA  ))
      2.500     2.500     3.500 peak   633 spectrum    2 weight  0.11000E+01 volume  0.57328E-02 ppm1      0.863 ppm2      5.515 CV     1
 ASSI {  634}
   (( segid "FecA" and resid 71   and name HB1 ))
   (( segid "FecA" and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   634 spectrum    2 weight  0.11000E+01 volume  0.32982E-02 ppm1      1.418 ppm2      5.512 CV     1
 ASSI {  635}
   (( segid "FecA" and resid 71   and name HB2 ))
   (( segid "FecA" and resid 71   and name HA  ))
      2.700     0.900     0.900 peak   635 spectrum    2 weight  0.11000E+01 volume  0.30120E-02 ppm1      1.696 ppm2      5.518 CV     1
 ASSI {  637}
   (( segid "FecA" and resid 41   and name HA  ))
   (( segid "FecA" and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   637 spectrum    2 weight  0.11000E+01 volume  0.41278E-02 ppm1      5.466 ppm2      5.191 CV     1
 ASSI {  641}
   (( segid "FecA" and resid 23   and name HB1 ))
   (( segid "FecA" and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   641 spectrum    2 weight  0.11000E+01 volume  0.46908E-02 ppm1      3.020 ppm2      5.326 CV     1
 ASSI {  642}
   (( segid "FecA" and resid 23   and name HB2 ))
   (( segid "FecA" and resid 23   and name HA  ))
      2.800     0.900     0.900 peak   642 spectrum    2 weight  0.11000E+01 volume  0.42489E-02 ppm1      3.443 ppm2      5.325 CV     1
 ASSI {  645}
   (  segid "FecA" and resid 3    and name HG2%)
   (( segid "FecA" and resid 41   and name HA  ))
      4.700     2.800     1.300 peak   645 spectrum    2 weight  0.11000E+01 volume  0.20466E-03 ppm1      0.846 ppm2      5.472 CV     1
 ASSI {  651}
   (  segid "FecA" and resid 5    and name HG2%)
   (( segid "FecA" and resid 16   and name HB1 ))
      4.800     4.800     1.200 peak   651 spectrum    2 weight  0.11000E+01 volume  0.18484E-03 ppm1      0.971 ppm2      2.061 CV     1
 ASSI {  653}
   (( segid "FecA" and resid 48   and name HA  ))
   (( segid "FecA" and resid 51   and name HB2 ))
      3.200     1.300     1.300 peak   653 spectrum    2 weight  0.11000E+01 volume  0.19611E-02 ppm1      4.278 ppm2      2.218 CV     1
 ASSI {  654}
   (( segid "FecA" and resid 48   and name HA  ))
   (( segid "FecA" and resid 51   and name HB1 ))
      3.100     1.200     1.200 peak   654 spectrum    2 weight  0.11000E+01 volume  0.11108E-02 ppm1      4.279 ppm2      2.082 CV     1
 ASSI {  655}
   (( segid "FecA" and resid 51   and name HA  ))
   (( segid "FecA" and resid 51   and name HB2 ))
      2.400     0.700     0.700 peak   655 spectrum    2 weight  0.11000E+01 volume  0.57151E-02 ppm1      3.808 ppm2      2.212 CV     1
 ASSI {  656}
   (( segid "FecA" and resid 51   and name HA  ))
   (( segid "FecA" and resid 51   and name HB1 ))
      2.700     0.900     0.900 peak   656 spectrum    2 weight  0.11000E+01 volume  0.65876E-02 ppm1      3.811 ppm2      2.070 CV     1
 ASSI {  657}
   (( segid "FecA" and resid 51   and name HG2 ))
   (( segid "FecA" and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak   657 spectrum    2 weight  0.11000E+01 volume  0.22691E-02 ppm1      2.514 ppm2      2.231 CV     1
 ASSI {  658}
   (( segid "FecA" and resid 51   and name HG2 ))
   (( segid "FecA" and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak   658 spectrum    2 weight  0.11000E+01 volume  0.12604E-02 ppm1      2.511 ppm2      2.097 CV     1
 ASSI {  659}
   (( segid "FecA" and resid 51   and name HG1 ))
   (( segid "FecA" and resid 51   and name HB1 ))
      2.700     0.900     0.900 peak   659 spectrum    2 weight  0.11000E+01 volume  0.56316E-02 ppm1      2.406 ppm2      2.090 CV     1
 ASSI {  664}
   (( segid "FecA" and resid 52   and name HB2 ))
   (( segid "FecA" and resid 52   and name HB1 ))
      1.700     0.400     0.500 peak   664 spectrum    2 weight  0.11000E+01 volume  0.11756E-01 ppm1      1.977 ppm2      1.782 CV     1
 ASSI {  667}
   (  segid "FecA" and resid 40   and name HD2%)
   (( segid "FecA" and resid 52   and name HB1 ))
      3.300     1.400     1.400 peak   667 spectrum    2 weight  0.11000E+01 volume  0.94673E-03 ppm1     -0.045 ppm2      1.784 CV     1
 ASSI {  668}
   (  segid "FecA" and resid 40   and name HD1%)
   (( segid "FecA" and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak   668 spectrum    2 weight  0.11000E+01 volume  0.14524E-02 ppm1      0.014 ppm2      1.979 CV     1
 ASSI {  669}
   (( segid "FecA" and resid 77   and name HA  ))
   (( segid "FecA" and resid 77   and name HG1 ))
      3.400     1.400     1.400 peak   669 spectrum    2 weight  0.11000E+01 volume  0.36531E-02 ppm1      4.396 ppm2      2.035 CV     1
 OR {  669}
   (( segid "FecA" and resid 77   and name HA  ))
   (( segid "FecA" and resid 77   and name HG2 ))
 ASSI {  670}
   (( segid "FecA" and resid 77   and name HD2 ))
   (( segid "FecA" and resid 77   and name HG2 ))
      2.100     0.500     0.500 peak   670 spectrum    2 weight  0.11000E+01 volume  0.12858E-01 ppm1      3.807 ppm2      2.030 CV     1
 OR {  670}
   (( segid "FecA" and resid 77   and name HD2 ))
   (( segid "FecA" and resid 77   and name HG1 ))
 ASSI {  671}
   (( segid "FecA" and resid 75   and name HD2 ))
   (( segid "FecA" and resid 77   and name HG2 ))
      2.000     0.500     0.500 peak   671 spectrum    2 weight  0.11000E+01 volume  0.11609E-01 ppm1      3.753 ppm2      2.024 CV     1
 OR {  671}
   (( segid "FecA" and resid 75   and name HD2 ))
   (( segid "FecA" and resid 77   and name HG1 ))
 ASSI {  672}
   (( segid "FecA" and resid 77   and name HD1 ))
   (( segid "FecA" and resid 77   and name HG1 ))
      2.100     0.500     0.500 peak   672 spectrum    2 weight  0.11000E+01 volume  0.13237E-01 ppm1      3.649 ppm2      2.029 CV     1
 OR {  672}
   (( segid "FecA" and resid 77   and name HD1 ))
   (( segid "FecA" and resid 77   and name HG2 ))
 ASSI {  673}
   (( segid "FecA" and resid 7    and name HD1 ))
   (( segid "FecA" and resid 7    and name HG2 ))
      2.400     2.400     3.600 peak   673 spectrum    2 weight  0.11000E+01 volume  0.57901E-02 ppm1      3.583 ppm2      2.027 CV     1
 OR {  673}
   (( segid "FecA" and resid 7    and name HD1 ))
   (( segid "FecA" and resid 7    and name HG1 ))
 ASSI {  674}
   (  segid "FecA" and resid 6    and name HB% )
   (( segid "FecA" and resid 7    and name HG1 ))
      4.600     2.600     1.400 peak   674 spectrum    2 weight  0.11000E+01 volume  0.14403E-02 ppm1      1.416 ppm2      2.027 CV     1
 OR {  674}
   (  segid "FecA" and resid 6    and name HB% )
   (( segid "FecA" and resid 7    and name HG2 ))
 ASSI {  675}
   (( segid "FecA" and resid 7    and name HA  ))
   (( segid "FecA" and resid 7    and name HG2 ))
      3.900     1.900     1.900 peak   675 spectrum    2 weight  0.11000E+01 volume  0.12441E-02 ppm1      4.203 ppm2      2.013 CV     1
 OR {  675}
   (( segid "FecA" and resid 7    and name HA  ))
   (( segid "FecA" and resid 7    and name HG1 ))
 ASSI {  676}
   (( segid "FecA" and resid 6    and name HA  ))
   (( segid "FecA" and resid 7    and name HG2 ))
      6.000     4.800     0.000 peak   676 spectrum    2 weight  0.11000E+01 volume  0.23400E-03 ppm1      4.519 ppm2      2.015 CV     1
 ASSI {  677}
   (( segid "FecA" and resid 38   and name HA  ))
   (( segid "FecA" and resid 7    and name HG1 ))
      3.500     1.600     1.600 peak   677 spectrum    2 weight  0.11000E+01 volume  0.81745E-03 ppm1      4.914 ppm2      2.001 CV     1
 ASSI {  680}
   (  segid "FecA" and resid 5    and name HG2%)
   (( segid "FecA" and resid 5    and name HG12))
      2.700     0.900     0.900 peak   680 spectrum    2 weight  0.11000E+01 volume  0.43357E-02 ppm1      0.971 ppm2      1.196 CV     1
 OR {  680}
   (  segid "FecA" and resid 5    and name HG2%)
   (( segid "FecA" and resid 5    and name HG11))
 ASSI {  681}
   (  segid "FecA" and resid 3    and name HG2%)
   (( segid "FecA" and resid 5    and name HG11))
      2.800     2.800     3.200 peak   681 spectrum    2 weight  0.11000E+01 volume  0.45647E-02 ppm1      0.848 ppm2      1.184 CV     1
 ASSI {  682}
   (  segid "FecA" and resid 5    and name HD1%)
   (( segid "FecA" and resid 5    and name HG12))
      2.300     0.700     0.700 peak   682 spectrum    2 weight  0.11000E+01 volume  0.69416E-02 ppm1      0.718 ppm2      1.193 CV     1
 OR {  682}
   (  segid "FecA" and resid 5    and name HD1%)
   (( segid "FecA" and resid 5    and name HG11))
 OR {  682}
   (  segid "FecA" and resid 5    and name HD1%)
   (( segid "FecA" and resid 5    and name HG11))
 ASSI {  684}
   (( segid "FecA" and resid 33   and name HD2 ))
   (( segid "FecA" and resid 33   and name HG2 ))
      2.600     0.800     0.800 peak   684 spectrum    2 weight  0.11000E+01 volume  0.39942E-02 ppm1      3.230 ppm2      1.705 CV     1
 OR {  684}
   (( segid "FecA" and resid 33   and name HD1 ))
   (( segid "FecA" and resid 33   and name HG2 ))
 ASSI {  685}
   (  segid "FecA" and resid 14   and name HD1%)
   (( segid "FecA" and resid 14   and name HG  ))
      2.300     0.600     0.600 peak   685 spectrum    2 weight  0.11000E+01 volume  0.74424E-02 ppm1      0.750 ppm2      1.844 CV     1
 ASSI {  686}
   (  segid "FecA" and resid 10   and name HD1%)
   (( segid "FecA" and resid 14   and name HG  ))
      2.900     1.000     1.000 peak   686 spectrum    2 weight  0.11000E+01 volume  0.25182E-02 ppm1      0.918 ppm2      1.840 CV     1
 ASSI {  688}
   (  segid "FecA" and resid 54   and name HD1%)
   (( segid "FecA" and resid 54   and name HG  ))
      2.600     0.900     0.900 peak   688 spectrum    2 weight  0.11000E+01 volume  0.38522E-02 ppm1      0.652 ppm2      1.791 CV     1
 ASSI {  690}
   (  segid "FecA" and resid 31   and name HD1%)
   (( segid "FecA" and resid 31   and name HG  ))
      2.700     0.900     0.900 peak   690 spectrum    2 weight  0.11000E+01 volume  0.30535E-02 ppm1      0.981 ppm2      1.737 CV     1
 ASSI {  695}
   (( segid "FecA" and resid 25   and name HA  ))
   (( segid "FecA" and resid 25   and name HG  ))
      3.800     1.800     1.800 peak   695 spectrum    2 weight  0.11000E+01 volume  0.72117E-03 ppm1      5.359 ppm2      1.529 CV     1
 ASSI {  696}
   (  segid "FecA" and resid 25   and name HD2%)
   (( segid "FecA" and resid 25   and name HG  ))
      2.200     0.600     0.600 peak   696 spectrum    2 weight  0.11000E+01 volume  0.84475E-02 ppm1      0.918 ppm2      1.528 CV     1
 ASSI {  697}
   (  segid "FecA" and resid 10   and name HD2%)
   (( segid "FecA" and resid 10   and name HG  ))
      2.500     0.800     0.800 peak   697 spectrum    2 weight  0.11000E+01 volume  0.54398E-02 ppm1      0.838 ppm2      1.506 CV     1
 ASSI {  698}
   (  segid "FecA" and resid 50   and name HD2%)
   (( segid "FecA" and resid 50   and name HG  ))
      2.500     0.800     0.800 peak   698 spectrum    2 weight  0.11000E+01 volume  0.44070E-02 ppm1      0.650 ppm2      1.408 CV     1
 ASSI {  702}
   (  segid "FecA" and resid 53   and name HD2%)
   (( segid "FecA" and resid 53   and name HG  ))
      2.600     0.900     0.900 peak   702 spectrum    2 weight  0.11000E+01 volume  0.24117E-02 ppm1      0.542 ppm2      1.382 CV     1
 ASSI {  703}
   (( segid "FecA" and resid 40   and name HG  ))
   (( segid "FecA" and resid 53   and name HG  ))
      3.200     3.200     2.800 peak   703 spectrum    2 weight  0.11000E+01 volume  0.86559E-02 ppm1      0.795 ppm2      1.369 CV     1
 ASSI {  707}
   (  segid "FecA" and resid 46   and name HG1%)
   (( segid "FecA" and resid 50   and name HG  ))
      4.800     2.800     1.200 peak   707 spectrum    2 weight  0.11000E+01 volume  0.16756E-03 ppm1     -0.386 ppm2      1.421 CV     1
 ASSI {  708}
   (  segid "FecA" and resid 40   and name HD2%)
   (( segid "FecA" and resid 53   and name HG  ))
      2.900     1.100     1.100 peak   708 spectrum    2 weight  0.11000E+01 volume  0.11145E-02 ppm1     -0.047 ppm2      1.393 CV     1
 ASSI {  712}
   (( segid "FecA" and resid 10   and name HG  ))
   (  segid "FecA" and resid 14   and name HD1%)
      2.900     2.900     3.100 peak   712 spectrum    2 weight  0.11000E+01 volume  0.26972E-02 ppm1      1.505 ppm2      0.768 CV     1
 ASSI {  715}
   (( segid "FecA" and resid 71   and name HB2 ))
   (  segid "FecA" and resid 71   and name HD1%)
      2.300     2.300     3.700 peak   715 spectrum    2 weight  0.11000E+01 volume  0.10792E-01 ppm1      1.696 ppm2      0.842 CV     1
 ASSI {  716}
   (( segid "FecA" and resid 71   and name HB1 ))
   (  segid "FecA" and resid 71   and name HD1%)
      2.900     1.100     1.100 peak   716 spectrum    2 weight  0.11000E+01 volume  0.26858E-02 ppm1      1.419 ppm2      0.840 CV     1
 ASSI {  717}
   (( segid "FecA" and resid 40   and name HB2 ))
   (( segid "FecA" and resid 40   and name HG  ))
      2.900     1.100     1.100 peak   717 spectrum    2 weight  0.11000E+01 volume  0.31129E-02 ppm1      1.107 ppm2      0.842 CV     1
 ASSI {  721}
   (( segid "FecA" and resid 14   and name HB1 ))
   (  segid "FecA" and resid 25   and name HD2%)
      4.700     2.800     1.300 peak   721 spectrum    2 weight  0.11000E+01 volume  0.21386E-03 ppm1      1.320 ppm2      0.922 CV     1
 ASSI {  723}
   (  segid "FecA" and resid 50   and name HD1%)
   (  segid "FecA" and resid 25   and name HD2%)
      5.100     5.100     0.900 peak   723 spectrum    2 weight  0.11000E+01 volume  0.15646E-03 ppm1     -0.222 ppm2      0.918 CV     1
 ASSI {  724}
   (( segid "FecA" and resid 54   and name HB1 ))
   (  segid "FecA" and resid 54   and name HD1%)
      3.300     1.400     1.400 peak   724 spectrum    2 weight  0.11000E+01 volume  0.14222E-02 ppm1      1.610 ppm2      0.659 CV     1
 ASSI {  725}
   (( segid "FecA" and resid 54   and name HB2 ))
   (  segid "FecA" and resid 54   and name HD1%)
      2.500     0.800     0.800 peak   725 spectrum    2 weight  0.11000E+01 volume  0.70802E-02 ppm1      1.814 ppm2      0.655 CV     1
 ASSI {  728}
   (( segid "FecA" and resid 60   and name HA  ))
   (  segid "FecA" and resid 54   and name HD1%)
      3.200     1.300     1.300 peak   728 spectrum    2 weight  0.11000E+01 volume  0.15097E-02 ppm1      4.882 ppm2      0.658 CV     1
 ASSI {  729}
   (( segid "FecA" and resid 25   and name HA  ))
   (  segid "FecA" and resid 25   and name HD2%)
      3.100     1.200     1.200 peak   729 spectrum    2 weight  0.11000E+01 volume  0.11587E-02 ppm1      5.360 ppm2      0.920 CV     1
 ASSI {  730}
   (( segid "FecA" and resid 42   and name HA1 ))
   (( segid "FecA" and resid 40   and name HG  ))
      4.100     2.100     1.900 peak   730 spectrum    2 weight  0.11000E+01 volume  0.39843E-03 ppm1      3.781 ppm2      0.837 CV     1
 ASSI {  731}
   (( segid "FecA" and resid 54   and name HA  ))
   (  segid "FecA" and resid 10   and name HD2%)
      2.800     2.800     3.200 peak   731 spectrum    2 weight  0.11000E+01 volume  0.31603E-02 ppm1      4.143 ppm2      0.834 CV     1
 ASSI {  733}
   (( segid "FecA" and resid 35   and name HA  ))
   (( segid "FecA" and resid 35   and name HG2 ))
      2.800     1.000     1.000 peak   733 spectrum    2 weight  0.11000E+01 volume  0.37697E-02 ppm1      4.592 ppm2      1.408 CV     1
 OR {  733}
   (( segid "FecA" and resid 35   and name HA  ))
   (( segid "FecA" and resid 35   and name HG1 ))
 ASSI {  734}
   (( segid "FecA" and resid 32   and name HA  ))
   (( segid "FecA" and resid 35   and name HG1 ))
      3.700     1.700     1.700 peak   734 spectrum    2 weight  0.11000E+01 volume  0.11885E-02 ppm1      4.087 ppm2      1.393 CV     1
 OR {  734}
   (( segid "FecA" and resid 32   and name HA  ))
   (( segid "FecA" and resid 35   and name HG2 ))
 ASSI {  736}
   (( segid "FecA" and resid 35   and name HB2 ))
   (( segid "FecA" and resid 35   and name HG1 ))
      2.700     0.900     0.900 peak   736 spectrum    2 weight  0.11000E+01 volume  0.32322E-02 ppm1      1.931 ppm2      1.410 CV     1
 OR {  736}
   (( segid "FecA" and resid 35   and name HB2 ))
   (( segid "FecA" and resid 35   and name HG2 ))
 ASSI {  737}
   (( segid "FecA" and resid 35   and name HB1 ))
   (( segid "FecA" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak   737 spectrum    2 weight  0.11000E+01 volume  0.44251E-02 ppm1      1.810 ppm2      1.411 CV     1
 OR {  737}
   (( segid "FecA" and resid 35   and name HB1 ))
   (( segid "FecA" and resid 35   and name HG2 ))
 ASSI {  738}
   (( segid "FecA" and resid 35   and name HD1 ))
   (( segid "FecA" and resid 35   and name HG1 ))
      2.200     0.600     0.600 peak   738 spectrum    2 weight  0.11000E+01 volume  0.96769E-02 ppm1      1.660 ppm2      1.417 CV     1
 OR {  738}
   (( segid "FecA" and resid 35   and name HD2 ))
   (( segid "FecA" and resid 35   and name HG2 ))
 OR {  738}
   (( segid "FecA" and resid 35   and name HD2 ))
   (( segid "FecA" and resid 35   and name HG1 ))
 OR {  738}
   (( segid "FecA" and resid 35   and name HD1 ))
   (( segid "FecA" and resid 35   and name HG2 ))
 ASSI {  743}
   (( segid "FecA" and resid 73   and name HD1 ))
   (  segid "FecA" and resid 31   and name HD1%)
      3.500     1.600     1.600 peak   743 spectrum    2 weight  0.11000E+01 volume  0.30171E-03 ppm1      3.754 ppm2      0.985 CV     1
 ASSI {  746}
   (( segid "FecA" and resid 53   and name HG  ))
   (  segid "FecA" and resid 53   and name HD1%)
      2.400     0.700     0.700 peak   746 spectrum    2 weight  0.11000E+01 volume  0.40836E-02 ppm1      1.372 ppm2      0.460 CV     1
 ASSI {  747}
   (( segid "FecA" and resid 53   and name HB2 ))
   (  segid "FecA" and resid 53   and name HD1%)
      2.700     0.900     0.900 peak   747 spectrum    2 weight  0.11000E+01 volume  0.26606E-02 ppm1      1.812 ppm2      0.460 CV     1
 ASSI {  748}
   (( segid "FecA" and resid 17   and name HB1 ))
   (  segid "FecA" and resid 53   and name HD1%)
      4.400     2.500     1.600 peak   748 spectrum    2 weight  0.11000E+01 volume  0.38409E-03 ppm1      2.995 ppm2      0.460 CV     1
 ASSI {  752}
   (( segid "FecA" and resid 69   and name HH2 ))
   (  segid "FecA" and resid 53   and name HD1%)
      3.000     3.000     3.000 peak   752 spectrum    2 weight  0.11000E+01 volume  0.87422E-03 ppm1      7.055 ppm2      0.461 CV     1
 ASSI {  753}
   (  segid "FecA" and resid 40   and name HD1%)
   (  segid "FecA" and resid 53   and name HD1%)
      6.000     6.000     0.000 peak   753 spectrum    2 weight  0.11000E+01 volume  0.12355E-03 ppm1      0.016 ppm2      0.450 CV     1
 ASSI {  754}
   (  segid "FecA" and resid 40   and name HD2%)
   (  segid "FecA" and resid 53   and name HD1%)
      3.700     1.700     1.700 peak   754 spectrum    2 weight  0.11000E+01 volume  0.12373E-02 ppm1     -0.046 ppm2      0.454 CV     1
 ASSI {  755}
   (( segid "FecA" and resid 59   and name HB1 ))
   (  segid "FecA" and resid 59   and name HD1%)
      3.000     1.100     1.100 peak   755 spectrum    2 weight  0.11000E+01 volume  0.26990E-02 ppm1      1.186 ppm2      0.716 CV     1
 ASSI {  756}
   (( segid "FecA" and resid 59   and name HG  ))
   (  segid "FecA" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   756 spectrum    2 weight  0.11000E+01 volume  0.54124E-02 ppm1      1.524 ppm2      0.721 CV     1
 ASSI {  757}
   (( segid "FecA" and resid 59   and name HB2 ))
   (  segid "FecA" and resid 59   and name HD1%)
      2.700     0.900     0.900 peak   757 spectrum    2 weight  0.11000E+01 volume  0.32741E-02 ppm1      1.964 ppm2      0.712 CV     1
 ASSI {  758}
   (( segid "FecA" and resid 57   and name HB2 ))
   (  segid "FecA" and resid 59   and name HD1%)
      3.700     3.700     2.300 peak   758 spectrum    2 weight  0.11000E+01 volume  0.71536E-03 ppm1      4.089 ppm2      0.715 CV     1
 ASSI {  759}
   (( segid "FecA" and resid 57   and name HB1 ))
   (  segid "FecA" and resid 59   and name HD1%)
      5.100     3.200     0.900 peak   759 spectrum    2 weight  0.11000E+01 volume  0.21632E-03 ppm1      3.786 ppm2      0.721 CV     1
 ASSI {  760}
   (( segid "FecA" and resid 64   and name HB1 ))
   (  segid "FecA" and resid 64   and name HD1%)
      2.400     2.400     3.600 peak   760 spectrum    2 weight  0.11000E+01 volume  0.73414E-02 ppm1      1.362 ppm2      0.805 CV     1
 ASSI {  761}
   (( segid "FecA" and resid 64   and name HB2 ))
   (  segid "FecA" and resid 64   and name HD1%)
      2.800     2.800     3.200 peak   761 spectrum    2 weight  0.11000E+01 volume  0.62002E-02 ppm1      1.431 ppm2      0.827 CV     1
 ASSI {  762}
   (  segid "FecA" and resid 70   and name HG2%)
   (  segid "FecA" and resid 64   and name HD1%)
      2.600     2.600     3.400 peak   762 spectrum    2 weight  0.11000E+01 volume  0.17711E-02 ppm1      1.204 ppm2      0.806 CV     1
 ASSI {  763}
   (( segid "FecA" and resid 70   and name HB  ))
   (  segid "FecA" and resid 64   and name HD1%)
      3.000     3.000     3.000 peak   763 spectrum    2 weight  0.11000E+01 volume  0.31489E-02 ppm1      4.155 ppm2      0.807 CV     1
 ASSI {  764}
   (( segid "FecA" and resid 64   and name HA  ))
   (  segid "FecA" and resid 64   and name HD1%)
      4.500     2.500     1.500 peak   764 spectrum    2 weight  0.11000E+01 volume  0.25470E-03 ppm1      4.442 ppm2      0.792 CV     1
 ASSI {  766}
   (( segid "FecA" and resid 61   and name HA  ))
   (  segid "FecA" and resid 71   and name HD2%)
      3.000     3.000     3.000 peak   766 spectrum    2 weight  0.11000E+01 volume  0.34698E-02 ppm1      4.817 ppm2      0.869 CV     1
 ASSI {  768}
   (  segid "FecA" and resid 54   and name HD1%)
   (  segid "FecA" and resid 71   and name HD2%)
      2.700     2.700     3.300 peak   768 spectrum    2 weight  0.11000E+01 volume  0.57702E-02 ppm1      0.652 ppm2      0.866 CV     1
 ASSI {  770}
   (( segid "FecA" and resid 70   and name HA  ))
   (  segid "FecA" and resid 25   and name HD1%)
      2.800     2.800     3.200 peak   770 spectrum    2 weight  0.11000E+01 volume  0.11336E-02 ppm1      5.183 ppm2      0.910 CV     1
 ASSI {  771}
   (( segid "FecA" and resid 69   and name HB2 ))
   (  segid "FecA" and resid 25   and name HD1%)
      4.500     2.600     1.500 peak   771 spectrum    2 weight  0.11000E+01 volume  0.25476E-03 ppm1      3.073 ppm2      0.907 CV     1
 ASSI {  772}
   (( segid "FecA" and resid 69   and name HB1 ))
   (  segid "FecA" and resid 25   and name HD1%)
      4.400     2.400     1.600 peak   772 spectrum    2 weight  0.11000E+01 volume  0.13315E-02 ppm1      2.819 ppm2      0.912 CV     1
 ASSI {  773}
   (( segid "FecA" and resid 25   and name HG  ))
   (  segid "FecA" and resid 25   and name HD1%)
      2.500     0.800     0.800 peak   773 spectrum    2 weight  0.11000E+01 volume  0.49733E-02 ppm1      1.532 ppm2      0.911 CV     1
 ASSI {  774}
   (  segid "FecA" and resid 50   and name HD1%)
   (  segid "FecA" and resid 25   and name HD1%)
      3.600     3.600     2.400 peak   774 spectrum    2 weight  0.11000E+01 volume  0.17221E-02 ppm1     -0.227 ppm2      0.900 CV     1
 ASSI {  775}
   (( segid "FecA" and resid 53   and name HB1 ))
   (  segid "FecA" and resid 53   and name HD2%)
      2.600     0.800     0.800 peak   775 spectrum    2 weight  0.11000E+01 volume  0.33431E-02 ppm1      1.115 ppm2      0.545 CV     1
 ASSI {  777}
   (( segid "FecA" and resid 53   and name HB2 ))
   (  segid "FecA" and resid 53   and name HD2%)
      4.100     2.100     1.900 peak   777 spectrum    2 weight  0.11000E+01 volume  0.10191E-02 ppm1      1.817 ppm2      0.547 CV     1
 ASSI {  778}
   (  segid "FecA" and resid 53   and name HD1%)
   (  segid "FecA" and resid 53   and name HD2%)
      2.600     0.900     0.900 peak   778 spectrum    2 weight  0.11000E+01 volume  0.37201E-02 ppm1      0.454 ppm2      0.539 CV     1
 ASSI {  779}
   (  segid "FecA" and resid 40   and name HD1%)
   (  segid "FecA" and resid 53   and name HD2%)
      4.900     3.000     1.100 peak   779 spectrum    2 weight  0.11000E+01 volume  0.28442E-03 ppm1      0.013 ppm2      0.534 CV     1
 ASSI {  780}
   (  segid "FecA" and resid 40   and name HD2%)
   (  segid "FecA" and resid 53   and name HD2%)
      3.200     1.300     1.300 peak   780 spectrum    2 weight  0.11000E+01 volume  0.12535E-02 ppm1     -0.046 ppm2      0.546 CV     1
 ASSI {  782}
   (( segid "FecA" and resid 12   and name HA  ))
   (( segid "FecA" and resid 12   and name HG2 ))
      3.400     1.400     1.400 peak   782 spectrum    2 weight  0.11000E+01 volume  0.15096E-02 ppm1      4.050 ppm2      1.525 CV     1
 ASSI {  783}
   (( segid "FecA" and resid 12   and name HA  ))
   (( segid "FecA" and resid 12   and name HG1 ))
      3.200     1.300     1.300 peak   783 spectrum    2 weight  0.11000E+01 volume  0.10998E-02 ppm1      4.048 ppm2      1.394 CV     1
 ASSI {  784}
   (( segid "FecA" and resid 12   and name HE2 ))
   (( segid "FecA" and resid 12   and name HG1 ))
      3.800     1.800     1.800 peak   784 spectrum    2 weight  0.11000E+01 volume  0.77066E-03 ppm1      3.001 ppm2      1.383 CV     1
 OR {  784}
   (( segid "FecA" and resid 12   and name HE1 ))
   (( segid "FecA" and resid 12   and name HG1 ))
 ASSI {  785}
   (( segid "FecA" and resid 12   and name HE1 ))
   (( segid "FecA" and resid 12   and name HG2 ))
      5.600     3.900     0.400 peak   785 spectrum    2 weight  0.11000E+01 volume  0.66099E-04 ppm1      3.003 ppm2      1.522 CV     1
 OR {  785}
   (( segid "FecA" and resid 12   and name HE2 ))
   (( segid "FecA" and resid 12   and name HG2 ))
 ASSI {  788}
   (( segid "FecA" and resid 62   and name HG1 ))
   (( segid "FecA" and resid 62   and name HG2 ))
      1.800     0.400     0.400 peak   788 spectrum    2 weight  0.11000E+01 volume  0.10355E-01 ppm1      1.170 ppm2      1.362 CV     1
 ASSI {  789}
   (( segid "FecA" and resid 62   and name HD2 ))
   (( segid "FecA" and resid 62   and name HG2 ))
      2.300     0.700     0.700 peak   789 spectrum    2 weight  0.11000E+01 volume  0.90358E-02 ppm1      1.575 ppm2      1.378 CV     1
 OR {  789}
   (( segid "FecA" and resid 62   and name HD1 ))
   (( segid "FecA" and resid 62   and name HG2 ))
 ASSI {  791}
   (( segid "FecA" and resid 62   and name HD1 ))
   (( segid "FecA" and resid 62   and name HG1 ))
      2.700     0.900     0.900 peak   791 spectrum    2 weight  0.11000E+01 volume  0.35631E-02 ppm1      1.570 ppm2      1.186 CV     1
 ASSI {  792}
   (( segid "FecA" and resid 62   and name HE1 ))
   (( segid "FecA" and resid 62   and name HG2 ))
      4.500     2.600     1.500 peak   792 spectrum    2 weight  0.11000E+01 volume  0.22835E-03 ppm1      2.854 ppm2      1.388 CV     1
 OR {  792}
   (( segid "FecA" and resid 62   and name HE2 ))
   (( segid "FecA" and resid 62   and name HG2 ))
 ASSI {  793}
   (( segid "FecA" and resid 62   and name HE2 ))
   (( segid "FecA" and resid 62   and name HG1 ))
      3.800     1.800     1.800 peak   793 spectrum    2 weight  0.11000E+01 volume  0.83571E-03 ppm1      2.852 ppm2      1.179 CV     1
 OR {  793}
   (( segid "FecA" and resid 62   and name HE1 ))
   (( segid "FecA" and resid 62   and name HG1 ))
 ASSI {  794}
   (( segid "FecA" and resid 63   and name HD1 ))
   (( segid "FecA" and resid 62   and name HG2 ))
      4.600     2.700     1.400 peak   794 spectrum    2 weight  0.11000E+01 volume  0.31558E-03 ppm1      3.871 ppm2      1.381 CV     1
 OR {  794}
   (( segid "FecA" and resid 63   and name HD2 ))
   (( segid "FecA" and resid 62   and name HG2 ))
 ASSI {  795}
   (( segid "FecA" and resid 63   and name HD1 ))
   (( segid "FecA" and resid 62   and name HG1 ))
      6.000     4.500     0.000 peak   795 spectrum    2 weight  0.11000E+01 volume  0.92031E-04 ppm1      3.862 ppm2      1.175 CV     1
 OR {  795}
   (( segid "FecA" and resid 63   and name HD2 ))
   (( segid "FecA" and resid 62   and name HG1 ))
 ASSI {  796}
   (( segid "FecA" and resid 62   and name HA  ))
   (( segid "FecA" and resid 62   and name HG2 ))
      3.300     1.400     1.400 peak   796 spectrum    2 weight  0.11000E+01 volume  0.99346E-03 ppm1      5.080 ppm2      1.371 CV     1
 ASSI {  797}
   (( segid "FecA" and resid 62   and name HA  ))
   (( segid "FecA" and resid 62   and name HG1 ))
      4.600     2.600     1.400 peak   797 spectrum    2 weight  0.11000E+01 volume  0.19132E-03 ppm1      5.081 ppm2      1.175 CV     1
 ASSI {  798}
   (( segid "FecA" and resid 59   and name HG  ))
   (  segid "FecA" and resid 59   and name HD2%)
      2.300     0.600     0.600 peak   798 spectrum    2 weight  0.11000E+01 volume  0.87939E-02 ppm1      1.526 ppm2      0.801 CV     1
 ASSI {  799}
   (( segid "FecA" and resid 59   and name HB2 ))
   (  segid "FecA" and resid 59   and name HD2%)
      3.100     1.200     1.200 peak   799 spectrum    2 weight  0.11000E+01 volume  0.62853E-02 ppm1      1.959 ppm2      0.810 CV     1
 ASSI {  802}
   (( segid "FecA" and resid 59   and name HA  ))
   (  segid "FecA" and resid 59   and name HD2%)
      2.500     0.800     0.800 peak   802 spectrum    2 weight  0.11000E+01 volume  0.65049E-02 ppm1      5.017 ppm2      0.799 CV     1
 ASSI {  804}
   (( segid "FecA" and resid 54   and name HG  ))
   (  segid "FecA" and resid 54   and name HD2%)
      2.300     0.600     0.600 peak   804 spectrum    2 weight  0.11000E+01 volume  0.86031E-02 ppm1      1.791 ppm2      0.837 CV     1
 ASSI {  805}
   (( segid "FecA" and resid 54   and name HB1 ))
   (  segid "FecA" and resid 54   and name HD2%)
      3.000     1.100     1.100 peak   805 spectrum    2 weight  0.11000E+01 volume  0.24057E-02 ppm1      1.612 ppm2      0.843 CV     1
 ASSI {  809}
   (  segid "FecA" and resid 53   and name HD1%)
   (  segid "FecA" and resid 50   and name HD2%)
      3.300     3.300     2.700 peak   809 spectrum    2 weight  0.11000E+01 volume  0.14452E-02 ppm1      0.455 ppm2      0.647 CV     1
 ASSI {  810}
   (  segid "FecA" and resid 50   and name HD1%)
   (  segid "FecA" and resid 50   and name HD2%)
      2.500     0.800     0.800 peak   810 spectrum    2 weight  0.11000E+01 volume  0.63123E-02 ppm1     -0.225 ppm2      0.653 CV     1
 ASSI {  812}
   (( segid "FecA" and resid 14   and name HG  ))
   (  segid "FecA" and resid 14   and name HD2%)
      2.300     0.600     0.600 peak   812 spectrum    2 weight  0.11000E+01 volume  0.65994E-02 ppm1      1.837 ppm2      0.749 CV     1
 ASSI {  813}
   (  segid "FecA" and resid 53   and name HD2%)
   (  segid "FecA" and resid 14   and name HD2%)
      2.900     2.900     3.100 peak   813 spectrum    2 weight  0.11000E+01 volume  0.10772E-02 ppm1      0.540 ppm2      0.746 CV     1
 ASSI {  814}
   (  segid "FecA" and resid 53   and name HD1%)
   (  segid "FecA" and resid 14   and name HD2%)
      2.700     0.900     0.900 peak   814 spectrum    2 weight  0.11000E+01 volume  0.29365E-02 ppm1      0.455 ppm2      0.745 CV     1
 ASSI {  815}
   (( segid "FecA" and resid 14   and name HA  ))
   (  segid "FecA" and resid 14   and name HD2%)
      2.300     0.700     0.700 peak   815 spectrum    2 weight  0.11000E+01 volume  0.71829E-02 ppm1      3.899 ppm2      0.745 CV     1
 ASSI {  816}
   (( segid "FecA" and resid 64   and name HA  ))
   (  segid "FecA" and resid 64   and name HD2%)
      2.500     0.800     0.800 peak   816 spectrum    2 weight  0.11000E+01 volume  0.67115E-02 ppm1      4.446 ppm2      0.793 CV     1
 ASSI {  817}
   (( segid "FecA" and resid 62   and name HE1 ))
   (  segid "FecA" and resid 64   and name HD2%)
      3.000     3.000     3.000 peak   817 spectrum    2 weight  0.11000E+01 volume  0.81305E-03 ppm1      2.852 ppm2      0.790 CV     1
 ASSI {  818}
   (( segid "FecA" and resid 64   and name HB2 ))
   (  segid "FecA" and resid 64   and name HD2%)
      2.700     0.900     0.900 peak   818 spectrum    2 weight  0.11000E+01 volume  0.39695E-02 ppm1      1.439 ppm2      0.789 CV     1
 ASSI {  820}
   (  segid "FecA" and resid 70   and name HG2%)
   (  segid "FecA" and resid 64   and name HD2%)
      3.000     1.200     1.200 peak   820 spectrum    2 weight  0.11000E+01 volume  0.25515E-02 ppm1      1.204 ppm2      0.794 CV     1
 ASSI {  823}
   (( segid "FecA" and resid 31   and name HG  ))
   (  segid "FecA" and resid 31   and name HD2%)
      2.200     0.600     0.600 peak   823 spectrum    2 weight  0.11000E+01 volume  0.95559E-02 ppm1      1.731 ppm2      0.871 CV     1
 ASSI {  825}
   (( segid "FecA" and resid 32   and name HB  ))
   (  segid "FecA" and resid 32   and name HG2%)
      2.200     0.600     0.600 peak   825 spectrum    2 weight  0.11000E+01 volume  0.11423E-01 ppm1      4.128 ppm2      0.847 CV     1
 ASSI {  830}
   (( segid "FecA" and resid 10   and name HG  ))
   (  segid "FecA" and resid 10   and name HD1%)
      2.300     0.600     0.600 peak   830 spectrum    2 weight  0.11000E+01 volume  0.79737E-02 ppm1      1.501 ppm2      0.909 CV     1
 ASSI {  833}
   (  segid "FecA" and resid 50   and name HD1%)
   (  segid "FecA" and resid 61   and name HG2%)
      2.600     2.600     3.400 peak   833 spectrum    2 weight  0.11000E+01 volume  0.49411E-02 ppm1     -0.225 ppm2      0.900 CV     1
 ASSI {  834}
   (  segid "FecA" and resid 54   and name HD1%)
   (  segid "FecA" and resid 61   and name HG2%)
      2.900     2.900     3.100 peak   834 spectrum    2 weight  0.11000E+01 volume  0.58996E-02 ppm1      0.651 ppm2      0.899 CV     1
 ASSI {  835}
   (( segid "FecA" and resid 71   and name HG  ))
   (  segid "FecA" and resid 61   and name HG2%)
      2.500     2.500     3.500 peak   835 spectrum    2 weight  0.11000E+01 volume  0.22269E-02 ppm1      1.671 ppm2      0.904 CV     1
 ASSI {  837}
   (( segid "FecA" and resid 60   and name HG1 ))
   (  segid "FecA" and resid 61   and name HG1%)
      3.700     3.700     2.300 peak   837 spectrum    2 weight  0.11000E+01 volume  0.18639E-02 ppm1      2.152 ppm2      0.898 CV     1
 ASSI {  839}
   (( segid "FecA" and resid 61   and name HA  ))
   (  segid "FecA" and resid 61   and name HG2%)
      2.700     0.900     0.900 peak   839 spectrum    2 weight  0.11000E+01 volume  0.35966E-02 ppm1      4.816 ppm2      0.899 CV     1
 ASSI {  840}
   (( segid "FecA" and resid 62   and name HA  ))
   (  segid "FecA" and resid 61   and name HG2%)
      4.500     2.500     1.500 peak   840 spectrum    2 weight  0.11000E+01 volume  0.23641E-03 ppm1      5.082 ppm2      0.899 CV     1
 ASSI {  841}
   (( segid "FecA" and resid 27   and name HB  ))
   (  segid "FecA" and resid 27   and name HG2%)
      2.400     0.700     0.700 peak   841 spectrum    2 weight  0.11000E+01 volume  0.74589E-02 ppm1      2.054 ppm2      0.979 CV     1
 ASSI {  842}
   (( segid "FecA" and resid 31   and name HB1 ))
   (  segid "FecA" and resid 27   and name HG2%)
      4.000     4.000     2.000 peak   842 spectrum    2 weight  0.11000E+01 volume  0.11189E-02 ppm1      1.530 ppm2      0.986 CV     1
 ASSI {  843}
   (( segid "FecA" and resid 31   and name HG  ))
   (  segid "FecA" and resid 27   and name HG2%)
      3.500     3.500     2.500 peak   843 spectrum    2 weight  0.11000E+01 volume  0.11541E-02 ppm1      1.719 ppm2      0.997 CV     1
 ASSI {  846}
   (( segid "FecA" and resid 73   and name HA  ))
   (( segid "FecA" and resid 73   and name HD1 ))
      2.500     2.500     3.500 peak   846 spectrum    2 weight  0.11000E+01 volume  0.71283E-02 ppm1      4.390 ppm2      3.752 CV     1
 ASSI {  847}
   (( segid "FecA" and resid 73   and name HB2 ))
   (( segid "FecA" and resid 73   and name HD2 ))
      2.400     2.400     3.600 peak   847 spectrum    2 weight  0.11000E+01 volume  0.16955E-01 ppm1      2.020 ppm2      3.622 CV     1
 ASSI {  848}
   (( segid "FecA" and resid 73   and name HB2 ))
   (( segid "FecA" and resid 73   and name HD1 ))
      2.500     2.500     3.500 peak   848 spectrum    2 weight  0.11000E+01 volume  0.24131E-01 ppm1      2.019 ppm2      3.780 CV     1
 ASSI {  852}
   (( segid "FecA" and resid 75   and name HG2 ))
   (( segid "FecA" and resid 75   and name HD1 ))
      2.400     0.700     0.700 peak   852 spectrum    2 weight  0.11000E+01 volume  0.54581E-02 ppm1      2.174 ppm2      3.744 CV     1
 OR {  852}
   (( segid "FecA" and resid 75   and name HG2 ))
   (( segid "FecA" and resid 75   and name HD2 ))
 ASSI {  853}
   (( segid "FecA" and resid 75   and name HG1 ))
   (( segid "FecA" and resid 75   and name HD2 ))
      2.200     0.600     0.600 peak   853 spectrum    2 weight  0.11000E+01 volume  0.98242E-02 ppm1      1.949 ppm2      3.751 CV     1
 OR {  853}
   (( segid "FecA" and resid 75   and name HG1 ))
   (( segid "FecA" and resid 75   and name HD1 ))
 ASSI {  855}
   (  segid "FecA" and resid 31   and name HD2%)
   (( segid "FecA" and resid 73   and name HD1 ))
      3.400     3.400     2.600 peak   855 spectrum    2 weight  0.11000E+01 volume  0.16223E-02 ppm1      0.859 ppm2      3.762 CV     1
 ASSI {  857}
   (( segid "FecA" and resid 6    and name HA  ))
   (( segid "FecA" and resid 7    and name HD1 ))
      2.400     0.700     0.700 peak   857 spectrum    2 weight  0.11000E+01 volume  0.45468E-02 ppm1      4.517 ppm2      3.638 CV     1
 ASSI {  860}
   (  segid "FecA" and resid 76   and name HB% )
   (( segid "FecA" and resid 77   and name HD2 ))
      4.000     4.000     2.000 peak   860 spectrum    2 weight  0.11000E+01 volume  0.18184E-02 ppm1      1.415 ppm2      3.802 CV     1
 ASSI {  861}
   (  segid "FecA" and resid 76   and name HB% )
   (( segid "FecA" and resid 77   and name HD1 ))
      3.400     3.400     2.600 peak   861 spectrum    2 weight  0.11000E+01 volume  0.36873E-02 ppm1      1.416 ppm2      3.633 CV     1
 ASSI {  864}
   (( segid "FecA" and resid 75   and name HD2 ))
   (( segid "FecA" and resid 74   and name HA  ))
      2.200     0.600     0.600 peak   864 spectrum    2 weight  0.11000E+01 volume  0.81868E-02 ppm1      3.753 ppm2      4.393 CV     1
 OR {  864}
   (( segid "FecA" and resid 75   and name HD1 ))
   (( segid "FecA" and resid 74   and name HA  ))
 ASSI {  865}
   (( segid "FecA" and resid 73   and name HD2 ))
   (( segid "FecA" and resid 74   and name HA  ))
      2.200     2.200     3.800 peak   865 spectrum    2 weight  0.11000E+01 volume  0.49354E-02 ppm1      3.583 ppm2      4.391 CV     1
 ASSI {  866}
   (( segid "FecA" and resid 77   and name HD2 ))
   (( segid "FecA" and resid 76   and name HA  ))
      2.300     0.600     0.600 peak   866 spectrum    2 weight  0.11000E+01 volume  0.86336E-02 ppm1      3.814 ppm2      4.590 CV     1
 ASSI {  867}
   (( segid "FecA" and resid 77   and name HD1 ))
   (( segid "FecA" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak   867 spectrum    2 weight  0.11000E+01 volume  0.60416E-02 ppm1      3.658 ppm2      4.588 CV     1
 ASSI {  870}
   (( segid "FecA" and resid 73   and name HB2 ))
   (( segid "FecA" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   870 spectrum    2 weight  0.11000E+01 volume  0.12272E-02 ppm1      2.023 ppm2      4.393 CV     1
 ASSI {  871}
   (( segid "FecA" and resid 75   and name HG2 ))
   (( segid "FecA" and resid 74   and name HA  ))
      6.000     4.900     0.000 peak   871 spectrum    2 weight  0.11000E+01 volume  0.14571E-03 ppm1      2.130 ppm2      4.382 CV     1
 ASSI {  872}
   (( segid "FecA" and resid 73   and name HB1 ))
   (( segid "FecA" and resid 74   and name HA  ))
      4.300     2.400     1.700 peak   872 spectrum    2 weight  0.11000E+01 volume  0.75076E-03 ppm1      2.276 ppm2      4.392 CV     1
 ASSI {  874}
   (( segid "FecA" and resid 63   and name HG1 ))
   (( segid "FecA" and resid 63   and name HD2 ))
      2.200     0.600     0.600 peak   874 spectrum    2 weight  0.11000E+01 volume  0.10641E-01 ppm1      2.069 ppm2      3.871 CV     1
 OR {  874}
   (( segid "FecA" and resid 63   and name HG2 ))
   (( segid "FecA" and resid 63   and name HD1 ))
 OR {  874}
   (( segid "FecA" and resid 63   and name HG2 ))
   (( segid "FecA" and resid 63   and name HD2 ))
 OR {  874}
   (( segid "FecA" and resid 63   and name HG1 ))
   (( segid "FecA" and resid 63   and name HD1 ))
 ASSI {  875}
   (( segid "FecA" and resid 63   and name HB2 ))
   (( segid "FecA" and resid 63   and name HD1 ))
      3.100     1.200     1.200 peak   875 spectrum    2 weight  0.11000E+01 volume  0.37697E-02 ppm1      1.563 ppm2      3.868 CV     1
 OR {  875}
   (( segid "FecA" and resid 63   and name HB1 ))
   (( segid "FecA" and resid 63   and name HD2 ))
 OR {  875}
   (( segid "FecA" and resid 63   and name HB1 ))
   (( segid "FecA" and resid 63   and name HD1 ))
 OR {  875}
   (( segid "FecA" and resid 63   and name HB2 ))
   (( segid "FecA" and resid 63   and name HD2 ))
 ASSI {  877}
   (( segid "FecA" and resid 7    and name HD2 ))
   (( segid "FecA" and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   877 spectrum    2 weight  0.11000E+01 volume  0.85720E-02 ppm1      3.803 ppm2      4.518 CV     1
 ASSI {  881}
   (( segid "FecA" and resid 49   and name HA1 ))
   (  segid "FecA" and resid 40   and name HD2%)
      3.600     1.600     1.600 peak   881 spectrum    2 weight  0.11000E+01 volume  0.14264E-02 ppm1      3.035 ppm2     -0.035 CV     1
 ASSI {  883}
   (( segid "FecA" and resid 40   and name HG  ))
   (  segid "FecA" and resid 40   and name HD2%)
      2.200     0.600     0.600 peak   883 spectrum    2 weight  0.11000E+01 volume  0.83600E-02 ppm1      0.843 ppm2     -0.042 CV     1
 ASSI {  889}
   (( segid "FecA" and resid 50   and name HG  ))
   (  segid "FecA" and resid 50   and name HD1%)
      2.500     0.800     0.800 peak   889 spectrum    2 weight  0.11000E+01 volume  0.45804E-02 ppm1      1.411 ppm2     -0.220 CV     1
 ASSI {  892}
   (( segid "FecA" and resid 50   and name HA  ))
   (  segid "FecA" and resid 50   and name HD1%)
      5.200     3.300     0.800 peak   892 spectrum    2 weight  0.11000E+01 volume  0.21353E-03 ppm1      3.706 ppm2     -0.220 CV     1
 ASSI {  899}
   (( segid "FecA" and resid 52   and name HB1 ))
   (  segid "FecA" and resid 40   and name HD1%)
      2.700     0.900     0.900 peak   899 spectrum    2 weight  0.11000E+01 volume  0.25062E-02 ppm1      1.777 ppm2      0.020 CV     1
 ASSI {  900}
   (( segid "FecA" and resid 53   and name HG  ))
   (  segid "FecA" and resid 40   and name HD1%)
      4.400     2.400     1.600 peak   900 spectrum    2 weight  0.11000E+01 volume  0.68935E-03 ppm1      1.377 ppm2      0.028 CV     1
 ASSI {  901}
   (( segid "FecA" and resid 40   and name HB2 ))
   (  segid "FecA" and resid 40   and name HD1%)
      3.000     1.200     1.200 peak   901 spectrum    2 weight  0.11000E+01 volume  0.12125E-02 ppm1      1.109 ppm2      0.020 CV     1
 ASSI {  902}
   (( segid "FecA" and resid 40   and name HB1 ))
   (  segid "FecA" and resid 40   and name HD1%)
      3.300     1.300     1.300 peak   902 spectrum    2 weight  0.11000E+01 volume  0.40318E-02 ppm1      0.891 ppm2      0.020 CV     1
 ASSI {  903}
   (( segid "FecA" and resid 40   and name HG  ))
   (  segid "FecA" and resid 40   and name HD1%)
      2.300     0.700     0.700 peak   903 spectrum    2 weight  0.11000E+01 volume  0.70966E-02 ppm1      0.840 ppm2      0.019 CV     1
 ASSI {  904}
   (( segid "FecA" and resid 63   and name HB1 ))
   (( segid "FecA" and resid 63   and name HG1 ))
      2.200     0.600     0.600 peak   904 spectrum    2 weight  0.11000E+01 volume  0.91819E-02 ppm1      1.566 ppm2      2.073 CV     1
 OR {  904}
   (( segid "FecA" and resid 63   and name HB2 ))
   (( segid "FecA" and resid 63   and name HG2 ))
 OR {  904}
   (( segid "FecA" and resid 63   and name HB1 ))
   (( segid "FecA" and resid 63   and name HG2 ))
 OR {  904}
   (( segid "FecA" and resid 63   and name HB2 ))
   (( segid "FecA" and resid 63   and name HG1 ))
 ASSI {  906}
   (( segid "FecA" and resid 25   and name HB2 ))
   (( segid "FecA" and resid 25   and name HG  ))
      2.300     0.700     0.700 peak   906 spectrum    2 weight  0.11000E+01 volume  0.55300E-02 ppm1      1.743 ppm2      1.543 CV     1
 ASSI {  907}
   (( segid "FecA" and resid 71   and name HB1 ))
   (( segid "FecA" and resid 71   and name HG  ))
      2.900     1.100     1.100 peak   907 spectrum    2 weight  0.11000E+01 volume  0.21851E-02 ppm1      1.415 ppm2      1.666 CV     1
 ASSI {  909}
   (( segid "FecA" and resid 75   and name HB1 ))
   (( segid "FecA" and resid 75   and name HG1 ))
      2.500     0.800     0.800 peak   909 spectrum    2 weight  0.11000E+01 volume  0.34947E-02 ppm1      2.379 ppm2      1.955 CV     1
 ASSI {  910}
   (( segid "FecA" and resid 75   and name HG2 ))
   (( segid "FecA" and resid 75   and name HG1 ))
      1.800     0.400     0.400 peak   910 spectrum    2 weight  0.11000E+01 volume  0.11929E-01 ppm1      2.175 ppm2      1.959 CV     1
 ASSI {  912}
   (( segid "FecA" and resid 40   and name HG  ))
   (( segid "FecA" and resid 52   and name HB2 ))
      4.300     2.300     1.700 peak   912 spectrum    2 weight  0.11000E+01 volume  0.95183E-03 ppm1      0.859 ppm2      1.947 CV     1
 ASSI {  913}
   (( segid "FecA" and resid 70   and name HB  ))
   (( segid "FecA" and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   913 spectrum    2 weight  0.11000E+01 volume  0.66598E-03 ppm1      4.164 ppm2      3.874 CV     1
 ASSI {  914}
   (( segid "FecA" and resid 70   and name HB  ))
   (( segid "FecA" and resid 26   and name HB1 ))
      3.900     1.900     1.900 peak   914 spectrum    2 weight  0.11000E+01 volume  0.58629E-03 ppm1      4.155 ppm2      3.730 CV     1
 ASSI {  915}
   (( segid "FecA" and resid 70   and name HA  ))
   (( segid "FecA" and resid 26   and name HB2 ))
      4.600     2.600     1.400 peak   915 spectrum    2 weight  0.11000E+01 volume  0.14980E-03 ppm1      5.181 ppm2      3.868 CV     1
 ASSI {  916}
   (( segid "FecA" and resid 70   and name HA  ))
   (( segid "FecA" and resid 26   and name HB1 ))
      5.500     3.800     0.500 peak   916 spectrum    2 weight  0.11000E+01 volume  0.62671E-04 ppm1      5.184 ppm2      3.720 CV     1
 ASSI {  917}
   (  segid "FecA" and resid 40   and name HD1%)
   (  segid "FecA" and resid 3    and name HG1%)
      3.200     3.200     2.800 peak   917 spectrum    2 weight  0.11000E+01 volume  0.44226E-02 ppm1     -0.045 ppm2      0.847 CV     1
 ASSI {  918}
   (( segid "FecA" and resid 31   and name HB2 ))
   (  segid "FecA" and resid 27   and name HG2%)
      4.400     2.500     1.600 peak   918 spectrum    2 weight  0.11000E+01 volume  0.16971E-03 ppm1      1.935 ppm2      0.992 CV     1
 ASSI {  919}
   (  segid "FecA" and resid 27   and name HG1%)
   (  segid "FecA" and resid 27   and name HG2%)
      5.800     4.200     0.200 peak   919 spectrum    2 weight  0.11000E+01 volume  0.47393E-04 ppm1      0.841 ppm2      3.162 CV     1
 ASSI {  920}
   (( segid "FecA" and resid 31   and name HB1 ))
   (  segid "FecA" and resid 31   and name HD2%)
      2.400     0.700     0.700 peak   920 spectrum    2 weight  0.11000E+01 volume  0.66962E-02 ppm1      1.522 ppm2      0.856 CV     1
 ASSI {  921}
   (  segid "FecA" and resid 40   and name HD2%)
   (( segid "FecA" and resid 52   and name HG2 ))
      5.100     3.300     0.900 peak   921 spectrum    2 weight  0.11000E+01 volume  0.19756E-03 ppm1     -0.045 ppm2      2.283 CV     1
 ASSI {    1}
   (  segid "FecA" and resid 17   and name HD% )
   (( segid "FecA" and resid 20   and name HD2 ))
      4.500     2.500     1.500 peak     1 spectrum    3 weight  0.11000E+01 volume  0.28584E-03 ppm1      6.937 ppm2      7.107 CV     1
 ASSI {    1}
   (  segid "FecA" and resid 23   and name HD% )
   (( segid "FecA" and resid 69   and name HE3 ))
      3.900     1.900     1.900 peak     1 spectrum    3 weight  0.11000E+01 volume  0.94708E-03 ppm1      6.892 ppm2      7.182 CV     1
 ASSI {    2}
   (( segid "FecA" and resid 69   and name HZ3 ))
   (( segid "FecA" and resid 69   and name HE3 ))
      2.400     0.700     0.700 peak     2 spectrum    3 weight  0.11000E+01 volume  0.50381E-02 ppm1      6.836 ppm2      7.177 CV     1
 ASSI {    3}
   (( segid "FecA" and resid 69   and name HZ3 ))
   (( segid "FecA" and resid 69   and name HH2 ))
      2.300     0.700     0.700 peak     3 spectrum    3 weight  0.11000E+01 volume  0.56462E-02 ppm1      6.834 ppm2      7.106 CV     1
 ASSI {    4}
   (  segid "FecA" and resid 17   and name HE% )
   (( segid "FecA" and resid 20   and name HD2 ))
      4.100     2.100     1.900 peak     4 spectrum    3 weight  0.11000E+01 volume  0.78798E-03 ppm1      6.730 ppm2      7.107 CV     1
 ASSI {    5}
   (( segid "FecA" and resid 69   and name HH2 ))
   (( segid "FecA" and resid 69   and name HZ2 ))
      2.400     0.700     0.700 peak     5 spectrum    3 weight  0.11000E+01 volume  0.61773E-02 ppm1      7.108 ppm2      7.298 CV     1
 ASSI {    6}
   (( segid "FecA" and resid 69   and name HZ3 ))
   (( segid "FecA" and resid 69   and name HZ2 ))
      4.400     2.400     1.600 peak     6 spectrum    3 weight  0.11000E+01 volume  0.63775E-03 ppm1      6.830 ppm2      7.294 CV     1
 ASSI {    7}
   (( segid "FecA" and resid 23   and name HZ  ))
   (  segid "FecA" and resid 17   and name HD% )
      2.200     0.600     0.600 peak     7 spectrum    3 weight  0.11000E+01 volume  0.52810E-02 ppm1      6.781 ppm2      6.940 CV     1
 ASSI {    8}
   (  segid "FecA" and resid 17   and name HE% )
   (  segid "FecA" and resid 17   and name HD% )
      2.100     0.500     0.500 peak     8 spectrum    3 weight  0.11000E+01 volume  0.12419E-01 ppm1      6.740 ppm2      6.936 CV     1
 ASSI {    9}
   (  segid "FecA" and resid 23   and name HE% )
   (  segid "FecA" and resid 17   and name HD% )
      3.000     1.200     1.200 peak     9 spectrum    3 weight  0.11000E+01 volume  0.18164E-02 ppm1      6.570 ppm2      6.939 CV     1
 ASSI {   10}
   (  segid "FecA" and resid 23   and name HE% )
   (  segid "FecA" and resid 23   and name HD% )
      2.100     0.600     0.600 peak    10 spectrum    3 weight  0.11000E+01 volume  0.99087E-02 ppm1      6.570 ppm2      6.889 CV     1
 ASSI {   11}
   (( segid "FecA" and resid 23   and name HZ  ))
   (  segid "FecA" and resid 23   and name HD% )
      3.900     1.900     1.900 peak    11 spectrum    3 weight  0.11000E+01 volume  0.94508E-03 ppm1      6.784 ppm2      6.885 CV     1
 ASSI {   12}
   (( segid "FecA" and resid 69   and name HD1 ))
   (  segid "FecA" and resid 23   and name HD% )
      2.900     2.900     3.100 peak    12 spectrum    3 weight  0.11000E+01 volume  0.30164E-02 ppm1      6.811 ppm2      6.891 CV     1
 ASSI {   13}
   (  segid "FecA" and resid 44   and name HE% )
   (  segid "FecA" and resid 44   and name HD% )
      2.200     0.600     0.600 peak    13 spectrum    3 weight  0.11000E+01 volume  0.99293E-02 ppm1      6.515 ppm2      6.800 CV     1
 ASSI {   14}
   (  segid "FecA" and resid 23   and name HE% )
   (( segid "FecA" and resid 23   and name HZ  ))
      2.000     0.500     0.500 peak    14 spectrum    3 weight  0.11000E+01 volume  0.98078E-02 ppm1      6.571 ppm2      6.780 CV     1
 ASSI {   15}
   (  segid "FecA" and resid 23   and name HE% )
   (  segid "FecA" and resid 17   and name HE% )
      3.900     1.900     1.900 peak    15 spectrum    3 weight  0.11000E+01 volume  0.42927E-03 ppm1      6.567 ppm2      6.739 CV     1
 ASSI {   16}
   (( segid "FecA" and resid 68   and name HA  ))
   (( segid "FecA" and resid 69   and name HE3 ))
      4.400     2.500     1.600 peak    16 spectrum    3 weight  0.11000E+01 volume  0.41002E-03 ppm1      5.718 ppm2      7.180 CV     1
 ASSI {   17}
   (( segid "FecA" and resid 69   and name HA  ))
   (( segid "FecA" and resid 69   and name HE3 ))
      4.600     2.600     1.400 peak    17 spectrum    3 weight  0.11000E+01 volume  0.79197E-03 ppm1      5.077 ppm2      7.180 CV     1
 ASSI {   18}
   (( segid "FecA" and resid 63   and name HA  ))
   (( segid "FecA" and resid 69   and name HE3 ))
      4.300     2.300     1.700 peak    18 spectrum    3 weight  0.11000E+01 volume  0.15292E-02 ppm1      3.992 ppm2      7.180 CV     1
 ASSI {   19}
   (( segid "FecA" and resid 69   and name HB2 ))
   (( segid "FecA" and resid 69   and name HE3 ))
      2.800     1.000     1.000 peak    19 spectrum    3 weight  0.11000E+01 volume  0.16107E-02 ppm1      3.078 ppm2      7.184 CV     1
 ASSI {   20}
   (( segid "FecA" and resid 69   and name HB1 ))
   (( segid "FecA" and resid 69   and name HE3 ))
      4.000     2.000     2.000 peak    20 spectrum    3 weight  0.11000E+01 volume  0.10775E-02 ppm1      2.830 ppm2      7.185 CV     1
 ASSI {   21}
   (( segid "FecA" and resid 61   and name HB  ))
   (( segid "FecA" and resid 69   and name HE3 ))
      4.800     2.800     1.200 peak    21 spectrum    3 weight  0.11000E+01 volume  0.22236E-03 ppm1      2.050 ppm2      7.185 CV     1
 ASSI {   22}
   (  segid "FecA" and resid 25   and name HD1%)
   (( segid "FecA" and resid 69   and name HE3 ))
      2.800     1.000     1.000 peak    22 spectrum    3 weight  0.11000E+01 volume  0.21548E-02 ppm1      0.913 ppm2      7.183 CV     1
 ASSI {   23}
   (( segid "FecA" and resid 21   and name HA  ))
   (( segid "FecA" and resid 20   and name HD2 ))
      3.800     3.800     2.200 peak    23 spectrum    3 weight  0.11000E+01 volume  0.71700E-03 ppm1      4.404 ppm2      7.109 CV     1
 ASSI {   24}
   (( segid "FecA" and resid 20   and name HB1 ))
   (( segid "FecA" and resid 20   and name HD2 ))
      3.300     1.400     1.400 peak    24 spectrum    3 weight  0.11000E+01 volume  0.12428E-02 ppm1      3.308 ppm2      7.110 CV     1
 OR {   24}
   (( segid "FecA" and resid 20   and name HB2 ))
   (( segid "FecA" and resid 20   and name HD2 ))
 ASSI {   25}
   (  segid "FecA" and resid 3    and name HG1%)
   (( segid "FecA" and resid 20   and name HD2 ))
      4.000     2.000     2.000 peak    25 spectrum    3 weight  0.11000E+01 volume  0.51914E-03 ppm1      0.855 ppm2      7.110 CV     1
 ASSI {   26}
   (( segid "FecA" and resid 17   and name HA  ))
   (  segid "FecA" and resid 17   and name HD% )
      2.600     2.600     3.400 peak    26 spectrum    3 weight  0.11000E+01 volume  0.54403E-02 ppm1      4.504 ppm2      6.940 CV     1
 ASSI {   27}
   (( segid "FecA" and resid 20   and name HB2 ))
   (  segid "FecA" and resid 17   and name HD% )
      3.200     1.200     1.200 peak    27 spectrum    3 weight  0.11000E+01 volume  0.13621E-02 ppm1      3.311 ppm2      6.941 CV     1
 OR {   27}
   (( segid "FecA" and resid 20   and name HB1 ))
   (  segid "FecA" and resid 17   and name HD% )
 ASSI {   28}
   (( segid "FecA" and resid 17   and name HB2 ))
   (  segid "FecA" and resid 17   and name HD% )
      2.700     0.900     0.900 peak    28 spectrum    3 weight  0.11000E+01 volume  0.20507E-02 ppm1      3.102 ppm2      6.938 CV     1
 ASSI {   29}
   (( segid "FecA" and resid 17   and name HB1 ))
   (  segid "FecA" and resid 17   and name HD% )
      2.700     0.900     0.900 peak    29 spectrum    3 weight  0.11000E+01 volume  0.37281E-02 ppm1      3.007 ppm2      6.940 CV     1
 ASSI {   30}
   (( segid "FecA" and resid 23   and name HA  ))
   (  segid "FecA" and resid 23   and name HD% )
      3.900     1.900     1.900 peak    30 spectrum    3 weight  0.11000E+01 volume  0.13739E-02 ppm1      5.332 ppm2      6.892 CV     1
 ASSI {   31}
   (( segid "FecA" and resid 21   and name HB2 ))
   (  segid "FecA" and resid 23   and name HD% )
      3.200     1.200     1.200 peak    31 spectrum    3 weight  0.11000E+01 volume  0.27679E-02 ppm1      3.894 ppm2      6.892 CV     1
 ASSI {   32}
   (( segid "FecA" and resid 23   and name HB2 ))
   (  segid "FecA" and resid 23   and name HD% )
      2.800     1.000     1.000 peak    32 spectrum    3 weight  0.11000E+01 volume  0.26843E-02 ppm1      3.448 ppm2      6.891 CV     1
 ASSI {   33}
   (( segid "FecA" and resid 23   and name HB1 ))
   (  segid "FecA" and resid 23   and name HD% )
      2.400     0.700     0.700 peak    33 spectrum    3 weight  0.11000E+01 volume  0.48181E-02 ppm1      3.036 ppm2      6.890 CV     1
 ASSI {   34}
   (( segid "FecA" and resid 18   and name HA  ))
   (  segid "FecA" and resid 23   and name HD% )
      3.700     1.700     1.700 peak    34 spectrum    3 weight  0.11000E+01 volume  0.78751E-03 ppm1      2.131 ppm2      6.891 CV     1
 ASSI {   35}
   (( segid "FecA" and resid 25   and name HG  ))
   (  segid "FecA" and resid 23   and name HD% )
      3.400     1.500     1.500 peak    35 spectrum    3 weight  0.11000E+01 volume  0.10639E-02 ppm1      1.539 ppm2      6.891 CV     1
 ASSI {   36}
   (  segid "FecA" and resid 18   and name HB% )
   (  segid "FecA" and resid 23   and name HD% )
      6.000     5.400     0.000 peak    36 spectrum    3 weight  0.11000E+01 volume  0.32049E-04 ppm1      1.028 ppm2      6.887 CV     1
 ASSI {   37}
   (  segid "FecA" and resid 25   and name HD2%)
   (  segid "FecA" and resid 23   and name HD% )
      3.700     1.700     1.700 peak    37 spectrum    3 weight  0.11000E+01 volume  0.50354E-03 ppm1      0.920 ppm2      6.893 CV     1
 ASSI {   38}
   (  segid "FecA" and resid 25   and name HD1%)
   (  segid "FecA" and resid 23   and name HD% )
      5.500     3.700     0.500 peak    38 spectrum    3 weight  0.11000E+01 volume  0.11007E-03 ppm1      0.870 ppm2      6.890 CV     1
 ASSI {   39}
   (  segid "FecA" and resid 46   and name HG1%)
   (  segid "FecA" and resid 23   and name HD% )
      3.800     1.800     1.800 peak    39 spectrum    3 weight  0.11000E+01 volume  0.67373E-03 ppm1     -0.385 ppm2      6.893 CV     1
 ASSI {   40}
   (( segid "FecA" and resid 50   and name HG  ))
   (  segid "FecA" and resid 17   and name HD% )
      3.700     3.700     2.300 peak    40 spectrum    3 weight  0.11000E+01 volume  0.70608E-03 ppm1      1.423 ppm2      6.934 CV     1
 ASSI {   41}
   (  segid "FecA" and resid 46   and name HG2%)
   (  segid "FecA" and resid 17   and name HD% )
      3.600     1.600     1.600 peak    41 spectrum    3 weight  0.11000E+01 volume  0.18192E-02 ppm1      0.854 ppm2      6.941 CV     1
 ASSI {   42}
   (  segid "FecA" and resid 5    and name HD1%)
   (  segid "FecA" and resid 17   and name HD% )
      4.800     2.800     1.200 peak    42 spectrum    3 weight  0.11000E+01 volume  0.99763E-04 ppm1      0.723 ppm2      6.939 CV     1
 ASSI {   43}
   (  segid "FecA" and resid 50   and name HD2%)
   (  segid "FecA" and resid 17   and name HD% )
      3.100     1.200     1.200 peak    43 spectrum    3 weight  0.11000E+01 volume  0.22469E-02 ppm1      0.660 ppm2      6.940 CV     1
 ASSI {   44}
   (  segid "FecA" and resid 53   and name HD1%)
   (  segid "FecA" and resid 17   and name HD% )
      2.700     2.700     3.300 peak    44 spectrum    3 weight  0.11000E+01 volume  0.15349E-02 ppm1      0.462 ppm2      6.938 CV     1
 ASSI {   45}
   (  segid "FecA" and resid 40   and name HD2%)
   (  segid "FecA" and resid 17   and name HD% )
      4.300     2.300     1.700 peak    45 spectrum    3 weight  0.11000E+01 volume  0.20754E-03 ppm1     -0.042 ppm2      6.933 CV     1
 ASSI {   46}
   (( segid "FecA" and resid 68   and name HA  ))
   (( segid "FecA" and resid 69   and name HD1 ))
      3.200     1.300     1.300 peak    46 spectrum    3 weight  0.11000E+01 volume  0.13967E-02 ppm1      5.717 ppm2      6.811 CV     1
 ASSI {   47}
   (( segid "FecA" and resid 25   and name HA  ))
   (( segid "FecA" and resid 69   and name HZ3 ))
      5.000     3.200     1.000 peak    47 spectrum    3 weight  0.11000E+01 volume  0.57169E-03 ppm1      5.331 ppm2      6.815 CV     1
 ASSI {   48}
   (( segid "FecA" and resid 69   and name HA  ))
   (( segid "FecA" and resid 69   and name HD1 ))
      3.400     1.500     1.500 peak    48 spectrum    3 weight  0.11000E+01 volume  0.83594E-03 ppm1      5.084 ppm2      6.815 CV     1
 ASSI {   49}
   (( segid "FecA" and resid 43   and name HA  ))
   (  segid "FecA" and resid 44   and name HD% )
      5.300     3.600     0.700 peak    49 spectrum    3 weight  0.11000E+01 volume  0.19074E-03 ppm1      4.953 ppm2      6.805 CV     1
 ASSI {   50}
   (( segid "FecA" and resid 48   and name HB2 ))
   (  segid "FecA" and resid 44   and name HD% )
      3.600     1.600     1.600 peak    50 spectrum    3 weight  0.11000E+01 volume  0.79896E-03 ppm1      4.112 ppm2      6.806 CV     1
 ASSI {   51}
   (( segid "FecA" and resid 48   and name HB1 ))
   (  segid "FecA" and resid 44   and name HD% )
      3.400     1.400     1.400 peak    51 spectrum    3 weight  0.11000E+01 volume  0.78839E-03 ppm1      4.059 ppm2      6.804 CV     1
 ASSI {   52}
   (( segid "FecA" and resid 63   and name HA  ))
   (( segid "FecA" and resid 69   and name HD1 ))
      3.100     1.200     1.200 peak    52 spectrum    3 weight  0.11000E+01 volume  0.95941E-03 ppm1      3.992 ppm2      6.813 CV     1
 ASSI {   53}
   (( segid "FecA" and resid 14   and name HA  ))
   (( segid "FecA" and resid 69   and name HZ3 ))
      3.800     1.800     1.800 peak    53 spectrum    3 weight  0.11000E+01 volume  0.79385E-03 ppm1      3.878 ppm2      6.836 CV     1
 ASSI {   54}
   (( segid "FecA" and resid 23   and name HB2 ))
   (( segid "FecA" and resid 69   and name HD1 ))
      3.200     3.200     2.800 peak    54 spectrum    3 weight  0.11000E+01 volume  0.20253E-02 ppm1      3.450 ppm2      6.813 CV     1
 ASSI {   55}
   (( segid "FecA" and resid 44   and name HB2 ))
   (  segid "FecA" and resid 44   and name HD% )
      2.700     0.900     0.900 peak    55 spectrum    3 weight  0.11000E+01 volume  0.25428E-02 ppm1      3.222 ppm2      6.806 CV     1
 ASSI {   56}
   (( segid "FecA" and resid 69   and name HB2 ))
   (( segid "FecA" and resid 69   and name HD1 ))
      3.200     1.300     1.300 peak    56 spectrum    3 weight  0.11000E+01 volume  0.26603E-02 ppm1      3.048 ppm2      6.811 CV     1
 ASSI {   57}
   (( segid "FecA" and resid 69   and name HB1 ))
   (( segid "FecA" and resid 69   and name HD1 ))
      3.400     1.500     1.500 peak    57 spectrum    3 weight  0.11000E+01 volume  0.88491E-03 ppm1      2.825 ppm2      6.812 CV     1
 ASSI {   58}
   (( segid "FecA" and resid 44   and name HB1 ))
   (  segid "FecA" and resid 44   and name HD% )
      2.700     0.900     0.900 peak    58 spectrum    3 weight  0.11000E+01 volume  0.31387E-02 ppm1      2.394 ppm2      6.805 CV     1
 ASSI {   59}
   (( segid "FecA" and resid 18   and name HA  ))
   (( segid "FecA" and resid 23   and name HZ  ))
      3.100     1.200     1.200 peak    59 spectrum    3 weight  0.11000E+01 volume  0.10039E-02 ppm1      2.125 ppm2      6.780 CV     1
 ASSI {   60}
   (  segid "FecA" and resid 25   and name HD2%)
   (( segid "FecA" and resid 69   and name HZ3 ))
      5.600     3.900     0.400 peak    60 spectrum    3 weight  0.11000E+01 volume  0.58779E-04 ppm1      0.911 ppm2      6.815 CV     1
 ASSI {   61}
   (  segid "FecA" and resid 46   and name HG2%)
   (( segid "FecA" and resid 23   and name HZ  ))
      3.300     3.300     2.700 peak    61 spectrum    3 weight  0.11000E+01 volume  0.22473E-02 ppm1      0.855 ppm2      6.806 CV     1
 ASSI {   62}
   (  segid "FecA" and resid 50   and name HD2%)
   (( segid "FecA" and resid 23   and name HZ  ))
      3.400     1.400     1.400 peak    62 spectrum    3 weight  0.11000E+01 volume  0.24841E-02 ppm1      0.661 ppm2      6.782 CV     1
 ASSI {   63}
   (  segid "FecA" and resid 40   and name HD1%)
   (  segid "FecA" and resid 44   and name HD% )
      4.400     2.400     1.600 peak    63 spectrum    3 weight  0.11000E+01 volume  0.30397E-03 ppm1      0.020 ppm2      6.810 CV     1
 ASSI {   64}
   (  segid "FecA" and resid 40   and name HD2%)
   (  segid "FecA" and resid 44   and name HD% )
      4.000     2.000     2.000 peak    64 spectrum    3 weight  0.11000E+01 volume  0.37351E-03 ppm1     -0.040 ppm2      6.805 CV     1
 ASSI {   65}
   (  segid "FecA" and resid 50   and name HD1%)
   (( segid "FecA" and resid 23   and name HZ  ))
      5.100     3.300     0.900 peak    65 spectrum    3 weight  0.11000E+01 volume  0.18915E-03 ppm1     -0.224 ppm2      6.779 CV     1
 ASSI {   66}
   (  segid "FecA" and resid 46   and name HG1%)
   (  segid "FecA" and resid 17   and name HE% )
      4.400     2.400     1.600 peak    66 spectrum    3 weight  0.11000E+01 volume  0.33978E-03 ppm1     -0.388 ppm2      6.730 CV     1
 ASSI {   67}
   (  segid "FecA" and resid 46   and name HG1%)
   (  segid "FecA" and resid 23   and name HE% )
      3.900     1.900     1.900 peak    67 spectrum    3 weight  0.11000E+01 volume  0.62207E-03 ppm1     -0.387 ppm2      6.566 CV     1
 ASSI {   68}
   (  segid "FecA" and resid 50   and name HD1%)
   (  segid "FecA" and resid 23   and name HE% )
      3.900     3.900     2.100 peak    68 spectrum    3 weight  0.11000E+01 volume  0.77248E-03 ppm1     -0.221 ppm2      6.569 CV     1
 ASSI {   69}
   (  segid "FecA" and resid 50   and name HD1%)
   (  segid "FecA" and resid 17   and name HE% )
      4.400     2.400     1.600 peak    69 spectrum    3 weight  0.11000E+01 volume  0.33869E-03 ppm1     -0.224 ppm2      6.733 CV     1
 ASSI {   70}
   (  segid "FecA" and resid 40   and name HD2%)
   (  segid "FecA" and resid 17   and name HE% )
      3.600     1.600     1.600 peak    70 spectrum    3 weight  0.11000E+01 volume  0.94174E-03 ppm1     -0.042 ppm2      6.733 CV     1
 ASSI {   71}
   (  segid "FecA" and resid 40   and name HD1%)
   (  segid "FecA" and resid 44   and name HE% )
      3.400     1.500     1.500 peak    71 spectrum    3 weight  0.11000E+01 volume  0.76596E-03 ppm1      0.021 ppm2      6.512 CV     1
 ASSI {   72}
   (  segid "FecA" and resid 53   and name HD1%)
   (  segid "FecA" and resid 17   and name HE% )
      3.500     3.500     2.500 peak    72 spectrum    3 weight  0.11000E+01 volume  0.32531E-03 ppm1      0.466 ppm2      6.737 CV     1
 ASSI {   73}
   (  segid "FecA" and resid 50   and name HD2%)
   (  segid "FecA" and resid 17   and name HE% )
      3.500     1.500     1.500 peak    73 spectrum    3 weight  0.11000E+01 volume  0.11420E-02 ppm1      0.660 ppm2      6.735 CV     1
 ASSI {   74}
   (  segid "FecA" and resid 50   and name HD2%)
   (  segid "FecA" and resid 23   and name HE% )
      3.600     1.600     1.600 peak    74 spectrum    3 weight  0.11000E+01 volume  0.14698E-02 ppm1      0.662 ppm2      6.569 CV     1
 ASSI {   75}
   (  segid "FecA" and resid 46   and name HG2%)
   (  segid "FecA" and resid 17   and name HE% )
      2.800     1.000     1.000 peak    75 spectrum    3 weight  0.11000E+01 volume  0.30733E-02 ppm1      0.856 ppm2      6.734 CV     1
 ASSI {   76}
   (  segid "FecA" and resid 25   and name HD1%)
   (  segid "FecA" and resid 23   and name HE% )
      3.400     1.400     1.400 peak    76 spectrum    3 weight  0.11000E+01 volume  0.12202E-02 ppm1      0.872 ppm2      6.570 CV     1
 ASSI {   77}
   (  segid "FecA" and resid 25   and name HD2%)
   (  segid "FecA" and resid 23   and name HE% )
      2.800     2.800     3.200 peak    77 spectrum    3 weight  0.11000E+01 volume  0.27903E-02 ppm1      0.922 ppm2      6.569 CV     1
 ASSI {   78}
   (  segid "FecA" and resid 18   and name HB% )
   (  segid "FecA" and resid 23   and name HE% )
      3.200     1.300     1.300 peak    78 spectrum    3 weight  0.11000E+01 volume  0.17315E-02 ppm1      1.027 ppm2      6.567 CV     1
 ASSI {   79}
   (( segid "FecA" and resid 50   and name HG  ))
   (  segid "FecA" and resid 17   and name HE% )
      2.800     2.800     3.200 peak    79 spectrum    3 weight  0.11000E+01 volume  0.34212E-02 ppm1      1.419 ppm2      6.736 CV     1
 ASSI {   80}
   (( segid "FecA" and resid 25   and name HG  ))
   (  segid "FecA" and resid 23   and name HE% )
      2.800     1.000     1.000 peak    80 spectrum    3 weight  0.11000E+01 volume  0.25758E-02 ppm1      1.539 ppm2      6.569 CV     1
 ASSI {   81}
   (( segid "FecA" and resid 18   and name HA  ))
   (  segid "FecA" and resid 23   and name HE% )
      3.000     1.100     1.100 peak    81 spectrum    3 weight  0.11000E+01 volume  0.19020E-02 ppm1      2.125 ppm2      6.569 CV     1
 ASSI {   82}
   (( segid "FecA" and resid 21   and name HB2 ))
   (  segid "FecA" and resid 23   and name HE% )
      3.100     1.200     1.200 peak    82 spectrum    3 weight  0.11000E+01 volume  0.19820E-02 ppm1      3.894 ppm2      6.568 CV     1
 ASSI {   83}
   (( segid "FecA" and resid 40   and name HA  ))
   (  segid "FecA" and resid 44   and name HE% )
      4.300     4.300     1.700 peak    83 spectrum    3 weight  0.11000E+01 volume  0.78041E-03 ppm1      4.346 ppm2      6.516 CV     1
 ASSI {   84}
   (( segid "FecA" and resid 42   and name HA2 ))
   (  segid "FecA" and resid 44   and name HE% )
      4.500     2.500     1.500 peak    84 spectrum    3 weight  0.11000E+01 volume  0.14736E-02 ppm1      4.380 ppm2      6.512 CV     1
 ASSI {   86}
   (( segid "FecA" and resid 41   and name HA  ))
   (( segid "FecA" and resid 41   and name HD2 ))
      4.300     2.400     1.700 peak    86 spectrum    3 weight  0.11000E+01 volume  0.26622E-03 ppm1      5.475 ppm2      7.237 CV     1
 ASSI {   87}
   (( segid "FecA" and resid 4    and name HA  ))
   (( segid "FecA" and resid 41   and name HD2 ))
      4.600     2.700     1.400 peak    87 spectrum    3 weight  0.11000E+01 volume  0.18605E-03 ppm1      5.197 ppm2      7.240 CV     1
 ASSI {   88}
   (( segid "FecA" and resid 40   and name HG  ))
   (  segid "FecA" and resid 44   and name HE% )
      3.800     1.800     1.800 peak    88 spectrum    3 weight  0.11000E+01 volume  0.53873E-03 ppm1      0.844 ppm2      6.511 CV     1
 ASSI {   31}
   (( segid "FecA" and resid 28   and name HN  ))
   (  segid "FecA" and resid 29   and name HB% )
      5.500     3.800     0.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.21901E-03 ppm1      8.242 ppm2      1.533 CV     1
 OR {   31}
   (( segid "FecA" and resid 28   and name HN  ))
   (( segid "FecA" and resid 31   and name HB1 ))
 ASSI {  163}
   (( segid "FecA" and resid 41   and name HN  ))
   (( segid "FecA" and resid 42   and name HN  ))
      4.000     2.000     2.000 peak   163 spectrum    1 weight  0.11000E+01 volume  0.76919E-03 ppm1      8.959 ppm2      8.428 CV     1
 OR {  163}
   (( segid "FecA" and resid 41   and name HN  ))
   (( segid "FecA" and resid 40   and name HN  ))
 ASSI {  134}
   (  segid "FecA" and resid 27   and name HG1%)
   (( segid "FecA" and resid 31   and name HB1 ))
      3.000     1.200     1.200 peak   134 spectrum    2 weight  0.10000E+01 volume  0.20692E-02 ppm1      0.793 ppm2      1.533 CV     1
 OR {  134}
   (  segid "FecA" and resid 32   and name HG2%)
   (( segid "FecA" and resid 31   and name HB1 ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1HT       ALA   1  -6.677 -17.129  -7.751
    2   2H    ALA   1          2HT       ALA   1  -6.039 -17.444  -6.218
    3   3H    ALA   1          3HT       ALA   1  -7.087 -16.131  -6.442
    4    HA   ALA   1           HA       ALA   1  -8.861 -17.682  -7.050
    5   1HB   ALA   1          1HB       ALA   1  -6.884 -19.758  -6.137
    6   2HB   ALA   1          2HB       ALA   1  -7.439 -19.518  -7.794
    7   3HB   ALA   1          3HB       ALA   1  -8.570 -20.055  -6.550
    8    H    GLN   2           H        GLN   2  -6.572 -17.537  -4.458
    9    HA   GLN   2           HA       GLN   2  -8.734 -16.914  -2.620
   10   1HB   GLN   2          2HB       GLN   2  -7.835 -18.406  -0.864
   11   2HB   GLN   2          1HB       GLN   2  -8.435 -19.300  -2.254
   12   1HG   GLN   2          2HG       GLN   2  -6.135 -19.564  -3.057
   13   2HG   GLN   2          1HG       GLN   2  -5.551 -18.704  -1.632
   14   1HE2  GLN   2          1HE2      GLN   2  -6.944 -21.628  -2.853
   15   2HE2  GLN   2          2HE2      GLN   2  -6.674 -22.591  -1.433
   16    H    VAL   3           H        VAL   3  -8.163 -15.368  -1.141
   17    HA   VAL   3           HA       VAL   3  -5.350 -14.551  -1.024
   18    HB   VAL   3           HB       VAL   3  -7.597 -12.635  -1.692
   19   1HG1  VAL   3          1HG1      VAL   3  -5.871 -11.605  -0.346
   20   2HG1  VAL   3          2HG1      VAL   3  -5.795 -10.999  -1.999
   21   3HG1  VAL   3          3HG1      VAL   3  -4.629 -12.198  -1.444
   22   1HG2  VAL   3          1HG2      VAL   3  -5.359 -13.652  -3.437
   23   2HG2  VAL   3          2HG2      VAL   3  -6.502 -12.382  -3.870
   24   3HG2  VAL   3          3HG2      VAL   3  -7.072 -14.029  -3.612
   25    H    ASN   4           H        ASN   4  -4.758 -13.571   0.887
   26    HA   ASN   4           HA       ASN   4  -6.870 -12.986   2.816
   27   1HB   ASN   4          2HB       ASN   4  -5.414 -13.917   4.634
   28   2HB   ASN   4          1HB       ASN   4  -6.049 -15.127   3.529
   29   1HD2  ASN   4          1HD2      ASN   4  -3.226 -13.544   4.723
   30   2HD2  ASN   4          2HD2      ASN   4  -2.064 -14.537   3.913
   31    H    ILE   5           H        ILE   5  -6.769 -10.897   3.147
   32    HA   ILE   5           HA       ILE   5  -4.162  -9.630   3.613
   33    HB   ILE   5           HB       ILE   5  -6.293  -8.504   1.768
   34   1HG1  ILE   5          2HG1      ILE   5  -3.500  -9.516   1.189
   35   2HG1  ILE   5          1HG1      ILE   5  -5.003 -10.301   0.722
   36   1HG2  ILE   5          1HG2      ILE   5  -3.614  -7.347   2.538
   37   2HG2  ILE   5          2HG2      ILE   5  -5.190  -6.742   3.048
   38   3HG2  ILE   5          3HG2      ILE   5  -4.728  -6.674   1.347
   39   1HD1  ILE   5          1HD1      ILE   5  -5.535  -8.452  -0.751
   40   2HD1  ILE   5          2HD1      ILE   5  -3.954  -9.129  -1.141
   41   3HD1  ILE   5          3HD1      ILE   5  -4.068  -7.612  -0.250
   42    H    ALA   6           H        ALA   6  -4.369  -7.574   4.785
   43    HA   ALA   6           HA       ALA   6  -6.836  -6.951   6.114
   44   1HB   ALA   6          1HB       ALA   6  -6.088  -7.581   8.369
   45   2HB   ALA   6          2HB       ALA   6  -4.632  -8.302   7.683
   46   3HB   ALA   6          3HB       ALA   6  -6.211  -8.992   7.319
   47    HA   PRO   7           HA       PRO   7  -5.369  -2.901   6.842
   48   1HB   PRO   7          2HB       PRO   7  -4.906  -3.079   9.680
   49   2HB   PRO   7          1HB       PRO   7  -6.218  -2.269   8.823
   50   1HG   PRO   7          2HG       PRO   7  -6.160  -4.929  10.081
   51   2HG   PRO   7          1HG       PRO   7  -7.547  -3.900   9.689
   52   1HD   PRO   7          2HD       PRO   7  -7.022  -6.157   8.325
   53   2HD   PRO   7          1HD       PRO   7  -7.701  -4.719   7.526
   54    H    GLY   8           H        GLY   8  -3.496  -1.912   6.591
   55   1HA   GLY   8          2HA       GLY   8  -1.161  -2.329   8.088
   56   2HA   GLY   8          1HA       GLY   8  -1.054  -3.275   6.605
   57    H    SER   9           H        SER   9  -1.415  -2.151   4.594
   58    HA   SER   9           HA       SER   9  -1.754   0.549   4.181
   59   1HB   SER   9          2HB       SER   9   0.503   0.667   5.411
   60   2HB   SER   9          1HB       SER   9   1.197  -0.123   3.997
   61    HG   SER   9           HG       SER   9   1.175   1.714   3.003
   62    H    LEU  10           H        LEU  10  -1.601   0.994   1.784
   63    HA   LEU  10           HA       LEU  10  -2.327  -1.294   0.366
   64   1HB   LEU  10          2HB       LEU  10  -2.964   0.994  -0.273
   65   2HB   LEU  10          1HB       LEU  10  -1.300   1.332  -0.716
   66    HG   LEU  10           HG       LEU  10  -1.442  -0.420  -2.470
   67   1HD1  LEU  10          1HD1      LEU  10  -3.161  -1.819  -1.501
   68   2HD1  LEU  10          2HD1      LEU  10  -3.654  -1.277  -3.105
   69   3HD1  LEU  10          3HD1      LEU  10  -4.345  -0.522  -1.669
   70   1HD2  LEU  10          1HD2      LEU  10  -1.828   1.906  -3.051
   71   2HD2  LEU  10          2HD2      LEU  10  -3.533   1.747  -2.634
   72   3HD2  LEU  10          3HD2      LEU  10  -2.871   0.850  -4.001
   73    H    ASP  11           H        ASP  11   0.749   0.448   0.470
   74    HA   ASP  11           HA       ASP  11   2.212  -0.901  -1.409
   75   1HB   ASP  11          2HB       ASP  11   4.217  -0.421   0.065
   76   2HB   ASP  11          1HB       ASP  11   3.214   0.959  -0.347
   77    H    LYS  12           H        LYS  12   2.028  -1.837   2.049
   78    HA   LYS  12           HA       LYS  12   3.473  -4.226   1.704
   79   1HB   LYS  12          2HB       LYS  12   1.593  -3.267   3.850
   80   2HB   LYS  12          1HB       LYS  12   2.349  -4.852   3.920
   81   1HG   LYS  12          2HG       LYS  12   4.561  -3.777   3.827
   82   2HG   LYS  12          1HG       LYS  12   3.773  -2.198   3.832
   83   1HD   LYS  12          2HD       LYS  12   3.390  -4.255   6.003
   84   2HD   LYS  12          1HD       LYS  12   4.626  -3.000   6.065
   85   1HE   LYS  12          2HE       LYS  12   2.885  -1.283   5.921
   86   2HE   LYS  12          1HE       LYS  12   1.654  -2.543   5.857
   87   1HZ   LYS  12          1HZ       LYS  12   3.552  -2.305   8.123
   88   2HZ   LYS  12          2HZ       LYS  12   2.095  -3.171   8.061
   89   3HZ   LYS  12          3HZ       LYS  12   2.073  -1.476   8.095
   90    H    ALA  13           H        ALA  13   0.127  -3.449   1.147
   91    HA   ALA  13           HA       ALA  13  -0.928  -6.080   1.330
   92   1HB   ALA  13          1HB       ALA  13  -2.356  -4.084   1.416
   93   2HB   ALA  13          2HB       ALA  13  -2.860  -5.190   0.136
   94   3HB   ALA  13          3HB       ALA  13  -1.954  -3.731  -0.265
   95    H    LEU  14           H        LEU  14  -0.076  -4.062  -1.492
   96    HA   LEU  14           HA       LEU  14  -0.242  -6.044  -3.437
   97   1HB   LEU  14          2HB       LEU  14   1.587  -3.643  -3.335
   98   2HB   LEU  14          1HB       LEU  14   1.247  -4.588  -4.771
   99    HG   LEU  14           HG       LEU  14  -0.788  -2.981  -3.222
  100   1HD1  LEU  14          1HD1      LEU  14   0.822  -1.572  -4.392
  101   2HD1  LEU  14          2HD1      LEU  14  -0.766  -1.495  -5.154
  102   3HD1  LEU  14          3HD1      LEU  14   0.519  -2.457  -5.887
  103   1HD2  LEU  14          1HD2      LEU  14  -1.740  -4.963  -4.311
  104   2HD2  LEU  14          2HD2      LEU  14  -1.028  -4.455  -5.844
  105   3HD2  LEU  14          3HD2      LEU  14  -2.280  -3.471  -5.083
  106    H    ASN  15           H        ASN  15   2.429  -5.149  -1.318
  107    HA   ASN  15           HA       ASN  15   4.440  -6.718  -2.495
  108   1HB   ASN  15          2HB       ASN  15   4.791  -4.977  -0.723
  109   2HB   ASN  15          1HB       ASN  15   4.099  -6.087   0.451
  110   1HD2  ASN  15          1HD2      ASN  15   6.744  -4.865   0.335
  111   2HD2  ASN  15          2HD2      ASN  15   7.878  -6.175   0.336
  112    H    GLN  16           H        GLN  16   2.121  -7.446   0.088
  113    HA   GLN  16           HA       GLN  16   2.946 -10.068   0.586
  114   1HB   GLN  16          2HB       GLN  16   1.487  -8.717   2.067
  115   2HB   GLN  16          1HB       GLN  16   0.180  -8.884   0.906
  116   1HG   GLN  16          2HG       GLN  16   1.463 -11.319   2.055
  117   2HG   GLN  16          1HG       GLN  16   0.285 -10.415   3.000
  118   1HE2  GLN  16          1HE2      GLN  16  -1.234  -9.630   0.624
  119   2HE2  GLN  16          2HE2      GLN  16  -2.104 -11.041   0.134
  120    H    TYR  17           H        TYR  17   0.576  -8.795  -1.776
  121    HA   TYR  17           HA       TYR  17  -0.433 -11.347  -2.496
  122   1HB   TYR  17          2HB       TYR  17  -1.449  -8.975  -2.908
  123   2HB   TYR  17          1HB       TYR  17  -0.432  -8.969  -4.343
  124    HD1  TYR  17           1HD      TYR  17  -0.666 -11.362  -5.703
  125    HD2  TYR  17           2HD      TYR  17  -3.656  -9.543  -3.283
  126    HE1  TYR  17           1HE      TYR  17  -2.401 -12.591  -6.925
  127    HE2  TYR  17           2HE      TYR  17  -5.393 -10.769  -4.497
  128    HH   TYR  17           HH       TYR  17  -5.672 -11.848  -6.741
  129    H    ALA  18           H        ALA  18   2.103  -9.230  -3.776
  130    HA   ALA  18           HA       ALA  18   2.861 -10.591  -6.032
  131   1HB   ALA  18          1HB       ALA  18   5.046  -9.599  -5.784
  132   2HB   ALA  18          2HB       ALA  18   4.749  -9.296  -4.073
  133   3HB   ALA  18          3HB       ALA  18   3.810  -8.440  -5.297
  134    H    ALA  19           H        ALA  19   3.815 -11.297  -2.701
  135    HA   ALA  19           HA       ALA  19   5.683 -13.317  -3.285
  136   1HB   ALA  19          1HB       ALA  19   3.990 -12.985  -0.811
  137   2HB   ALA  19          2HB       ALA  19   5.538 -12.197  -1.115
  138   3HB   ALA  19          3HB       ALA  19   5.460 -13.950  -0.946
  139    H    HIS  20           H        HIS  20   2.235 -13.340  -3.295
  140    HA   HIS  20           HA       HIS  20   1.765 -16.062  -2.793
  141   1HB   HIS  20          2HB       HIS  20  -0.008 -14.435  -2.618
  142   2HB   HIS  20          1HB       HIS  20   0.139 -14.026  -4.321
  143    HD1  HIS  20           1HD      HIS  20  -0.553 -17.255  -2.368
  144    HD2  HIS  20           2HD      HIS  20  -1.868 -15.147  -5.712
  145    HE1  HIS  20           1HE      HIS  20  -2.454 -18.595  -3.317
  146    HE2  HIS  20           2HE      HIS  20  -3.334 -17.224  -5.238
  147    H    SER  21           H        SER  21   1.718 -14.410  -6.015
  148    HA   SER  21           HA       SER  21   1.858 -17.091  -7.174
  149   1HB   SER  21          2HB       SER  21   1.214 -14.501  -8.583
  150   2HB   SER  21          1HB       SER  21   0.942 -16.140  -9.174
  151    HG   SER  21           HG       SER  21  -0.626 -16.431  -7.612
  152    H    GLY  22           H        GLY  22   3.952 -14.625  -6.451
  153   1HA   GLY  22          2HA       GLY  22   6.161 -14.298  -6.979
  154   2HA   GLY  22          1HA       GLY  22   6.100 -15.819  -7.854
  155    H    PHE  23           H        PHE  23   4.427 -12.727  -8.389
  156    HA   PHE  23           HA       PHE  23   5.495 -12.729 -11.125
  157   1HB   PHE  23          2HB       PHE  23   3.630 -10.946 -11.430
  158   2HB   PHE  23          1HB       PHE  23   3.181 -12.644 -11.341
  159    HD1  PHE  23           1HD      PHE  23   1.583 -13.335  -9.844
  160    HD2  PHE  23           2HD      PHE  23   3.542  -9.615  -9.222
  161    HE1  PHE  23           1HE      PHE  23   0.055 -12.846  -7.981
  162    HE2  PHE  23           2HE      PHE  23   2.019  -9.124  -7.359
  163    HZ   PHE  23           HZ       PHE  23   0.277 -10.735  -6.743
  164    H    THR  24           H        THR  24   5.724 -10.368 -12.007
  165    HA   THR  24           HA       THR  24   7.570  -9.084 -10.149
  166    HB   THR  24           HB       THR  24   7.228  -8.584 -13.110
  167    HG1  THR  24           1HG      THR  24   8.705 -10.498 -11.642
  168   1HG2  THR  24          1HG2      THR  24   9.514  -7.682 -12.929
  169   2HG2  THR  24          2HG2      THR  24   9.463  -7.935 -11.185
  170   3HG2  THR  24          3HG2      THR  24   8.367  -6.779 -11.940
  171    H    LEU  25           H        LEU  25   7.056  -7.315  -9.117
  172    HA   LEU  25           HA       LEU  25   4.784  -5.680  -9.971
  173   1HB   LEU  25          2HB       LEU  25   6.083  -6.311  -7.440
  174   2HB   LEU  25          1HB       LEU  25   5.768  -4.596  -7.631
  175    HG   LEU  25           HG       LEU  25   3.955  -5.890  -6.472
  176   1HD1  LEU  25          1HD1      LEU  25   3.558  -3.708  -7.532
  177   2HD1  LEU  25          2HD1      LEU  25   2.147  -4.757  -7.634
  178   3HD1  LEU  25          3HD1      LEU  25   3.175  -4.527  -9.048
  179   1HD2  LEU  25          1HD2      LEU  25   2.449  -7.197  -7.900
  180   2HD2  LEU  25          2HD2      LEU  25   4.053  -7.918  -7.768
  181   3HD2  LEU  25          3HD2      LEU  25   3.598  -7.039  -9.228
  182    H    SER  26           H        SER  26   4.965  -3.557 -10.560
  183    HA   SER  26           HA       SER  26   7.635  -2.332 -10.403
  184   1HB   SER  26          2HB       SER  26   6.777  -2.880 -12.759
  185   2HB   SER  26          1HB       SER  26   5.555  -1.638 -12.488
  186    HG   SER  26           HG       SER  26   8.038  -0.747 -11.831
  187    H    VAL  27           H        VAL  27   7.288  -1.305  -8.470
  188    HA   VAL  27           HA       VAL  27   5.397   0.896  -8.450
  189    HB   VAL  27           HB       VAL  27   4.011  -0.874  -7.557
  190   1HG1  VAL  27          1HG1      VAL  27   5.732  -2.438  -6.879
  191   2HG1  VAL  27          2HG1      VAL  27   4.634  -2.121  -5.538
  192   3HG1  VAL  27          3HG1      VAL  27   6.224  -1.363  -5.572
  193   1HG2  VAL  27          1HG2      VAL  27   5.020   0.921  -5.352
  194   2HG2  VAL  27          2HG2      VAL  27   3.504   0.020  -5.321
  195   3HG2  VAL  27          3HG2      VAL  27   3.747   1.298  -6.513
  196    H    ASP  28           H        ASP  28   6.105   2.592  -7.249
  197    HA   ASP  28           HA       ASP  28   8.679   2.248  -5.881
  198   1HB   ASP  28          2HB       ASP  28   8.512   3.947  -7.724
  199   2HB   ASP  28          1HB       ASP  28   7.351   4.830  -6.738
  200    H    ALA  29           H        ALA  29   8.861   2.509  -3.755
  201    HA   ALA  29           HA       ALA  29   6.623   2.649  -2.050
  202   1HB   ALA  29          1HB       ALA  29   8.707   1.543  -1.421
  203   2HB   ALA  29          2HB       ALA  29   8.236   2.756  -0.228
  204   3HB   ALA  29          3HB       ALA  29   9.527   3.105  -1.379
  205    H    SER  30           H        SER  30   5.704   4.640  -3.094
  206    HA   SER  30           HA       SER  30   6.100   6.911  -1.388
  207   1HB   SER  30          2HB       SER  30   6.632   8.482  -3.271
  208   2HB   SER  30          1HB       SER  30   7.936   7.350  -2.908
  209    HG   SER  30           HG       SER  30   7.728   6.496  -4.819
  210    H    LEU  31           H        LEU  31   4.830   5.887  -4.555
  211    HA   LEU  31           HA       LEU  31   2.521   7.497  -4.498
  212   1HB   LEU  31          2HB       LEU  31   2.978   4.838  -5.852
  213   2HB   LEU  31          1HB       LEU  31   1.620   5.894  -6.169
  214    HG   LEU  31           HG       LEU  31   4.512   6.576  -6.697
  215   1HD1  LEU  31          1HD1      LEU  31   3.677   4.843  -8.194
  216   2HD1  LEU  31          2HD1      LEU  31   3.904   6.367  -9.052
  217   3HD1  LEU  31          3HD1      LEU  31   2.281   5.848  -8.592
  218   1HD2  LEU  31          1HD2      LEU  31   1.980   8.059  -7.392
  219   2HD2  LEU  31          2HD2      LEU  31   3.620   8.524  -7.852
  220   3HD2  LEU  31          3HD2      LEU  31   3.145   8.531  -6.155
  221    H    THR  32           H        THR  32   3.182   4.258  -3.309
  222    HA   THR  32           HA       THR  32   0.475   3.935  -2.307
  223    HB   THR  32           HB       THR  32   1.580   1.744  -1.418
  224    HG1  THR  32           1HG      THR  32   3.540   1.306  -2.179
  225   1HG2  THR  32          1HG2      THR  32   1.266   2.229  -4.383
  226   2HG2  THR  32          2HG2      THR  32  -0.041   1.844  -3.263
  227   3HG2  THR  32          3HG2      THR  32   1.229   0.659  -3.580
  228    H    ARG  33           H        ARG  33   2.968   5.658  -1.246
  229    HA   ARG  33           HA       ARG  33   3.415   4.609   1.386
  230   1HB   ARG  33          2HB       ARG  33   5.134   5.883   0.143
  231   2HB   ARG  33          1HB       ARG  33   4.115   7.313   0.224
  232   1HG   ARG  33          2HG       ARG  33   5.572   7.687   1.952
  233   2HG   ARG  33          1HG       ARG  33   4.227   6.913   2.792
  234   1HD   ARG  33          2HD       ARG  33   6.237   5.904   3.575
  235   2HD   ARG  33          1HD       ARG  33   5.423   4.736   2.534
  236    HE   ARG  33           HE       ARG  33   7.025   5.391   0.778
  237   1HH1  ARG  33          1HH1      ARG  33   7.796   6.077   4.118
  238   2HH1  ARG  33          2HH1      ARG  33   9.516   6.125   3.848
  239   1HH2  ARG  33          1HH2      ARG  33   9.277   5.468   0.402
  240   2HH2  ARG  33          2HH2      ARG  33  10.356   5.790   1.729
  241    H    GLY  34           H        GLY  34   1.661   4.628   2.727
  242   1HA   GLY  34          2HA       GLY  34   0.958   6.186   4.524
  243   2HA   GLY  34          1HA       GLY  34   0.535   7.314   3.247
  244    H    LYS  35           H        LYS  35  -0.829   5.576   1.503
  245    HA   LYS  35           HA       LYS  35  -3.345   5.744   2.771
  246   1HB   LYS  35          2HB       LYS  35  -4.172   4.587   0.648
  247   2HB   LYS  35          1HB       LYS  35  -3.467   6.185   0.499
  248   1HG   LYS  35          2HG       LYS  35  -1.793   3.756   0.099
  249   2HG   LYS  35          1HG       LYS  35  -2.849   4.333  -1.191
  250   1HD   LYS  35          2HD       LYS  35  -0.763   6.006   0.202
  251   2HD   LYS  35          1HD       LYS  35  -0.519   5.197  -1.346
  252   1HE   LYS  35          2HE       LYS  35  -1.088   7.333  -2.009
  253   2HE   LYS  35          1HE       LYS  35  -2.649   6.517  -2.061
  254   1HZ   LYS  35          1HZ       LYS  35  -1.710   8.095   0.275
  255   2HZ   LYS  35          2HZ       LYS  35  -3.278   7.515  -0.010
  256   3HZ   LYS  35          3HZ       LYS  35  -2.640   8.752  -0.978
  257    H    GLN  36           H        GLN  36  -4.712   4.261   3.512
  258    HA   GLN  36           HA       GLN  36  -3.515   1.675   4.225
  259   1HB   GLN  36          2HB       GLN  36  -4.085   3.045   6.124
  260   2HB   GLN  36          1HB       GLN  36  -5.682   3.377   5.470
  261   1HG   GLN  36          2HG       GLN  36  -5.919   1.816   7.242
  262   2HG   GLN  36          1HG       GLN  36  -6.218   0.970   5.724
  263   1HE2  GLN  36          1HE2      GLN  36  -4.065   1.354   8.417
  264   2HE2  GLN  36          2HE2      GLN  36  -3.110  -0.057   8.104
  265    H    SER  37           H        SER  37  -4.854  -0.268   4.093
  266    HA   SER  37           HA       SER  37  -7.350   0.028   2.628
  267   1HB   SER  37          2HB       SER  37  -5.518  -0.669   1.036
  268   2HB   SER  37          1HB       SER  37  -5.257  -2.091   2.041
  269    HG   SER  37           HG       SER  37  -7.431  -1.448   0.386
  270    H    ASN  38           H        ASN  38  -8.891  -0.968   3.758
  271    HA   ASN  38           HA       ASN  38  -8.268  -2.138   6.250
  272   1HB   ASN  38          2HB       ASN  38 -10.905  -2.079   4.785
  273   2HB   ASN  38          1HB       ASN  38 -10.695  -2.522   6.475
  274   1HD2  ASN  38          1HD2      ASN  38  -8.552  -0.476   6.786
  275   2HD2  ASN  38          2HD2      ASN  38  -9.380   1.040   6.883
  276    H    GLY  39           H        GLY  39  -7.983  -3.590   3.328
  277   1HA   GLY  39          2HA       GLY  39  -6.880  -5.749   3.465
  278   2HA   GLY  39          1HA       GLY  39  -8.026  -6.192   4.720
  279    H    LEU  40           H        LEU  40  -8.052  -8.112   3.141
  280    HA   LEU  40           HA       LEU  40 -10.386  -7.963   1.528
  281   1HB   LEU  40          2HB       LEU  40  -8.644  -6.993   0.008
  282   2HB   LEU  40          1HB       LEU  40  -7.752  -8.495   0.141
  283    HG   LEU  40           HG       LEU  40  -9.667  -9.694  -0.884
  284   1HD1  LEU  40          1HD1      LEU  40 -10.763  -6.918  -1.316
  285   2HD1  LEU  40          2HD1      LEU  40 -11.413  -8.113  -0.192
  286   3HD1  LEU  40          3HD1      LEU  40 -11.449  -8.425  -1.929
  287   1HD2  LEU  40          1HD2      LEU  40  -7.792  -8.948  -2.256
  288   2HD2  LEU  40          2HD2      LEU  40  -8.578  -7.385  -2.494
  289   3HD2  LEU  40          3HD2      LEU  40  -9.309  -8.852  -3.153
  290    H    HIS  41           H        HIS  41 -11.326  -9.941   1.861
  291    HA   HIS  41           HA       HIS  41  -9.585 -12.282   1.975
  292   1HB   HIS  41          2HB       HIS  41  -9.844 -11.419   4.318
  293   2HB   HIS  41          1HB       HIS  41 -11.574 -11.708   4.181
  294    HD1  HIS  41           1HD      HIS  41 -12.062 -13.696   5.572
  295    HD2  HIS  41           2HD      HIS  41  -8.572 -14.173   3.358
  296    HE1  HIS  41           1HE      HIS  41 -11.267 -16.037   6.047
  297    HE2  HIS  41           2HE      HIS  41  -9.263 -16.360   4.551
  298    H    GLY  42           H        GLY  42 -10.436 -13.138   0.185
  299   1HA   GLY  42          2HA       GLY  42 -12.879 -14.592   0.479
  300   2HA   GLY  42          1HA       GLY  42 -13.040 -13.278  -0.679
  301    H    ASP  43           H        ASP  43 -13.496 -15.277  -2.023
  302    HA   ASP  43           HA       ASP  43 -11.165 -16.703  -2.979
  303   1HB   ASP  43          2HB       ASP  43 -14.007 -16.601  -4.034
  304   2HB   ASP  43          1HB       ASP  43 -12.748 -17.664  -4.646
  305    H    TYR  44           H        TYR  44  -9.952 -14.768  -3.521
  306    HA   TYR  44           HA       TYR  44 -10.952 -13.341  -5.884
  307   1HB   TYR  44          2HB       TYR  44  -9.041 -12.502  -3.710
  308   2HB   TYR  44          1HB       TYR  44  -9.191 -11.606  -5.220
  309    HD1  TYR  44           1HD      TYR  44 -10.680 -12.323  -1.997
  310    HD2  TYR  44           2HD      TYR  44 -11.365 -10.536  -5.793
  311    HE1  TYR  44           1HE      TYR  44 -12.624 -11.133  -1.079
  312    HE2  TYR  44           2HE      TYR  44 -13.311  -9.339  -4.887
  313    HH   TYR  44           HH       TYR  44 -13.956  -9.165  -1.526
  314    H    ASP  45           H        ASP  45  -9.865 -13.311  -7.735
  315    HA   ASP  45           HA       ASP  45  -7.298 -14.727  -7.846
  316   1HB   ASP  45          2HB       ASP  45  -9.342 -15.247  -9.404
  317   2HB   ASP  45          1HB       ASP  45  -8.810 -13.812 -10.276
  318    H    VAL  46           H        VAL  46  -6.226 -13.558 -10.124
  319    HA   VAL  46           HA       VAL  46  -4.704 -11.558  -8.973
  320    HB   VAL  46           HB       VAL  46  -5.186 -11.962 -11.929
  321   1HG1  VAL  46          1HG1      VAL  46  -2.986 -10.948 -12.223
  322   2HG1  VAL  46          2HG1      VAL  46  -2.868 -10.676 -10.484
  323   3HG1  VAL  46          3HG1      VAL  46  -4.094  -9.828 -11.427
  324   1HG2  VAL  46          1HG2      VAL  46  -3.107 -13.179 -10.110
  325   2HG2  VAL  46          2HG2      VAL  46  -3.203 -13.393 -11.859
  326   3HG2  VAL  46          3HG2      VAL  46  -4.482 -14.020 -10.821
  327    H    GLU  47           H        GLU  47  -6.964 -10.903 -11.689
  328    HA   GLU  47           HA       GLU  47  -6.659  -8.115 -11.440
  329   1HB   GLU  47          2HB       GLU  47  -8.813  -9.695 -12.844
  330   2HB   GLU  47          1HB       GLU  47  -8.458  -7.991 -13.101
  331   1HG   GLU  47          2HG       GLU  47  -6.338  -8.483 -14.038
  332   2HG   GLU  47          1HG       GLU  47  -6.441 -10.172 -13.538
  333    H    SER  48           H        SER  48  -9.140 -10.317 -10.172
  334    HA   SER  48           HA       SER  48 -10.985  -8.226  -9.571
  335   1HB   SER  48          2HB       SER  48 -10.861 -11.095  -8.617
  336   2HB   SER  48          1HB       SER  48 -12.218 -10.001  -8.378
  337    HG   SER  48           HG       SER  48 -11.995  -9.801 -10.840
  338    H    GLY  49           H        GLY  49  -8.295  -9.699  -7.966
  339   1HA   GLY  49          2HA       GLY  49  -8.993  -8.896  -5.305
  340   2HA   GLY  49          1HA       GLY  49  -7.406  -9.419  -5.856
  341    H    LEU  50           H        LEU  50  -7.132  -7.493  -7.936
  342    HA   LEU  50           HA       LEU  50  -5.982  -5.378  -6.441
  343   1HB   LEU  50          2HB       LEU  50  -6.564  -5.534  -9.399
  344   2HB   LEU  50          1HB       LEU  50  -5.479  -4.395  -8.626
  345    HG   LEU  50           HG       LEU  50  -5.103  -7.383  -8.736
  346   1HD1  LEU  50          1HD1      LEU  50  -4.752  -6.327 -10.893
  347   2HD1  LEU  50          2HD1      LEU  50  -3.212  -6.840 -10.201
  348   3HD1  LEU  50          3HD1      LEU  50  -3.675  -5.140 -10.157
  349   1HD2  LEU  50          1HD2      LEU  50  -3.332  -5.217  -7.611
  350   2HD2  LEU  50          2HD2      LEU  50  -2.915  -6.926  -7.748
  351   3HD2  LEU  50          3HD2      LEU  50  -4.223  -6.422  -6.677
  352    H    GLN  51           H        GLN  51  -8.860  -5.644  -8.463
  353    HA   GLN  51           HA       GLN  51  -9.662  -2.989  -8.453
  354   1HB   GLN  51          2HB       GLN  51 -10.590  -5.019  -9.747
  355   2HB   GLN  51          1HB       GLN  51 -11.610  -5.278  -8.339
  356   1HG   GLN  51          2HG       GLN  51 -12.666  -3.159  -8.625
  357   2HG   GLN  51          1HG       GLN  51 -11.528  -2.708  -9.894
  358   1HE2  GLN  51          1HE2      GLN  51 -14.398  -2.785 -10.052
  359   2HE2  GLN  51          2HE2      GLN  51 -14.798  -3.924 -11.295
  360    H    GLN  52           H        GLN  52 -10.385  -5.563  -6.088
  361    HA   GLN  52           HA       GLN  52 -11.959  -3.898  -4.418
  362   1HB   GLN  52          2HB       GLN  52 -10.603  -6.546  -4.051
  363   2HB   GLN  52          1HB       GLN  52 -11.365  -5.733  -2.691
  364   1HG   GLN  52          2HG       GLN  52 -12.711  -6.571  -5.248
  365   2HG   GLN  52          1HG       GLN  52 -12.866  -7.350  -3.674
  366   1HE2  GLN  52          1HE2      GLN  52 -13.803  -4.681  -5.654
  367   2HE2  GLN  52          2HE2      GLN  52 -14.997  -4.023  -4.578
  368    H    LEU  53           H        LEU  53  -8.519  -4.691  -4.501
  369    HA   LEU  53           HA       LEU  53  -7.759  -3.575  -2.058
  370   1HB   LEU  53          2HB       LEU  53  -6.270  -3.886  -4.649
  371   2HB   LEU  53          1HB       LEU  53  -5.517  -3.227  -3.208
  372    HG   LEU  53           HG       LEU  53  -6.712  -5.989  -3.459
  373   1HD1  LEU  53          1HD1      LEU  53  -4.404  -6.761  -3.281
  374   2HD1  LEU  53          2HD1      LEU  53  -3.841  -5.091  -3.258
  375   3HD1  LEU  53          3HD1      LEU  53  -4.623  -5.737  -4.702
  376   1HD2  LEU  53          1HD2      LEU  53  -5.794  -6.370  -1.241
  377   2HD2  LEU  53          2HD2      LEU  53  -6.951  -5.041  -1.209
  378   3HD2  LEU  53          3HD2      LEU  53  -5.219  -4.704  -1.173
  379    H    LEU  54           H        LEU  54  -8.848  -2.011  -4.889
  380    HA   LEU  54           HA       LEU  54  -7.592   0.507  -4.496
  381   1HB   LEU  54          2HB       LEU  54 -10.180  -0.154  -5.909
  382   2HB   LEU  54          1HB       LEU  54  -9.306   1.362  -6.040
  383    HG   LEU  54           HG       LEU  54  -8.363  -1.340  -6.995
  384   1HD1  LEU  54          1HD1      LEU  54  -8.545  -0.364  -9.210
  385   2HD1  LEU  54          2HD1      LEU  54  -9.131   1.145  -8.513
  386   3HD1  LEU  54          3HD1      LEU  54 -10.100  -0.324  -8.381
  387   1HD2  LEU  54          1HD2      LEU  54  -6.996   1.344  -7.139
  388   2HD2  LEU  54          2HD2      LEU  54  -6.439  -0.140  -7.911
  389   3HD2  LEU  54          3HD2      LEU  54  -6.494  -0.028  -6.153
  390    H    ASP  55           H        ASP  55  -9.989  -1.102  -2.752
  391    HA   ASP  55           HA       ASP  55 -11.601   1.085  -1.917
  392   1HB   ASP  55          2HB       ASP  55 -12.389  -1.205  -1.668
  393   2HB   ASP  55          1HB       ASP  55 -11.043  -1.585  -0.603
  394    H    GLY  56           H        GLY  56 -10.779   2.796  -0.939
  395   1HA   GLY  56          2HA       GLY  56 -10.011   3.752   1.132
  396   2HA   GLY  56          1HA       GLY  56  -8.954   2.361   1.330
  397    H    SER  57           H        SER  57  -8.654   2.982  -1.803
  398    HA   SER  57           HA       SER  57  -6.464   4.917  -1.411
  399   1HB   SER  57          2HB       SER  57  -6.548   2.563  -3.311
  400   2HB   SER  57          1HB       SER  57  -5.238   3.734  -3.189
  401    HG   SER  57           HG       SER  57  -5.333   1.550  -1.934
  402    H    GLY  58           H        GLY  58  -5.820   6.007  -3.483
  403   1HA   GLY  58          2HA       GLY  58  -8.096   6.273  -5.339
  404   2HA   GLY  58          1HA       GLY  58  -7.048   7.620  -4.902
  405    H    LEU  59           H        LEU  59  -5.506   4.594  -5.173
  406    HA   LEU  59           HA       LEU  59  -4.130   5.528  -7.582
  407   1HB   LEU  59          2HB       LEU  59  -3.520   3.211  -5.740
  408   2HB   LEU  59          1HB       LEU  59  -2.528   3.716  -7.095
  409    HG   LEU  59           HG       LEU  59  -3.089   5.380  -4.642
  410   1HD1  LEU  59          1HD1      LEU  59  -1.699   3.430  -4.161
  411   2HD1  LEU  59          2HD1      LEU  59  -0.777   4.928  -4.051
  412   3HD1  LEU  59          3HD1      LEU  59  -0.605   3.889  -5.467
  413   1HD2  LEU  59          1HD2      LEU  59  -2.710   6.741  -6.626
  414   2HD2  LEU  59          2HD2      LEU  59  -1.232   5.843  -6.975
  415   3HD2  LEU  59          3HD2      LEU  59  -1.337   6.844  -5.524
  416    H    GLN  60           H        GLN  60  -3.379   3.376  -8.955
  417    HA   GLN  60           HA       GLN  60  -5.687   1.639  -9.307
  418   1HB   GLN  60          2HB       GLN  60  -4.388   3.148 -11.593
  419   2HB   GLN  60          1HB       GLN  60  -5.639   1.925 -11.748
  420   1HG   GLN  60          2HG       GLN  60  -7.183   3.395 -10.511
  421   2HG   GLN  60          1HG       GLN  60  -5.924   4.631 -10.460
  422   1HE2  GLN  60          1HE2      GLN  60  -8.244   2.982 -12.432
  423   2HE2  GLN  60          2HE2      GLN  60  -8.106   4.008 -13.817
  424    H    VAL  61           H        VAL  61  -4.842  -0.355  -9.157
  425    HA   VAL  61           HA       VAL  61  -2.054  -0.806  -9.826
  426    HB   VAL  61           HB       VAL  61  -4.066  -2.882  -8.947
  427   1HG1  VAL  61          1HG1      VAL  61  -2.068  -4.088  -8.187
  428   2HG1  VAL  61          2HG1      VAL  61  -1.052  -2.793  -8.820
  429   3HG1  VAL  61          3HG1      VAL  61  -2.024  -3.772  -9.920
  430   1HG2  VAL  61          1HG2      VAL  61  -4.045  -1.118  -7.287
  431   2HG2  VAL  61          2HG2      VAL  61  -2.280  -1.152  -7.240
  432   3HG2  VAL  61          3HG2      VAL  61  -3.205  -2.539  -6.666
  433    H    LYS  62           H        LYS  62  -1.469  -1.289 -11.848
  434    HA   LYS  62           HA       LYS  62  -3.558  -2.316 -13.652
  435   1HB   LYS  62          2HB       LYS  62  -2.649   0.135 -13.836
  436   2HB   LYS  62          1HB       LYS  62  -1.244  -0.629 -14.560
  437   1HG   LYS  62          2HG       LYS  62  -4.021  -1.092 -15.584
  438   2HG   LYS  62          1HG       LYS  62  -3.025   0.260 -16.112
  439   1HD   LYS  62          2HD       LYS  62  -2.234  -2.638 -16.318
  440   2HD   LYS  62          1HD       LYS  62  -2.926  -1.688 -17.633
  441   1HE   LYS  62          2HE       LYS  62  -1.020  -0.114 -17.430
  442   2HE   LYS  62          1HE       LYS  62  -0.318  -1.177 -16.210
  443   1HZ   LYS  62          1HZ       LYS  62  -0.864  -1.874 -19.048
  444   2HZ   LYS  62          2HZ       LYS  62  -0.264  -2.950 -17.882
  445   3HZ   LYS  62          3HZ       LYS  62   0.661  -1.605 -18.350
  446    HA   PRO  63           HA       PRO  63  -0.742  -5.826 -13.978
  447   1HB   PRO  63          2HB       PRO  63  -2.502  -6.241 -16.352
  448   2HB   PRO  63          1HB       PRO  63  -2.015  -7.389 -15.100
  449   1HG   PRO  63          2HG       PRO  63  -4.462  -6.346 -15.090
  450   2HG   PRO  63          1HG       PRO  63  -3.569  -6.591 -13.575
  451   1HD   PRO  63          2HD       PRO  63  -4.079  -4.066 -15.087
  452   2HD   PRO  63          1HD       PRO  63  -4.000  -4.338 -13.335
  453    H    LEU  64           H        LEU  64   1.190  -5.609 -14.861
  454    HA   LEU  64           HA       LEU  64   1.749  -3.735 -16.931
  455   1HB   LEU  64          2HB       LEU  64   3.296  -4.403 -15.044
  456   2HB   LEU  64          1HB       LEU  64   3.553  -5.922 -15.874
  457    HG   LEU  64           HG       LEU  64   5.356  -4.150 -16.137
  458   1HD1  LEU  64          1HD1      LEU  64   5.728  -4.637 -18.513
  459   2HD1  LEU  64          2HD1      LEU  64   4.086  -5.278 -18.626
  460   3HD1  LEU  64          3HD1      LEU  64   5.277  -6.077 -17.599
  461   1HD2  LEU  64          1HD2      LEU  64   3.283  -2.916 -17.941
  462   2HD2  LEU  64          2HD2      LEU  64   4.973  -2.429 -17.825
  463   3HD2  LEU  64          3HD2      LEU  64   3.899  -2.227 -16.440
  464    H    GLY  65           H        GLY  65   2.008  -7.293 -16.785
  465   1HA   GLY  65          2HA       GLY  65   0.764  -7.756 -19.237
  466   2HA   GLY  65          1HA       GLY  65   2.503  -7.674 -19.512
  467    H    ASN  66           H        ASN  66   0.662  -9.966 -19.711
  468    HA   ASN  66           HA       ASN  66   0.685 -12.193 -19.294
  469   1HB   ASN  66          2HB       ASN  66   3.318 -11.552 -17.950
  470   2HB   ASN  66          1HB       ASN  66   2.709 -13.185 -18.189
  471   1HD2  ASN  66          1HD2      ASN  66   5.103 -11.785 -19.228
  472   2HD2  ASN  66          2HD2      ASN  66   5.019 -11.959 -20.950
  473    H    ASN  67           H        ASN  67   2.322 -11.299 -16.290
  474    HA   ASN  67           HA       ASN  67  -0.128 -11.694 -14.759
  475   1HB   ASN  67          2HB       ASN  67   1.186 -13.929 -15.162
  476   2HB   ASN  67          1HB       ASN  67   2.313 -13.282 -13.981
  477   1HD2  ASN  67          1HD2      ASN  67   0.355 -12.037 -12.282
  478   2HD2  ASN  67          2HD2      ASN  67  -0.513 -13.314 -11.504
  479    H    SER  68           H        SER  68   2.080  -9.613 -15.399
  480    HA   SER  68           HA       SER  68   3.126  -9.204 -12.675
  481   1HB   SER  68          2HB       SER  68   4.132  -8.082 -15.316
  482   2HB   SER  68          1HB       SER  68   4.869  -7.825 -13.733
  483    HG   SER  68           HG       SER  68   5.983  -9.532 -14.291
  484    H    TRP  69           H        TRP  69   3.526  -6.546 -12.490
  485    HA   TRP  69           HA       TRP  69   1.028  -5.290 -13.299
  486   1HB   TRP  69          2HB       TRP  69   1.855  -5.375 -10.394
  487   2HB   TRP  69          1HB       TRP  69   0.483  -4.510 -11.056
  488    HD1  TRP  69           HD       TRP  69  -0.447  -7.280 -12.804
  489    HE1  TRP  69           1HE      TRP  69  -1.703  -9.061 -11.416
  490    HE3  TRP  69           3HE      TRP  69   0.946  -5.791  -8.166
  491    HZ2  TRP  69           2HZ      TRP  69  -2.087  -9.703  -8.689
  492    HZ3  TRP  69           3HZ      TRP  69   0.111  -7.003  -6.211
  493    HH2  TRP  69           HH       TRP  69  -1.387  -8.928  -6.459
  494    H    THR  70           H        THR  70   1.066  -2.973 -12.952
  495    HA   THR  70           HA       THR  70   3.541  -1.843 -11.890
  496    HB   THR  70           HB       THR  70   3.805  -1.875 -14.370
  497    HG1  THR  70           1HG      THR  70   4.862  -0.087 -14.021
  498   1HG2  THR  70          1HG2      THR  70   1.478  -1.703 -15.042
  499   2HG2  THR  70          2HG2      THR  70   2.403  -0.371 -15.733
  500   3HG2  THR  70          3HG2      THR  70   1.370  -0.093 -14.333
  501    H    LEU  71           H        LEU  71   3.191   0.281 -10.988
  502    HA   LEU  71           HA       LEU  71   0.380   0.628 -10.285
  503   1HB   LEU  71          2HB       LEU  71   2.110   0.574  -8.499
  504   2HB   LEU  71          1HB       LEU  71   2.786   2.051  -9.163
  505    HG   LEU  71           HG       LEU  71   0.638   3.207  -8.717
  506   1HD1  LEU  71          1HD1      LEU  71  -0.864   1.308  -8.793
  507   2HD1  LEU  71          2HD1      LEU  71  -0.998   2.130  -7.238
  508   3HD1  LEU  71          3HD1      LEU  71  -0.100   0.616  -7.363
  509   1HD2  LEU  71          1HD2      LEU  71   0.903   3.325  -6.294
  510   2HD2  LEU  71          2HD2      LEU  71   2.459   3.350  -7.122
  511   3HD2  LEU  71          3HD2      LEU  71   1.902   1.873  -6.333
  512    H    GLU  72           H        GLU  72  -0.658   1.696 -11.722
  513    HA   GLU  72           HA       GLU  72   0.513   3.942 -13.121
  514   1HB   GLU  72          2HB       GLU  72  -1.030   2.256 -14.213
  515   2HB   GLU  72          1HB       GLU  72  -2.350   2.993 -13.311
  516   1HG   GLU  72          2HG       GLU  72  -1.938   5.118 -14.403
  517   2HG   GLU  72          1HG       GLU  72  -0.567   4.427 -15.268
  518    HA   PRO  73           HA       PRO  73  -1.096   6.693 -10.037
  519   1HB   PRO  73          2HB       PRO  73   0.294   8.868 -10.788
  520   2HB   PRO  73          1HB       PRO  73   1.064   7.504  -9.971
  521   1HG   PRO  73          2HG       PRO  73   1.117   8.265 -12.850
  522   2HG   PRO  73          1HG       PRO  73   2.389   7.531 -11.857
  523   1HD   PRO  73          2HD       PRO  73   0.711   6.172 -13.630
  524   2HD   PRO  73          1HD       PRO  73   1.684   5.431 -12.348
  525    H    ALA  74           H        ALA  74  -3.141   7.246 -10.324
  526    HA   ALA  74           HA       ALA  74  -3.714   9.626 -11.802
  527   1HB   ALA  74          1HB       ALA  74  -5.101   7.071 -12.621
  528   2HB   ALA  74          2HB       ALA  74  -3.977   8.007 -13.606
  529   3HB   ALA  74          3HB       ALA  74  -5.537   8.694 -13.156
  530    HA   PRO  75           HA       PRO  75  -6.171   8.625  -7.945
  531   1HB   PRO  75          2HB       PRO  75  -4.992  10.994  -6.748
  532   2HB   PRO  75          1HB       PRO  75  -4.935   9.324  -6.180
  533   1HG   PRO  75          2HG       PRO  75  -2.760  10.647  -7.147
  534   2HG   PRO  75          1HG       PRO  75  -2.960   8.888  -7.252
  535   1HD   PRO  75          2HD       PRO  75  -3.404  10.980  -9.355
  536   2HD   PRO  75          1HD       PRO  75  -2.678   9.364  -9.503
  537    H    ALA  76           H        ALA  76  -5.414  12.039  -8.015
  538    HA   ALA  76           HA       ALA  76  -7.767  12.610  -9.641
  539   1HB   ALA  76          1HB       ALA  76  -7.226  13.988  -7.006
  540   2HB   ALA  76          2HB       ALA  76  -8.538  12.852  -7.319
  541   3HB   ALA  76          3HB       ALA  76  -8.499  14.405  -8.153
  542    HA   PRO  77           HA       PRO  77  -3.757  14.916 -10.274
  543   1HB   PRO  77          2HB       PRO  77  -2.705  13.646 -12.364
  544   2HB   PRO  77          1HB       PRO  77  -2.695  12.892 -10.758
  545   1HG   PRO  77          2HG       PRO  77  -4.468  12.336 -13.091
  546   2HG   PRO  77          1HG       PRO  77  -3.749  11.214 -11.916
  547   1HD   PRO  77          2HD       PRO  77  -6.353  12.254 -11.831
  548   2HD   PRO  77          1HD       PRO  77  -5.506  11.438 -10.504
  549    H    LYS  78           H        LYS  78  -6.455  14.272 -12.129
  550    HA   LYS  78           HA       LYS  78  -6.885  16.877 -12.884
  551   1HB   LYS  78          2HB       LYS  78  -6.624  16.890 -15.290
  552   2HB   LYS  78          1HB       LYS  78  -5.073  16.526 -14.557
  553   1HG   LYS  78          2HG       LYS  78  -5.169  14.275 -15.222
  554   2HG   LYS  78          1HG       LYS  78  -6.893  14.376 -15.588
  555   1HD   LYS  78          2HD       LYS  78  -6.342  16.014 -17.388
  556   2HD   LYS  78          1HD       LYS  78  -4.631  15.704 -17.079
  557   1HE   LYS  78          2HE       LYS  78  -4.842  13.431 -17.748
  558   2HE   LYS  78          1HE       LYS  78  -6.601  13.538 -17.778
  559   1HZ   LYS  78          1HZ       LYS  78  -4.760  14.995 -19.608
  560   2HZ   LYS  78          2HZ       LYS  78  -6.460  15.051 -19.647
  561   3HZ   LYS  78          3HZ       LYS  78  -5.650  13.605 -20.001
  562    H    GLU  79           H        GLU  79  -9.039  17.045 -13.197
  563    HA   GLU  79           HA       GLU  79 -10.547  14.574 -13.517
  564   1HB   GLU  79          2HB       GLU  79 -12.543  16.114 -13.175
  565   2HB   GLU  79          1HB       GLU  79 -11.444  15.941 -11.815
  566   1HG   GLU  79          2HG       GLU  79 -10.374  18.078 -12.493
  567   2HG   GLU  79          1HG       GLU  79 -11.631  18.260 -13.717
  568    H    ASP  80           H        ASP  80  -9.131  14.965 -15.663
  569    HA   ASP  80           HA       ASP  80 -10.967  16.010 -17.705
  570   1HB   ASP  80          2HB       ASP  80  -9.020  17.411 -17.663
  571   2HB   ASP  80          1HB       ASP  80  -7.946  16.019 -17.605
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1  -6.789 -16.580  -4.196
    2   2H    ALA   1          2HT       ALA   1  -7.476 -18.010  -3.596
    3   3H    ALA   1          3HT       ALA   1  -6.314 -18.081  -4.828
    4    HA   ALA   1           HA       ALA   1  -5.329 -18.707  -2.740
    5   1HB   ALA   1          1HB       ALA   1  -3.949 -17.515  -4.378
    6   2HB   ALA   1          2HB       ALA   1  -3.474 -17.132  -2.724
    7   3HB   ALA   1          3HB       ALA   1  -4.429 -15.978  -3.654
    8    H    GLN   2           H        GLN   2  -5.031 -18.343  -0.543
    9    HA   GLN   2           HA       GLN   2  -6.958 -16.644   0.703
   10   1HB   GLN   2          2HB       GLN   2  -5.433 -17.330   2.801
   11   2HB   GLN   2          1HB       GLN   2  -6.683 -18.362   2.138
   12   1HG   GLN   2          2HG       GLN   2  -4.636 -19.577   2.649
   13   2HG   GLN   2          1HG       GLN   2  -5.038 -19.657   0.940
   14   1HE2  GLN   2          1HE2      GLN   2  -2.892 -18.307   3.326
   15   2HE2  GLN   2          2HE2      GLN   2  -1.632 -17.863   2.229
   16    H    VAL   3           H        VAL   3  -6.677 -14.563   0.395
   17    HA   VAL   3           HA       VAL   3  -4.003 -13.420   0.711
   18    HB   VAL   3           HB       VAL   3  -4.964 -11.338  -0.220
   19   1HG1  VAL   3          1HG1      VAL   3  -3.907 -12.951  -1.696
   20   2HG1  VAL   3          2HG1      VAL   3  -5.260 -12.166  -2.510
   21   3HG1  VAL   3          3HG1      VAL   3  -5.437 -13.807  -1.887
   22   1HG2  VAL   3          1HG2      VAL   3  -7.196 -11.370  -1.232
   23   2HG2  VAL   3          2HG2      VAL   3  -7.274 -11.601   0.515
   24   3HG2  VAL   3          3HG2      VAL   3  -7.475 -12.981  -0.565
   25    H    ASN   4           H        ASN   4  -3.453 -12.192   2.405
   26    HA   ASN   4           HA       ASN   4  -5.567 -11.427   4.283
   27   1HB   ASN   4          2HB       ASN   4  -2.987 -12.874   4.902
   28   2HB   ASN   4          1HB       ASN   4  -3.874 -11.971   6.126
   29   1HD2  ASN   4          1HD2      ASN   4  -3.884 -14.777   4.057
   30   2HD2  ASN   4          2HD2      ASN   4  -5.198 -15.589   4.835
   31    H    ILE   5           H        ILE   5  -5.542  -9.331   3.831
   32    HA   ILE   5           HA       ILE   5  -2.962  -7.921   3.838
   33    HB   ILE   5           HB       ILE   5  -5.629  -7.088   2.677
   34   1HG1  ILE   5          2HG1      ILE   5  -4.118  -6.887   0.587
   35   2HG1  ILE   5          1HG1      ILE   5  -2.971  -7.869   1.491
   36   1HG2  ILE   5          1HG2      ILE   5  -4.537  -5.166   3.715
   37   2HG2  ILE   5          2HG2      ILE   5  -4.539  -5.029   1.958
   38   3HG2  ILE   5          3HG2      ILE   5  -3.067  -5.506   2.801
   39   1HD1  ILE   5          1HD1      ILE   5  -5.780  -8.661   0.753
   40   2HD1  ILE   5          2HD1      ILE   5  -4.632  -9.649   1.656
   41   3HD1  ILE   5          3HD1      ILE   5  -4.299  -9.222  -0.021
   42    H    ALA   6           H        ALA   6  -2.479  -7.011   5.696
   43    HA   ALA   6           HA       ALA   6  -4.555  -6.391   7.637
   44   1HB   ALA   6          1HB       ALA   6  -1.545  -6.243   7.832
   45   2HB   ALA   6          2HB       ALA   6  -2.560  -7.558   8.423
   46   3HB   ALA   6          3HB       ALA   6  -2.675  -5.957   9.156
   47    HA   PRO   7           HA       PRO   7  -4.430  -1.942   6.822
   48   1HB   PRO   7          2HB       PRO   7  -4.214  -1.619   9.768
   49   2HB   PRO   7          1HB       PRO   7  -5.398  -0.934   8.651
   50   1HG   PRO   7          2HG       PRO   7  -6.053  -2.922  10.313
   51   2HG   PRO   7          1HG       PRO   7  -6.721  -2.830   8.671
   52   1HD   PRO   7          2HD       PRO   7  -4.554  -4.587   9.748
   53   2HD   PRO   7          1HD       PRO   7  -5.815  -4.951   8.551
   54    H    GLY   8           H        GLY   8  -2.670  -0.484   6.567
   55   1HA   GLY   8          2HA       GLY   8  -0.410  -0.047   7.788
   56   2HA   GLY   8          1HA       GLY   8  -0.133  -1.723   7.331
   57    H    SER   9           H        SER   9  -1.590   1.054   5.678
   58    HA   SER   9           HA       SER   9  -1.253   2.026   3.663
   59   1HB   SER   9          2HB       SER   9   1.062   2.343   4.488
   60   2HB   SER   9          1HB       SER   9   1.509   0.790   3.781
   61    HG   SER   9           HG       SER   9   1.735   2.981   2.565
   62    H    LEU  10           H        LEU  10  -1.583   1.609   1.494
   63    HA   LEU  10           HA       LEU  10  -2.296  -0.937   0.600
   64   1HB   LEU  10          2HB       LEU  10  -1.664   1.680  -0.671
   65   2HB   LEU  10          1HB       LEU  10  -1.600   0.274  -1.706
   66    HG   LEU  10           HG       LEU  10  -3.742   1.252  -1.951
   67   1HD1  LEU  10          1HD1      LEU  10  -5.214  -0.562  -1.267
   68   2HD1  LEU  10          2HD1      LEU  10  -3.978  -1.158  -0.158
   69   3HD1  LEU  10          3HD1      LEU  10  -3.688  -1.185  -1.899
   70   1HD2  LEU  10          1HD2      LEU  10  -5.259   1.674  -0.106
   71   2HD2  LEU  10          2HD2      LEU  10  -3.753   2.566   0.115
   72   3HD2  LEU  10          3HD2      LEU  10  -4.050   1.096   1.042
   73    H    ASP  11           H        ASP  11   0.719   0.756   0.718
   74    HA   ASP  11           HA       ASP  11   2.435  -0.449  -0.964
   75   1HB   ASP  11          2HB       ASP  11   3.015   1.314   0.662
   76   2HB   ASP  11          1HB       ASP  11   2.962   0.128   1.959
   77    H    LYS  12           H        LYS  12   1.934  -1.695   2.349
   78    HA   LYS  12           HA       LYS  12   3.359  -4.081   1.785
   79   1HB   LYS  12          2HB       LYS  12   3.078  -3.026   4.066
   80   2HB   LYS  12          1HB       LYS  12   1.452  -3.705   4.086
   81   1HG   LYS  12          2HG       LYS  12   2.328  -5.937   3.915
   82   2HG   LYS  12          1HG       LYS  12   3.968  -5.319   3.727
   83   1HD   LYS  12          2HD       LYS  12   3.678  -6.091   5.981
   84   2HD   LYS  12          1HD       LYS  12   3.795  -4.332   5.997
   85   1HE   LYS  12          2HE       LYS  12   1.444  -4.103   6.294
   86   2HE   LYS  12          1HE       LYS  12   1.182  -5.823   5.995
   87   1HZ   LYS  12          1HZ       LYS  12   1.095  -5.261   8.362
   88   2HZ   LYS  12          2HZ       LYS  12   2.696  -4.708   8.294
   89   3HZ   LYS  12          3HZ       LYS  12   2.353  -6.345   8.017
   90    H    ALA  13           H        ALA  13   0.098  -3.156   1.183
   91    HA   ALA  13           HA       ALA  13  -1.113  -5.724   1.321
   92   1HB   ALA  13          1HB       ALA  13  -2.916  -4.731   0.011
   93   2HB   ALA  13          2HB       ALA  13  -1.908  -3.324  -0.328
   94   3HB   ALA  13          3HB       ALA  13  -2.434  -3.654   1.322
   95    H    LEU  14           H        LEU  14  -0.097  -3.746  -1.467
   96    HA   LEU  14           HA       LEU  14  -0.119  -5.725  -3.402
   97   1HB   LEU  14          2HB       LEU  14   1.803  -3.407  -3.175
   98   2HB   LEU  14          1HB       LEU  14   1.435  -4.298  -4.635
   99    HG   LEU  14           HG       LEU  14  -0.558  -2.625  -3.108
  100   1HD1  LEU  14          1HD1      LEU  14  -0.354  -1.039  -4.941
  101   2HD1  LEU  14          2HD1      LEU  14   0.894  -2.041  -5.683
  102   3HD1  LEU  14          3HD1      LEU  14   1.198  -1.263  -4.131
  103   1HD2  LEU  14          1HD2      LEU  14  -1.585  -4.469  -4.321
  104   2HD2  LEU  14          2HD2      LEU  14  -0.733  -3.993  -5.790
  105   3HD2  LEU  14          3HD2      LEU  14  -1.956  -2.929  -5.096
  106    H    ASN  15           H        ASN  15   2.415  -4.861  -1.098
  107    HA   ASN  15           HA       ASN  15   4.461  -6.520  -2.036
  108   1HB   ASN  15          2HB       ASN  15   4.935  -4.886  -0.336
  109   2HB   ASN  15          1HB       ASN  15   3.780  -5.621   0.770
  110   1HD2  ASN  15          1HD2      ASN  15   6.935  -5.876  -0.670
  111   2HD2  ASN  15          2HD2      ASN  15   7.544  -7.091   0.402
  112    H    GLN  16           H        GLN  16   1.798  -7.198   0.198
  113    HA   GLN  16           HA       GLN  16   2.474  -9.827   0.856
  114   1HB   GLN  16          2HB       GLN  16   0.761  -8.466   2.017
  115   2HB   GLN  16          1HB       GLN  16  -0.282  -8.596   0.612
  116   1HG   GLN  16          2HG       GLN  16   0.676 -11.060   2.006
  117   2HG   GLN  16          1HG       GLN  16  -0.668 -10.130   2.662
  118   1HE2  GLN  16          1HE2      GLN  16  -1.591  -9.342  -0.011
  119   2HE2  GLN  16          2HE2      GLN  16  -2.355 -10.741  -0.678
  120    H    TYR  17           H        TYR  17   0.587  -8.539  -1.900
  121    HA   TYR  17           HA       TYR  17  -0.221 -11.076  -2.863
  122   1HB   TYR  17          2HB       TYR  17  -0.761  -8.400  -3.453
  123   2HB   TYR  17          1HB       TYR  17   0.041  -9.008  -4.896
  124    HD1  TYR  17           1HD      TYR  17  -0.983 -10.770  -6.243
  125    HD2  TYR  17           2HD      TYR  17  -2.962  -9.214  -2.808
  126    HE1  TYR  17           1HE      TYR  17  -3.085 -11.799  -6.991
  127    HE2  TYR  17           2HE      TYR  17  -5.067 -10.236  -3.554
  128    HH   TYR  17           HH       TYR  17  -5.239 -12.581  -5.922
  129    H    ALA  18           H        ALA  18   2.316  -8.794  -3.858
  130    HA   ALA  18           HA       ALA  18   3.381 -10.147  -5.983
  131   1HB   ALA  18          1HB       ALA  18   4.927  -8.533  -3.962
  132   2HB   ALA  18          2HB       ALA  18   4.006  -7.877  -5.316
  133   3HB   ALA  18          3HB       ALA  18   5.417  -8.889  -5.619
  134    H    ALA  19           H        ALA  19   4.477 -10.418  -2.608
  135    HA   ALA  19           HA       ALA  19   6.504 -12.298  -3.126
  136   1HB   ALA  19          1HB       ALA  19   6.582 -12.626  -0.723
  137   2HB   ALA  19          2HB       ALA  19   5.027 -11.813  -0.543
  138   3HB   ALA  19          3HB       ALA  19   6.433 -10.912  -1.112
  139    H    HIS  20           H        HIS  20   3.090 -12.689  -2.874
  140    HA   HIS  20           HA       HIS  20   3.002 -15.331  -1.900
  141   1HB   HIS  20          2HB       HIS  20   1.061 -13.764  -1.964
  142   2HB   HIS  20          1HB       HIS  20   0.984 -13.989  -3.708
  143    HD1  HIS  20           1HD      HIS  20   0.131 -15.618  -0.482
  144    HD2  HIS  20           2HD      HIS  20   0.023 -16.517  -4.539
  145    HE1  HIS  20           1HE      HIS  20  -1.266 -17.701  -0.679
  146    HE2  HIS  20           2HE      HIS  20  -1.138 -18.338  -3.118
  147    H    SER  21           H        SER  21   2.797 -14.132  -5.290
  148    HA   SER  21           HA       SER  21   3.191 -16.899  -6.172
  149   1HB   SER  21          2HB       SER  21   1.278 -15.746  -7.156
  150   2HB   SER  21          1HB       SER  21   2.325 -14.448  -7.726
  151    HG   SER  21           HG       SER  21   3.343 -16.711  -8.624
  152    H    GLY  22           H        GLY  22   4.948 -14.163  -5.570
  153   1HA   GLY  22          2HA       GLY  22   7.197 -13.770  -5.879
  154   2HA   GLY  22          1HA       GLY  22   7.284 -15.260  -6.805
  155    H    PHE  23           H        PHE  23   5.338 -12.331  -7.383
  156    HA   PHE  23           HA       PHE  23   6.730 -12.099  -9.963
  157   1HB   PHE  23          2HB       PHE  23   4.692 -10.722 -10.668
  158   2HB   PHE  23          1HB       PHE  23   4.454 -12.454 -10.511
  159    HD1  PHE  23           1HD      PHE  23   2.848 -13.323  -9.057
  160    HD2  PHE  23           2HD      PHE  23   3.885  -9.208  -8.854
  161    HE1  PHE  23           1HE      PHE  23   0.921 -12.917  -7.587
  162    HE2  PHE  23           2HE      PHE  23   1.966  -8.790  -7.378
  163    HZ   PHE  23           HZ       PHE  23   0.479 -10.647  -6.745
  164    H    THR  24           H        THR  24   7.301 -10.016 -10.693
  165    HA   THR  24           HA       THR  24   8.173  -8.383  -8.449
  166    HB   THR  24           HB       THR  24   8.895  -8.127 -11.378
  167    HG1  THR  24           1HG      THR  24  10.750  -9.349 -10.772
  168   1HG2  THR  24          1HG2      THR  24  10.208  -7.060  -8.870
  169   2HG2  THR  24          2HG2      THR  24   9.375  -6.109 -10.100
  170   3HG2  THR  24          3HG2      THR  24  10.877  -6.941 -10.498
  171    H    LEU  25           H        LEU  25   7.206  -6.597  -7.857
  172    HA   LEU  25           HA       LEU  25   5.162  -5.403  -9.553
  173   1HB   LEU  25          2HB       LEU  25   5.652  -5.622  -6.714
  174   2HB   LEU  25          1HB       LEU  25   5.325  -3.959  -7.170
  175    HG   LEU  25           HG       LEU  25   3.306  -5.277  -6.485
  176   1HD1  LEU  25          1HD1      LEU  25   1.903  -4.474  -8.334
  177   2HD1  LEU  25          2HD1      LEU  25   3.354  -4.196  -9.297
  178   3HD1  LEU  25          3HD1      LEU  25   3.081  -3.266  -7.824
  179   1HD2  LEU  25          1HD2      LEU  25   2.385  -6.853  -8.122
  180   2HD2  LEU  25          2HD2      LEU  25   3.916  -7.410  -7.445
  181   3HD2  LEU  25          3HD2      LEU  25   3.868  -6.717  -9.066
  182    H    SER  26           H        SER  26   5.258  -3.385 -10.416
  183    HA   SER  26           HA       SER  26   7.745  -1.874 -10.065
  184   1HB   SER  26          2HB       SER  26   7.184  -2.317 -12.385
  185   2HB   SER  26          1HB       SER  26   5.555  -1.688 -12.153
  186    HG   SER  26           HG       SER  26   6.277   0.254 -12.429
  187    H    VAL  27           H        VAL  27   7.383  -0.900  -8.111
  188    HA   VAL  27           HA       VAL  27   5.442   1.261  -8.127
  189    HB   VAL  27           HB       VAL  27   4.187  -0.532  -7.075
  190   1HG1  VAL  27          1HG1      VAL  27   6.020  -1.938  -6.328
  191   2HG1  VAL  27          2HG1      VAL  27   4.928  -1.581  -4.990
  192   3HG1  VAL  27          3HG1      VAL  27   6.470  -0.735  -5.120
  193   1HG2  VAL  27          1HG2      VAL  27   3.676   0.527  -4.928
  194   2HG2  VAL  27          2HG2      VAL  27   3.853   1.716  -6.218
  195   3HG2  VAL  27          3HG2      VAL  27   5.156   1.481  -5.052
  196    H    ASP  28           H        ASP  28   6.215   3.047  -7.180
  197    HA   ASP  28           HA       ASP  28   8.887   2.948  -6.041
  198   1HB   ASP  28          2HB       ASP  28   7.096   5.307  -6.676
  199   2HB   ASP  28          1HB       ASP  28   8.765   5.418  -6.128
  200    H    ALA  29           H        ALA  29   9.279   2.966  -3.933
  201    HA   ALA  29           HA       ALA  29   7.327   3.100  -1.914
  202   1HB   ALA  29          1HB       ALA  29  10.294   3.592  -1.686
  203   2HB   ALA  29          2HB       ALA  29   9.494   2.023  -1.601
  204   3HB   ALA  29          3HB       ALA  29   9.193   3.234  -0.354
  205    H    SER  30           H        SER  30   6.393   5.112  -3.057
  206    HA   SER  30           HA       SER  30   6.769   7.396  -1.390
  207   1HB   SER  30          2HB       SER  30   7.635   7.592  -4.291
  208   2HB   SER  30          1HB       SER  30   7.366   8.976  -3.236
  209    HG   SER  30           HG       SER  30   9.068   7.054  -2.213
  210    H    LEU  31           H        LEU  31   5.376   5.821  -4.186
  211    HA   LEU  31           HA       LEU  31   3.128   7.568  -4.426
  212   1HB   LEU  31          2HB       LEU  31   3.478   4.682  -5.259
  213   2HB   LEU  31          1HB       LEU  31   2.134   5.703  -5.730
  214    HG   LEU  31           HG       LEU  31   5.023   6.181  -6.474
  215   1HD1  LEU  31          1HD1      LEU  31   4.079   4.206  -7.570
  216   2HD1  LEU  31          2HD1      LEU  31   4.349   5.521  -8.714
  217   3HD1  LEU  31          3HD1      LEU  31   2.719   5.175  -8.138
  218   1HD2  LEU  31          1HD2      LEU  31   3.702   8.238  -6.273
  219   2HD2  LEU  31          2HD2      LEU  31   2.498   7.565  -7.373
  220   3HD2  LEU  31          3HD2      LEU  31   4.131   7.896  -7.950
  221    H    THR  32           H        THR  32   4.035   4.989  -2.363
  222    HA   THR  32           HA       THR  32   1.335   4.637  -1.315
  223    HB   THR  32           HB       THR  32   2.504   2.821   0.055
  224    HG1  THR  32           1HG      THR  32   4.562   2.194  -0.733
  225   1HG2  THR  32          1HG2      THR  32   2.536   2.638  -2.964
  226   2HG2  THR  32          2HG2      THR  32   1.161   2.295  -1.913
  227   3HG2  THR  32          3HG2      THR  32   2.590   1.264  -1.858
  228    H    ARG  33           H        ARG  33   3.413   6.937  -0.879
  229    HA   ARG  33           HA       ARG  33   4.115   6.910   1.860
  230   1HB   ARG  33          2HB       ARG  33   4.026   8.951  -0.305
  231   2HB   ARG  33          1HB       ARG  33   4.154   9.507   1.352
  232   1HG   ARG  33          2HG       ARG  33   6.189   8.191   1.642
  233   2HG   ARG  33          1HG       ARG  33   6.057   7.634  -0.029
  234   1HD   ARG  33          2HD       ARG  33   6.353   9.833  -0.869
  235   2HD   ARG  33          1HD       ARG  33   6.190  10.535   0.739
  236    HE   ARG  33           HE       ARG  33   8.461   8.801   0.018
  237   1HH1  ARG  33          1HH1      ARG  33   7.135  11.732   1.372
  238   2HH1  ARG  33          2HH1      ARG  33   8.669  12.327   1.932
  239   1HH2  ARG  33          1HH2      ARG  33  10.489   9.574   0.709
  240   2HH2  ARG  33          2HH2      ARG  33  10.587  11.105   1.536
  241    H    GLY  34           H        GLY  34   2.925   7.290   3.596
  242   1HA   GLY  34          2HA       GLY  34   1.248   8.063   4.963
  243   2HA   GLY  34          1HA       GLY  34   0.894   9.258   3.724
  244    H    LYS  35           H        LYS  35   0.851   6.018   2.669
  245    HA   LYS  35           HA       LYS  35  -2.032   6.151   2.348
  246   1HB   LYS  35          2HB       LYS  35   0.167   4.661   1.090
  247   2HB   LYS  35          1HB       LYS  35  -1.290   3.711   1.342
  248   1HG   LYS  35          2HG       LYS  35  -1.282   4.694  -0.863
  249   2HG   LYS  35          1HG       LYS  35  -2.589   5.368   0.113
  250   1HD   LYS  35          2HD       LYS  35  -1.339   7.383   0.498
  251   2HD   LYS  35          1HD       LYS  35   0.095   6.696  -0.263
  252   1HE   LYS  35          2HE       LYS  35  -1.020   8.252  -1.763
  253   2HE   LYS  35          1HE       LYS  35  -1.075   6.613  -2.405
  254   1HZ   LYS  35          1HZ       LYS  35  -3.336   6.409  -1.832
  255   2HZ   LYS  35          2HZ       LYS  35  -3.185   7.930  -2.570
  256   3HZ   LYS  35          3HZ       LYS  35  -3.317   7.815  -0.883
  257    H    GLN  36           H        GLN  36  -3.460   4.730   3.206
  258    HA   GLN  36           HA       GLN  36  -2.458   2.466   4.740
  259   1HB   GLN  36          2HB       GLN  36  -4.104   2.956   6.563
  260   2HB   GLN  36          1HB       GLN  36  -2.762   4.084   6.456
  261   1HG   GLN  36          2HG       GLN  36  -4.288   5.598   5.151
  262   2HG   GLN  36          1HG       GLN  36  -5.606   4.517   5.603
  263   1HE2  GLN  36          1HE2      GLN  36  -6.197   4.350   7.785
  264   2HE2  GLN  36          2HE2      GLN  36  -5.786   5.585   8.925
  265    H    SER  37           H        SER  37  -3.749   0.650   4.625
  266    HA   SER  37           HA       SER  37  -6.121   0.882   2.935
  267   1HB   SER  37          2HB       SER  37  -5.412  -1.389   2.088
  268   2HB   SER  37          1HB       SER  37  -4.264  -0.114   1.707
  269    HG   SER  37           HG       SER  37  -4.073  -2.064   3.754
  270    H    ASN  38           H        ASN  38  -7.909   0.146   3.925
  271    HA   ASN  38           HA       ASN  38  -7.927  -0.564   6.619
  272   1HB   ASN  38          2HB       ASN  38  -9.995  -0.770   4.463
  273   2HB   ASN  38          1HB       ASN  38 -10.320  -1.417   6.068
  274   1HD2  ASN  38          1HD2      ASN  38  -8.362   1.431   5.429
  275   2HD2  ASN  38          2HD2      ASN  38  -9.461   2.567   6.132
  276    H    GLY  39           H        GLY  39  -7.838  -2.640   3.790
  277   1HA   GLY  39          2HA       GLY  39  -6.424  -4.671   4.464
  278   2HA   GLY  39          1HA       GLY  39  -7.732  -4.958   5.603
  279    H    LEU  40           H        LEU  40  -7.407  -7.047   4.141
  280    HA   LEU  40           HA       LEU  40  -9.684  -7.206   2.464
  281   1HB   LEU  40          2HB       LEU  40  -8.043  -6.265   0.849
  282   2HB   LEU  40          1HB       LEU  40  -6.969  -7.611   1.182
  283    HG   LEU  40           HG       LEU  40  -8.686  -9.162   0.283
  284   1HD1  LEU  40          1HD1      LEU  40 -10.570  -8.260  -0.971
  285   2HD1  LEU  40          2HD1      LEU  40 -10.118  -6.623  -0.493
  286   3HD1  LEU  40          3HD1      LEU  40 -10.656  -7.780   0.723
  287   1HD2  LEU  40          1HD2      LEU  40  -7.828  -6.949  -1.577
  288   2HD2  LEU  40          2HD2      LEU  40  -8.373  -8.552  -2.071
  289   3HD2  LEU  40          3HD2      LEU  40  -6.884  -8.373  -1.144
  290    H    HIS  41           H        HIS  41 -10.466  -9.252   2.804
  291    HA   HIS  41           HA       HIS  41  -8.562 -11.347   3.563
  292   1HB   HIS  41          2HB       HIS  41 -10.859 -10.431   5.304
  293   2HB   HIS  41          1HB       HIS  41  -9.999 -11.948   5.540
  294    HD1  HIS  41           1HD      HIS  41  -9.788  -8.313   6.177
  295    HD2  HIS  41           2HD      HIS  41  -7.296 -11.636   6.432
  296    HE1  HIS  41           1HE      HIS  41  -7.821  -7.588   7.574
  297    HE2  HIS  41           2HE      HIS  41  -6.226  -9.539   7.503
  298    H    GLY  42           H        GLY  42  -9.020 -12.605   1.852
  299   1HA   GLY  42          2HA       GLY  42 -11.327 -14.273   2.087
  300   2HA   GLY  42          1HA       GLY  42 -11.434 -13.223   0.678
  301    H    ASP  43           H        ASP  43 -11.460 -15.545  -0.243
  302    HA   ASP  43           HA       ASP  43  -8.684 -16.318  -0.840
  303   1HB   ASP  43          2HB       ASP  43 -10.398 -18.102  -0.216
  304   2HB   ASP  43          1HB       ASP  43 -11.178 -17.762  -1.759
  305    H    TYR  44           H        TYR  44  -8.374 -14.383  -2.005
  306    HA   TYR  44           HA       TYR  44 -10.056 -13.884  -4.326
  307   1HB   TYR  44          2HB       TYR  44  -8.003 -12.307  -2.821
  308   2HB   TYR  44          1HB       TYR  44  -8.416 -11.846  -4.468
  309    HD1  TYR  44           1HD      TYR  44  -9.925 -12.521  -1.146
  310    HD2  TYR  44           2HD      TYR  44 -10.292 -10.483  -4.860
  311    HE1  TYR  44           1HE      TYR  44 -11.866 -11.301  -0.275
  312    HE2  TYR  44           2HE      TYR  44 -12.242  -9.257  -3.995
  313    HH   TYR  44           HH       TYR  44 -13.086  -9.295  -0.659
  314    H    ASP  45           H        ASP  45  -9.328 -13.786  -6.403
  315    HA   ASP  45           HA       ASP  45  -6.590 -14.737  -6.896
  316   1HB   ASP  45          2HB       ASP  45  -9.026 -14.808  -8.699
  317   2HB   ASP  45          1HB       ASP  45  -7.401 -15.265  -9.205
  318    H    VAL  46           H        VAL  46  -5.957 -13.720  -9.272
  319    HA   VAL  46           HA       VAL  46  -5.014 -11.249  -8.523
  320    HB   VAL  46           HB       VAL  46  -5.427 -12.066 -11.396
  321   1HG1  VAL  46          1HG1      VAL  46  -3.337 -10.341 -10.068
  322   2HG1  VAL  46          2HG1      VAL  46  -4.664  -9.771 -11.081
  323   3HG1  VAL  46          3HG1      VAL  46  -3.386 -10.767 -11.778
  324   1HG2  VAL  46          1HG2      VAL  46  -3.235 -13.157 -11.249
  325   2HG2  VAL  46          2HG2      VAL  46  -4.419 -13.920 -10.189
  326   3HG2  VAL  46          3HG2      VAL  46  -3.199 -12.840  -9.515
  327    H    GLU  47           H        GLU  47  -7.454 -11.660 -11.121
  328    HA   GLU  47           HA       GLU  47  -8.247  -9.158 -11.566
  329   1HB   GLU  47          2HB       GLU  47 -10.182 -11.443 -11.214
  330   2HB   GLU  47          1HB       GLU  47 -10.410 -10.022 -12.222
  331   1HG   GLU  47          2HG       GLU  47  -8.346 -12.173 -12.632
  332   2HG   GLU  47          1HG       GLU  47  -9.840 -11.975 -13.547
  333    H    SER  48           H        SER  48  -9.851 -11.141  -9.030
  334    HA   SER  48           HA       SER  48 -11.585  -9.015  -8.292
  335   1HB   SER  48          2HB       SER  48 -10.931 -11.500  -6.703
  336   2HB   SER  48          1HB       SER  48 -12.391 -10.522  -6.609
  337    HG   SER  48           HG       SER  48 -11.950 -12.613  -8.147
  338    H    GLY  49           H        GLY  49  -8.425 -10.032  -7.333
  339   1HA   GLY  49          2HA       GLY  49  -8.486  -8.856  -4.710
  340   2HA   GLY  49          1HA       GLY  49  -7.070  -9.483  -5.544
  341    H    LEU  50           H        LEU  50  -7.319  -7.896  -7.905
  342    HA   LEU  50           HA       LEU  50  -5.969  -5.569  -6.946
  343   1HB   LEU  50          2HB       LEU  50  -6.891  -6.292  -9.730
  344   2HB   LEU  50          1HB       LEU  50  -5.830  -4.953  -9.337
  345    HG   LEU  50           HG       LEU  50  -5.211  -7.885  -8.973
  346   1HD1  LEU  50          1HD1      LEU  50  -3.528  -7.501 -10.693
  347   2HD1  LEU  50          2HD1      LEU  50  -4.068  -5.828 -10.856
  348   3HD1  LEU  50          3HD1      LEU  50  -5.149  -7.151 -11.296
  349   1HD2  LEU  50          1HD2      LEU  50  -2.982  -7.147  -8.309
  350   2HD2  LEU  50          2HD2      LEU  50  -4.213  -6.546  -7.198
  351   3HD2  LEU  50          3HD2      LEU  50  -3.508  -5.465  -8.399
  352    H    GLN  51           H        GLN  51  -9.122  -6.201  -8.436
  353    HA   GLN  51           HA       GLN  51 -10.041  -3.643  -8.800
  354   1HB   GLN  51          2HB       GLN  51 -11.234  -5.658  -9.524
  355   2HB   GLN  51          1HB       GLN  51 -11.622  -6.033  -7.850
  356   1HG   GLN  51          2HG       GLN  51 -12.908  -3.939  -7.705
  357   2HG   GLN  51          1HG       GLN  51 -12.564  -3.632  -9.406
  358   1HE2  GLN  51          1HE2      GLN  51 -13.585  -4.881 -10.983
  359   2HE2  GLN  51          2HE2      GLN  51 -14.961  -5.866 -10.614
  360    H    GLN  52           H        GLN  52 -10.387  -5.595  -5.822
  361    HA   GLN  52           HA       GLN  52 -11.739  -3.575  -4.385
  362   1HB   GLN  52          2HB       GLN  52 -10.203  -6.004  -3.495
  363   2HB   GLN  52          1HB       GLN  52 -10.964  -4.908  -2.349
  364   1HG   GLN  52          2HG       GLN  52 -12.370  -6.432  -4.532
  365   2HG   GLN  52          1HG       GLN  52 -12.372  -6.846  -2.818
  366   1HE2  GLN  52          1HE2      GLN  52 -13.557  -4.662  -5.243
  367   2HE2  GLN  52          2HE2      GLN  52 -14.765  -3.900  -4.271
  368    H    LEU  53           H        LEU  53  -8.320  -4.403  -4.648
  369    HA   LEU  53           HA       LEU  53  -7.307  -2.633  -2.740
  370   1HB   LEU  53          2HB       LEU  53  -6.088  -3.643  -5.304
  371   2HB   LEU  53          1HB       LEU  53  -5.199  -2.728  -4.102
  372    HG   LEU  53           HG       LEU  53  -6.491  -5.419  -3.654
  373   1HD1  LEU  53          1HD1      LEU  53  -3.598  -4.635  -3.973
  374   2HD1  LEU  53          2HD1      LEU  53  -4.559  -5.595  -5.099
  375   3HD1  LEU  53          3HD1      LEU  53  -4.179  -6.231  -3.498
  376   1HD2  LEU  53          1HD2      LEU  53  -5.323  -5.386  -1.507
  377   2HD2  LEU  53          2HD2      LEU  53  -6.477  -4.058  -1.634
  378   3HD2  LEU  53          3HD2      LEU  53  -4.754  -3.749  -1.840
  379    H    LEU  54           H        LEU  54  -8.606  -1.990  -5.884
  380    HA   LEU  54           HA       LEU  54  -7.213   0.485  -6.299
  381   1HB   LEU  54          2HB       LEU  54  -9.665  -0.653  -7.629
  382   2HB   LEU  54          1HB       LEU  54  -8.841   0.804  -8.148
  383    HG   LEU  54           HG       LEU  54  -7.626  -1.957  -8.115
  384   1HD1  LEU  54          1HD1      LEU  54  -8.645  -0.277 -10.400
  385   2HD1  LEU  54          2HD1      LEU  54  -9.357  -1.775  -9.803
  386   3HD1  LEU  54          3HD1      LEU  54  -7.764  -1.795 -10.561
  387   1HD2  LEU  54          1HD2      LEU  54  -5.958  -0.232  -7.776
  388   2HD2  LEU  54          2HD2      LEU  54  -6.582   0.671  -9.157
  389   3HD2  LEU  54          3HD2      LEU  54  -5.817  -0.899  -9.402
  390    H    ASP  55           H        ASP  55  -9.865  -0.382  -4.374
  391    HA   ASP  55           HA       ASP  55 -11.258   2.133  -4.639
  392   1HB   ASP  55          2HB       ASP  55 -12.497   0.044  -4.187
  393   2HB   ASP  55          1HB       ASP  55 -11.678  -0.090  -2.633
  394    H    GLY  56           H        GLY  56 -10.154   3.839  -3.913
  395   1HA   GLY  56          2HA       GLY  56  -9.636   5.366  -2.258
  396   2HA   GLY  56          1HA       GLY  56  -9.949   4.125  -1.057
  397    H    SER  57           H        SER  57  -7.707   3.370  -3.579
  398    HA   SER  57           HA       SER  57  -5.587   3.279  -1.593
  399   1HB   SER  57          2HB       SER  57  -4.310   2.197  -3.500
  400   2HB   SER  57          1HB       SER  57  -5.743   1.331  -2.946
  401    HG   SER  57           HG       SER  57  -6.243   1.392  -4.990
  402    H    GLY  58           H        GLY  58  -6.511   5.082  -4.427
  403   1HA   GLY  58          2HA       GLY  58  -5.720   7.188  -5.060
  404   2HA   GLY  58          1HA       GLY  58  -4.385   7.007  -3.927
  405    H    LEU  59           H        LEU  59  -4.830   4.263  -5.776
  406    HA   LEU  59           HA       LEU  59  -2.748   5.084  -7.678
  407   1HB   LEU  59          2HB       LEU  59  -2.859   2.513  -6.097
  408   2HB   LEU  59          1HB       LEU  59  -1.693   2.879  -7.351
  409    HG   LEU  59           HG       LEU  59  -1.965   4.429  -4.779
  410   1HD1  LEU  59          1HD1      LEU  59  -1.209   2.152  -4.346
  411   2HD1  LEU  59          2HD1      LEU  59   0.101   3.307  -4.102
  412   3HD1  LEU  59          3HD1      LEU  59   0.052   2.328  -5.567
  413   1HD2  LEU  59          1HD2      LEU  59  -1.046   5.748  -6.603
  414   2HD2  LEU  59          2HD2      LEU  59   0.135   4.483  -6.944
  415   3HD2  LEU  59          3HD2      LEU  59   0.209   5.369  -5.423
  416    H    GLN  60           H        GLN  60  -2.495   3.352  -9.421
  417    HA   GLN  60           HA       GLN  60  -4.998   1.947 -10.005
  418   1HB   GLN  60          2HB       GLN  60  -4.993   4.077 -11.283
  419   2HB   GLN  60          1HB       GLN  60  -3.460   3.619 -12.008
  420   1HG   GLN  60          2HG       GLN  60  -4.638   1.581 -12.915
  421   2HG   GLN  60          1HG       GLN  60  -6.146   2.331 -12.397
  422   1HE2  GLN  60          1HE2      GLN  60  -3.409   4.123 -13.599
  423   2HE2  GLN  60          2HE2      GLN  60  -4.123   4.609 -15.097
  424    H    VAL  61           H        VAL  61  -4.510  -0.131 -10.276
  425    HA   VAL  61           HA       VAL  61  -1.763  -0.915 -10.772
  426    HB   VAL  61           HB       VAL  61  -4.186  -2.658 -10.275
  427   1HG1  VAL  61          1HG1      VAL  61  -2.518  -4.387  -9.717
  428   2HG1  VAL  61          2HG1      VAL  61  -1.236  -3.291 -10.232
  429   3HG1  VAL  61          3HG1      VAL  61  -2.423  -3.871 -11.400
  430   1HG2  VAL  61          1HG2      VAL  61  -3.767  -1.213  -8.373
  431   2HG2  VAL  61          2HG2      VAL  61  -2.066  -1.681  -8.365
  432   3HG2  VAL  61          3HG2      VAL  61  -3.310  -2.873  -7.987
  433    H    LYS  62           H        LYS  62  -1.022  -1.196 -12.754
  434    HA   LYS  62           HA       LYS  62  -2.828  -2.297 -14.801
  435   1HB   LYS  62          2HB       LYS  62  -0.779  -0.102 -15.000
  436   2HB   LYS  62          1HB       LYS  62  -1.282  -1.009 -16.417
  437   1HG   LYS  62          2HG       LYS  62  -3.323   0.305 -14.673
  438   2HG   LYS  62          1HG       LYS  62  -2.420   1.248 -15.859
  439   1HD   LYS  62          2HD       LYS  62  -4.049  -1.222 -16.468
  440   2HD   LYS  62          1HD       LYS  62  -4.569   0.440 -16.750
  441   1HE   LYS  62          2HE       LYS  62  -2.604   0.744 -18.243
  442   2HE   LYS  62          1HE       LYS  62  -2.239  -0.969 -18.037
  443   1HZ   LYS  62          1HZ       LYS  62  -4.735   0.138 -19.212
  444   2HZ   LYS  62          2HZ       LYS  62  -4.379  -1.512 -19.027
  445   3HZ   LYS  62          3HZ       LYS  62  -3.457  -0.558 -20.079
  446    HA   PRO  63           HA       PRO  63   0.332  -5.544 -14.772
  447   1HB   PRO  63          2HB       PRO  63  -1.225  -6.313 -17.192
  448   2HB   PRO  63          1HB       PRO  63  -0.754  -7.295 -15.801
  449   1HG   PRO  63          2HG       PRO  63  -3.271  -6.487 -16.099
  450   2HG   PRO  63          1HG       PRO  63  -2.510  -6.522 -14.496
  451   1HD   PRO  63          2HD       PRO  63  -3.031  -4.185 -16.293
  452   2HD   PRO  63          1HD       PRO  63  -3.181  -4.302 -14.527
  453    H    LEU  64           H        LEU  64   2.268  -5.187 -15.621
  454    HA   LEU  64           HA       LEU  64   2.579  -3.218 -17.679
  455   1HB   LEU  64          2HB       LEU  64   4.031  -3.600 -15.582
  456   2HB   LEU  64          1HB       LEU  64   4.796  -4.876 -16.504
  457    HG   LEU  64           HG       LEU  64   6.025  -2.688 -16.480
  458   1HD1  LEU  64          1HD1      LEU  64   6.564  -2.695 -18.868
  459   2HD1  LEU  64          2HD1      LEU  64   5.155  -3.710 -19.178
  460   3HD1  LEU  64          3HD1      LEU  64   6.490  -4.325 -18.204
  461   1HD2  LEU  64          1HD2      LEU  64   3.716  -1.795 -18.197
  462   2HD2  LEU  64          2HD2      LEU  64   5.209  -0.895 -17.928
  463   3HD2  LEU  64          3HD2      LEU  64   4.109  -1.199 -16.584
  464    H    GLY  65           H        GLY  65   3.703  -6.623 -17.405
  465   1HA   GLY  65          2HA       GLY  65   3.590  -6.711 -20.348
  466   2HA   GLY  65          1HA       GLY  65   4.930  -7.405 -19.446
  467    H    ASN  66           H        ASN  66   4.724  -9.394 -18.528
  468    HA   ASN  66           HA       ASN  66   2.422 -10.921 -19.465
  469   1HB   ASN  66          2HB       ASN  66   4.722 -11.765 -19.889
  470   2HB   ASN  66          1HB       ASN  66   4.956 -11.926 -18.152
  471   1HD2  ASN  66          1HD2      ASN  66   2.011 -12.631 -19.937
  472   2HD2  ASN  66          2HD2      ASN  66   1.994 -14.327 -19.603
  473    H    ASN  67           H        ASN  67   4.331 -11.216 -16.470
  474    HA   ASN  67           HA       ASN  67   1.786 -11.375 -14.994
  475   1HB   ASN  67          2HB       ASN  67   2.763 -13.048 -13.525
  476   2HB   ASN  67          1HB       ASN  67   2.880 -13.590 -15.194
  477   1HD2  ASN  67          1HD2      ASN  67   4.421 -14.249 -12.745
  478   2HD2  ASN  67          2HD2      ASN  67   6.083 -13.969 -13.165
  479    H    SER  68           H        SER  68   3.307  -9.000 -15.411
  480    HA   SER  68           HA       SER  68   4.095  -8.434 -12.642
  481   1HB   SER  68          2HB       SER  68   6.118  -8.512 -14.057
  482   2HB   SER  68          1HB       SER  68   5.395  -7.350 -15.165
  483    HG   SER  68           HG       SER  68   6.224  -6.950 -12.480
  484    H    TRP  69           H        TRP  69   4.106  -5.842 -12.459
  485    HA   TRP  69           HA       TRP  69   1.754  -4.783 -13.762
  486   1HB   TRP  69          2HB       TRP  69   1.792  -4.731 -10.748
  487   2HB   TRP  69          1HB       TRP  69   0.481  -4.301 -11.826
  488    HD1  TRP  69           HD       TRP  69   0.592  -7.256 -13.415
  489    HE1  TRP  69           1HE      TRP  69  -0.463  -9.248 -12.156
  490    HE3  TRP  69           3HE      TRP  69   0.660  -5.334  -8.726
  491    HZ2  TRP  69           2HZ      TRP  69  -1.207  -9.885  -9.497
  492    HZ3  TRP  69           3HZ      TRP  69  -0.228  -6.662  -6.869
  493    HH2  TRP  69           HH       TRP  69  -1.155  -8.897  -7.243
  494    H    THR  70           H        THR  70   1.542  -2.457 -13.242
  495    HA   THR  70           HA       THR  70   3.807  -1.324 -11.778
  496    HB   THR  70           HB       THR  70   4.354  -1.277 -14.232
  497    HG1  THR  70           1HG      THR  70   4.492   1.261 -14.086
  498   1HG2  THR  70          1HG2      THR  70   3.187   0.339 -15.656
  499   2HG2  THR  70          2HG2      THR  70   2.031   0.653 -14.360
  500   3HG2  THR  70          3HG2      THR  70   2.100  -0.938 -15.117
  501    H    LEU  71           H        LEU  71   3.343   0.658 -10.778
  502    HA   LEU  71           HA       LEU  71   0.479   1.153 -10.538
  503   1HB   LEU  71          2HB       LEU  71   2.853   1.863  -8.852
  504   2HB   LEU  71          1HB       LEU  71   1.358   2.759  -8.674
  505    HG   LEU  71           HG       LEU  71   1.447   1.052  -6.989
  506   1HD1  LEU  71          1HD1      LEU  71  -0.743   1.511  -7.922
  507   2HD1  LEU  71          2HD1      LEU  71  -0.608  -0.194  -7.488
  508   3HD1  LEU  71          3HD1      LEU  71  -0.486   0.299  -9.178
  509   1HD2  LEU  71          1HD2      LEU  71   1.750  -0.952  -9.223
  510   2HD2  LEU  71          2HD2      LEU  71   1.596  -1.316  -7.504
  511   3HD2  LEU  71          3HD2      LEU  71   3.020  -0.463  -8.101
  512    H    GLU  72           H        GLU  72  -0.116   2.315 -12.199
  513    HA   GLU  72           HA       GLU  72   1.213   4.791 -12.883
  514   1HB   GLU  72          2HB       GLU  72  -1.465   3.744 -13.818
  515   2HB   GLU  72          1HB       GLU  72  -0.594   5.110 -14.506
  516   1HG   GLU  72          2HG       GLU  72   1.305   3.386 -14.872
  517   2HG   GLU  72          1HG       GLU  72   0.021   2.196 -14.674
  518    HA   PRO  73           HA       PRO  73  -0.669   7.102  -9.647
  519   1HB   PRO  73          2HB       PRO  73  -0.076   9.432 -11.382
  520   2HB   PRO  73          1HB       PRO  73   0.452   9.095  -9.730
  521   1HG   PRO  73          2HG       PRO  73   2.148   8.896 -11.778
  522   2HG   PRO  73          1HG       PRO  73   2.205   7.747 -10.427
  523   1HD   PRO  73          2HD       PRO  73   1.022   7.405 -13.159
  524   2HD   PRO  73          1HD       PRO  73   1.984   6.257 -12.201
  525    H    ALA  74           H        ALA  74  -2.769   6.999  -9.496
  526    HA   ALA  74           HA       ALA  74  -4.430   8.852 -10.926
  527   1HB   ALA  74          1HB       ALA  74  -4.400   6.961 -12.505
  528   2HB   ALA  74          2HB       ALA  74  -5.999   7.196 -11.799
  529   3HB   ALA  74          3HB       ALA  74  -4.963   5.891 -11.222
  530    HA   PRO  75           HA       PRO  75  -5.336   7.932  -6.537
  531   1HB   PRO  75          2HB       PRO  75  -5.691  10.469  -5.713
  532   2HB   PRO  75          1HB       PRO  75  -4.083   9.786  -5.982
  533   1HG   PRO  75          2HG       PRO  75  -5.704  11.568  -7.757
  534   2HG   PRO  75          1HG       PRO  75  -3.973  11.638  -7.381
  535   1HD   PRO  75          2HD       PRO  75  -4.983  10.536  -9.674
  536   2HD   PRO  75          1HD       PRO  75  -3.447  10.038  -8.933
  537    H    ALA  76           H        ALA  76  -7.319   7.286  -8.182
  538    HA   ALA  76           HA       ALA  76  -9.551   7.246  -8.590
  539   1HB   ALA  76          1HB       ALA  76  -9.728   8.469  -5.836
  540   2HB   ALA  76          2HB       ALA  76  -9.614   6.745  -6.189
  541   3HB   ALA  76          3HB       ALA  76 -11.033   7.656  -6.702
  542    HA   PRO  77           HA       PRO  77  -9.583  11.807  -9.441
  543   1HB   PRO  77          2HB       PRO  77  -8.614  11.833 -11.960
  544   2HB   PRO  77          1HB       PRO  77  -7.565  11.821 -10.543
  545   1HG   PRO  77          2HG       PRO  77  -8.113   9.686 -12.482
  546   2HG   PRO  77          1HG       PRO  77  -6.738   9.887 -11.386
  547   1HD   PRO  77          2HD       PRO  77  -9.048   8.211 -11.059
  548   2HD   PRO  77          1HD       PRO  77  -7.661   8.397  -9.967
  549    H    LYS  78           H        LYS  78 -10.583  12.938 -11.527
  550    HA   LYS  78           HA       LYS  78 -12.461  11.353 -12.973
  551   1HB   LYS  78          2HB       LYS  78 -13.444  11.625 -10.595
  552   2HB   LYS  78          1HB       LYS  78 -13.729  13.297 -11.060
  553   1HG   LYS  78          2HG       LYS  78 -15.706  11.900 -11.381
  554   2HG   LYS  78          1HG       LYS  78 -15.123  12.572 -12.906
  555   1HD   LYS  78          2HD       LYS  78 -14.022  10.461 -13.433
  556   2HD   LYS  78          1HD       LYS  78 -14.550   9.786 -11.891
  557   1HE   LYS  78          2HE       LYS  78 -16.414  10.776 -14.041
  558   2HE   LYS  78          1HE       LYS  78 -15.934   9.092 -13.845
  559   1HZ   LYS  78          1HZ       LYS  78 -17.379  10.728 -11.828
  560   2HZ   LYS  78          2HZ       LYS  78 -16.910   9.112 -11.631
  561   3HZ   LYS  78          3HZ       LYS  78 -18.061   9.525 -12.808
  562    H    GLU  79           H        GLU  79 -10.950  12.598 -14.374
  563    HA   GLU  79           HA       GLU  79 -11.843  15.348 -14.847
  564   1HB   GLU  79          2HB       GLU  79  -9.579  13.729 -16.043
  565   2HB   GLU  79          1HB       GLU  79 -10.001  15.353 -16.565
  566   1HG   GLU  79          2HG       GLU  79  -8.158  15.547 -15.096
  567   2HG   GLU  79          1HG       GLU  79  -9.574  16.129 -14.229
  568    H    ASP  80           H        ASP  80 -12.641  12.275 -15.613
  569    HA   ASP  80           HA       ASP  80 -14.177  13.138 -17.923
  570   1HB   ASP  80          2HB       ASP  80 -12.099  12.167 -18.846
  571   2HB   ASP  80          1HB       ASP  80 -12.428  10.669 -17.976
  Start of MODEL    3
    1   1H    ALA   1          1HT       ALA   1 -11.680 -18.157   0.178
    2   2H    ALA   1          2HT       ALA   1 -12.313 -17.591   1.652
    3   3H    ALA   1          3HT       ALA   1 -10.874 -18.483   1.634
    4    HA   ALA   1           HA       ALA   1 -11.225 -15.838   0.361
    5   1HB   ALA   1          1HB       ALA   1  -9.871 -14.956   2.187
    6   2HB   ALA   1          2HB       ALA   1  -9.827 -16.549   2.939
    7   3HB   ALA   1          3HB       ALA   1 -11.355 -15.681   2.804
    8    H    GLN   2           H        GLN   2  -9.909 -15.826  -1.360
    9    HA   GLN   2           HA       GLN   2  -7.662 -17.596  -1.454
   10   1HB   GLN   2          2HB       GLN   2  -9.107 -17.224  -3.445
   11   2HB   GLN   2          1HB       GLN   2  -8.500 -15.575  -3.517
   12   1HG   GLN   2          2HG       GLN   2  -6.310 -16.304  -4.038
   13   2HG   GLN   2          1HG       GLN   2  -6.699 -17.976  -3.645
   14   1HE2  GLN   2          1HE2      GLN   2  -8.828 -15.904  -5.497
   15   2HE2  GLN   2          2HE2      GLN   2  -8.643 -16.745  -6.995
   16    H    VAL   3           H        VAL   3  -8.263 -14.551  -0.403
   17    HA   VAL   3           HA       VAL   3  -5.416 -13.979  -0.122
   18    HB   VAL   3           HB       VAL   3  -5.730 -11.587  -0.648
   19   1HG1  VAL   3          1HG1      VAL   3  -4.863 -13.029  -2.385
   20   2HG1  VAL   3          2HG1      VAL   3  -5.912 -11.801  -3.093
   21   3HG1  VAL   3          3HG1      VAL   3  -6.500 -13.450  -2.888
   22   1HG2  VAL   3          1HG2      VAL   3  -7.745 -10.825  -1.812
   23   2HG2  VAL   3          2HG2      VAL   3  -8.118 -11.405  -0.187
   24   3HG2  VAL   3          3HG2      VAL   3  -8.474 -12.415  -1.589
   25    H    ASN   4           H        ASN   4  -4.915 -12.729   1.722
   26    HA   ASN   4           HA       ASN   4  -7.149 -12.204   3.549
   27   1HB   ASN   4          2HB       ASN   4  -4.604 -13.713   4.138
   28   2HB   ASN   4          1HB       ASN   4  -5.528 -12.928   5.414
   29   1HD2  ASN   4          1HD2      ASN   4  -4.944 -15.770   4.913
   30   2HD2  ASN   4          2HD2      ASN   4  -6.485 -16.557   4.843
   31    H    ILE   5           H        ILE   5  -7.147 -10.055   3.602
   32    HA   ILE   5           HA       ILE   5  -4.588  -8.665   4.043
   33    HB   ILE   5           HB       ILE   5  -6.771  -7.695   2.176
   34   1HG1  ILE   5          2HG1      ILE   5  -4.021  -8.769   1.512
   35   2HG1  ILE   5          1HG1      ILE   5  -5.525  -9.652   1.286
   36   1HG2  ILE   5          1HG2      ILE   5  -5.148  -5.968   1.543
   37   2HG2  ILE   5          2HG2      ILE   5  -4.019  -6.589   2.747
   38   3HG2  ILE   5          3HG2      ILE   5  -5.551  -5.880   3.259
   39   1HD1  ILE   5          1HD1      ILE   5  -6.260  -7.981  -0.328
   40   2HD1  ILE   5          2HD1      ILE   5  -4.724  -8.710  -0.801
   41   3HD1  ILE   5          3HD1      ILE   5  -4.755  -7.093  -0.095
   42    H    ALA   6           H        ALA   6  -4.801  -6.624   5.161
   43    HA   ALA   6           HA       ALA   6  -7.292  -5.855   6.354
   44   1HB   ALA   6          1HB       ALA   6  -5.246  -7.288   8.055
   45   2HB   ALA   6          2HB       ALA   6  -6.855  -7.880   7.642
   46   3HB   ALA   6          3HB       ALA   6  -6.678  -6.452   8.664
   47    HA   PRO   7           HA       PRO   7  -5.464  -1.936   7.058
   48   1HB   PRO   7          2HB       PRO   7  -5.641  -2.314  10.015
   49   2HB   PRO   7          1HB       PRO   7  -6.181  -0.957   9.019
   50   1HG   PRO   7          2HG       PRO   7  -7.933  -2.711   9.955
   51   2HG   PRO   7          1HG       PRO   7  -8.093  -2.071   8.310
   52   1HD   PRO   7          2HD       PRO   7  -7.137  -4.744   9.223
   53   2HD   PRO   7          1HD       PRO   7  -8.063  -4.310   7.774
   54    H    GLY   8           H        GLY   8  -3.442  -1.191   7.028
   55   1HA   GLY   8          2HA       GLY   8  -1.470  -1.064   8.733
   56   2HA   GLY   8          1HA       GLY   8  -1.354  -2.772   8.340
   57    H    SER   9           H        SER   9  -1.611   0.359   6.667
   58    HA   SER   9           HA       SER   9  -0.487   1.284   4.933
   59   1HB   SER   9          2HB       SER   9   1.570  -0.850   5.547
   60   2HB   SER   9          1HB       SER   9   1.833   0.542   4.497
   61    HG   SER   9           HG       SER   9   2.286   1.626   6.223
   62    H    LEU  10           H        LEU  10  -1.269   1.162   2.931
   63    HA   LEU  10           HA       LEU  10  -2.293  -1.162   1.777
   64   1HB   LEU  10          2HB       LEU  10  -3.096   1.032   1.202
   65   2HB   LEU  10          1HB       LEU  10  -1.521   1.496   0.592
   66    HG   LEU  10           HG       LEU  10  -1.769  -0.207  -1.210
   67   1HD1  LEU  10          1HD1      LEU  10  -4.023  -1.086  -1.657
   68   2HD1  LEU  10          2HD1      LEU  10  -4.562  -0.441  -0.107
   69   3HD1  LEU  10          3HD1      LEU  10  -3.337  -1.707  -0.158
   70   1HD2  LEU  10          1HD2      LEU  10  -3.933   1.884  -1.055
   71   2HD2  LEU  10          2HD2      LEU  10  -3.342   1.109  -2.526
   72   3HD2  LEU  10          3HD2      LEU  10  -2.272   2.148  -1.585
   73    H    ASP  11           H        ASP  11   0.784   0.526   1.181
   74    HA   ASP  11           HA       ASP  11   1.713  -0.975  -0.942
   75   1HB   ASP  11          2HB       ASP  11   3.939  -0.288  -0.354
   76   2HB   ASP  11          1HB       ASP  11   2.834   1.033  -0.013
   77    H    LYS  12           H        LYS  12   1.784  -1.766   2.491
   78    HA   LYS  12           HA       LYS  12   3.379  -4.087   2.262
   79   1HB   LYS  12          2HB       LYS  12   2.969  -2.930   4.397
   80   2HB   LYS  12          1HB       LYS  12   1.273  -3.385   4.318
   81   1HG   LYS  12          2HG       LYS  12   1.922  -5.752   4.428
   82   2HG   LYS  12          1HG       LYS  12   3.612  -5.261   4.569
   83   1HD   LYS  12          2HD       LYS  12   3.084  -4.058   6.638
   84   2HD   LYS  12          1HD       LYS  12   1.397  -4.562   6.501
   85   1HE   LYS  12          2HE       LYS  12   2.083  -6.900   6.655
   86   2HE   LYS  12          1HE       LYS  12   3.769  -6.402   6.773
   87   1HZ   LYS  12          1HZ       LYS  12   2.940  -6.878   8.950
   88   2HZ   LYS  12          2HZ       LYS  12   1.616  -5.843   8.741
   89   3HZ   LYS  12          3HZ       LYS  12   3.183  -5.205   8.834
   90    H    ALA  13           H        ALA  13   0.002  -3.435   1.707
   91    HA   ALA  13           HA       ALA  13  -0.942  -6.118   1.898
   92   1HB   ALA  13          1HB       ALA  13  -2.958  -5.271   0.806
   93   2HB   ALA  13          2HB       ALA  13  -2.131  -3.757   0.442
   94   3HB   ALA  13          3HB       ALA  13  -2.447  -4.206   2.116
   95    H    LEU  14           H        LEU  14  -0.303  -3.995  -0.905
   96    HA   LEU  14           HA       LEU  14  -0.479  -5.926  -2.898
   97   1HB   LEU  14          2HB       LEU  14   1.325  -3.503  -2.818
   98   2HB   LEU  14          1HB       LEU  14   0.870  -4.392  -4.259
   99    HG   LEU  14           HG       LEU  14  -1.038  -2.849  -2.496
  100   1HD1  LEU  14          1HD1      LEU  14   0.083  -2.199  -5.219
  101   2HD1  LEU  14          2HD1      LEU  14   0.479  -1.378  -3.710
  102   3HD1  LEU  14          3HD1      LEU  14  -1.155  -1.281  -4.364
  103   1HD2  LEU  14          1HD2      LEU  14  -2.629  -3.230  -4.332
  104   2HD2  LEU  14          2HD2      LEU  14  -2.126  -4.731  -3.557
  105   3HD2  LEU  14          3HD2      LEU  14  -1.449  -4.275  -5.120
  106    H    ASN  15           H        ASN  15   2.240  -4.964  -0.876
  107    HA   ASN  15           HA       ASN  15   4.268  -6.446  -2.118
  108   1HB   ASN  15          2HB       ASN  15   4.669  -4.731  -0.384
  109   2HB   ASN  15          1HB       ASN  15   3.947  -5.789   0.822
  110   1HD2  ASN  15          1HD2      ASN  15   5.099  -7.542   1.580
  111   2HD2  ASN  15          2HD2      ASN  15   6.789  -7.762   1.267
  112    H    GLN  16           H        GLN  16   1.894  -7.327   0.328
  113    HA   GLN  16           HA       GLN  16   2.838  -9.912   0.875
  114   1HB   GLN  16          2HB       GLN  16   1.222  -8.773   2.302
  115   2HB   GLN  16          1HB       GLN  16   0.032  -8.789   1.014
  116   1HG   GLN  16          2HG       GLN  16   1.142 -11.375   1.982
  117   2HG   GLN  16          1HG       GLN  16  -0.050 -10.531   2.966
  118   1HE2  GLN  16          1HE2      GLN  16  -1.404  -9.413   0.633
  119   2HE2  GLN  16          2HE2      GLN  16  -2.306 -10.712  -0.062
  120    H    TYR  17           H        TYR  17   0.640  -8.695  -1.661
  121    HA   TYR  17           HA       TYR  17  -0.167 -11.283  -2.532
  122   1HB   TYR  17          2HB       TYR  17  -1.307  -8.972  -2.927
  123   2HB   TYR  17          1HB       TYR  17  -0.190  -8.833  -4.280
  124    HD1  TYR  17           1HD      TYR  17  -0.231 -10.688  -6.049
  125    HD2  TYR  17           2HD      TYR  17  -3.330 -10.180  -3.164
  126    HE1  TYR  17           1HE      TYR  17  -1.764 -11.973  -7.469
  127    HE2  TYR  17           2HE      TYR  17  -4.862 -11.467  -4.588
  128    HH   TYR  17           HH       TYR  17  -3.796 -13.298  -7.251
  129    H    ALA  18           H        ALA  18   2.265  -8.925  -3.579
  130    HA   ALA  18           HA       ALA  18   3.298 -10.201  -5.786
  131   1HB   ALA  18          1HB       ALA  18   4.874  -8.699  -3.701
  132   2HB   ALA  18          2HB       ALA  18   3.983  -7.972  -5.039
  133   3HB   ALA  18          3HB       ALA  18   5.369  -9.012  -5.366
  134    H    ALA  19           H        ALA  19   4.172 -10.728  -2.393
  135    HA   ALA  19           HA       ALA  19   6.255 -12.560  -2.841
  136   1HB   ALA  19          1HB       ALA  19   6.038 -13.116  -0.487
  137   2HB   ALA  19          2HB       ALA  19   4.464 -12.321  -0.429
  138   3HB   ALA  19          3HB       ALA  19   5.921 -11.372  -0.729
  139    H    HIS  20           H        HIS  20   2.877 -12.966  -3.147
  140    HA   HIS  20           HA       HIS  20   2.556 -15.647  -2.435
  141   1HB   HIS  20          2HB       HIS  20   0.696 -14.081  -2.838
  142   2HB   HIS  20          1HB       HIS  20   1.079 -14.069  -4.554
  143    HD1  HIS  20           1HD      HIS  20  -0.249 -16.387  -1.866
  144    HD2  HIS  20           2HD      HIS  20  -0.090 -16.057  -6.011
  145    HE1  HIS  20           1HE      HIS  20  -1.751 -18.200  -2.754
  146    HE2  HIS  20           2HE      HIS  20  -1.681 -17.954  -5.263
  147    H    SER  21           H        SER  21   3.349 -14.241  -5.639
  148    HA   SER  21           HA       SER  21   4.126 -16.964  -6.451
  149   1HB   SER  21          2HB       SER  21   2.160 -16.114  -7.682
  150   2HB   SER  21          1HB       SER  21   3.112 -14.732  -8.226
  151    HG   SER  21           HG       SER  21   2.892 -17.000  -9.446
  152    H    GLY  22           H        GLY  22   5.236 -13.799  -5.917
  153   1HA   GLY  22          2HA       GLY  22   7.375 -12.936  -6.052
  154   2HA   GLY  22          1HA       GLY  22   7.912 -14.493  -6.664
  155    H    PHE  23           H        PHE  23   5.861 -11.800  -7.765
  156    HA   PHE  23           HA       PHE  23   7.154 -12.035 -10.402
  157   1HB   PHE  23          2HB       PHE  23   4.996 -10.727 -11.108
  158   2HB   PHE  23          1HB       PHE  23   4.922 -12.465 -10.851
  159    HD1  PHE  23           1HD      PHE  23   3.452 -13.376  -9.308
  160    HD2  PHE  23           2HD      PHE  23   4.279  -9.205  -9.204
  161    HE1  PHE  23           1HE      PHE  23   1.657 -13.069  -7.655
  162    HE2  PHE  23           2HE      PHE  23   2.491  -8.893  -7.551
  163    HZ   PHE  23           HZ       PHE  23   1.179 -10.823  -6.774
  164    H    THR  24           H        THR  24   7.077  -9.922 -11.656
  165    HA   THR  24           HA       THR  24   8.417  -7.949 -10.007
  166    HB   THR  24           HB       THR  24   8.047  -7.918 -13.005
  167    HG1  THR  24           1HG      THR  24  10.153  -9.079 -11.448
  168   1HG2  THR  24          1HG2      THR  24  10.084  -6.630 -11.183
  169   2HG2  THR  24          2HG2      THR  24   8.800  -5.805 -12.066
  170   3HG2  THR  24          3HG2      THR  24  10.118  -6.577 -12.944
  171    H    LEU  25           H        LEU  25   6.968  -6.723  -8.952
  172    HA   LEU  25           HA       LEU  25   4.751  -5.479 -10.387
  173   1HB   LEU  25          2HB       LEU  25   4.803  -6.461  -7.934
  174   2HB   LEU  25          1HB       LEU  25   5.438  -4.875  -7.546
  175    HG   LEU  25           HG       LEU  25   2.798  -5.345  -8.932
  176   1HD1  LEU  25          1HD1      LEU  25   2.773  -6.273  -6.698
  177   2HD1  LEU  25          2HD1      LEU  25   1.785  -4.817  -6.784
  178   3HD1  LEU  25          3HD1      LEU  25   3.383  -4.755  -6.043
  179   1HD2  LEU  25          1HD2      LEU  25   2.346  -3.019  -8.370
  180   2HD2  LEU  25          2HD2      LEU  25   3.793  -3.147  -9.372
  181   3HD2  LEU  25          3HD2      LEU  25   3.944  -2.873  -7.636
  182    H    SER  26           H        SER  26   4.887  -3.467 -11.186
  183    HA   SER  26           HA       SER  26   7.293  -1.897 -10.582
  184   1HB   SER  26          2HB       SER  26   5.277  -1.402 -12.785
  185   2HB   SER  26          1HB       SER  26   6.905  -0.736 -12.648
  186    HG   SER  26           HG       SER  26   6.197  -3.451 -13.079
  187    H    VAL  27           H        VAL  27   6.713  -0.971  -8.652
  188    HA   VAL  27           HA       VAL  27   4.269   0.667  -8.656
  189    HB   VAL  27           HB       VAL  27   4.062  -1.202  -7.122
  190   1HG1  VAL  27          1HG1      VAL  27   6.419  -1.647  -6.711
  191   2HG1  VAL  27          2HG1      VAL  27   5.538  -1.469  -5.193
  192   3HG1  VAL  27          3HG1      VAL  27   6.551  -0.152  -5.782
  193   1HG2  VAL  27          1HG2      VAL  27   4.498   1.391  -5.650
  194   2HG2  VAL  27          2HG2      VAL  27   3.583   0.007  -5.052
  195   3HG2  VAL  27          3HG2      VAL  27   3.019   0.893  -6.469
  196    H    ASP  28           H        ASP  28   4.416   2.768  -8.171
  197    HA   ASP  28           HA       ASP  28   6.988   3.972  -7.740
  198   1HB   ASP  28          2HB       ASP  28   4.201   5.150  -7.771
  199   2HB   ASP  28          1HB       ASP  28   5.668   6.103  -7.572
  200    H    ALA  29           H        ALA  29   7.928   3.889  -5.838
  201    HA   ALA  29           HA       ALA  29   6.635   3.410  -3.375
  202   1HB   ALA  29          1HB       ALA  29   9.374   4.568  -3.862
  203   2HB   ALA  29          2HB       ALA  29   8.982   2.851  -3.806
  204   3HB   ALA  29          3HB       ALA  29   8.795   3.847  -2.362
  205    H    SER  30           H        SER  30   4.980   5.183  -3.837
  206    HA   SER  30           HA       SER  30   5.407   7.323  -2.023
  207   1HB   SER  30          2HB       SER  30   5.063   9.156  -3.748
  208   2HB   SER  30          1HB       SER  30   6.646   8.377  -3.784
  209    HG   SER  30           HG       SER  30   6.242   7.875  -5.770
  210    H    LEU  31           H        LEU  31   3.562   6.188  -4.817
  211    HA   LEU  31           HA       LEU  31   1.135   7.453  -4.108
  212   1HB   LEU  31          2HB       LEU  31   1.584   5.005  -5.816
  213   2HB   LEU  31          1HB       LEU  31   0.104   5.940  -5.747
  214    HG   LEU  31           HG       LEU  31   2.764   6.959  -6.754
  215   1HD1  LEU  31          1HD1      LEU  31   0.248   6.220  -8.243
  216   2HD1  LEU  31          2HD1      LEU  31   1.748   5.293  -8.233
  217   3HD1  LEU  31          3HD1      LEU  31   1.709   6.905  -8.949
  218   1HD2  LEU  31          1HD2      LEU  31   1.427   8.884  -7.532
  219   2HD2  LEU  31          2HD2      LEU  31   1.467   8.745  -5.775
  220   3HD2  LEU  31          3HD2      LEU  31   0.034   8.236  -6.668
  221    H    THR  32           H        THR  32   2.205   4.074  -3.743
  222    HA   THR  32           HA       THR  32  -0.107   3.598  -2.021
  223    HB   THR  32           HB       THR  32   0.623   1.163  -2.297
  224    HG1  THR  32           1HG      THR  32   2.253   0.770  -3.605
  225   1HG2  THR  32          1HG2      THR  32  -0.505   0.994  -4.444
  226   2HG2  THR  32          2HG2      THR  32  -0.234   2.713  -4.741
  227   3HG2  THR  32          3HG2      THR  32  -1.298   2.204  -3.430
  228    H    ARG  33           H        ARG  33   3.304   4.001  -1.828
  229    HA   ARG  33           HA       ARG  33   3.897   2.332   0.345
  230   1HB   ARG  33          2HB       ARG  33   5.672   3.381  -0.965
  231   2HB   ARG  33          1HB       ARG  33   5.171   4.973  -0.406
  232   1HG   ARG  33          2HG       ARG  33   7.087   4.329   0.849
  233   2HG   ARG  33          1HG       ARG  33   5.690   4.240   1.923
  234   1HD   ARG  33          2HD       ARG  33   6.721   2.253   2.421
  235   2HD   ARG  33          1HD       ARG  33   5.642   1.733   1.126
  236    HE   ARG  33           HE       ARG  33   8.276   2.563   0.261
  237   1HH1  ARG  33          1HH1      ARG  33   6.227  -0.144   1.215
  238   2HH1  ARG  33          2HH1      ARG  33   7.333  -1.342   0.586
  239   1HH2  ARG  33          1HH2      ARG  33   9.713   0.974  -0.534
  240   2HH2  ARG  33          2HH2      ARG  33   9.301  -0.708  -0.398
  241    H    GLY  34           H        GLY  34   3.143   2.361   2.341
  242   1HA   GLY  34          2HA       GLY  34   2.679   3.370   4.420
  243   2HA   GLY  34          1HA       GLY  34   2.559   4.931   3.615
  244    H    LYS  35           H        LYS  35   0.577   5.691   3.299
  245    HA   LYS  35           HA       LYS  35  -1.644   5.916   3.584
  246   1HB   LYS  35          2HB       LYS  35  -1.914   3.361   2.104
  247   2HB   LYS  35          1HB       LYS  35  -2.815   4.844   1.919
  248   1HG   LYS  35          2HG       LYS  35   0.016   4.411   1.035
  249   2HG   LYS  35          1HG       LYS  35  -1.398   4.313  -0.009
  250   1HD   LYS  35          2HD       LYS  35  -0.569   6.760   1.531
  251   2HD   LYS  35          1HD       LYS  35  -0.199   6.474  -0.165
  252   1HE   LYS  35          2HE       LYS  35  -2.986   6.578   0.984
  253   2HE   LYS  35          1HE       LYS  35  -2.174   7.940   0.212
  254   1HZ   LYS  35          1HZ       LYS  35  -2.775   5.348  -1.096
  255   2HZ   LYS  35          2HZ       LYS  35  -2.033   6.681  -1.825
  256   3HZ   LYS  35          3HZ       LYS  35  -3.644   6.784  -1.317
  257    H    GLN  36           H        GLN  36  -3.741   4.319   3.803
  258    HA   GLN  36           HA       GLN  36  -3.147   1.884   5.254
  259   1HB   GLN  36          2HB       GLN  36  -4.949   2.410   6.947
  260   2HB   GLN  36          1HB       GLN  36  -3.437   3.280   7.144
  261   1HG   GLN  36          2HG       GLN  36  -4.387   5.259   6.187
  262   2HG   GLN  36          1HG       GLN  36  -5.885   4.404   5.812
  263   1HE2  GLN  36          1HE2      GLN  36  -3.923   5.773   8.344
  264   2HE2  GLN  36          2HE2      GLN  36  -5.142   5.747   9.576
  265    H    SER  37           H        SER  37  -4.438   0.295   4.585
  266    HA   SER  37           HA       SER  37  -6.902   1.040   3.185
  267   1HB   SER  37          2HB       SER  37  -5.185   0.052   1.679
  268   2HB   SER  37          1HB       SER  37  -5.130  -1.380   2.707
  269    HG   SER  37           HG       SER  37  -7.274  -0.427   1.116
  270    H    ASN  38           H        ASN  38  -8.718  -0.015   3.813
  271    HA   ASN  38           HA       ASN  38  -8.756  -1.066   6.434
  272   1HB   ASN  38          2HB       ASN  38 -10.950  -1.215   4.363
  273   2HB   ASN  38          1HB       ASN  38 -11.140  -1.361   6.107
  274   1HD2  ASN  38          1HD2      ASN  38  -9.055   0.819   6.446
  275   2HD2  ASN  38          2HD2      ASN  38  -9.935   2.282   6.152
  276    H    GLY  39           H        GLY  39  -8.211  -2.532   3.420
  277   1HA   GLY  39          2HA       GLY  39  -7.042  -4.667   3.593
  278   2HA   GLY  39          1HA       GLY  39  -8.233  -5.142   4.796
  279    H    LEU  40           H        LEU  40  -8.324  -7.047   3.275
  280    HA   LEU  40           HA       LEU  40 -10.639  -6.818   1.625
  281   1HB   LEU  40          2HB       LEU  40  -8.826  -6.079   0.073
  282   2HB   LEU  40          1HB       LEU  40  -8.015  -7.609   0.341
  283    HG   LEU  40           HG       LEU  40 -10.019  -8.764  -0.618
  284   1HD1  LEU  40          1HD1      LEU  40 -10.830  -5.965  -1.388
  285   2HD1  LEU  40          2HD1      LEU  40 -11.639  -6.976  -0.192
  286   3HD1  LEU  40          3HD1      LEU  40 -11.622  -7.459  -1.888
  287   1HD2  LEU  40          1HD2      LEU  40  -8.629  -6.755  -2.387
  288   2HD2  LEU  40          2HD2      LEU  40  -9.488  -8.193  -2.939
  289   3HD2  LEU  40          3HD2      LEU  40  -8.032  -8.358  -1.959
  290    H    HIS  41           H        HIS  41 -11.728  -8.727   1.984
  291    HA   HIS  41           HA       HIS  41 -10.095 -11.116   2.509
  292   1HB   HIS  41          2HB       HIS  41 -10.779 -10.073   4.665
  293   2HB   HIS  41          1HB       HIS  41 -12.462 -10.261   4.190
  294    HD1  HIS  41           1HD      HIS  41 -13.557 -12.324   4.997
  295    HD2  HIS  41           2HD      HIS  41  -9.415 -12.720   4.834
  296    HE1  HIS  41           1HE      HIS  41 -13.046 -14.581   5.997
  297    HE2  HIS  41           2HE      HIS  41 -10.528 -14.745   6.007
  298    H    GLY  42           H        GLY  42 -10.612 -12.008   0.568
  299   1HA   GLY  42          2HA       GLY  42 -13.037 -13.538   0.564
  300   2HA   GLY  42          1HA       GLY  42 -13.024 -12.303  -0.691
  301    H    ASP  43           H        ASP  43 -13.198 -14.707  -1.721
  302    HA   ASP  43           HA       ASP  43 -10.531 -15.743  -2.318
  303   1HB   ASP  43          2HB       ASP  43 -13.271 -16.458  -3.427
  304   2HB   ASP  43          1HB       ASP  43 -11.770 -17.274  -3.857
  305    H    TYR  44           H        TYR  44  -9.781 -13.673  -3.081
  306    HA   TYR  44           HA       TYR  44 -10.976 -12.661  -5.548
  307   1HB   TYR  44          2HB       TYR  44  -9.212 -11.510  -3.433
  308   2HB   TYR  44          1HB       TYR  44  -9.134 -10.819  -5.051
  309    HD1  TYR  44           1HD      TYR  44 -11.215 -11.311  -2.079
  310    HD2  TYR  44           2HD      TYR  44 -11.025  -9.559  -5.951
  311    HE1  TYR  44           1HE      TYR  44 -13.208  -9.971  -1.562
  312    HE2  TYR  44           2HE      TYR  44 -13.018  -8.207  -5.441
  313    HH   TYR  44           HH       TYR  44 -14.977  -8.309  -3.918
  314    H    ASP  45           H        ASP  45  -9.869 -12.427  -7.429
  315    HA   ASP  45           HA       ASP  45  -7.509 -14.119  -7.714
  316   1HB   ASP  45          2HB       ASP  45  -9.351 -12.862  -9.757
  317   2HB   ASP  45          1HB       ASP  45  -7.925 -13.806 -10.171
  318    H    VAL  46           H        VAL  46  -6.243 -13.074  -9.834
  319    HA   VAL  46           HA       VAL  46  -4.510 -11.222  -8.762
  320    HB   VAL  46           HB       VAL  46  -5.103 -11.659 -11.691
  321   1HG1  VAL  46          1HG1      VAL  46  -2.801 -10.877 -12.063
  322   2HG1  VAL  46          2HG1      VAL  46  -2.664 -10.498 -10.346
  323   3HG1  VAL  46          3HG1      VAL  46  -3.820  -9.624 -11.352
  324   1HG2  VAL  46          1HG2      VAL  46  -3.103 -12.999  -9.875
  325   2HG2  VAL  46          2HG2      VAL  46  -3.237 -13.247 -11.616
  326   3HG2  VAL  46          3HG2      VAL  46  -4.554 -13.736 -10.552
  327    H    GLU  47           H        GLU  47  -6.708 -10.440 -11.460
  328    HA   GLU  47           HA       GLU  47  -6.182  -7.675 -11.318
  329   1HB   GLU  47          2HB       GLU  47  -8.518  -9.095 -12.600
  330   2HB   GLU  47          1HB       GLU  47  -7.952  -7.472 -12.974
  331   1HG   GLU  47          2HG       GLU  47  -6.027  -8.251 -14.018
  332   2HG   GLU  47          1HG       GLU  47  -6.145  -9.839 -13.262
  333    H    SER  48           H        SER  48  -8.768  -9.651  -9.957
  334    HA   SER  48           HA       SER  48 -10.515  -7.444  -9.457
  335   1HB   SER  48          2HB       SER  48 -11.706  -9.274  -8.064
  336   2HB   SER  48          1HB       SER  48 -11.631  -9.462  -9.816
  337    HG   SER  48           HG       SER  48 -11.011 -11.397  -8.948
  338    H    GLY  49           H        GLY  49  -8.026  -9.120  -7.703
  339   1HA   GLY  49          2HA       GLY  49  -8.898  -8.258  -5.090
  340   2HA   GLY  49          1HA       GLY  49  -7.379  -9.056  -5.476
  341    H    LEU  50           H        LEU  50  -6.529  -7.253  -7.478
  342    HA   LEU  50           HA       LEU  50  -5.276  -5.300  -5.813
  343   1HB   LEU  50          2HB       LEU  50  -5.299  -5.503  -8.821
  344   2HB   LEU  50          1HB       LEU  50  -4.171  -4.581  -7.850
  345    HG   LEU  50           HG       LEU  50  -4.401  -7.588  -7.821
  346   1HD1  LEU  50          1HD1      LEU  50  -2.300  -7.544  -9.067
  347   2HD1  LEU  50          2HD1      LEU  50  -2.382  -5.785  -9.145
  348   3HD1  LEU  50          3HD1      LEU  50  -3.599  -6.763  -9.967
  349   1HD2  LEU  50          1HD2      LEU  50  -2.276  -7.471  -6.595
  350   2HD2  LEU  50          2HD2      LEU  50  -3.582  -6.674  -5.718
  351   3HD2  LEU  50          3HD2      LEU  50  -2.387  -5.710  -6.587
  352    H    GLN  51           H        GLN  51  -7.776  -5.257  -8.315
  353    HA   GLN  51           HA       GLN  51  -8.004  -2.538  -8.736
  354   1HB   GLN  51          2HB       GLN  51  -9.142  -4.416  -9.988
  355   2HB   GLN  51          1HB       GLN  51 -10.323  -4.468  -8.686
  356   1HG   GLN  51          2HG       GLN  51 -10.876  -2.105  -9.148
  357   2HG   GLN  51          1HG       GLN  51  -9.763  -2.149 -10.517
  358   1HE2  GLN  51          1HE2      GLN  51 -12.836  -3.119  -9.291
  359   2HE2  GLN  51          2HE2      GLN  51 -13.471  -3.747 -10.779
  360    H    GLN  52           H        GLN  52  -9.739  -4.548  -6.361
  361    HA   GLN  52           HA       GLN  52 -11.260  -2.421  -5.302
  362   1HB   GLN  52          2HB       GLN  52 -10.463  -5.031  -4.008
  363   2HB   GLN  52          1HB       GLN  52 -11.708  -3.943  -3.411
  364   1HG   GLN  52          2HG       GLN  52 -11.734  -5.412  -6.036
  365   2HG   GLN  52          1HG       GLN  52 -12.696  -5.795  -4.610
  366   1HE2  GLN  52          1HE2      GLN  52 -13.220  -2.994  -3.989
  367   2HE2  GLN  52          2HE2      GLN  52 -14.380  -2.452  -5.148
  368    H    LEU  53           H        LEU  53  -8.136  -3.788  -4.352
  369    HA   LEU  53           HA       LEU  53  -7.743  -2.386  -1.975
  370   1HB   LEU  53          2HB       LEU  53  -5.755  -3.328  -4.029
  371   2HB   LEU  53          1HB       LEU  53  -5.293  -2.663  -2.475
  372    HG   LEU  53           HG       LEU  53  -6.939  -5.160  -2.890
  373   1HD1  LEU  53          1HD1      LEU  53  -4.634  -5.476  -3.571
  374   2HD1  LEU  53          2HD1      LEU  53  -4.945  -6.321  -2.055
  375   3HD1  LEU  53          3HD1      LEU  53  -4.069  -4.791  -2.047
  376   1HD2  LEU  53          1HD2      LEU  53  -7.522  -3.998  -0.827
  377   2HD2  LEU  53          2HD2      LEU  53  -5.820  -3.930  -0.372
  378   3HD2  LEU  53          3HD2      LEU  53  -6.641  -5.487  -0.484
  379    H    LEU  54           H        LEU  54  -7.336  -1.324  -5.295
  380    HA   LEU  54           HA       LEU  54  -6.069   1.155  -4.363
  381   1HB   LEU  54          2HB       LEU  54  -6.323   0.028  -7.150
  382   2HB   LEU  54          1HB       LEU  54  -5.435   1.475  -6.709
  383    HG   LEU  54           HG       LEU  54  -4.776  -1.317  -5.763
  384   1HD1  LEU  54          1HD1      LEU  54  -4.359  -1.034  -8.150
  385   2HD1  LEU  54          2HD1      LEU  54  -2.851  -1.155  -7.244
  386   3HD1  LEU  54          3HD1      LEU  54  -3.413   0.415  -7.817
  387   1HD2  LEU  54          1HD2      LEU  54  -3.326   1.304  -5.410
  388   2HD2  LEU  54          2HD2      LEU  54  -2.698  -0.278  -4.958
  389   3HD2  LEU  54          3HD2      LEU  54  -4.124   0.368  -4.147
  390    H    ASP  55           H        ASP  55  -9.051  -0.033  -5.345
  391    HA   ASP  55           HA       ASP  55 -10.068   2.111  -6.867
  392   1HB   ASP  55          2HB       ASP  55 -11.134  -0.100  -6.817
  393   2HB   ASP  55          1HB       ASP  55 -11.547   0.131  -5.121
  394    H    GLY  56           H        GLY  56 -10.776   4.071  -6.306
  395   1HA   GLY  56          2HA       GLY  56 -12.076   5.508  -4.915
  396   2HA   GLY  56          1HA       GLY  56 -11.664   4.500  -3.541
  397    H    SER  57           H        SER  57  -8.776   4.466  -4.259
  398    HA   SER  57           HA       SER  57  -8.181   7.017  -2.984
  399   1HB   SER  57          2HB       SER  57  -5.892   5.983  -2.680
  400   2HB   SER  57          1HB       SER  57  -7.216   5.132  -1.887
  401    HG   SER  57           HG       SER  57  -6.343   3.495  -2.907
  402    H    GLY  58           H        GLY  58  -8.675   6.402  -6.002
  403   1HA   GLY  58          2HA       GLY  58  -8.056   7.530  -7.911
  404   2HA   GLY  58          1HA       GLY  58  -6.900   8.432  -6.942
  405    H    LEU  59           H        LEU  59  -6.882   4.989  -6.915
  406    HA   LEU  59           HA       LEU  59  -4.453   4.997  -8.570
  407   1HB   LEU  59          2HB       LEU  59  -5.029   3.375  -6.089
  408   2HB   LEU  59          1HB       LEU  59  -3.615   3.193  -7.101
  409    HG   LEU  59           HG       LEU  59  -4.308   5.692  -5.561
  410   1HD1  LEU  59          1HD1      LEU  59  -2.469   5.044  -4.088
  411   2HD1  LEU  59          2HD1      LEU  59  -2.292   3.532  -4.974
  412   3HD1  LEU  59          3HD1      LEU  59  -3.768   3.854  -4.066
  413   1HD2  LEU  59          1HD2      LEU  59  -1.832   4.903  -7.095
  414   2HD2  LEU  59          2HD2      LEU  59  -2.005   6.351  -6.101
  415   3HD2  LEU  59          3HD2      LEU  59  -2.989   6.152  -7.550
  416    H    GLN  60           H        GLN  60  -4.028   2.959  -9.675
  417    HA   GLN  60           HA       GLN  60  -6.057   0.956  -9.711
  418   1HB   GLN  60          2HB       GLN  60  -5.771   2.871 -11.984
  419   2HB   GLN  60          1HB       GLN  60  -6.056   1.174 -12.357
  420   1HG   GLN  60          2HG       GLN  60  -7.798   2.976 -10.692
  421   2HG   GLN  60          1HG       GLN  60  -8.152   2.337 -12.297
  422   1HE2  GLN  60          1HE2      GLN  60  -9.540   2.048  -9.678
  423   2HE2  GLN  60          2HE2      GLN  60  -9.702   0.342  -9.447
  424    H    VAL  61           H        VAL  61  -5.369  -0.754 -11.463
  425    HA   VAL  61           HA       VAL  61  -2.452  -0.811 -11.702
  426    HB   VAL  61           HB       VAL  61  -3.114  -1.986  -9.601
  427   1HG1  VAL  61          1HG1      VAL  61  -5.270  -2.848 -10.285
  428   2HG1  VAL  61          2HG1      VAL  61  -4.224  -4.167  -9.761
  429   3HG1  VAL  61          3HG1      VAL  61  -4.497  -3.888 -11.481
  430   1HG2  VAL  61          1HG2      VAL  61  -1.914  -3.732 -11.743
  431   2HG2  VAL  61          2HG2      VAL  61  -1.794  -4.015 -10.007
  432   3HG2  VAL  61          3HG2      VAL  61  -1.048  -2.586 -10.721
  433    H    LYS  62           H        LYS  62  -1.681  -2.050 -13.412
  434    HA   LYS  62           HA       LYS  62  -3.607  -3.656 -14.903
  435   1HB   LYS  62          2HB       LYS  62  -2.582  -2.799 -17.052
  436   2HB   LYS  62          1HB       LYS  62  -3.620  -1.660 -16.206
  437   1HG   LYS  62          2HG       LYS  62  -1.906  -0.254 -15.705
  438   2HG   LYS  62          1HG       LYS  62  -0.717  -1.553 -15.619
  439   1HD   LYS  62          2HD       LYS  62  -0.319  -0.079 -17.541
  440   2HD   LYS  62          1HD       LYS  62  -0.690  -1.728 -18.040
  441   1HE   LYS  62          2HE       LYS  62  -1.840  -0.159 -19.472
  442   2HE   LYS  62          1HE       LYS  62  -3.012  -1.041 -18.497
  443   1HZ   LYS  62          1HZ       LYS  62  -1.998   1.646 -17.749
  444   2HZ   LYS  62          2HZ       LYS  62  -3.350   0.826 -17.126
  445   3HZ   LYS  62          3HZ       LYS  62  -3.377   1.418 -18.711
  446    HA   PRO  63           HA       PRO  63  -0.164  -6.533 -14.650
  447   1HB   PRO  63          2HB       PRO  63  -1.687  -7.835 -16.842
  448   2HB   PRO  63          1HB       PRO  63  -1.128  -8.513 -15.311
  449   1HG   PRO  63          2HG       PRO  63  -3.709  -7.967 -15.716
  450   2HG   PRO  63          1HG       PRO  63  -2.950  -7.700 -14.134
  451   1HD   PRO  63          2HD       PRO  63  -3.661  -5.721 -16.261
  452   2HD   PRO  63          1HD       PRO  63  -3.789  -5.571 -14.496
  453    H    LEU  64           H        LEU  64   1.699  -6.281 -15.660
  454    HA   LEU  64           HA       LEU  64   2.023  -4.554 -17.841
  455   1HB   LEU  64          2HB       LEU  64   3.688  -5.189 -16.003
  456   2HB   LEU  64          1HB       LEU  64   4.030  -6.620 -16.948
  457    HG   LEU  64           HG       LEU  64   5.658  -4.696 -17.188
  458   1HD1  LEU  64          1HD1      LEU  64   5.947  -4.984 -19.584
  459   2HD1  LEU  64          2HD1      LEU  64   4.323  -5.663 -19.709
  460   3HD1  LEU  64          3HD1      LEU  64   5.571  -6.524 -18.806
  461   1HD2  LEU  64          1HD2      LEU  64   3.369  -3.500 -18.740
  462   2HD2  LEU  64          2HD2      LEU  64   5.022  -2.887 -18.706
  463   3HD2  LEU  64          3HD2      LEU  64   4.047  -2.878 -17.235
  464    H    GLY  65           H        GLY  65   2.184  -8.113 -17.643
  465   1HA   GLY  65          2HA       GLY  65   0.799  -8.807 -19.805
  466   2HA   GLY  65          1HA       GLY  65   2.322  -8.309 -20.530
  467    H    ASN  66           H        ASN  66   4.284  -9.281 -19.326
  468    HA   ASN  66           HA       ASN  66   3.870 -12.153 -19.346
  469   1HB   ASN  66          2HB       ASN  66   5.753 -10.984 -20.588
  470   2HB   ASN  66          1HB       ASN  66   6.489 -10.685 -19.016
  471   1HD2  ASN  66          1HD2      ASN  66   5.592 -13.092 -21.352
  472   2HD2  ASN  66          2HD2      ASN  66   6.586 -14.363 -20.720
  473    H    ASN  67           H        ASN  67   2.655 -12.154 -17.404
  474    HA   ASN  67           HA       ASN  67   2.254 -12.327 -15.180
  475   1HB   ASN  67          2HB       ASN  67   3.707 -13.902 -13.996
  476   2HB   ASN  67          1HB       ASN  67   3.332 -14.453 -15.620
  477   1HD2  ASN  67          1HD2      ASN  67   5.821 -13.186 -13.523
  478   2HD2  ASN  67          2HD2      ASN  67   7.161 -13.650 -14.516
  479    H    SER  68           H        SER  68   3.450  -9.769 -15.727
  480    HA   SER  68           HA       SER  68   4.455  -9.239 -13.023
  481   1HB   SER  68          2HB       SER  68   5.578  -8.024 -15.576
  482   2HB   SER  68          1HB       SER  68   6.087  -7.637 -13.932
  483    HG   SER  68           HG       SER  68   6.277 -10.213 -15.122
  484    H    TRP  69           H        TRP  69   4.468  -6.564 -12.952
  485    HA   TRP  69           HA       TRP  69   1.803  -5.792 -13.892
  486   1HB   TRP  69          2HB       TRP  69   2.612  -5.763 -10.980
  487   2HB   TRP  69          1HB       TRP  69   1.166  -5.014 -11.627
  488    HD1  TRP  69           HD       TRP  69   0.879  -8.006 -13.473
  489    HE1  TRP  69           1HE      TRP  69  -0.370  -9.860 -12.178
  490    HE3  TRP  69           3HE      TRP  69   1.251  -6.097  -8.792
  491    HZ2  TRP  69           2HZ      TRP  69  -1.125 -10.405  -9.523
  492    HZ3  TRP  69           3HZ      TRP  69   0.230  -7.318  -6.908
  493    HH2  TRP  69           HH       TRP  69  -0.933  -9.434  -7.276
  494    H    THR  70           H        THR  70   1.332  -3.507 -13.423
  495    HA   THR  70           HA       THR  70   3.567  -1.859 -12.560
  496    HB   THR  70           HB       THR  70   3.912  -1.778 -14.936
  497    HG1  THR  70           1HG      THR  70   4.217   0.272 -14.405
  498   1HG2  THR  70          1HG2      THR  70   0.984  -1.098 -15.198
  499   2HG2  THR  70          2HG2      THR  70   1.754  -2.607 -15.688
  500   3HG2  THR  70          3HG2      THR  70   2.155  -1.103 -16.514
  501    H    LEU  71           H        LEU  71   2.903   0.140 -11.687
  502    HA   LEU  71           HA       LEU  71   0.123   0.113 -10.806
  503   1HB   LEU  71          2HB       LEU  71   1.950   0.373  -9.153
  504   2HB   LEU  71          1HB       LEU  71   2.439   1.856  -9.948
  505    HG   LEU  71           HG       LEU  71   0.222   2.839  -9.375
  506   1HD1  LEU  71          1HD1      LEU  71  -0.100   0.304  -7.780
  507   2HD1  LEU  71          2HD1      LEU  71  -1.066   0.795  -9.172
  508   3HD1  LEU  71          3HD1      LEU  71  -1.141   1.723  -7.674
  509   1HD2  LEU  71          1HD2      LEU  71   1.844   1.818  -7.048
  510   2HD2  LEU  71          2HD2      LEU  71   0.728   3.182  -7.010
  511   3HD2  LEU  71          3HD2      LEU  71   2.189   3.265  -7.995
  512    H    GLU  72           H        GLU  72  -1.210   1.030 -12.158
  513    HA   GLU  72           HA       GLU  72  -0.385   3.303 -13.791
  514   1HB   GLU  72          2HB       GLU  72  -1.509   1.357 -14.833
  515   2HB   GLU  72          1HB       GLU  72  -2.925   1.662 -13.839
  516   1HG   GLU  72          2HG       GLU  72  -3.366   2.533 -15.993
  517   2HG   GLU  72          1HG       GLU  72  -3.100   3.904 -14.917
  518    HA   PRO  73           HA       PRO  73  -2.703   5.972 -10.972
  519   1HB   PRO  73          2HB       PRO  73  -1.870   8.089 -12.828
  520   2HB   PRO  73          1HB       PRO  73  -1.524   7.914 -11.105
  521   1HG   PRO  73          2HG       PRO  73   0.374   7.599 -13.002
  522   2HG   PRO  73          1HG       PRO  73   0.390   6.698 -11.474
  523   1HD   PRO  73          2HD       PRO  73  -0.471   5.800 -14.198
  524   2HD   PRO  73          1HD       PRO  73   0.435   4.916 -12.952
  525    H    ALA  74           H        ALA  74  -4.829   5.804 -11.302
  526    HA   ALA  74           HA       ALA  74  -6.056   7.091 -13.579
  527   1HB   ALA  74          1HB       ALA  74  -6.447   4.132 -13.115
  528   2HB   ALA  74          2HB       ALA  74  -5.595   4.863 -14.477
  529   3HB   ALA  74          3HB       ALA  74  -7.329   5.122 -14.278
  530    HA   PRO  75           HA       PRO  75  -8.325   7.351  -9.631
  531   1HB   PRO  75          2HB       PRO  75  -8.692  10.163 -10.168
  532   2HB   PRO  75          1HB       PRO  75  -7.739   9.406  -8.890
  533   1HG   PRO  75          2HG       PRO  75  -6.665  10.799 -11.003
  534   2HG   PRO  75          1HG       PRO  75  -5.801   9.556 -10.084
  535   1HD   PRO  75          2HD       PRO  75  -7.145   9.357 -12.751
  536   2HD   PRO  75          1HD       PRO  75  -5.633   8.613 -12.184
  537    H    ALA  76           H        ALA  76  -9.353   9.831 -11.928
  538    HA   ALA  76           HA       ALA  76 -11.753   8.308 -12.614
  539   1HB   ALA  76          1HB       ALA  76 -12.415   9.785 -10.756
  540   2HB   ALA  76          2HB       ALA  76 -13.203  10.242 -12.265
  541   3HB   ALA  76          3HB       ALA  76 -11.833  11.180 -11.669
  542    HA   PRO  77           HA       PRO  77  -9.488  10.705 -15.859
  543   1HB   PRO  77          2HB       PRO  77  -7.881   8.820 -16.867
  544   2HB   PRO  77          1HB       PRO  77  -7.557   9.575 -15.300
  545   1HG   PRO  77          2HG       PRO  77  -8.486   6.847 -15.895
  546   2HG   PRO  77          1HG       PRO  77  -7.670   7.479 -14.453
  547   1HD   PRO  77          2HD       PRO  77 -10.505   7.047 -14.888
  548   2HD   PRO  77          1HD       PRO  77  -9.672   7.535 -13.398
  549    H    LYS  78           H        LYS  78  -9.955  11.031 -17.954
  550    HA   LYS  78           HA       LYS  78 -10.754  10.805 -20.047
  551   1HB   LYS  78          2HB       LYS  78 -10.611   7.856 -19.435
  552   2HB   LYS  78          1HB       LYS  78 -11.024   8.514 -21.013
  553   1HG   LYS  78          2HG       LYS  78  -8.851   9.604 -21.145
  554   2HG   LYS  78          1HG       LYS  78  -8.434   8.982 -19.547
  555   1HD   LYS  78          2HD       LYS  78  -8.567   6.706 -20.370
  556   2HD   LYS  78          1HD       LYS  78  -9.088   7.287 -21.953
  557   1HE   LYS  78          2HE       LYS  78  -6.430   7.831 -20.636
  558   2HE   LYS  78          1HE       LYS  78  -6.719   6.709 -21.963
  559   1HZ   LYS  78          1HZ       LYS  78  -5.848   8.730 -22.842
  560   2HZ   LYS  78          2HZ       LYS  78  -7.007   9.662 -22.031
  561   3HZ   LYS  78          3HZ       LYS  78  -7.482   8.637 -23.296
  562    H    GLU  79           H        GLU  79 -12.664  11.574 -20.425
  563    HA   GLU  79           HA       GLU  79 -14.996   9.898 -19.790
  564   1HB   GLU  79          2HB       GLU  79 -14.888  11.851 -18.237
  565   2HB   GLU  79          1HB       GLU  79 -14.951  12.920 -19.633
  566   1HG   GLU  79          2HG       GLU  79 -17.139  12.035 -20.227
  567   2HG   GLU  79          1HG       GLU  79 -17.085  10.950 -18.839
  568    H    ASP  80           H        ASP  80 -14.102  12.834 -21.589
  569    HA   ASP  80           HA       ASP  80 -14.909  11.594 -24.079
  570   1HB   ASP  80          2HB       ASP  80 -17.016  12.550 -23.277
  571   2HB   ASP  80          1HB       ASP  80 -16.238  14.112 -23.050
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1  -4.977 -18.397  -3.082
    2   2H    ALA   1          2HT       ALA   1  -4.501 -19.978  -3.470
    3   3H    ALA   1          3HT       ALA   1  -3.850 -19.207  -2.106
    4    HA   ALA   1           HA       ALA   1  -6.676 -20.000  -2.498
    5   1HB   ALA   1          1HB       ALA   1  -6.265 -21.595  -0.693
    6   2HB   ALA   1          2HB       ALA   1  -4.576 -21.090  -0.622
    7   3HB   ALA   1          3HB       ALA   1  -5.195 -21.897  -2.062
    8    H    GLN   2           H        GLN   2  -7.790 -18.306  -1.810
    9    HA   GLN   2           HA       GLN   2  -8.663 -16.714  -0.484
   10   1HB   GLN   2          2HB       GLN   2  -7.178 -18.243   1.635
   11   2HB   GLN   2          1HB       GLN   2  -8.154 -16.827   2.004
   12   1HG   GLN   2          2HG       GLN   2 -10.115 -17.940   1.048
   13   2HG   GLN   2          1HG       GLN   2  -9.133 -19.365   0.713
   14   1HE2  GLN   2          1HE2      GLN   2 -10.436 -20.648   2.013
   15   2HE2  GLN   2          2HE2      GLN   2 -10.380 -20.560   3.746
   16    H    VAL   3           H        VAL   3  -8.275 -14.676   0.319
   17    HA   VAL   3           HA       VAL   3  -5.464 -13.830   0.490
   18    HB   VAL   3           HB       VAL   3  -7.659 -12.310  -0.946
   19   1HG1  VAL   3          1HG1      VAL   3  -5.908 -10.727  -1.559
   20   2HG1  VAL   3          2HG1      VAL   3  -4.734 -11.652  -0.621
   21   3HG1  VAL   3          3HG1      VAL   3  -6.071 -10.843   0.195
   22   1HG2  VAL   3          1HG2      VAL   3  -5.214 -13.671  -2.077
   23   2HG2  VAL   3          2HG2      VAL   3  -6.379 -12.708  -2.986
   24   3HG2  VAL   3          3HG2      VAL   3  -6.876 -14.229  -2.248
   25    H    ASN   4           H        ASN   4  -5.055 -12.481   2.197
   26    HA   ASN   4           HA       ASN   4  -7.334 -11.359   3.597
   27   1HB   ASN   4          2HB       ASN   4  -6.560 -12.086   5.779
   28   2HB   ASN   4          1HB       ASN   4  -6.815 -13.493   4.757
   29   1HD2  ASN   4          1HD2      ASN   4  -4.542 -11.595   6.501
   30   2HD2  ASN   4          2HD2      ASN   4  -3.181 -12.647   6.301
   31    H    ILE   5           H        ILE   5  -7.006  -9.302   3.904
   32    HA   ILE   5           HA       ILE   5  -4.228  -8.303   3.896
   33    HB   ILE   5           HB       ILE   5  -6.666  -6.800   2.914
   34   1HG1  ILE   5          2HG1      ILE   5  -6.108  -8.712   1.441
   35   2HG1  ILE   5          1HG1      ILE   5  -5.813  -7.164   0.656
   36   1HG2  ILE   5          1HG2      ILE   5  -4.871  -5.372   3.776
   37   2HG2  ILE   5          2HG2      ILE   5  -5.042  -5.204   2.027
   38   3HG2  ILE   5          3HG2      ILE   5  -3.721  -6.167   2.696
   39   1HD1  ILE   5          1HD1      ILE   5  -3.728  -8.942   1.895
   40   2HD1  ILE   5          2HD1      ILE   5  -3.429  -7.389   1.112
   41   3HD1  ILE   5          3HD1      ILE   5  -4.043  -8.745   0.172
   42    H    ALA   6           H        ALA   6  -3.595  -7.138   5.603
   43    HA   ALA   6           HA       ALA   6  -5.336  -6.780   7.855
   44   1HB   ALA   6          1HB       ALA   6  -2.984  -7.351   8.175
   45   2HB   ALA   6          2HB       ALA   6  -3.336  -5.785   8.906
   46   3HB   ALA   6          3HB       ALA   6  -2.496  -5.868   7.358
   47    HA   PRO   7           HA       PRO   7  -6.646  -2.627   6.961
   48   1HB   PRO   7          2HB       PRO   7  -6.518  -1.903   9.781
   49   2HB   PRO   7          1HB       PRO   7  -7.934  -2.168   8.765
   50   1HG   PRO   7          2HG       PRO   7  -7.236  -3.852  10.767
   51   2HG   PRO   7          1HG       PRO   7  -8.063  -4.399   9.296
   52   1HD   PRO   7          2HD       PRO   7  -5.156  -4.565  10.007
   53   2HD   PRO   7          1HD       PRO   7  -6.197  -5.780   9.233
   54    H    GLY   8           H        GLY   8  -3.784  -2.982   6.802
   55   1HA   GLY   8          2HA       GLY   8  -2.826  -0.459   7.988
   56   2HA   GLY   8          1HA       GLY   8  -1.809  -1.854   7.677
   57    H    SER   9           H        SER   9  -0.429  -0.314   6.624
   58    HA   SER   9           HA       SER   9  -1.126   1.319   4.491
   59   1HB   SER   9          2HB       SER   9   1.529  -0.082   4.869
   60   2HB   SER   9          1HB       SER   9   1.237   1.415   3.985
   61    HG   SER   9           HG       SER   9   1.862   1.173   6.514
   62    H    LEU  10           H        LEU  10  -1.420   1.061   2.371
   63    HA   LEU  10           HA       LEU  10  -2.266  -1.407   1.378
   64   1HB   LEU  10          2HB       LEU  10  -3.076   0.756   0.566
   65   2HB   LEU  10          1HB       LEU  10  -1.488   1.126  -0.074
   66    HG   LEU  10           HG       LEU  10  -1.725  -0.777  -1.656
   67   1HD1  LEU  10          1HD1      LEU  10  -3.319  -2.110  -0.375
   68   2HD1  LEU  10          2HD1      LEU  10  -3.925  -1.767  -1.994
   69   3HD1  LEU  10          3HD1      LEU  10  -4.550  -0.870  -0.609
   70   1HD2  LEU  10          1HD2      LEU  10  -3.349   0.343  -3.117
   71   2HD2  LEU  10          2HD2      LEU  10  -2.236   1.484  -2.364
   72   3HD2  LEU  10          3HD2      LEU  10  -3.882   1.327  -1.752
   73    H    ASP  11           H        ASP  11   0.827   0.228   1.242
   74    HA   ASP  11           HA       ASP  11   2.228  -1.059  -0.690
   75   1HB   ASP  11          2HB       ASP  11   3.298  -0.773   2.125
   76   2HB   ASP  11          1HB       ASP  11   4.228  -0.801   0.634
   77    H    LYS  12           H        LYS  12   1.512  -2.338   2.536
   78    HA   LYS  12           HA       LYS  12   2.937  -4.754   2.187
   79   1HB   LYS  12          2HB       LYS  12   0.766  -3.995   4.138
   80   2HB   LYS  12          1HB       LYS  12   1.699  -5.485   4.220
   81   1HG   LYS  12          2HG       LYS  12   3.759  -4.149   4.434
   82   2HG   LYS  12          1HG       LYS  12   2.776  -2.683   4.445
   83   1HD   LYS  12          2HD       LYS  12   1.709  -3.341   6.489
   84   2HD   LYS  12          1HD       LYS  12   2.475  -4.931   6.430
   85   1HE   LYS  12          2HE       LYS  12   3.897  -2.287   6.743
   86   2HE   LYS  12          1HE       LYS  12   3.614  -3.466   8.023
   87   1HZ   LYS  12          1HZ       LYS  12   4.939  -5.066   6.706
   88   2HZ   LYS  12          2HZ       LYS  12   5.835  -3.716   7.204
   89   3HZ   LYS  12          3HZ       LYS  12   5.300  -3.835   5.601
   90    H    ALA  13           H        ALA  13  -0.227  -3.743   1.194
   91    HA   ALA  13           HA       ALA  13  -1.458  -6.298   1.120
   92   1HB   ALA  13          1HB       ALA  13  -2.757  -4.217   1.078
   93   2HB   ALA  13          2HB       ALA  13  -3.132  -5.248  -0.304
   94   3HB   ALA  13          3HB       ALA  13  -2.091  -3.842  -0.513
   95    H    LEU  14           H        LEU  14  -0.384  -4.272  -1.646
   96    HA   LEU  14           HA       LEU  14  -0.231  -6.311  -3.482
   97   1HB   LEU  14          2HB       LEU  14   1.497  -3.859  -3.397
   98   2HB   LEU  14          1HB       LEU  14   1.195  -4.854  -4.806
   99    HG   LEU  14           HG       LEU  14  -1.298  -4.256  -4.223
  100   1HD1  LEU  14          1HD1      LEU  14  -0.774  -3.094  -2.210
  101   2HD1  LEU  14          2HD1      LEU  14  -1.526  -2.007  -3.382
  102   3HD1  LEU  14          3HD1      LEU  14   0.215  -1.942  -3.107
  103   1HD2  LEU  14          1HD2      LEU  14  -0.212  -3.769  -6.348
  104   2HD2  LEU  14          2HD2      LEU  14   0.595  -2.378  -5.624
  105   3HD2  LEU  14          3HD2      LEU  14  -1.158  -2.381  -5.807
  106    H    ASN  15           H        ASN  15   2.150  -5.248  -1.117
  107    HA   ASN  15           HA       ASN  15   4.363  -6.700  -2.066
  108   1HB   ASN  15          2HB       ASN  15   4.510  -4.966  -0.297
  109   2HB   ASN  15          1HB       ASN  15   3.651  -6.038   0.804
  110   1HD2  ASN  15          1HD2      ASN  15   6.644  -5.337  -0.752
  111   2HD2  ASN  15          2HD2      ASN  15   7.609  -6.496   0.096
  112    H    GLN  16           H        GLN  16   1.835  -7.545   0.268
  113    HA   GLN  16           HA       GLN  16   2.707 -10.164   0.785
  114   1HB   GLN  16          2HB       GLN  16   1.101  -8.930   2.204
  115   2HB   GLN  16          1HB       GLN  16  -0.097  -9.028   0.925
  116   1HG   GLN  16          2HG       GLN  16   1.092 -11.528   2.046
  117   2HG   GLN  16          1HG       GLN  16  -0.178 -10.681   2.925
  118   1HE2  GLN  16          1HE2      GLN  16  -1.495  -9.768   0.487
  119   2HE2  GLN  16          2HE2      GLN  16  -2.293 -11.150  -0.175
  120    H    TYR  17           H        TYR  17   0.485  -8.840  -1.691
  121    HA   TYR  17           HA       TYR  17  -0.371 -11.400  -2.589
  122   1HB   TYR  17          2HB       TYR  17  -1.463  -9.043  -2.939
  123   2HB   TYR  17          1HB       TYR  17  -0.398  -8.961  -4.342
  124    HD1  TYR  17           1HD      TYR  17  -0.789 -10.390  -6.289
  125    HD2  TYR  17           2HD      TYR  17  -3.280 -10.654  -2.839
  126    HE1  TYR  17           1HE      TYR  17  -2.414 -11.729  -7.559
  127    HE2  TYR  17           2HE      TYR  17  -4.900 -11.988  -4.105
  128    HH   TYR  17           HH       TYR  17  -5.550 -12.338  -6.465
  129    H    ALA  18           H        ALA  18   2.102  -9.084  -3.654
  130    HA   ALA  18           HA       ALA  18   3.068 -10.388  -5.881
  131   1HB   ALA  18          1HB       ALA  18   5.168  -9.246  -5.493
  132   2HB   ALA  18          2HB       ALA  18   4.721  -8.946  -3.813
  133   3HB   ALA  18          3HB       ALA  18   3.819  -8.173  -5.118
  134    H    ALA  19           H        ALA  19   3.896 -10.975  -2.495
  135    HA   ALA  19           HA       ALA  19   5.933 -12.853  -2.927
  136   1HB   ALA  19          1HB       ALA  19   4.073 -12.634  -0.568
  137   2HB   ALA  19          2HB       ALA  19   5.566 -11.719  -0.792
  138   3HB   ALA  19          3HB       ALA  19   5.625 -13.472  -0.599
  139    H    HIS  20           H        HIS  20   2.542 -13.150  -3.294
  140    HA   HIS  20           HA       HIS  20   2.124 -15.842  -2.705
  141   1HB   HIS  20          2HB       HIS  20   0.273 -14.344  -3.048
  142   2HB   HIS  20          1HB       HIS  20   0.779 -14.008  -4.694
  143    HD1  HIS  20           1HD      HIS  20  -0.529 -16.941  -2.644
  144    HD2  HIS  20           2HD      HIS  20  -0.508 -15.500  -6.548
  145    HE1  HIS  20           1HE      HIS  20  -2.049 -18.466  -3.943
  146    HE2  HIS  20           2HE      HIS  20  -2.161 -17.469  -6.257
  147    H    SER  21           H        SER  21   2.876 -14.384  -5.911
  148    HA   SER  21           HA       SER  21   3.652 -17.094  -6.755
  149   1HB   SER  21          2HB       SER  21   1.683 -16.164  -7.947
  150   2HB   SER  21          1HB       SER  21   2.686 -14.829  -8.516
  151    HG   SER  21           HG       SER  21   3.140 -17.590  -9.036
  152    H    GLY  22           H        GLY  22   4.812 -14.005  -6.094
  153   1HA   GLY  22          2HA       GLY  22   6.972 -13.207  -6.147
  154   2HA   GLY  22          1HA       GLY  22   7.470 -14.718  -6.891
  155    H    PHE  23           H        PHE  23   5.262 -12.118  -7.900
  156    HA   PHE  23           HA       PHE  23   6.648 -12.082 -10.486
  157   1HB   PHE  23          2HB       PHE  23   4.485 -10.741 -11.117
  158   2HB   PHE  23          1HB       PHE  23   4.430 -12.497 -11.014
  159    HD1  PHE  23           1HD      PHE  23   2.799 -13.500  -9.750
  160    HD2  PHE  23           2HD      PHE  23   3.865  -9.465  -8.933
  161    HE1  PHE  23           1HE      PHE  23   0.982 -13.359  -8.100
  162    HE2  PHE  23           2HE      PHE  23   2.055  -9.318  -7.284
  163    HZ   PHE  23           HZ       PHE  23   0.610 -11.265  -6.864
  164    H    THR  24           H        THR  24   6.922  -9.981 -11.513
  165    HA   THR  24           HA       THR  24   7.876  -8.069  -9.534
  166    HB   THR  24           HB       THR  24   8.304  -8.084 -12.526
  167    HG1  THR  24           1HG      THR  24   9.242  -9.750 -10.707
  168   1HG2  THR  24          1HG2      THR  24   9.714  -6.606 -10.299
  169   2HG2  THR  24          2HG2      THR  24   8.680  -5.892 -11.536
  170   3HG2  THR  24          3HG2      THR  24  10.220  -6.622 -11.988
  171    H    LEU  25           H        LEU  25   6.197  -6.809  -8.861
  172    HA   LEU  25           HA       LEU  25   4.712  -5.369 -10.928
  173   1HB   LEU  25          2HB       LEU  25   3.097  -4.736  -9.332
  174   2HB   LEU  25          1HB       LEU  25   3.388  -6.443  -9.143
  175    HG   LEU  25           HG       LEU  25   3.064  -5.626  -6.995
  176   1HD1  LEU  25          1HD1      LEU  25   4.982  -7.104  -7.138
  177   2HD1  LEU  25          2HD1      LEU  25   5.116  -5.955  -5.808
  178   3HD1  LEU  25          3HD1      LEU  25   6.044  -5.700  -7.285
  179   1HD2  LEU  25          1HD2      LEU  25   4.942  -3.363  -7.620
  180   2HD2  LEU  25          2HD2      LEU  25   4.235  -3.689  -6.037
  181   3HD2  LEU  25          3HD2      LEU  25   3.193  -3.264  -7.396
  182    H    SER  26           H        SER  26   4.556  -3.075 -10.876
  183    HA   SER  26           HA       SER  26   7.025  -1.853  -9.833
  184   1HB   SER  26          2HB       SER  26   5.287  -0.946 -12.143
  185   2HB   SER  26          1HB       SER  26   6.792  -0.187 -11.625
  186    HG   SER  26           HG       SER  26   6.608  -2.896 -12.448
  187    H    VAL  27           H        VAL  27   6.523  -0.960  -7.910
  188    HA   VAL  27           HA       VAL  27   4.240   0.907  -7.874
  189    HB   VAL  27           HB       VAL  27   3.810  -1.079  -6.467
  190   1HG1  VAL  27          1HG1      VAL  27   5.083  -1.451  -4.419
  191   2HG1  VAL  27          2HG1      VAL  27   6.194  -0.156  -4.868
  192   3HG1  VAL  27          3HG1      VAL  27   6.105  -1.621  -5.848
  193   1HG2  VAL  27          1HG2      VAL  27   4.195   1.490  -4.936
  194   2HG2  VAL  27          2HG2      VAL  27   3.211   0.127  -4.403
  195   3HG2  VAL  27          3HG2      VAL  27   2.770   1.018  -5.860
  196    H    ASP  28           H        ASP  28   4.575   2.909  -6.931
  197    HA   ASP  28           HA       ASP  28   7.371   3.585  -6.408
  198   1HB   ASP  28          2HB       ASP  28   6.287   5.025  -8.027
  199   2HB   ASP  28          1HB       ASP  28   4.977   5.367  -6.897
  200    H    ALA  29           H        ALA  29   7.955   3.320  -4.407
  201    HA   ALA  29           HA       ALA  29   6.280   3.356  -2.133
  202   1HB   ALA  29          1HB       ALA  29   9.274   3.652  -2.286
  203   2HB   ALA  29          2HB       ALA  29   8.390   2.127  -2.245
  204   3HB   ALA  29          3HB       ALA  29   8.339   3.212  -0.856
  205    H    SER  30           H        SER  30   5.391   5.578  -3.033
  206    HA   SER  30           HA       SER  30   6.069   7.565  -1.104
  207   1HB   SER  30          2HB       SER  30   6.756   8.125  -4.007
  208   2HB   SER  30          1HB       SER  30   6.626   9.368  -2.768
  209    HG   SER  30           HG       SER  30   8.248   7.340  -1.978
  210    H    LEU  31           H        LEU  31   4.453   6.723  -4.124
  211    HA   LEU  31           HA       LEU  31   2.349   8.608  -3.900
  212   1HB   LEU  31          2HB       LEU  31   2.414   5.927  -5.295
  213   2HB   LEU  31          1HB       LEU  31   1.155   7.129  -5.500
  214    HG   LEU  31           HG       LEU  31   4.051   7.437  -6.287
  215   1HD1  LEU  31          1HD1      LEU  31   2.826   5.943  -7.753
  216   2HD1  LEU  31          2HD1      LEU  31   3.153   7.472  -8.569
  217   3HD1  LEU  31          3HD1      LEU  31   1.542   7.140  -7.934
  218   1HD2  LEU  31          1HD2      LEU  31   3.348   9.557  -7.282
  219   2HD2  LEU  31          2HD2      LEU  31   3.113   9.553  -5.534
  220   3HD2  LEU  31          3HD2      LEU  31   1.733   9.339  -6.609
  221    H    THR  32           H        THR  32   2.963   5.500  -2.511
  222    HA   THR  32           HA       THR  32   0.275   5.336  -1.384
  223    HB   THR  32           HB       THR  32   1.265   3.116  -0.480
  224    HG1  THR  32           1HG      THR  32   3.243   2.656  -1.091
  225   1HG2  THR  32          1HG2      THR  32   0.899   3.542  -3.451
  226   2HG2  THR  32          2HG2      THR  32  -0.384   3.230  -2.284
  227   3HG2  THR  32          3HG2      THR  32   0.821   1.989  -2.620
  228    H    ARG  33           H        ARG  33   2.561   7.230  -0.559
  229    HA   ARG  33           HA       ARG  33   3.490   6.444   1.988
  230   1HB   ARG  33          2HB       ARG  33   4.509   8.269   0.671
  231   2HB   ARG  33          1HB       ARG  33   3.062   9.238   0.914
  232   1HG   ARG  33          2HG       ARG  33   3.523   8.997   3.410
  233   2HG   ARG  33          1HG       ARG  33   5.118   8.411   2.934
  234   1HD   ARG  33          2HD       ARG  33   5.191  10.794   3.394
  235   2HD   ARG  33          1HD       ARG  33   5.494  10.486   1.684
  236    HE   ARG  33           HE       ARG  33   2.737  10.963   2.131
  237   1HH1  ARG  33          1HH1      ARG  33   5.812  12.620   1.919
  238   2HH1  ARG  33          2HH1      ARG  33   5.104  14.139   1.444
  239   1HH2  ARG  33          1HH2      ARG  33   1.800  12.918   1.510
  240   2HH2  ARG  33          2HH2      ARG  33   2.799  14.309   1.196
  241    H    GLY  34           H        GLY  34   2.144   5.909   3.596
  242   1HA   GLY  34          2HA       GLY  34   0.679   6.343   5.343
  243   2HA   GLY  34          1HA       GLY  34   0.311   7.899   4.611
  244    H    LYS  35           H        LYS  35   0.078   5.426   2.363
  245    HA   LYS  35           HA       LYS  35  -2.813   5.658   2.349
  246   1HB   LYS  35          2HB       LYS  35  -1.274   5.737   0.281
  247   2HB   LYS  35          1HB       LYS  35  -1.147   3.993   0.468
  248   1HG   LYS  35          2HG       LYS  35  -2.834   4.408  -1.141
  249   2HG   LYS  35          1HG       LYS  35  -3.650   3.899   0.341
  250   1HD   LYS  35          2HD       LYS  35  -3.989   6.298   0.901
  251   2HD   LYS  35          1HD       LYS  35  -3.324   6.716  -0.677
  252   1HE   LYS  35          2HE       LYS  35  -5.116   5.422  -1.753
  253   2HE   LYS  35          1HE       LYS  35  -5.789   5.055  -0.162
  254   1HZ   LYS  35          1HZ       LYS  35  -5.578   7.712  -1.460
  255   2HZ   LYS  35          2HZ       LYS  35  -5.998   7.505   0.171
  256   3HZ   LYS  35          3HZ       LYS  35  -6.993   6.874  -1.045
  257    H    GLN  36           H        GLN  36  -3.890   4.349   3.709
  258    HA   GLN  36           HA       GLN  36  -2.878   1.606   4.088
  259   1HB   GLN  36          2HB       GLN  36  -4.644   3.266   5.896
  260   2HB   GLN  36          1HB       GLN  36  -4.143   1.610   6.206
  261   1HG   GLN  36          2HG       GLN  36  -1.789   2.375   6.237
  262   2HG   GLN  36          1HG       GLN  36  -2.364   4.031   6.054
  263   1HE2  GLN  36          1HE2      GLN  36  -3.392   5.040   7.765
  264   2HE2  GLN  36          2HE2      GLN  36  -3.353   4.404   9.377
  265    H    SER  37           H        SER  37  -4.522  -0.118   4.269
  266    HA   SER  37           HA       SER  37  -7.097   0.619   3.104
  267   1HB   SER  37          2HB       SER  37  -5.485  -0.607   1.498
  268   2HB   SER  37          1HB       SER  37  -5.715  -2.005   2.544
  269    HG   SER  37           HG       SER  37  -7.218  -1.402   0.568
  270    H    ASN  38           H        ASN  38  -8.765  -0.072   4.311
  271    HA   ASN  38           HA       ASN  38  -8.217  -0.990   6.912
  272   1HB   ASN  38          2HB       ASN  38 -10.888  -0.930   5.507
  273   2HB   ASN  38          1HB       ASN  38 -10.630  -1.043   7.245
  274   1HD2  ASN  38          1HD2      ASN  38  -8.262   0.874   6.865
  275   2HD2  ASN  38          2HD2      ASN  38  -9.023   2.429   6.788
  276    H    GLY  39           H        GLY  39  -8.552  -2.789   4.070
  277   1HA   GLY  39          2HA       GLY  39  -7.440  -5.008   4.626
  278   2HA   GLY  39          1HA       GLY  39  -8.793  -5.219   5.724
  279    H    LEU  40           H        LEU  40  -8.556  -7.216   4.099
  280    HA   LEU  40           HA       LEU  40 -10.826  -7.108   2.403
  281   1HB   LEU  40          2HB       LEU  40  -9.109  -6.169   0.874
  282   2HB   LEU  40          1HB       LEU  40  -8.105  -7.580   1.147
  283    HG   LEU  40           HG       LEU  40  -9.905  -8.985   0.133
  284   1HD1  LEU  40          1HD1      LEU  40 -11.648  -7.881  -1.168
  285   2HD1  LEU  40          2HD1      LEU  40 -11.100  -6.311  -0.584
  286   3HD1  LEU  40          3HD1      LEU  40 -11.784  -7.481   0.544
  287   1HD2  LEU  40          1HD2      LEU  40  -8.789  -6.775  -1.589
  288   2HD2  LEU  40          2HD2      LEU  40  -9.422  -8.312  -2.173
  289   3HD2  LEU  40          3HD2      LEU  40  -7.974  -8.280  -1.169
  290    H    HIS  41           H        HIS  41 -11.747  -9.122   2.689
  291    HA   HIS  41           HA       HIS  41  -9.914 -11.362   3.219
  292   1HB   HIS  41          2HB       HIS  41 -12.302 -10.612   4.915
  293   2HB   HIS  41          1HB       HIS  41 -11.433 -12.138   5.050
  294    HD1  HIS  41           1HD      HIS  41 -11.477  -8.764   6.377
  295    HD2  HIS  41           2HD      HIS  41  -8.596 -11.710   5.775
  296    HE1  HIS  41           1HE      HIS  41  -9.522  -8.114   7.819
  297    HE2  HIS  41           2HE      HIS  41  -7.748  -9.843   7.352
  298    H    GLY  42           H        GLY  42 -10.287 -12.353   1.329
  299   1HA   GLY  42          2HA       GLY  42 -12.556 -14.073   1.246
  300   2HA   GLY  42          1HA       GLY  42 -12.656 -12.841  -0.008
  301    H    ASP  43           H        ASP  43 -12.433 -15.562  -0.678
  302    HA   ASP  43           HA       ASP  43  -9.717 -15.962  -1.558
  303   1HB   ASP  43          2HB       ASP  43 -11.241 -17.893  -1.230
  304   2HB   ASP  43          1HB       ASP  43 -12.244 -17.307  -2.554
  305    H    TYR  44           H        TYR  44  -8.946 -14.420  -2.839
  306    HA   TYR  44           HA       TYR  44 -10.644 -13.481  -5.050
  307   1HB   TYR  44          2HB       TYR  44  -8.733 -12.017  -3.262
  308   2HB   TYR  44          1HB       TYR  44  -9.113 -11.388  -4.863
  309    HD1  TYR  44           1HD      TYR  44 -10.133 -11.541  -1.449
  310    HD2  TYR  44           2HD      TYR  44 -11.609 -11.070  -5.412
  311    HE1  TYR  44           1HE      TYR  44 -12.203 -10.552  -0.559
  312    HE2  TYR  44           2HE      TYR  44 -13.674 -10.075  -4.533
  313    HH   TYR  44           HH       TYR  44 -14.982 -10.168  -2.412
  314    H    ASP  45           H        ASP  45  -9.818 -13.336  -7.055
  315    HA   ASP  45           HA       ASP  45  -7.210 -14.557  -7.508
  316   1HB   ASP  45          2HB       ASP  45  -9.400 -15.088  -8.832
  317   2HB   ASP  45          1HB       ASP  45  -9.033 -13.597  -9.697
  318    H    VAL  46           H        VAL  46  -6.300 -13.325  -9.756
  319    HA   VAL  46           HA       VAL  46  -4.843 -11.213  -8.715
  320    HB   VAL  46           HB       VAL  46  -5.481 -11.472 -11.647
  321   1HG1  VAL  46          1HG1      VAL  46  -3.029 -10.486 -10.195
  322   2HG1  VAL  46          2HG1      VAL  46  -4.229  -9.487 -11.019
  323   3HG1  VAL  46          3HG1      VAL  46  -3.219 -10.597 -11.945
  324   1HG2  VAL  46          1HG2      VAL  46  -4.898 -13.674 -10.810
  325   2HG2  VAL  46          2HG2      VAL  46  -3.427 -13.024 -10.082
  326   3HG2  VAL  46          3HG2      VAL  46  -3.622 -13.027 -11.836
  327    H    GLU  47           H        GLU  47  -7.244 -10.842 -11.311
  328    HA   GLU  47           HA       GLU  47  -7.278  -8.091 -11.327
  329   1HB   GLU  47          2HB       GLU  47  -8.210  -9.858 -12.962
  330   2HB   GLU  47          1HB       GLU  47  -9.675  -9.761 -11.997
  331   1HG   GLU  47          2HG       GLU  47  -9.997  -8.321 -13.798
  332   2HG   GLU  47          1HG       GLU  47  -9.636  -7.285 -12.420
  333    H    SER  48           H        SER  48  -9.459 -10.302  -9.578
  334    HA   SER  48           HA       SER  48 -11.285  -8.221  -8.876
  335   1HB   SER  48          2HB       SER  48 -11.747 -10.745  -9.204
  336   2HB   SER  48          1HB       SER  48 -11.133 -10.929  -7.561
  337    HG   SER  48           HG       SER  48 -13.261  -9.200  -8.321
  338    H    GLY  49           H        GLY  49  -8.479  -9.693  -7.428
  339   1HA   GLY  49          2HA       GLY  49  -9.104  -8.882  -4.740
  340   2HA   GLY  49          1HA       GLY  49  -7.583  -9.566  -5.300
  341    H    LEU  50           H        LEU  50  -7.023  -7.709  -7.338
  342    HA   LEU  50           HA       LEU  50  -5.838  -5.666  -5.720
  343   1HB   LEU  50          2HB       LEU  50  -5.907  -5.985  -8.723
  344   2HB   LEU  50          1HB       LEU  50  -4.903  -4.846  -7.846
  345    HG   LEU  50           HG       LEU  50  -4.701  -7.854  -7.649
  346   1HD1  LEU  50          1HD1      LEU  50  -3.958  -6.999  -9.814
  347   2HD1  LEU  50          2HD1      LEU  50  -2.600  -7.581  -8.852
  348   3HD1  LEU  50          3HD1      LEU  50  -2.899  -5.850  -8.996
  349   1HD2  LEU  50          1HD2      LEU  50  -4.073  -6.719  -5.574
  350   2HD2  LEU  50          2HD2      LEU  50  -2.964  -5.686  -6.475
  351   3HD2  LEU  50          3HD2      LEU  50  -2.668  -7.422  -6.376
  352    H    GLN  51           H        GLN  51  -8.493  -5.839  -8.042
  353    HA   GLN  51           HA       GLN  51  -9.033  -3.167  -8.398
  354   1HB   GLN  51          2HB       GLN  51 -10.211  -5.496  -9.169
  355   2HB   GLN  51          1HB       GLN  51 -11.416  -4.865  -8.052
  356   1HG   GLN  51          2HG       GLN  51 -11.954  -4.131 -10.256
  357   2HG   GLN  51          1HG       GLN  51 -11.403  -2.740  -9.320
  358   1HE2  GLN  51          1HE2      GLN  51  -9.280  -5.201 -10.603
  359   2HE2  GLN  51          2HE2      GLN  51  -8.485  -4.187 -11.759
  360    H    GLN  52           H        GLN  52 -10.271  -5.288  -5.817
  361    HA   GLN  52           HA       GLN  52 -11.825  -3.282  -4.581
  362   1HB   GLN  52          2HB       GLN  52 -10.695  -5.862  -3.503
  363   2HB   GLN  52          1HB       GLN  52 -11.761  -4.814  -2.576
  364   1HG   GLN  52          2HG       GLN  52 -12.415  -6.184  -5.179
  365   2HG   GLN  52          1HG       GLN  52 -13.021  -6.614  -3.580
  366   1HE2  GLN  52          1HE2      GLN  52 -13.357  -3.821  -2.758
  367   2HE2  GLN  52          2HE2      GLN  52 -14.764  -3.248  -3.596
  368    H    LEU  53           H        LEU  53  -8.491  -4.329  -4.070
  369    HA   LEU  53           HA       LEU  53  -7.907  -2.782  -1.816
  370   1HB   LEU  53          2HB       LEU  53  -6.135  -3.616  -4.105
  371   2HB   LEU  53          1HB       LEU  53  -5.544  -2.879  -2.628
  372    HG   LEU  53           HG       LEU  53  -6.986  -5.528  -2.807
  373   1HD1  LEU  53          1HD1      LEU  53  -4.833  -6.511  -2.250
  374   2HD1  LEU  53          2HD1      LEU  53  -4.083  -4.914  -2.269
  375   3HD1  LEU  53          3HD1      LEU  53  -4.735  -5.600  -3.759
  376   1HD2  LEU  53          1HD2      LEU  53  -6.339  -5.768  -0.445
  377   2HD2  LEU  53          2HD2      LEU  53  -7.441  -4.415  -0.700
  378   3HD2  LEU  53          3HD2      LEU  53  -5.719  -4.117  -0.461
  379    H    LEU  54           H        LEU  54  -8.426  -1.816  -5.082
  380    HA   LEU  54           HA       LEU  54  -6.925   0.637  -4.919
  381   1HB   LEU  54          2HB       LEU  54  -8.886  -0.380  -6.973
  382   2HB   LEU  54          1HB       LEU  54  -7.979   1.111  -7.130
  383    HG   LEU  54           HG       LEU  54  -6.722  -1.622  -6.900
  384   1HD1  LEU  54          1HD1      LEU  54  -8.058  -1.311  -8.972
  385   2HD1  LEU  54          2HD1      LEU  54  -6.334  -1.517  -9.259
  386   3HD1  LEU  54          3HD1      LEU  54  -7.054   0.089  -9.358
  387   1HD2  LEU  54          1HD2      LEU  54  -4.696  -0.467  -7.616
  388   2HD2  LEU  54          2HD2      LEU  54  -5.312   0.208  -6.108
  389   3HD2  LEU  54          3HD2      LEU  54  -5.566   1.069  -7.628
  390    H    ASP  55           H        ASP  55 -10.010  -0.328  -3.897
  391    HA   ASP  55           HA       ASP  55 -11.510   1.996  -4.416
  392   1HB   ASP  55          2HB       ASP  55 -12.625  -0.045  -3.764
  393   2HB   ASP  55          1HB       ASP  55 -11.792  -0.057  -2.215
  394    H    GLY  56           H        GLY  56 -11.128   3.975  -3.743
  395   1HA   GLY  56          2HA       GLY  56 -11.080   5.503  -1.852
  396   2HA   GLY  56          1HA       GLY  56 -10.062   4.341  -1.010
  397    H    SER  57           H        SER  57  -9.343   4.709  -4.312
  398    HA   SER  57           HA       SER  57  -7.449   6.886  -3.871
  399   1HB   SER  57          2HB       SER  57  -5.566   5.602  -4.788
  400   2HB   SER  57          1HB       SER  57  -6.181   4.838  -3.322
  401    HG   SER  57           HG       SER  57  -7.418   3.444  -4.759
  402    H    GLY  58           H        GLY  58  -6.232   7.237  -6.101
  403   1HA   GLY  58          2HA       GLY  58  -8.222   6.895  -8.252
  404   2HA   GLY  58          1HA       GLY  58  -7.222   8.332  -8.080
  405    H    LEU  59           H        LEU  59  -6.395   4.926  -7.766
  406    HA   LEU  59           HA       LEU  59  -4.386   5.285  -9.889
  407   1HB   LEU  59          2HB       LEU  59  -4.233   3.436  -7.506
  408   2HB   LEU  59          1HB       LEU  59  -2.980   3.703  -8.700
  409    HG   LEU  59           HG       LEU  59  -3.982   5.807  -6.772
  410   1HD1  LEU  59          1HD1      LEU  59  -2.819   4.021  -5.591
  411   2HD1  LEU  59          2HD1      LEU  59  -1.842   5.489  -5.626
  412   3HD1  LEU  59          3HD1      LEU  59  -1.464   4.149  -6.712
  413   1HD2  LEU  59          1HD2      LEU  59  -3.102   6.720  -8.864
  414   2HD2  LEU  59          2HD2      LEU  59  -1.620   5.789  -8.648
  415   3HD2  LEU  59          3HD2      LEU  59  -2.030   7.070  -7.507
  416    H    GLN  60           H        GLN  60  -3.664   2.973 -10.689
  417    HA   GLN  60           HA       GLN  60  -5.817   1.048 -10.781
  418   1HB   GLN  60          2HB       GLN  60  -4.728   2.392 -13.260
  419   2HB   GLN  60          1HB       GLN  60  -5.577   0.857 -13.292
  420   1HG   GLN  60          2HG       GLN  60  -7.538   2.005 -12.279
  421   2HG   GLN  60          1HG       GLN  60  -6.674   3.531 -12.471
  422   1HE2  GLN  60          1HE2      GLN  60  -8.099   4.394 -13.906
  423   2HE2  GLN  60          2HE2      GLN  60  -8.270   3.837 -15.537
  424    H    VAL  61           H        VAL  61  -4.899  -0.926 -10.570
  425    HA   VAL  61           HA       VAL  61  -2.045  -1.222 -11.047
  426    HB   VAL  61           HB       VAL  61  -4.012  -3.307 -10.066
  427   1HG1  VAL  61          1HG1      VAL  61  -2.009  -4.510  -9.332
  428   2HG1  VAL  61          2HG1      VAL  61  -0.996  -3.251 -10.035
  429   3HG1  VAL  61          3HG1      VAL  61  -2.004  -4.252 -11.076
  430   1HG2  VAL  61          1HG2      VAL  61  -2.131  -1.542  -8.500
  431   2HG2  VAL  61          2HG2      VAL  61  -3.078  -2.873  -7.838
  432   3HG2  VAL  61          3HG2      VAL  61  -3.892  -1.454  -8.496
  433    H    LYS  62           H        LYS  62  -1.274  -1.930 -12.938
  434    HA   LYS  62           HA       LYS  62  -3.070  -3.405 -14.709
  435   1HB   LYS  62          2HB       LYS  62  -3.129  -1.018 -15.305
  436   2HB   LYS  62          1HB       LYS  62  -1.378  -1.011 -15.459
  437   1HG   LYS  62          2HG       LYS  62  -1.468  -2.461 -17.341
  438   2HG   LYS  62          1HG       LYS  62  -3.191  -2.739 -17.096
  439   1HD   LYS  62          2HD       LYS  62  -2.770  -1.152 -18.927
  440   2HD   LYS  62          1HD       LYS  62  -3.668  -0.409 -17.602
  441   1HE   LYS  62          2HE       LYS  62  -1.580   0.573 -16.758
  442   2HE   LYS  62          1HE       LYS  62  -0.701  -0.152 -18.100
  443   1HZ   LYS  62          1HZ       LYS  62  -1.987   1.177 -19.637
  444   2HZ   LYS  62          2HZ       LYS  62  -1.231   2.185 -18.495
  445   3HZ   LYS  62          3HZ       LYS  62  -2.887   1.845 -18.366
  446    HA   PRO  63           HA       PRO  63   0.553  -6.051 -14.878
  447   1HB   PRO  63          2HB       PRO  63  -0.935  -7.086 -17.240
  448   2HB   PRO  63          1HB       PRO  63  -0.279  -7.961 -15.854
  449   1HG   PRO  63          2HG       PRO  63  -2.896  -7.545 -16.072
  450   2HG   PRO  63          1HG       PRO  63  -2.085  -7.436 -14.498
  451   1HD   PRO  63          2HD       PRO  63  -3.013  -5.240 -16.305
  452   2HD   PRO  63          1HD       PRO  63  -3.086  -5.350 -14.535
  453    H    LEU  64           H        LEU  64   2.371  -6.093 -16.094
  454    HA   LEU  64           HA       LEU  64   2.707  -3.977 -18.003
  455   1HB   LEU  64          2HB       LEU  64   4.380  -4.834 -16.236
  456   2HB   LEU  64          1HB       LEU  64   4.720  -6.124 -17.369
  457    HG   LEU  64           HG       LEU  64   6.355  -4.217 -17.391
  458   1HD1  LEU  64          1HD1      LEU  64   6.513  -4.067 -19.834
  459   2HD1  LEU  64          2HD1      LEU  64   4.905  -4.774 -19.973
  460   3HD1  LEU  64          3HD1      LEU  64   6.225  -5.719 -19.286
  461   1HD2  LEU  64          1HD2      LEU  64   5.709  -2.160 -18.547
  462   2HD2  LEU  64          2HD2      LEU  64   4.789  -2.392 -17.062
  463   3HD2  LEU  64          3HD2      LEU  64   4.042  -2.729 -18.622
  464    H    GLY  65           H        GLY  65   2.883  -7.535 -18.132
  465   1HA   GLY  65          2HA       GLY  65   1.581  -7.952 -20.472
  466   2HA   GLY  65          1HA       GLY  65   3.211  -7.545 -20.987
  467    H    ASN  66           H        ASN  66   4.744  -8.736 -19.061
  468    HA   ASN  66           HA       ASN  66   4.138 -11.584 -19.502
  469   1HB   ASN  66          2HB       ASN  66   6.162 -10.815 -20.651
  470   2HB   ASN  66          1HB       ASN  66   6.809 -10.205 -19.133
  471   1HD2  ASN  66          1HD2      ASN  66   7.751 -11.606 -17.717
  472   2HD2  ASN  66          2HD2      ASN  66   8.056 -13.269 -18.081
  473    H    ASN  67           H        ASN  67   2.866 -11.765 -17.648
  474    HA   ASN  67           HA       ASN  67   2.324 -11.917 -15.438
  475   1HB   ASN  67          2HB       ASN  67   3.751 -13.549 -14.209
  476   2HB   ASN  67          1HB       ASN  67   3.260 -14.084 -15.808
  477   1HD2  ASN  67          1HD2      ASN  67   5.924 -12.941 -13.856
  478   2HD2  ASN  67          2HD2      ASN  67   7.183 -13.487 -14.918
  479    H    SER  68           H        SER  68   3.459  -9.398 -15.776
  480    HA   SER  68           HA       SER  68   4.425  -8.982 -13.055
  481   1HB   SER  68          2HB       SER  68   5.660  -7.742 -15.539
  482   2HB   SER  68          1HB       SER  68   6.085  -7.337 -13.876
  483    HG   SER  68           HG       SER  68   6.211 -10.024 -14.422
  484    H    TRP  69           H        TRP  69   4.441  -6.321 -12.843
  485    HA   TRP  69           HA       TRP  69   1.907  -5.398 -13.981
  486   1HB   TRP  69          2HB       TRP  69   2.445  -5.372 -11.007
  487   2HB   TRP  69          1HB       TRP  69   1.063  -4.652 -11.809
  488    HD1  TRP  69           HD       TRP  69   0.670  -7.530 -13.621
  489    HE1  TRP  69           1HE      TRP  69  -0.580  -9.413 -12.363
  490    HE3  TRP  69           3HE      TRP  69   1.310  -5.852  -8.878
  491    HZ2  TRP  69           2HZ      TRP  69  -1.226 -10.057  -9.682
  492    HZ3  TRP  69           3HZ      TRP  69   0.357  -7.124  -7.012
  493    HH2  TRP  69           HH       TRP  69  -0.888  -9.194  -7.405
  494    H    THR  70           H        THR  70   1.528  -3.102 -13.476
  495    HA   THR  70           HA       THR  70   3.687  -1.666 -12.176
  496    HB   THR  70           HB       THR  70   4.293  -1.562 -14.576
  497    HG1  THR  70           1HG      THR  70   4.633   0.636 -14.577
  498   1HG2  THR  70          1HG2      THR  70   1.625  -0.187 -14.918
  499   2HG2  THR  70          2HG2      THR  70   2.075  -1.762 -15.570
  500   3HG2  THR  70          3HG2      THR  70   2.883  -0.305 -16.149
  501    H    LEU  71           H        LEU  71   2.935   0.151 -11.079
  502    HA   LEU  71           HA       LEU  71   0.027   0.392 -10.971
  503   1HB   LEU  71          2HB       LEU  71   1.266   0.177  -8.865
  504   2HB   LEU  71          1HB       LEU  71   2.182   1.621  -9.244
  505    HG   LEU  71           HG       LEU  71   0.078   2.938  -9.150
  506   1HD1  LEU  71          1HD1      LEU  71  -1.505   1.166  -9.672
  507   2HD1  LEU  71          2HD1      LEU  71  -1.901   1.921  -8.127
  508   3HD1  LEU  71          3HD1      LEU  71  -1.106   0.349  -8.159
  509   1HD2  LEU  71          1HD2      LEU  71   1.557   2.810  -7.223
  510   2HD2  LEU  71          2HD2      LEU  71   0.736   1.348  -6.676
  511   3HD2  LEU  71          3HD2      LEU  71  -0.131   2.886  -6.714
  512    H    GLU  72           H        GLU  72  -0.653   1.574 -12.604
  513    HA   GLU  72           HA       GLU  72   0.684   4.087 -13.248
  514   1HB   GLU  72          2HB       GLU  72  -0.013   2.470 -15.040
  515   2HB   GLU  72          1HB       GLU  72  -1.686   2.843 -14.643
  516   1HG   GLU  72          2HG       GLU  72  -1.323   5.171 -15.236
  517   2HG   GLU  72          1HG       GLU  72   0.371   4.829 -15.582
  518    HA   PRO  73           HA       PRO  73  -2.416   6.417 -10.997
  519   1HB   PRO  73          2HB       PRO  73  -1.235   8.743 -12.329
  520   2HB   PRO  73          1HB       PRO  73  -1.277   8.349 -10.609
  521   1HG   PRO  73          2HG       PRO  73   1.007   8.279 -12.051
  522   2HG   PRO  73          1HG       PRO  73   0.702   7.183 -10.691
  523   1HD   PRO  73          2HD       PRO  73   0.466   6.663 -13.634
  524   2HD   PRO  73          1HD       PRO  73   1.141   5.627 -12.356
  525    H    ALA  74           H        ALA  74  -4.397   6.348 -11.813
  526    HA   ALA  74           HA       ALA  74  -5.197   7.922 -14.051
  527   1HB   ALA  74          1HB       ALA  74  -4.237   6.037 -15.280
  528   2HB   ALA  74          2HB       ALA  74  -5.989   6.088 -15.477
  529   3HB   ALA  74          3HB       ALA  74  -5.259   4.919 -14.378
  530    HA   PRO  75           HA       PRO  75  -8.356   6.992 -10.921
  531   1HB   PRO  75          2HB       PRO  75  -9.144   9.510 -10.424
  532   2HB   PRO  75          1HB       PRO  75  -7.627   8.872  -9.777
  533   1HG   PRO  75          2HG       PRO  75  -8.086  10.687 -12.103
  534   2HG   PRO  75          1HG       PRO  75  -6.782  10.709 -10.904
  535   1HD   PRO  75          2HD       PRO  75  -6.611   9.626 -13.466
  536   2HD   PRO  75          1HD       PRO  75  -5.516   9.260 -12.118
  537    H    ALA  76           H        ALA  76  -8.910   6.538 -13.611
  538    HA   ALA  76           HA       ALA  76 -10.526   6.514 -15.212
  539   1HB   ALA  76          1HB       ALA  76 -12.321   7.289 -12.911
  540   2HB   ALA  76          2HB       ALA  76 -11.876   5.645 -13.363
  541   3HB   ALA  76          3HB       ALA  76 -12.848   6.626 -14.458
  542    HA   PRO  77           HA       PRO  77 -10.379  11.156 -15.259
  543   1HB   PRO  77          2HB       PRO  77  -8.320  11.542 -16.955
  544   2HB   PRO  77          1HB       PRO  77  -8.085  11.219 -15.236
  545   1HG   PRO  77          2HG       PRO  77  -7.665   9.450 -17.567
  546   2HG   PRO  77          1HG       PRO  77  -6.867   9.444 -15.987
  547   1HD   PRO  77          2HD       PRO  77  -8.963   7.747 -16.850
  548   2HD   PRO  77          1HD       PRO  77  -8.298   7.882 -15.211
  549    H    LYS  78           H        LYS  78 -12.065  11.825 -16.364
  550    HA   LYS  78           HA       LYS  78 -12.661  10.859 -19.020
  551   1HB   LYS  78          2HB       LYS  78 -14.139  13.140 -17.751
  552   2HB   LYS  78          1HB       LYS  78 -14.751  11.858 -18.782
  553   1HG   LYS  78          2HG       LYS  78 -15.658  11.310 -16.739
  554   2HG   LYS  78          1HG       LYS  78 -14.200  10.314 -16.764
  555   1HD   LYS  78          2HD       LYS  78 -13.028  12.002 -15.427
  556   2HD   LYS  78          1HD       LYS  78 -14.478  13.004 -15.410
  557   1HE   LYS  78          2HE       LYS  78 -15.682  11.236 -14.208
  558   2HE   LYS  78          1HE       LYS  78 -14.225  10.242 -14.222
  559   1HZ   LYS  78          1HZ       LYS  78 -14.513  11.408 -12.107
  560   2HZ   LYS  78          2HZ       LYS  78 -14.472  12.903 -12.909
  561   3HZ   LYS  78          3HZ       LYS  78 -13.096  11.910 -12.894
  562    H    GLU  79           H        GLU  79 -12.907  14.201 -17.934
  563    HA   GLU  79           HA       GLU  79 -10.666  14.982 -19.632
  564   1HB   GLU  79          2HB       GLU  79 -12.888  15.283 -20.884
  565   2HB   GLU  79          1HB       GLU  79 -13.264  16.528 -19.702
  566   1HG   GLU  79          2HG       GLU  79 -11.414  17.859 -20.404
  567   2HG   GLU  79          1HG       GLU  79 -10.803  16.564 -21.432
  568    H    ASP  80           H        ASP  80 -11.207  14.555 -16.846
  569    HA   ASP  80           HA       ASP  80 -10.696  17.234 -15.762
  570   1HB   ASP  80          2HB       ASP  80 -12.422  15.066 -14.540
  571   2HB   ASP  80          1HB       ASP  80 -11.897  16.512 -13.685
  Start of MODEL    5
    1   1H    ALA   1          1HT       ALA   1 -11.048 -18.956   2.545
    2   2H    ALA   1          2HT       ALA   1  -9.373 -19.185   2.718
    3   3H    ALA   1          3HT       ALA   1 -10.168 -19.751   1.330
    4    HA   ALA   1           HA       ALA   1 -10.698 -17.492   0.679
    5   1HB   ALA   1          1HB       ALA   1 -10.763 -16.520   2.921
    6   2HB   ALA   1          2HB       ALA   1  -9.656 -15.628   1.877
    7   3HB   ALA   1          3HB       ALA   1  -9.022 -16.753   3.080
    8    H    GLN   2           H        GLN   2  -9.390 -16.684  -0.900
    9    HA   GLN   2           HA       GLN   2  -7.096 -18.226  -1.532
   10   1HB   GLN   2          2HB       GLN   2  -8.906 -16.740  -2.986
   11   2HB   GLN   2          1HB       GLN   2  -7.429 -15.795  -3.100
   12   1HG   GLN   2          2HG       GLN   2  -7.806 -18.666  -3.925
   13   2HG   GLN   2          1HG       GLN   2  -7.605 -17.276  -4.988
   14   1HE2  GLN   2          1HE2      GLN   2  -6.053 -19.551  -2.910
   15   2HE2  GLN   2          2HE2      GLN   2  -4.420 -19.133  -3.315
   16    H    VAL   3           H        VAL   3  -7.748 -15.122  -0.344
   17    HA   VAL   3           HA       VAL   3  -5.008 -14.694   0.494
   18    HB   VAL   3           HB       VAL   3  -5.006 -12.333  -0.385
   19   1HG1  VAL   3          1HG1      VAL   3  -3.658 -14.053  -1.444
   20   2HG1  VAL   3          2HG1      VAL   3  -4.300 -12.940  -2.652
   21   3HG1  VAL   3          3HG1      VAL   3  -5.029 -14.534  -2.444
   22   1HG2  VAL   3          1HG2      VAL   3  -7.297 -13.353  -2.061
   23   2HG2  VAL   3          2HG2      VAL   3  -6.447 -11.831  -2.317
   24   3HG2  VAL   3          3HG2      VAL   3  -7.375 -12.083  -0.841
   25    H    ASN   4           H        ASN   4  -4.835 -13.057   2.129
   26    HA   ASN   4           HA       ASN   4  -7.382 -12.103   3.185
   27   1HB   ASN   4          2HB       ASN   4  -5.339 -13.727   4.667
   28   2HB   ASN   4          1HB       ASN   4  -6.297 -12.527   5.530
   29   1HD2  ASN   4          1HD2      ASN   4  -6.257 -15.433   5.759
   30   2HD2  ASN   4          2HD2      ASN   4  -7.879 -15.961   5.459
   31    H    ILE   5           H        ILE   5  -7.251  -9.987   3.141
   32    HA   ILE   5           HA       ILE   5  -4.615  -8.739   3.552
   33    HB   ILE   5           HB       ILE   5  -7.044  -7.591   2.163
   34   1HG1  ILE   5          2HG1      ILE   5  -5.913  -9.363   0.863
   35   2HG1  ILE   5          1HG1      ILE   5  -5.717  -7.782   0.114
   36   1HG2  ILE   5          1HG2      ILE   5  -5.562  -5.735   1.552
   37   2HG2  ILE   5          2HG2      ILE   5  -4.278  -6.446   2.528
   38   3HG2  ILE   5          3HG2      ILE   5  -5.755  -5.870   3.299
   39   1HD1  ILE   5          1HD1      ILE   5  -3.660  -9.074   0.026
   40   2HD1  ILE   5          2HD1      ILE   5  -3.655  -9.199   1.786
   41   3HD1  ILE   5          3HD1      ILE   5  -3.463  -7.625   1.012
   42    H    ALA   6           H        ALA   6  -4.328  -7.827   5.452
   43    HA   ALA   6           HA       ALA   6  -6.586  -7.244   7.192
   44   1HB   ALA   6          1HB       ALA   6  -4.858  -6.766   8.871
   45   2HB   ALA   6          2HB       ALA   6  -3.607  -6.980   7.645
   46   3HB   ALA   6          3HB       ALA   6  -4.610  -8.348   8.133
   47    HA   PRO   7           HA       PRO   7  -6.476  -2.767   6.440
   48   1HB   PRO   7          2HB       PRO   7  -6.544  -1.930   9.099
   49   2HB   PRO   7          1HB       PRO   7  -7.963  -2.251   8.098
   50   1HG   PRO   7          2HG       PRO   7  -6.659  -3.970  10.148
   51   2HG   PRO   7          1HG       PRO   7  -8.377  -3.804   9.748
   52   1HD   PRO   7          2HD       PRO   7  -6.920  -5.932   8.970
   53   2HD   PRO   7          1HD       PRO   7  -8.237  -5.278   7.975
   54    H    GLY   8           H        GLY   8  -4.812  -1.097   6.569
   55   1HA   GLY   8          2HA       GLY   8  -2.586  -0.798   7.885
   56   2HA   GLY   8          1HA       GLY   8  -2.252  -2.366   7.156
   57    H    SER   9           H        SER   9  -0.440  -0.838   6.322
   58    HA   SER   9           HA       SER   9  -1.010   1.090   4.347
   59   1HB   SER   9          2HB       SER   9   1.153   0.961   5.500
   60   2HB   SER   9          1HB       SER   9   1.471  -0.603   4.750
   61    HG   SER   9           HG       SER   9   2.366   1.444   3.770
   62    H    LEU  10           H        LEU  10  -1.518   0.926   2.234
   63    HA   LEU  10           HA       LEU  10  -2.327  -1.532   1.121
   64   1HB   LEU  10          2HB       LEU  10  -3.299   0.616   0.466
   65   2HB   LEU  10          1HB       LEU  10  -1.757   1.129  -0.193
   66    HG   LEU  10           HG       LEU  10  -1.915  -0.660  -1.891
   67   1HD1  LEU  10          1HD1      LEU  10  -4.629  -1.125  -0.669
   68   2HD1  LEU  10          2HD1      LEU  10  -3.274  -2.254  -0.691
   69   3HD1  LEU  10          3HD1      LEU  10  -4.072  -1.806  -2.198
   70   1HD2  LEU  10          1HD2      LEU  10  -3.704   0.372  -3.215
   71   2HD2  LEU  10          2HD2      LEU  10  -2.686   1.578  -2.425
   72   3HD2  LEU  10          3HD2      LEU  10  -4.278   1.203  -1.768
   73    H    ASP  11           H        ASP  11   0.607   0.367   0.919
   74    HA   ASP  11           HA       ASP  11   2.054  -0.873  -1.034
   75   1HB   ASP  11          2HB       ASP  11   3.009   0.943   0.221
   76   2HB   ASP  11          1HB       ASP  11   2.941   0.019   1.717
   77    H    LYS  12           H        LYS  12   1.791  -1.949   2.350
   78    HA   LYS  12           HA       LYS  12   3.258  -4.335   1.912
   79   1HB   LYS  12          2HB       LYS  12   2.404  -2.910   4.126
   80   2HB   LYS  12          1HB       LYS  12   1.446  -4.382   4.198
   81   1HG   LYS  12          2HG       LYS  12   3.512  -4.582   5.473
   82   2HG   LYS  12          1HG       LYS  12   3.464  -5.727   4.131
   83   1HD   LYS  12          2HD       LYS  12   5.664  -4.695   4.309
   84   2HD   LYS  12          1HD       LYS  12   4.879  -4.222   2.803
   85   1HE   LYS  12          2HE       LYS  12   4.116  -2.134   4.015
   86   2HE   LYS  12          1HE       LYS  12   5.221  -2.593   5.309
   87   1HZ   LYS  12          1HZ       LYS  12   6.978  -2.668   3.496
   88   2HZ   LYS  12          2HZ       LYS  12   6.425  -1.138   3.976
   89   3HZ   LYS  12          3HZ       LYS  12   5.862  -1.824   2.527
   90    H    ALA  13           H        ALA  13  -0.081  -3.452   1.558
   91    HA   ALA  13           HA       ALA  13  -1.204  -6.057   1.779
   92   1HB   ALA  13          1HB       ALA  13  -2.555  -4.025   2.029
   93   2HB   ALA  13          2HB       ALA  13  -3.192  -5.072   0.761
   94   3HB   ALA  13          3HB       ALA  13  -2.272  -3.627   0.336
   95    H    LEU  14           H        LEU  14  -0.567  -3.989  -1.071
   96    HA   LEU  14           HA       LEU  14  -0.896  -5.966  -3.004
   97   1HB   LEU  14          2HB       LEU  14   0.907  -3.544  -3.061
   98   2HB   LEU  14          1HB       LEU  14   0.452  -4.494  -4.463
   99    HG   LEU  14           HG       LEU  14  -1.440  -2.896  -2.734
  100   1HD1  LEU  14          1HD1      LEU  14  -0.397  -2.398  -5.519
  101   2HD1  LEU  14          2HD1      LEU  14  -0.007  -1.467  -4.074
  102   3HD1  LEU  14          3HD1      LEU  14  -1.651  -1.463  -4.708
  103   1HD2  LEU  14          1HD2      LEU  14  -3.107  -3.420  -4.434
  104   2HD2  LEU  14          2HD2      LEU  14  -2.498  -4.888  -3.667
  105   3HD2  LEU  14          3HD2      LEU  14  -1.939  -4.434  -5.279
  106    H    ASN  15           H        ASN  15   1.984  -5.013  -1.178
  107    HA   ASN  15           HA       ASN  15   3.834  -6.646  -2.534
  108   1HB   ASN  15          2HB       ASN  15   4.555  -4.865  -1.025
  109   2HB   ASN  15          1HB       ASN  15   3.833  -5.705   0.343
  110   1HD2  ASN  15          1HD2      ASN  15   6.451  -5.681  -1.954
  111   2HD2  ASN  15          2HD2      ASN  15   7.468  -6.797  -1.096
  112    H    GLN  16           H        GLN  16   1.631  -7.274   0.145
  113    HA   GLN  16           HA       GLN  16   2.526  -9.851   0.797
  114   1HB   GLN  16          2HB       GLN  16   0.935  -8.406   2.118
  115   2HB   GLN  16          1HB       GLN  16  -0.312  -8.818   0.952
  116   1HG   GLN  16          2HG       GLN  16   1.166 -10.945   2.456
  117   2HG   GLN  16          1HG       GLN  16  -0.203 -10.102   3.172
  118   1HE2  GLN  16          1HE2      GLN  16  -1.594  -9.844   0.616
  119   2HE2  GLN  16          2HE2      GLN  16  -2.214 -11.414   0.253
  120    H    TYR  17           H        TYR  17   0.195  -8.692  -1.647
  121    HA   TYR  17           HA       TYR  17  -0.639 -11.326  -2.365
  122   1HB   TYR  17          2HB       TYR  17  -2.009  -9.227  -2.726
  123   2HB   TYR  17          1HB       TYR  17  -0.900  -8.813  -4.031
  124    HD1  TYR  17           1HD      TYR  17  -1.017  -9.941  -6.168
  125    HD2  TYR  17           2HD      TYR  17  -3.515 -11.195  -2.942
  126    HE1  TYR  17           1HE      TYR  17  -2.334 -11.318  -7.711
  127    HE2  TYR  17           2HE      TYR  17  -4.821 -12.566  -4.490
  128    HH   TYR  17           HH       TYR  17  -5.319 -12.713  -6.860
  129    H    ALA  18           H        ALA  18   1.751  -9.010  -3.555
  130    HA   ALA  18           HA       ALA  18   2.619 -10.233  -5.837
  131   1HB   ALA  18          1HB       ALA  18   3.485  -8.101  -4.996
  132   2HB   ALA  18          2HB       ALA  18   4.784  -9.203  -5.452
  133   3HB   ALA  18          3HB       ALA  18   4.385  -8.962  -3.752
  134    H    ALA  19           H        ALA  19   3.454 -11.087  -2.524
  135    HA   ALA  19           HA       ALA  19   5.375 -13.058  -3.070
  136   1HB   ALA  19          1HB       ALA  19   3.504 -12.864  -0.718
  137   2HB   ALA  19          2HB       ALA  19   5.080 -12.085  -0.862
  138   3HB   ALA  19          3HB       ALA  19   4.966 -13.844  -0.794
  139    H    HIS  20           H        HIS  20   1.998 -13.140  -3.595
  140    HA   HIS  20           HA       HIS  20   1.344 -15.804  -3.130
  141   1HB   HIS  20          2HB       HIS  20  -0.302 -14.046  -3.667
  142   2HB   HIS  20          1HB       HIS  20   0.305 -13.982  -5.314
  143    HD1  HIS  20           1HD      HIS  20  -1.354 -15.034  -6.808
  144    HD2  HIS  20           2HD      HIS  20  -1.032 -17.031  -3.182
  145    HE1  HIS  20           1HE      HIS  20  -2.918 -16.994  -6.978
  146    HE2  HIS  20           2HE      HIS  20  -2.609 -18.265  -4.829
  147    H    SER  21           H        SER  21   2.317 -14.369  -6.270
  148    HA   SER  21           HA       SER  21   3.064 -17.081  -7.111
  149   1HB   SER  21          2HB       SER  21   1.319 -15.960  -8.473
  150   2HB   SER  21          1HB       SER  21   2.468 -14.679  -8.852
  151    HG   SER  21           HG       SER  21   2.979 -17.419  -9.404
  152    H    GLY  22           H        GLY  22   4.358 -14.132  -6.161
  153   1HA   GLY  22          2HA       GLY  22   6.550 -13.452  -5.991
  154   2HA   GLY  22          1HA       GLY  22   7.031 -14.976  -6.724
  155    H    PHE  23           H        PHE  23   5.174 -12.129  -7.790
  156    HA   PHE  23           HA       PHE  23   6.682 -12.217 -10.312
  157   1HB   PHE  23          2HB       PHE  23   4.714 -10.641 -11.034
  158   2HB   PHE  23          1HB       PHE  23   4.457 -12.380 -10.944
  159    HD1  PHE  23           1HD      PHE  23   2.810 -13.278  -9.546
  160    HD2  PHE  23           2HD      PHE  23   3.984  -9.213  -9.101
  161    HE1  PHE  23           1HE      PHE  23   0.927 -12.901  -8.010
  162    HE2  PHE  23           2HE      PHE  23   2.105  -8.830  -7.564
  163    HZ   PHE  23           HZ       PHE  23   0.581 -10.732  -6.993
  164    H    THR  24           H        THR  24   6.818  -9.951 -11.356
  165    HA   THR  24           HA       THR  24   8.207  -8.282  -9.429
  166    HB   THR  24           HB       THR  24   8.048  -7.908 -12.421
  167    HG1  THR  24           1HG      THR  24   9.640  -9.615 -10.810
  168   1HG2  THR  24          1HG2      THR  24  10.189  -6.740 -12.105
  169   2HG2  THR  24          2HG2      THR  24  10.077  -7.005 -10.365
  170   3HG2  THR  24          3HG2      THR  24   8.898  -5.976 -11.177
  171    H    LEU  25           H        LEU  25   6.965  -6.886  -8.364
  172    HA   LEU  25           HA       LEU  25   4.870  -5.414  -9.795
  173   1HB   LEU  25          2HB       LEU  25   4.828  -6.543  -7.356
  174   2HB   LEU  25          1HB       LEU  25   5.357  -4.929  -6.924
  175    HG   LEU  25           HG       LEU  25   2.839  -5.579  -8.457
  176   1HD1  LEU  25          1HD1      LEU  25   2.738  -6.328  -6.163
  177   2HD1  LEU  25          2HD1      LEU  25   1.693  -4.930  -6.414
  178   3HD1  LEU  25          3HD1      LEU  25   3.246  -4.734  -5.604
  179   1HD2  LEU  25          1HD2      LEU  25   2.258  -3.229  -8.056
  180   2HD2  LEU  25          2HD2      LEU  25   3.707  -3.383  -9.051
  181   3HD2  LEU  25          3HD2      LEU  25   3.848  -2.959  -7.345
  182    H    SER  26           H        SER  26   5.210  -3.390 -10.474
  183    HA   SER  26           HA       SER  26   7.602  -1.986  -9.519
  184   1HB   SER  26          2HB       SER  26   5.913  -1.551 -11.992
  185   2HB   SER  26          1HB       SER  26   7.283  -0.541 -11.535
  186    HG   SER  26           HG       SER  26   8.484  -2.648 -11.502
  187    H    VAL  27           H        VAL  27   6.977  -1.021  -7.683
  188    HA   VAL  27           HA       VAL  27   5.121   1.197  -7.931
  189    HB   VAL  27           HB       VAL  27   3.649  -0.546  -7.117
  190   1HG1  VAL  27          1HG1      VAL  27   4.052  -1.715  -5.003
  191   2HG1  VAL  27          2HG1      VAL  27   5.633  -0.944  -4.879
  192   3HG1  VAL  27          3HG1      VAL  27   5.302  -2.073  -6.193
  193   1HG2  VAL  27          1HG2      VAL  27   4.434   1.352  -4.909
  194   2HG2  VAL  27          2HG2      VAL  27   2.922   0.450  -4.988
  195   3HG2  VAL  27          3HG2      VAL  27   3.285   1.670  -6.208
  196    H    ASP  28           H        ASP  28   5.858   2.943  -6.861
  197    HA   ASP  28           HA       ASP  28   8.202   2.608  -5.150
  198   1HB   ASP  28          2HB       ASP  28   6.926   5.113  -6.272
  199   2HB   ASP  28          1HB       ASP  28   8.367   5.090  -5.264
  200    H    ALA  29           H        ALA  29   8.141   2.794  -3.033
  201    HA   ALA  29           HA       ALA  29   5.769   2.723  -1.574
  202   1HB   ALA  29          1HB       ALA  29   7.910   1.843  -0.780
  203   2HB   ALA  29          2HB       ALA  29   7.158   2.914   0.402
  204   3HB   ALA  29          3HB       ALA  29   8.506   3.490  -0.579
  205    H    SER  30           H        SER  30   7.167   5.441  -2.991
  206    HA   SER  30           HA       SER  30   6.502   7.385  -1.015
  207   1HB   SER  30          2HB       SER  30   6.769   8.964  -3.039
  208   2HB   SER  30          1HB       SER  30   8.183   8.049  -2.518
  209    HG   SER  30           HG       SER  30   7.148   8.093  -4.914
  210    H    LEU  31           H        LEU  31   4.923   6.168  -3.943
  211    HA   LEU  31           HA       LEU  31   2.717   7.891  -3.905
  212   1HB   LEU  31          2HB       LEU  31   2.968   5.088  -4.986
  213   2HB   LEU  31          1HB       LEU  31   1.611   6.150  -5.299
  214    HG   LEU  31           HG       LEU  31   3.449   7.767  -6.207
  215   1HD1  LEU  31          1HD1      LEU  31   5.311   6.580  -7.264
  216   2HD1  LEU  31          2HD1      LEU  31   4.827   5.110  -6.417
  217   3HD1  LEU  31          3HD1      LEU  31   5.367   6.519  -5.501
  218   1HD2  LEU  31          1HD2      LEU  31   2.600   5.303  -7.718
  219   2HD2  LEU  31          2HD2      LEU  31   3.180   6.807  -8.435
  220   3HD2  LEU  31          3HD2      LEU  31   1.658   6.782  -7.541
  221    H    THR  32           H        THR  32   3.250   4.739  -2.411
  222    HA   THR  32           HA       THR  32   0.543   4.695  -1.332
  223    HB   THR  32           HB       THR  32   1.490   2.461  -0.352
  224    HG1  THR  32           1HG      THR  32   3.305   1.697  -1.412
  225   1HG2  THR  32          1HG2      THR  32  -0.165   2.643  -2.180
  226   2HG2  THR  32          2HG2      THR  32   0.954   1.302  -2.421
  227   3HG2  THR  32          3HG2      THR  32   1.157   2.795  -3.336
  228    H    ARG  33           H        ARG  33   3.016   6.410  -0.436
  229    HA   ARG  33           HA       ARG  33   3.508   5.689   2.265
  230   1HB   ARG  33          2HB       ARG  33   5.046   7.125   1.058
  231   2HB   ARG  33          1HB       ARG  33   3.793   8.336   0.832
  232   1HG   ARG  33          2HG       ARG  33   3.708   8.595   3.315
  233   2HG   ARG  33          1HG       ARG  33   5.113   7.529   3.409
  234   1HD   ARG  33          2HD       ARG  33   6.433   9.059   2.128
  235   2HD   ARG  33          1HD       ARG  33   5.029  10.076   1.807
  236    HE   ARG  33           HE       ARG  33   6.105   9.690   4.524
  237   1HH1  ARG  33          1HH1      ARG  33   4.912  11.740   1.945
  238   2HH1  ARG  33          2HH1      ARG  33   5.036  13.201   2.882
  239   1HH2  ARG  33          1HH2      ARG  33   6.264  11.625   5.750
  240   2HH2  ARG  33          2HH2      ARG  33   5.812  13.137   5.017
  241    H    GLY  34           H        GLY  34   2.003   5.651   3.800
  242   1HA   GLY  34          2HA       GLY  34   0.448   6.586   5.269
  243   2HA   GLY  34          1HA       GLY  34   0.264   7.949   4.172
  244    H    LYS  35           H        LYS  35   0.082   5.283   2.303
  245    HA   LYS  35           HA       LYS  35  -2.797   5.525   2.062
  246   1HB   LYS  35          2HB       LYS  35  -1.270   5.452   0.078
  247   2HB   LYS  35          1HB       LYS  35  -0.871   3.793   0.497
  248   1HG   LYS  35          2HG       LYS  35  -2.485   3.639  -1.185
  249   2HG   LYS  35          1HG       LYS  35  -3.354   3.308   0.316
  250   1HD   LYS  35          2HD       LYS  35  -4.025   5.714   0.366
  251   2HD   LYS  35          1HD       LYS  35  -3.291   5.882  -1.235
  252   1HE   LYS  35          2HE       LYS  35  -5.637   5.554  -1.540
  253   2HE   LYS  35          1HE       LYS  35  -4.816   4.074  -2.033
  254   1HZ   LYS  35          1HZ       LYS  35  -5.358   3.154   0.187
  255   2HZ   LYS  35          2HZ       LYS  35  -6.728   3.507  -0.739
  256   3HZ   LYS  35          3HZ       LYS  35  -6.267   4.545   0.521
  257    H    GLN  36           H        GLN  36  -4.068   4.286   3.338
  258    HA   GLN  36           HA       GLN  36  -3.132   1.591   4.024
  259   1HB   GLN  36          2HB       GLN  36  -4.836   1.661   5.814
  260   2HB   GLN  36          1HB       GLN  36  -3.632   2.931   5.977
  261   1HG   GLN  36          2HG       GLN  36  -5.173   4.559   5.081
  262   2HG   GLN  36          1HG       GLN  36  -6.376   3.301   4.794
  263   1HE2  GLN  36          1HE2      GLN  36  -4.710   5.187   7.197
  264   2HE2  GLN  36          2HE2      GLN  36  -5.812   4.868   8.498
  265    H    SER  37           H        SER  37  -4.813  -0.145   4.029
  266    HA   SER  37           HA       SER  37  -7.179   0.481   2.437
  267   1HB   SER  37          2HB       SER  37  -5.499  -0.622   0.954
  268   2HB   SER  37          1HB       SER  37  -5.428  -1.976   2.079
  269    HG   SER  37           HG       SER  37  -7.354  -1.321   0.210
  270    H    ASN  38           H        ASN  38  -8.969  -0.323   3.350
  271    HA   ASN  38           HA       ASN  38  -8.909  -1.234   5.990
  272   1HB   ASN  38          2HB       ASN  38 -11.073  -1.120   3.924
  273   2HB   ASN  38          1HB       ASN  38 -11.382  -1.831   5.508
  274   1HD2  ASN  38          1HD2      ASN  38  -9.099   0.774   5.138
  275   2HD2  ASN  38          2HD2      ASN  38 -10.078   1.994   5.892
  276    H    GLY  39           H        GLY  39  -8.769  -3.080   3.060
  277   1HA   GLY  39          2HA       GLY  39  -7.521  -5.211   3.640
  278   2HA   GLY  39          1HA       GLY  39  -8.862  -5.512   4.732
  279    H    LEU  40           H        LEU  40  -8.717  -7.552   3.328
  280    HA   LEU  40           HA       LEU  40 -10.826  -7.532   1.426
  281   1HB   LEU  40          2HB       LEU  40  -9.099  -6.849  -0.113
  282   2HB   LEU  40          1HB       LEU  40  -7.975  -8.025   0.538
  283    HG   LEU  40           HG       LEU  40  -9.436  -9.843  -0.350
  284   1HD1  LEU  40          1HD1      LEU  40 -11.526  -8.595  -0.426
  285   2HD1  LEU  40          2HD1      LEU  40 -11.130  -9.278  -2.002
  286   3HD1  LEU  40          3HD1      LEU  40 -10.870  -7.559  -1.695
  287   1HD2  LEU  40          1HD2      LEU  40  -7.470  -9.117  -1.577
  288   2HD2  LEU  40          2HD2      LEU  40  -8.405  -7.840  -2.358
  289   3HD2  LEU  40          3HD2      LEU  40  -8.774  -9.533  -2.691
  290    H    HIS  41           H        HIS  41 -11.842  -9.491   1.733
  291    HA   HIS  41           HA       HIS  41 -10.177 -11.752   2.618
  292   1HB   HIS  41          2HB       HIS  41 -12.649 -10.776   4.061
  293   2HB   HIS  41          1HB       HIS  41 -11.866 -12.322   4.368
  294    HD1  HIS  41           1HD      HIS  41 -11.602  -8.683   5.079
  295    HD2  HIS  41           2HD      HIS  41  -9.354 -12.136   5.677
  296    HE1  HIS  41           1HE      HIS  41  -9.826  -8.062   6.758
  297    HE2  HIS  41           2HE      HIS  41  -8.431 -10.143   7.048
  298    H    GLY  42           H        GLY  42 -10.484 -12.852   0.746
  299   1HA   GLY  42          2HA       GLY  42 -12.887 -14.396   0.638
  300   2HA   GLY  42          1HA       GLY  42 -12.786 -13.260  -0.699
  301    H    ASP  43           H        ASP  43 -12.905 -15.824  -1.366
  302    HA   ASP  43           HA       ASP  43 -10.181 -16.701  -2.000
  303   1HB   ASP  43          2HB       ASP  43 -12.235 -18.233  -1.511
  304   2HB   ASP  43          1HB       ASP  43 -12.730 -17.849  -3.156
  305    H    TYR  44           H        TYR  44  -9.616 -14.756  -3.086
  306    HA   TYR  44           HA       TYR  44 -11.252 -13.879  -5.337
  307   1HB   TYR  44          2HB       TYR  44  -9.440 -12.591  -3.406
  308   2HB   TYR  44          1HB       TYR  44  -9.347 -11.952  -5.043
  309    HD1  TYR  44           1HD      TYR  44 -11.570 -12.510  -2.156
  310    HD2  TYR  44           2HD      TYR  44 -11.132 -10.625  -5.942
  311    HE1  TYR  44           1HE      TYR  44 -13.588 -11.179  -1.716
  312    HE2  TYR  44           2HE      TYR  44 -13.149  -9.283  -5.512
  313    HH   TYR  44           HH       TYR  44 -14.593  -9.060  -2.447
  314    H    ASP  45           H        ASP  45 -10.469 -13.454  -7.347
  315    HA   ASP  45           HA       ASP  45  -8.023 -14.826  -8.132
  316   1HB   ASP  45          2HB       ASP  45 -10.040 -15.188  -9.470
  317   2HB   ASP  45          1HB       ASP  45 -10.183 -13.462  -9.761
  318    H    VAL  46           H        VAL  46  -6.691 -13.600  -9.859
  319    HA   VAL  46           HA       VAL  46  -5.174 -11.784  -8.491
  320    HB   VAL  46           HB       VAL  46  -5.384 -11.929 -11.497
  321   1HG1  VAL  46          1HG1      VAL  46  -3.040 -11.201 -11.461
  322   2HG1  VAL  46          2HG1      VAL  46  -3.130 -11.027  -9.708
  323   3HG1  VAL  46          3HG1      VAL  46  -4.117 -10.000 -10.750
  324   1HG2  VAL  46          1HG2      VAL  46  -3.684 -13.539  -9.596
  325   2HG2  VAL  46          2HG2      VAL  46  -3.591 -13.590 -11.357
  326   3HG2  VAL  46          3HG2      VAL  46  -5.052 -14.141 -10.533
  327    H    GLU  47           H        GLU  47  -6.976 -10.726 -11.394
  328    HA   GLU  47           HA       GLU  47  -6.543  -8.002 -10.783
  329   1HB   GLU  47          2HB       GLU  47  -8.408  -9.332 -12.736
  330   2HB   GLU  47          1HB       GLU  47  -8.222  -7.586 -12.615
  331   1HG   GLU  47          2HG       GLU  47  -5.855  -7.786 -13.141
  332   2HG   GLU  47          1HG       GLU  47  -6.015  -9.540 -13.236
  333    H    SER  48           H        SER  48  -9.106 -10.172  -9.865
  334    HA   SER  48           HA       SER  48 -11.064  -8.164  -9.370
  335   1HB   SER  48          2HB       SER  48 -10.879 -10.983  -8.285
  336   2HB   SER  48          1HB       SER  48 -12.324  -9.979  -8.372
  337    HG   SER  48           HG       SER  48 -12.207 -10.058 -10.624
  338    H    GLY  49           H        GLY  49  -8.482  -9.677  -7.570
  339   1HA   GLY  49          2HA       GLY  49  -9.406  -8.796  -4.983
  340   2HA   GLY  49          1HA       GLY  49  -7.848  -9.530  -5.347
  341    H    LEU  50           H        LEU  50  -7.193  -7.677  -7.447
  342    HA   LEU  50           HA       LEU  50  -5.952  -5.643  -5.914
  343   1HB   LEU  50          2HB       LEU  50  -6.354  -5.846  -8.900
  344   2HB   LEU  50          1HB       LEU  50  -5.240  -4.759  -8.096
  345    HG   LEU  50           HG       LEU  50  -5.062  -7.772  -8.031
  346   1HD1  LEU  50          1HD1      LEU  50  -3.474  -5.731  -9.587
  347   2HD1  LEU  50          2HD1      LEU  50  -4.597  -6.917 -10.253
  348   3HD1  LEU  50          3HD1      LEU  50  -3.102  -7.450  -9.484
  349   1HD2  LEU  50          1HD2      LEU  50  -3.196  -5.630  -7.014
  350   2HD2  LEU  50          2HD2      LEU  50  -2.846  -7.359  -7.050
  351   3HD2  LEU  50          3HD2      LEU  50  -4.146  -6.744  -6.030
  352    H    GLN  51           H        GLN  51  -8.734  -5.703  -8.096
  353    HA   GLN  51           HA       GLN  51  -9.342  -2.998  -8.158
  354   1HB   GLN  51          2HB       GLN  51 -10.423  -4.643  -9.605
  355   2HB   GLN  51          1HB       GLN  51 -11.231  -5.356  -8.216
  356   1HG   GLN  51          2HG       GLN  51 -12.768  -3.972  -9.445
  357   2HG   GLN  51          1HG       GLN  51 -12.453  -3.260  -7.864
  358   1HE2  GLN  51          1HE2      GLN  51 -11.974  -2.957 -11.295
  359   2HE2  GLN  51          2HE2      GLN  51 -11.440  -1.312 -11.274
  360    H    GLN  52           H        GLN  52 -10.212  -5.443  -5.744
  361    HA   GLN  52           HA       GLN  52 -11.927  -3.839  -4.205
  362   1HB   GLN  52          2HB       GLN  52 -10.185  -6.192  -3.515
  363   2HB   GLN  52          1HB       GLN  52 -11.189  -5.399  -2.312
  364   1HG   GLN  52          2HG       GLN  52 -12.176  -6.701  -4.841
  365   2HG   GLN  52          1HG       GLN  52 -12.270  -7.380  -3.217
  366   1HE2  GLN  52          1HE2      GLN  52 -13.616  -5.148  -5.459
  367   2HE2  GLN  52          2HE2      GLN  52 -14.972  -4.662  -4.492
  368    H    LEU  53           H        LEU  53  -8.481  -4.556  -3.710
  369    HA   LEU  53           HA       LEU  53  -8.096  -2.950  -1.467
  370   1HB   LEU  53          2HB       LEU  53  -6.124  -3.710  -3.618
  371   2HB   LEU  53          1HB       LEU  53  -5.697  -3.050  -2.050
  372    HG   LEU  53           HG       LEU  53  -7.047  -5.701  -2.555
  373   1HD1  LEU  53          1HD1      LEU  53  -4.275  -5.039  -1.576
  374   2HD1  LEU  53          2HD1      LEU  53  -4.692  -5.703  -3.154
  375   3HD1  LEU  53          3HD1      LEU  53  -4.969  -6.656  -1.697
  376   1HD2  LEU  53          1HD2      LEU  53  -6.797  -6.068  -0.159
  377   2HD2  LEU  53          2HD2      LEU  53  -7.837  -4.683  -0.493
  378   3HD2  LEU  53          3HD2      LEU  53  -6.171  -4.428   0.030
  379    H    LEU  54           H        LEU  54  -8.104  -2.115  -4.860
  380    HA   LEU  54           HA       LEU  54  -7.054   0.549  -4.257
  381   1HB   LEU  54          2HB       LEU  54  -7.246  -1.101  -6.726
  382   2HB   LEU  54          1HB       LEU  54  -7.233   0.642  -6.891
  383    HG   LEU  54           HG       LEU  54  -5.071   0.684  -5.630
  384   1HD1  LEU  54          1HD1      LEU  54  -5.293  -1.442  -4.461
  385   2HD1  LEU  54          2HD1      LEU  54  -3.812  -1.393  -5.417
  386   3HD1  LEU  54          3HD1      LEU  54  -5.208  -2.305  -5.995
  387   1HD2  LEU  54          1HD2      LEU  54  -5.131  -0.949  -8.163
  388   2HD2  LEU  54          2HD2      LEU  54  -3.727  -0.098  -7.516
  389   3HD2  LEU  54          3HD2      LEU  54  -5.140   0.809  -8.060
  390    H    ASP  55           H        ASP  55  -9.964  -0.620  -3.989
  391    HA   ASP  55           HA       ASP  55 -11.626   0.882  -5.664
  392   1HB   ASP  55          2HB       ASP  55 -12.500  -0.914  -4.294
  393   2HB   ASP  55          1HB       ASP  55 -12.091  -0.037  -2.823
  394    H    GLY  56           H        GLY  56 -11.551   2.993  -5.956
  395   1HA   GLY  56          2HA       GLY  56 -11.665   5.246  -5.529
  396   2HA   GLY  56          1HA       GLY  56 -12.175   4.829  -3.900
  397    H    SER  57           H        SER  57  -9.120   4.013  -5.485
  398    HA   SER  57           HA       SER  57  -7.730   5.243  -3.224
  399   1HB   SER  57          2HB       SER  57  -5.787   3.912  -4.036
  400   2HB   SER  57          1HB       SER  57  -7.196   2.917  -3.660
  401    HG   SER  57           HG       SER  57  -7.498   2.506  -5.747
  402    H    GLY  58           H        GLY  58  -8.429   5.882  -6.481
  403   1HA   GLY  58          2HA       GLY  58  -7.693   7.589  -7.866
  404   2HA   GLY  58          1HA       GLY  58  -6.536   8.048  -6.621
  405    H    LEU  59           H        LEU  59  -6.376   4.794  -7.180
  406    HA   LEU  59           HA       LEU  59  -4.025   5.128  -8.914
  407   1HB   LEU  59          2HB       LEU  59  -4.599   3.063  -6.786
  408   2HB   LEU  59          1HB       LEU  59  -3.199   3.055  -7.836
  409    HG   LEU  59           HG       LEU  59  -3.841   5.236  -5.855
  410   1HD1  LEU  59          1HD1      LEU  59  -1.816   3.008  -5.703
  411   2HD1  LEU  59          2HD1      LEU  59  -3.288   3.142  -4.738
  412   3HD1  LEU  59          3HD1      LEU  59  -1.996   4.328  -4.547
  413   1HD2  LEU  59          1HD2      LEU  59  -1.404   4.733  -7.557
  414   2HD2  LEU  59          2HD2      LEU  59  -1.556   5.989  -6.329
  415   3HD2  LEU  59          3HD2      LEU  59  -2.575   6.036  -7.769
  416    H    GLN  60           H        GLN  60  -3.501   3.121 -10.187
  417    HA   GLN  60           HA       GLN  60  -5.786   1.467 -10.875
  418   1HB   GLN  60          2HB       GLN  60  -5.982   3.355 -12.408
  419   2HB   GLN  60          1HB       GLN  60  -4.285   3.218 -12.837
  420   1HG   GLN  60          2HG       GLN  60  -4.826   0.921 -13.725
  421   2HG   GLN  60          1HG       GLN  60  -6.527   1.349 -13.525
  422   1HE2  GLN  60          1HE2      GLN  60  -7.427   2.923 -14.850
  423   2HE2  GLN  60          2HE2      GLN  60  -6.649   3.481 -16.293
  424    H    VAL  61           H        VAL  61  -4.987  -0.550 -10.794
  425    HA   VAL  61           HA       VAL  61  -2.123  -0.940 -11.156
  426    HB   VAL  61           HB       VAL  61  -3.098  -1.968  -9.179
  427   1HG1  VAL  61          1HG1      VAL  61  -4.848  -3.514 -11.080
  428   2HG1  VAL  61          2HG1      VAL  61  -5.375  -2.274  -9.944
  429   3HG1  VAL  61          3HG1      VAL  61  -4.720  -3.798  -9.344
  430   1HG2  VAL  61          1HG2      VAL  61  -1.216  -3.109 -10.178
  431   2HG2  VAL  61          2HG2      VAL  61  -2.294  -4.006 -11.249
  432   3HG2  VAL  61          3HG2      VAL  61  -2.344  -4.288  -9.509
  433    H    LYS  62           H        LYS  62  -1.246  -1.831 -12.923
  434    HA   LYS  62           HA       LYS  62  -3.028  -3.249 -14.775
  435   1HB   LYS  62          2HB       LYS  62  -0.994  -1.127 -15.473
  436   2HB   LYS  62          1HB       LYS  62  -1.683  -2.226 -16.657
  437   1HG   LYS  62          2HG       LYS  62  -3.953  -1.288 -15.675
  438   2HG   LYS  62          1HG       LYS  62  -2.911   0.074 -15.251
  439   1HD   LYS  62          2HD       LYS  62  -3.012  -1.109 -18.018
  440   2HD   LYS  62          1HD       LYS  62  -4.062   0.207 -17.501
  441   1HE   LYS  62          2HE       LYS  62  -1.112   0.466 -17.123
  442   2HE   LYS  62          1HE       LYS  62  -1.797   0.703 -18.730
  443   1HZ   LYS  62          1HZ       LYS  62  -3.242   2.411 -17.831
  444   2HZ   LYS  62          2HZ       LYS  62  -1.619   2.794 -17.512
  445   3HZ   LYS  62          3HZ       LYS  62  -2.608   2.178 -16.281
  446    HA   PRO  63           HA       PRO  63   0.294  -6.294 -14.537
  447   1HB   PRO  63          2HB       PRO  63  -1.344  -7.453 -16.723
  448   2HB   PRO  63          1HB       PRO  63  -0.769  -8.209 -15.233
  449   1HG   PRO  63          2HG       PRO  63  -3.342  -7.546 -15.539
  450   2HG   PRO  63          1HG       PRO  63  -2.526  -7.380 -13.973
  451   1HD   PRO  63          2HD       PRO  63  -3.216  -5.276 -15.983
  452   2HD   PRO  63          1HD       PRO  63  -3.284  -5.208 -14.209
  453    H    LEU  64           H        LEU  64   2.110  -5.842 -15.546
  454    HA   LEU  64           HA       LEU  64   2.224  -3.968 -17.634
  455   1HB   LEU  64          2HB       LEU  64   3.933  -4.505 -15.779
  456   2HB   LEU  64          1HB       LEU  64   4.501  -5.767 -16.850
  457    HG   LEU  64           HG       LEU  64   5.793  -3.583 -16.868
  458   1HD1  LEU  64          1HD1      LEU  64   4.673  -4.586 -19.476
  459   2HD1  LEU  64          2HD1      LEU  64   6.072  -5.234 -18.619
  460   3HD1  LEU  64          3HD1      LEU  64   6.125  -3.602 -19.289
  461   1HD2  LEU  64          1HD2      LEU  64   3.907  -2.056 -16.815
  462   2HD2  LEU  64          2HD2      LEU  64   3.359  -2.651 -18.384
  463   3HD2  LEU  64          3HD2      LEU  64   4.887  -1.782 -18.254
  464    H    GLY  65           H        GLY  65   2.754  -7.500 -17.627
  465   1HA   GLY  65          2HA       GLY  65   1.712  -8.192 -19.976
  466   2HA   GLY  65          1HA       GLY  65   3.225  -7.462 -20.494
  467    H    ASN  66           H        ASN  66   5.156  -8.296 -19.087
  468    HA   ASN  66           HA       ASN  66   5.223 -11.149 -19.523
  469   1HB   ASN  66          2HB       ASN  66   7.288  -9.086 -18.797
  470   2HB   ASN  66          1HB       ASN  66   7.659 -10.801 -18.695
  471   1HD2  ASN  66          1HD2      ASN  66   9.249 -10.514 -20.284
  472   2HD2  ASN  66          2HD2      ASN  66   8.827 -10.359 -21.959
  473    H    ASN  67           H        ASN  67   3.445 -10.987 -17.651
  474    HA   ASN  67           HA       ASN  67   2.817 -11.672 -15.579
  475   1HB   ASN  67          2HB       ASN  67   4.292 -13.607 -16.381
  476   2HB   ASN  67          1HB       ASN  67   5.544 -12.947 -15.336
  477   1HD2  ASN  67          1HD2      ASN  67   5.381 -13.182 -13.135
  478   2HD2  ASN  67          2HD2      ASN  67   4.174 -14.169 -12.381
  479    H    SER  68           H        SER  68   3.762  -9.077 -15.640
  480    HA   SER  68           HA       SER  68   4.687  -8.795 -12.875
  481   1HB   SER  68          2HB       SER  68   5.836  -7.172 -15.175
  482   2HB   SER  68          1HB       SER  68   6.327  -7.120 -13.482
  483    HG   SER  68           HG       SER  68   6.481  -9.636 -14.447
  484    H    TRP  69           H        TRP  69   4.627  -6.182 -12.548
  485    HA   TRP  69           HA       TRP  69   1.991  -5.332 -13.498
  486   1HB   TRP  69          2HB       TRP  69   2.795  -5.662 -10.611
  487   2HB   TRP  69          1HB       TRP  69   1.436  -4.679 -11.124
  488    HD1  TRP  69           HD       TRP  69   1.021  -7.487 -13.328
  489    HE1  TRP  69           1HE      TRP  69  -0.537  -9.265 -12.285
  490    HE3  TRP  69           3HE      TRP  69   1.208  -5.944  -8.536
  491    HZ2  TRP  69           2HZ      TRP  69  -1.570  -9.891  -9.722
  492    HZ3  TRP  69           3HZ      TRP  69  -0.087  -7.137  -6.812
  493    HH2  TRP  69           HH       TRP  69  -1.446  -9.084  -7.401
  494    H    THR  70           H        THR  70   1.622  -3.090 -13.255
  495    HA   THR  70           HA       THR  70   3.779  -1.477 -12.099
  496    HB   THR  70           HB       THR  70   3.238   0.154 -14.095
  497    HG1  THR  70           1HG      THR  70   2.358  -0.741 -15.832
  498   1HG2  THR  70          1HG2      THR  70   4.950  -2.301 -14.454
  499   2HG2  THR  70          2HG2      THR  70   5.441  -0.794 -13.680
  500   3HG2  THR  70          3HG2      THR  70   5.071  -0.822 -15.404
  501    H    LEU  71           H        LEU  71   3.020   0.167 -10.850
  502    HA   LEU  71           HA       LEU  71   0.115   0.385 -10.669
  503   1HB   LEU  71          2HB       LEU  71   1.413   0.011  -8.604
  504   2HB   LEU  71          1HB       LEU  71   2.250   1.531  -8.864
  505    HG   LEU  71           HG       LEU  71   0.091   2.731  -8.641
  506   1HD1  LEU  71          1HD1      LEU  71  -0.999   0.014  -7.933
  507   2HD1  LEU  71          2HD1      LEU  71  -1.400   0.951  -9.371
  508   3HD1  LEU  71          3HD1      LEU  71  -1.855   1.546  -7.774
  509   1HD2  LEU  71          1HD2      LEU  71  -0.139   2.456  -6.242
  510   2HD2  LEU  71          2HD2      LEU  71   1.564   2.424  -6.704
  511   3HD2  LEU  71          3HD2      LEU  71   0.726   0.921  -6.320
  512    H    GLU  72           H        GLU  72  -0.637   1.673 -12.123
  513    HA   GLU  72           HA       GLU  72   0.597   4.230 -12.743
  514   1HB   GLU  72          2HB       GLU  72  -1.989   3.054 -13.777
  515   2HB   GLU  72          1HB       GLU  72  -1.105   4.412 -14.457
  516   1HG   GLU  72          2HG       GLU  72  -0.100   1.583 -14.319
  517   2HG   GLU  72          1HG       GLU  72  -0.806   2.350 -15.740
  518    HA   PRO  73           HA       PRO  73  -2.221   6.326  -9.896
  519   1HB   PRO  73          2HB       PRO  73  -0.953   8.775 -10.834
  520   2HB   PRO  73          1HB       PRO  73  -0.929   8.069  -9.218
  521   1HG   PRO  73          2HG       PRO  73   1.267   8.173 -10.820
  522   2HG   PRO  73          1HG       PRO  73   1.004   6.900  -9.614
  523   1HD   PRO  73          2HD       PRO  73   0.592   6.818 -12.578
  524   2HD   PRO  73          1HD       PRO  73   1.256   5.574 -11.497
  525    H    ALA  74           H        ALA  74  -4.223   6.483 -10.692
  526    HA   ALA  74           HA       ALA  74  -5.164   8.449 -12.403
  527   1HB   ALA  74          1HB       ALA  74  -4.717   5.829 -13.841
  528   2HB   ALA  74          2HB       ALA  74  -3.863   7.339 -14.162
  529   3HB   ALA  74          3HB       ALA  74  -5.596   7.222 -14.477
  530    HA   PRO  75           HA       PRO  75  -8.544   6.175 -10.400
  531   1HB   PRO  75          2HB       PRO  75 -10.065   8.312  -9.855
  532   2HB   PRO  75          1HB       PRO  75  -8.634   7.930  -8.889
  533   1HG   PRO  75          2HG       PRO  75  -8.964   9.950 -11.072
  534   2HG   PRO  75          1HG       PRO  75  -8.110  10.100  -9.525
  535   1HD   PRO  75          2HD       PRO  75  -6.878   9.578 -11.930
  536   2HD   PRO  75          1HD       PRO  75  -6.210   9.128 -10.348
  537    H    ALA  76           H        ALA  76  -8.250   6.167 -13.182
  538    HA   ALA  76           HA       ALA  76  -9.302   6.173 -15.193
  539   1HB   ALA  76          1HB       ALA  76 -11.767   5.878 -13.480
  540   2HB   ALA  76          2HB       ALA  76 -10.732   4.563 -14.034
  541   3HB   ALA  76          3HB       ALA  76 -11.651   5.511 -15.200
  542    HA   PRO  77           HA       PRO  77 -10.654  10.564 -14.779
  543   1HB   PRO  77          2HB       PRO  77  -8.317  11.784 -15.370
  544   2HB   PRO  77          1HB       PRO  77  -8.671  11.159 -13.759
  545   1HG   PRO  77          2HG       PRO  77  -6.750  10.186 -15.728
  546   2HG   PRO  77          1HG       PRO  77  -6.896   9.773 -14.013
  547   1HD   PRO  77          2HD       PRO  77  -7.895   8.333 -16.362
  548   2HD   PRO  77          1HD       PRO  77  -7.725   7.765 -14.684
  549    H    LYS  78           H        LYS  78 -10.279  12.463 -16.457
  550    HA   LYS  78           HA       LYS  78 -10.684  11.242 -19.078
  551   1HB   LYS  78          2HB       LYS  78 -12.359  12.867 -18.118
  552   2HB   LYS  78          1HB       LYS  78 -11.151  14.129 -18.338
  553   1HG   LYS  78          2HG       LYS  78 -12.809  14.007 -20.171
  554   2HG   LYS  78          1HG       LYS  78 -11.143  13.789 -20.717
  555   1HD   LYS  78          2HD       LYS  78 -12.412  12.129 -21.831
  556   2HD   LYS  78          1HD       LYS  78 -11.558  11.294 -20.532
  557   1HE   LYS  78          2HE       LYS  78 -13.613  11.513 -19.139
  558   2HE   LYS  78          1HE       LYS  78 -14.443  12.166 -20.551
  559   1HZ   LYS  78          1HZ       LYS  78 -14.972   9.924 -20.578
  560   2HZ   LYS  78          2HZ       LYS  78 -13.425   9.433 -20.104
  561   3HZ   LYS  78          3HZ       LYS  78 -13.681  10.006 -21.678
  562    H    GLU  79           H        GLU  79  -8.254  10.869 -18.781
  563    HA   GLU  79           HA       GLU  79  -6.188  11.127 -19.639
  564   1HB   GLU  79          2HB       GLU  79  -7.439  13.206 -21.434
  565   2HB   GLU  79          1HB       GLU  79  -5.938  12.336 -21.718
  566   1HG   GLU  79          2HG       GLU  79  -8.736  11.249 -21.749
  567   2HG   GLU  79          1HG       GLU  79  -7.584  11.336 -23.079
  568    H    ASP  80           H        ASP  80  -4.758  11.922 -18.278
  569    HA   ASP  80           HA       ASP  80  -4.889  14.454 -17.056
  570   1HB   ASP  80          2HB       ASP  80  -2.642  13.995 -16.228
  571   2HB   ASP  80          1HB       ASP  80  -3.644  12.556 -16.088
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1  -8.966 -17.170  -5.842
    2   2H    ALA   1          2HT       ALA   1  -7.953 -17.187  -7.198
    3   3H    ALA   1          3HT       ALA   1  -8.273 -15.731  -6.399
    4    HA   ALA   1           HA       ALA   1  -6.784 -18.031  -5.288
    5   1HB   ALA   1          1HB       ALA   1  -5.831 -15.275  -6.074
    6   2HB   ALA   1          2HB       ALA   1  -5.518 -16.763  -6.966
    7   3HB   ALA   1          3HB       ALA   1  -4.850 -16.548  -5.349
    8    H    GLN   2           H        GLN   2  -6.678 -18.081  -3.101
    9    HA   GLN   2           HA       GLN   2  -8.199 -16.175  -1.618
   10   1HB   GLN   2          2HB       GLN   2  -6.397 -18.420  -0.703
   11   2HB   GLN   2          1HB       GLN   2  -7.366 -17.432   0.384
   12   1HG   GLN   2          2HG       GLN   2  -9.392 -18.158  -0.862
   13   2HG   GLN   2          1HG       GLN   2  -8.370 -19.259  -1.784
   14   1HE2  GLN   2          1HE2      GLN   2  -7.531 -21.079  -0.778
   15   2HE2  GLN   2          2HE2      GLN   2  -8.127 -21.652   0.743
   16    H    VAL   3           H        VAL   3  -7.584 -14.449  -0.529
   17    HA   VAL   3           HA       VAL   3  -4.725 -13.807  -0.360
   18    HB   VAL   3           HB       VAL   3  -6.824 -11.866  -1.365
   19   1HG1  VAL   3          1HG1      VAL   3  -4.919 -10.420  -1.872
   20   2HG1  VAL   3          2HG1      VAL   3  -3.827 -11.614  -1.175
   21   3HG1  VAL   3          3HG1      VAL   3  -5.007 -10.797  -0.151
   22   1HG2  VAL   3          1HG2      VAL   3  -5.754 -12.022  -3.547
   23   2HG2  VAL   3          2HG2      VAL   3  -6.375 -13.595  -3.040
   24   3HG2  VAL   3          3HG2      VAL   3  -4.648 -13.251  -2.929
   25    H    ASN   4           H        ASN   4  -4.192 -12.424   1.382
   26    HA   ASN   4           HA       ASN   4  -6.406 -11.741   3.150
   27   1HB   ASN   4          2HB       ASN   4  -4.998 -12.353   5.128
   28   2HB   ASN   4          1HB       ASN   4  -5.515 -13.723   4.160
   29   1HD2  ASN   4          1HD2      ASN   4  -3.988 -14.836   2.924
   30   2HD2  ASN   4          2HD2      ASN   4  -2.290 -14.709   3.249
   31    H    ILE   5           H        ILE   5  -6.419  -9.645   2.830
   32    HA   ILE   5           HA       ILE   5  -3.871  -8.182   2.903
   33    HB   ILE   5           HB       ILE   5  -6.576  -7.244   1.926
   34   1HG1  ILE   5          2HG1      ILE   5  -5.558  -8.912   0.438
   35   2HG1  ILE   5          1HG1      ILE   5  -5.565  -7.318  -0.311
   36   1HG2  ILE   5          1HG2      ILE   5  -5.227  -5.427   2.866
   37   2HG2  ILE   5          2HG2      ILE   5  -5.393  -5.270   1.117
   38   3HG2  ILE   5          3HG2      ILE   5  -3.888  -5.877   1.807
   39   1HD1  ILE   5          1HD1      ILE   5  -3.207  -7.043   0.243
   40   2HD1  ILE   5          2HD1      ILE   5  -3.479  -8.488  -0.729
   41   3HD1  ILE   5          3HD1      ILE   5  -3.199  -8.634   1.007
   42    H    ALA   6           H        ALA   6  -3.380  -7.417   4.818
   43    HA   ALA   6           HA       ALA   6  -5.378  -7.107   6.888
   44   1HB   ALA   6          1HB       ALA   6  -3.222  -8.095   7.457
   45   2HB   ALA   6          2HB       ALA   6  -3.445  -6.571   8.320
   46   3HB   ALA   6          3HB       ALA   6  -2.392  -6.641   6.907
   47    HA   PRO   7           HA       PRO   7  -5.887  -2.635   6.432
   48   1HB   PRO   7          2HB       PRO   7  -5.850  -2.085   9.175
   49   2HB   PRO   7          1HB       PRO   7  -7.291  -2.446   8.223
   50   1HG   PRO   7          2HG       PRO   7  -5.685  -4.236   9.981
   51   2HG   PRO   7          1HG       PRO   7  -7.435  -4.204   9.703
   52   1HD   PRO   7          2HD       PRO   7  -5.867  -6.078   8.593
   53   2HD   PRO   7          1HD       PRO   7  -7.270  -5.412   7.731
   54    H    GLY   8           H        GLY   8  -4.326  -0.977   6.305
   55   1HA   GLY   8          2HA       GLY   8  -2.111  -0.397   7.570
   56   2HA   GLY   8          1HA       GLY   8  -1.654  -1.966   6.907
   57    H    SER   9           H        SER   9  -0.037  -0.255   5.945
   58    HA   SER   9           HA       SER   9  -0.949   1.446   3.868
   59   1HB   SER   9          2HB       SER   9   1.277   1.578   5.083
   60   2HB   SER   9          1HB       SER   9   1.803   0.207   4.106
   61    HG   SER   9           HG       SER   9   0.988   2.771   3.194
   62    H    LEU  10           H        LEU  10  -1.145   1.125   1.663
   63    HA   LEU  10           HA       LEU  10  -1.765  -1.417   0.685
   64   1HB   LEU  10          2HB       LEU  10  -1.275   1.266  -0.497
   65   2HB   LEU  10          1HB       LEU  10  -1.224  -0.110  -1.578
   66    HG   LEU  10           HG       LEU  10  -3.569   0.563   0.199
   67   1HD1  LEU  10          1HD1      LEU  10  -3.248   2.293  -1.480
   68   2HD1  LEU  10          2HD1      LEU  10  -4.665   1.313  -1.858
   69   3HD1  LEU  10          3HD1      LEU  10  -3.159   1.070  -2.746
   70   1HD2  LEU  10          1HD2      LEU  10  -3.252  -1.400  -2.071
   71   2HD2  LEU  10          2HD2      LEU  10  -4.752  -1.057  -1.206
   72   3HD2  LEU  10          3HD2      LEU  10  -3.397  -1.802  -0.359
   73    H    ASP  11           H        ASP  11   1.218   0.362   0.849
   74    HA   ASP  11           HA       ASP  11   2.930  -0.989  -0.793
   75   1HB   ASP  11          2HB       ASP  11   3.656   0.864   0.595
   76   2HB   ASP  11          1HB       ASP  11   3.408  -0.084   2.056
   77    H    LYS  12           H        LYS  12   2.123  -1.938   2.555
   78    HA   LYS  12           HA       LYS  12   3.537  -4.375   2.479
   79   1HB   LYS  12          2HB       LYS  12   2.963  -3.237   4.572
   80   2HB   LYS  12          1HB       LYS  12   1.252  -3.479   4.247
   81   1HG   LYS  12          2HG       LYS  12   1.613  -5.919   4.364
   82   2HG   LYS  12          1HG       LYS  12   3.297  -5.618   4.795
   83   1HD   LYS  12          2HD       LYS  12   0.917  -4.624   6.357
   84   2HD   LYS  12          1HD       LYS  12   1.845  -6.069   6.753
   85   1HE   LYS  12          2HE       LYS  12   3.005  -3.293   6.570
   86   2HE   LYS  12          1HE       LYS  12   2.482  -4.051   8.073
   87   1HZ   LYS  12          1HZ       LYS  12   4.895  -4.231   7.637
   88   2HZ   LYS  12          2HZ       LYS  12   4.564  -5.178   6.274
   89   3HZ   LYS  12          3HZ       LYS  12   4.136  -5.738   7.818
   90    H    ALA  13           H        ALA  13   0.283  -3.444   1.555
   91    HA   ALA  13           HA       ALA  13  -0.884  -6.024   1.627
   92   1HB   ALA  13          1HB       ALA  13  -2.202  -3.956   1.692
   93   2HB   ALA  13          2HB       ALA  13  -2.700  -5.010   0.369
   94   3HB   ALA  13          3HB       ALA  13  -1.705  -3.593   0.039
   95    H    LEU  14           H        LEU  14   0.044  -4.000  -1.179
   96    HA   LEU  14           HA       LEU  14  -0.145  -5.977  -3.107
   97   1HB   LEU  14          2HB       LEU  14   1.749  -3.626  -3.017
   98   2HB   LEU  14          1HB       LEU  14   1.361  -4.553  -4.452
   99    HG   LEU  14           HG       LEU  14  -0.598  -2.886  -2.868
  100   1HD1  LEU  14          1HD1      LEU  14   1.042  -1.540  -4.086
  101   2HD1  LEU  14          2HD1      LEU  14  -0.565  -1.401  -4.795
  102   3HD1  LEU  14          3HD1      LEU  14   0.654  -2.411  -5.570
  103   1HD2  LEU  14          1HD2      LEU  14  -2.142  -3.332  -4.690
  104   2HD2  LEU  14          2HD2      LEU  14  -1.633  -4.838  -3.931
  105   3HD2  LEU  14          3HD2      LEU  14  -0.943  -4.356  -5.480
  106    H    ASN  15           H        ASN  15   2.573  -5.141  -1.016
  107    HA   ASN  15           HA       ASN  15   4.522  -6.777  -2.186
  108   1HB   ASN  15          2HB       ASN  15   5.005  -5.043  -0.486
  109   2HB   ASN  15          1HB       ASN  15   4.221  -6.037   0.736
  110   1HD2  ASN  15          1HD2      ASN  15   6.079  -6.158   1.970
  111   2HD2  ASN  15          2HD2      ASN  15   7.435  -7.130   1.510
  112    H    GLN  16           H        GLN  16   1.975  -7.495   0.153
  113    HA   GLN  16           HA       GLN  16   2.776 -10.081   0.852
  114   1HB   GLN  16          2HB       GLN  16   1.058  -8.880   2.092
  115   2HB   GLN  16          1HB       GLN  16   0.005  -8.876   0.686
  116   1HG   GLN  16          2HG       GLN  16   0.925 -11.461   1.874
  117   2HG   GLN  16          1HG       GLN  16  -0.410 -10.568   2.599
  118   1HE2  GLN  16          1HE2      GLN  16  -0.313 -13.189   1.241
  119   2HE2  GLN  16          2HE2      GLN  16  -1.473 -13.097  -0.044
  120    H    TYR  17           H        TYR  17   0.656  -8.957  -1.815
  121    HA   TYR  17           HA       TYR  17   0.010 -11.596  -2.675
  122   1HB   TYR  17          2HB       TYR  17  -1.252  -9.379  -3.106
  123   2HB   TYR  17          1HB       TYR  17  -0.076  -9.113  -4.382
  124    HD1  TYR  17           1HD      TYR  17   0.184 -11.367  -5.953
  125    HD2  TYR  17           2HD      TYR  17  -3.291 -10.184  -3.794
  126    HE1  TYR  17           1HE      TYR  17  -1.216 -12.663  -7.500
  127    HE2  TYR  17           2HE      TYR  17  -4.697 -11.477  -5.337
  128    HH   TYR  17           HH       TYR  17  -3.379 -13.710  -7.583
  129    H    ALA  18           H        ALA  18   2.308  -9.096  -3.703
  130    HA   ALA  18           HA       ALA  18   3.521 -10.329  -5.837
  131   1HB   ALA  18          1HB       ALA  18   5.473  -8.966  -5.363
  132   2HB   ALA  18          2HB       ALA  18   4.891  -8.672  -3.724
  133   3HB   ALA  18          3HB       ALA  18   3.994  -8.038  -5.104
  134    H    ALA  19           H        ALA  19   4.452 -10.629  -2.415
  135    HA   ALA  19           HA       ALA  19   6.585 -12.415  -2.804
  136   1HB   ALA  19          1HB       ALA  19   6.266 -11.153  -0.741
  137   2HB   ALA  19          2HB       ALA  19   6.394 -12.882  -0.414
  138   3HB   ALA  19          3HB       ALA  19   4.817 -12.091  -0.381
  139    H    HIS  20           H        HIS  20   3.164 -12.922  -2.742
  140    HA   HIS  20           HA       HIS  20   3.117 -15.637  -2.008
  141   1HB   HIS  20          2HB       HIS  20   1.135 -14.175  -1.962
  142   2HB   HIS  20          1HB       HIS  20   1.141 -14.118  -3.719
  143    HD1  HIS  20           1HD      HIS  20   0.515 -16.499  -0.856
  144    HD2  HIS  20           2HD      HIS  20  -0.085 -16.246  -4.967
  145    HE1  HIS  20           1HE      HIS  20  -0.979 -18.438  -1.447
  146    HE2  HIS  20           2HE      HIS  20  -1.197 -18.358  -3.960
  147    H    SER  21           H        SER  21   3.087 -14.140  -5.283
  148    HA   SER  21           HA       SER  21   3.471 -16.818  -6.400
  149   1HB   SER  21          2HB       SER  21   1.657 -15.491  -7.369
  150   2HB   SER  21          1HB       SER  21   2.788 -14.202  -7.766
  151    HG   SER  21           HG       SER  21   2.439 -16.716  -8.962
  152    H    GLY  22           H        GLY  22   5.221 -14.032  -5.622
  153   1HA   GLY  22          2HA       GLY  22   7.463 -13.549  -5.860
  154   2HA   GLY  22          1HA       GLY  22   7.658 -15.095  -6.667
  155    H    PHE  23           H        PHE  23   5.769 -12.183  -7.476
  156    HA   PHE  23           HA       PHE  23   7.105 -12.219 -10.098
  157   1HB   PHE  23          2HB       PHE  23   5.091 -10.984 -10.936
  158   2HB   PHE  23          1HB       PHE  23   4.748 -12.619 -10.392
  159    HD1  PHE  23           1HD      PHE  23   3.209 -13.032  -8.681
  160    HD2  PHE  23           2HD      PHE  23   4.497  -9.056  -9.464
  161    HE1  PHE  23           1HE      PHE  23   1.456 -12.176  -7.190
  162    HE2  PHE  23           2HE      PHE  23   2.748  -8.192  -7.973
  163    HZ   PHE  23           HZ       PHE  23   1.225  -9.753  -6.833
  164    H    THR  24           H        THR  24   7.171  -9.994 -11.132
  165    HA   THR  24           HA       THR  24   8.364  -8.194  -9.184
  166    HB   THR  24           HB       THR  24   8.353  -7.891 -12.189
  167    HG1  THR  24           1HG      THR  24  10.027  -9.403 -10.453
  168   1HG2  THR  24          1HG2      THR  24  10.347  -6.541 -11.797
  169   2HG2  THR  24          2HG2      THR  24  10.230  -6.841 -10.062
  170   3HG2  THR  24          3HG2      THR  24   8.984  -5.894 -10.879
  171    H    LEU  25           H        LEU  25   7.010  -6.835  -8.245
  172    HA   LEU  25           HA       LEU  25   4.804  -5.648  -9.750
  173   1HB   LEU  25          2HB       LEU  25   4.855  -6.578  -7.257
  174   2HB   LEU  25          1HB       LEU  25   5.385  -4.942  -6.922
  175    HG   LEU  25           HG       LEU  25   2.842  -5.570  -8.418
  176   1HD1  LEU  25          1HD1      LEU  25   1.675  -5.194  -6.333
  177   2HD1  LEU  25          2HD1      LEU  25   3.210  -4.985  -5.493
  178   3HD1  LEU  25          3HD1      LEU  25   2.790  -6.553  -6.185
  179   1HD2  LEU  25          1HD2      LEU  25   3.768  -3.075  -6.993
  180   2HD2  LEU  25          2HD2      LEU  25   2.239  -3.285  -7.849
  181   3HD2  LEU  25          3HD2      LEU  25   3.761  -3.309  -8.742
  182    H    SER  26           H        SER  26   4.895  -3.611 -10.515
  183    HA   SER  26           HA       SER  26   7.332  -2.075  -9.943
  184   1HB   SER  26          2HB       SER  26   6.975  -2.657 -12.314
  185   2HB   SER  26          1HB       SER  26   5.424  -1.816 -12.283
  186    HG   SER  26           HG       SER  26   7.832  -0.511 -11.563
  187    H    VAL  27           H        VAL  27   6.864  -0.872  -8.200
  188    HA   VAL  27           HA       VAL  27   4.889   1.226  -8.547
  189    HB   VAL  27           HB       VAL  27   3.603  -0.479  -7.372
  190   1HG1  VAL  27          1HG1      VAL  27   5.431  -1.718  -6.349
  191   2HG1  VAL  27          2HG1      VAL  27   4.227  -1.259  -5.146
  192   3HG1  VAL  27          3HG1      VAL  27   5.748  -0.373  -5.256
  193   1HG2  VAL  27          1HG2      VAL  27   2.949   0.816  -5.390
  194   2HG2  VAL  27          2HG2      VAL  27   3.150   1.836  -6.816
  195   3HG2  VAL  27          3HG2      VAL  27   4.400   1.804  -5.571
  196    H    ASP  28           H        ASP  28   5.615   3.117  -7.808
  197    HA   ASP  28           HA       ASP  28   8.109   3.131  -6.277
  198   1HB   ASP  28          2HB       ASP  28   6.716   5.254  -7.910
  199   2HB   ASP  28          1HB       ASP  28   8.089   5.609  -6.868
  200    H    ALA  29           H        ALA  29   8.302   3.991  -4.325
  201    HA   ALA  29           HA       ALA  29   6.151   3.840  -2.576
  202   1HB   ALA  29          1HB       ALA  29   7.669   4.713  -0.889
  203   2HB   ALA  29          2HB       ALA  29   8.780   5.248  -2.149
  204   3HB   ALA  29          3HB       ALA  29   8.478   3.528  -1.914
  205    H    SER  30           H        SER  30   7.146   6.500  -4.513
  206    HA   SER  30           HA       SER  30   6.239   8.612  -2.854
  207   1HB   SER  30          2HB       SER  30   6.537   8.629  -5.864
  208   2HB   SER  30          1HB       SER  30   6.567  10.023  -4.781
  209    HG   SER  30           HG       SER  30   8.673   9.280  -5.445
  210    H    LEU  31           H        LEU  31   4.602   6.304  -4.710
  211    HA   LEU  31           HA       LEU  31   2.233   7.987  -5.059
  212   1HB   LEU  31          2HB       LEU  31   2.814   5.174  -5.995
  213   2HB   LEU  31          1HB       LEU  31   1.376   6.095  -6.379
  214    HG   LEU  31           HG       LEU  31   4.181   6.815  -7.228
  215   1HD1  LEU  31          1HD1      LEU  31   3.356   4.830  -8.366
  216   2HD1  LEU  31          2HD1      LEU  31   3.422   6.205  -9.468
  217   3HD1  LEU  31          3HD1      LEU  31   1.875   5.681  -8.803
  218   1HD2  LEU  31          1HD2      LEU  31   2.749   8.776  -6.910
  219   2HD2  LEU  31          2HD2      LEU  31   1.533   8.056  -7.966
  220   3HD2  LEU  31          3HD2      LEU  31   3.110   8.504  -8.616
  221    H    THR  32           H        THR  32   3.529   5.525  -3.051
  222    HA   THR  32           HA       THR  32   0.866   4.867  -1.988
  223    HB   THR  32           HB       THR  32   2.143   2.880  -0.968
  224    HG1  THR  32           1HG      THR  32   4.236   3.015  -1.315
  225   1HG2  THR  32          1HG2      THR  32   1.833   3.106  -3.965
  226   2HG2  THR  32          2HG2      THR  32   0.585   2.621  -2.818
  227   3HG2  THR  32          3HG2      THR  32   1.996   1.596  -3.069
  228    H    ARG  33           H        ARG  33   3.228   6.951  -1.299
  229    HA   ARG  33           HA       ARG  33   3.923   6.427   1.364
  230   1HB   ARG  33          2HB       ARG  33   4.373   8.931   1.408
  231   2HB   ARG  33          1HB       ARG  33   5.262   7.982   0.232
  232   1HG   ARG  33          2HG       ARG  33   3.958   8.778  -1.547
  233   2HG   ARG  33          1HG       ARG  33   2.732   9.433  -0.461
  234   1HD   ARG  33          2HD       ARG  33   4.169  11.175  -1.429
  235   2HD   ARG  33          1HD       ARG  33   4.270  11.111   0.329
  236    HE   ARG  33           HE       ARG  33   6.335   9.529  -0.706
  237   1HH1  ARG  33          1HH1      ARG  33   5.331  12.880  -0.633
  238   2HH1  ARG  33          2HH1      ARG  33   6.953  13.510  -0.719
  239   1HH2  ARG  33          1HH2      ARG  33   8.479  10.333  -0.820
  240   2HH2  ARG  33          2HH2      ARG  33   8.751  12.055  -0.810
  241    H    GLY  34           H        GLY  34   2.464   6.112   2.893
  242   1HA   GLY  34          2HA       GLY  34   0.936   6.809   4.507
  243   2HA   GLY  34          1HA       GLY  34   0.640   8.267   3.568
  244    H    LYS  35           H        LYS  35   0.495   5.648   1.550
  245    HA   LYS  35           HA       LYS  35  -2.383   5.884   1.340
  246   1HB   LYS  35          2HB       LYS  35  -0.719   5.755  -0.618
  247   2HB   LYS  35          1HB       LYS  35  -0.610   4.038  -0.254
  248   1HG   LYS  35          2HG       LYS  35  -2.178   4.290  -2.015
  249   2HG   LYS  35          1HG       LYS  35  -3.091   3.905  -0.552
  250   1HD   LYS  35          2HD       LYS  35  -3.598   6.280  -0.244
  251   2HD   LYS  35          1HD       LYS  35  -2.679   6.660  -1.702
  252   1HE   LYS  35          2HE       LYS  35  -5.150   4.930  -1.587
  253   2HE   LYS  35          1HE       LYS  35  -5.100   6.613  -2.113
  254   1HZ   LYS  35          1HZ       LYS  35  -3.584   5.958  -3.891
  255   2HZ   LYS  35          2HZ       LYS  35  -5.072   5.149  -4.003
  256   3HZ   LYS  35          3HZ       LYS  35  -3.713   4.337  -3.412
  257    H    GLN  36           H        GLN  36  -3.531   4.746   2.830
  258    HA   GLN  36           HA       GLN  36  -2.555   2.086   3.605
  259   1HB   GLN  36          2HB       GLN  36  -2.834   3.621   5.463
  260   2HB   GLN  36          1HB       GLN  36  -4.456   4.033   4.929
  261   1HG   GLN  36          2HG       GLN  36  -5.160   1.715   5.379
  262   2HG   GLN  36          1HG       GLN  36  -3.544   1.370   5.993
  263   1HE2  GLN  36          1HE2      GLN  36  -4.316   0.847   8.016
  264   2HE2  GLN  36          2HE2      GLN  36  -4.893   2.038   9.125
  265    H    SER  37           H        SER  37  -4.084   0.326   3.664
  266    HA   SER  37           HA       SER  37  -6.651   0.863   2.347
  267   1HB   SER  37          2HB       SER  37  -4.986  -0.500   0.958
  268   2HB   SER  37          1HB       SER  37  -5.111  -1.740   2.202
  269    HG   SER  37           HG       SER  37  -6.931  -0.991   0.251
  270    H    ASN  38           H        ASN  38  -8.378   0.177   3.492
  271    HA   ASN  38           HA       ASN  38  -8.085  -0.559   6.190
  272   1HB   ASN  38          2HB       ASN  38 -10.429  -0.455   4.328
  273   2HB   ASN  38          1HB       ASN  38 -10.610  -1.103   5.955
  274   1HD2  ASN  38          1HD2      ASN  38  -8.370   1.479   5.185
  275   2HD2  ASN  38          2HD2      ASN  38  -9.228   2.724   6.036
  276    H    GLY  39           H        GLY  39  -8.133  -2.476   3.353
  277   1HA   GLY  39          2HA       GLY  39  -6.943  -4.638   3.842
  278   2HA   GLY  39          1HA       GLY  39  -8.173  -4.879   5.071
  279    H    LEU  40           H        LEU  40  -8.016  -6.922   3.465
  280    HA   LEU  40           HA       LEU  40 -10.449  -6.903   1.978
  281   1HB   LEU  40          2HB       LEU  40  -8.898  -5.919   0.309
  282   2HB   LEU  40          1HB       LEU  40  -7.852  -7.317   0.478
  283    HG   LEU  40           HG       LEU  40  -9.735  -8.742  -0.353
  284   1HD1  LEU  40          1HD1      LEU  40 -11.569  -7.253   0.236
  285   2HD1  LEU  40          2HD1      LEU  40 -11.597  -7.642  -1.485
  286   3HD1  LEU  40          3HD1      LEU  40 -11.001  -6.072  -0.944
  287   1HD2  LEU  40          1HD2      LEU  40  -7.918  -7.981  -1.826
  288   2HD2  LEU  40          2HD2      LEU  40  -8.852  -6.536  -2.216
  289   3HD2  LEU  40          3HD2      LEU  40  -9.450  -8.128  -2.687
  290    H    HIS  41           H        HIS  41 -11.299  -8.942   2.254
  291    HA   HIS  41           HA       HIS  41  -9.394 -11.170   2.514
  292   1HB   HIS  41          2HB       HIS  41 -11.650 -10.625   4.459
  293   2HB   HIS  41          1HB       HIS  41 -10.661 -12.082   4.440
  294    HD1  HIS  41           1HD      HIS  41 -10.855  -8.770   5.881
  295    HD2  HIS  41           2HD      HIS  41  -7.832 -11.496   5.020
  296    HE1  HIS  41           1HE      HIS  41  -8.860  -8.021   7.226
  297    HE2  HIS  41           2HE      HIS  41  -7.094  -9.770   6.812
  298    H    GLY  42           H        GLY  42  -9.955 -12.073   0.598
  299   1HA   GLY  42          2HA       GLY  42 -12.253 -13.761   0.646
  300   2HA   GLY  42          1HA       GLY  42 -12.443 -12.455  -0.519
  301    H    ASP  43           H        ASP  43 -12.509 -14.883  -1.574
  302    HA   ASP  43           HA       ASP  43  -9.898 -15.529  -2.636
  303   1HB   ASP  43          2HB       ASP  43 -11.480 -17.349  -2.448
  304   2HB   ASP  43          1HB       ASP  43 -12.672 -16.472  -3.400
  305    H    TYR  44           H        TYR  44  -9.204 -13.610  -3.506
  306    HA   TYR  44           HA       TYR  44 -10.746 -12.539  -5.769
  307   1HB   TYR  44          2HB       TYR  44  -8.824 -11.248  -3.846
  308   2HB   TYR  44          1HB       TYR  44  -9.170 -10.516  -5.409
  309    HD1  TYR  44           1HD      TYR  44 -10.467 -11.253  -2.077
  310    HD2  TYR  44           2HD      TYR  44 -11.395  -9.624  -5.893
  311    HE1  TYR  44           1HE      TYR  44 -12.476 -10.200  -1.133
  312    HE2  TYR  44           2HE      TYR  44 -13.405  -8.562  -4.962
  313    HH   TYR  44           HH       TYR  44 -14.964  -9.023  -2.958
  314    H    ASP  45           H        ASP  45  -9.938 -12.784  -7.735
  315    HA   ASP  45           HA       ASP  45  -7.262 -13.820  -8.073
  316   1HB   ASP  45          2HB       ASP  45  -9.350 -13.052 -10.126
  317   2HB   ASP  45          1HB       ASP  45  -7.815 -13.833 -10.490
  318    H    VAL  46           H        VAL  46  -6.143 -12.670 -10.149
  319    HA   VAL  46           HA       VAL  46  -4.799 -10.585  -8.977
  320    HB   VAL  46           HB       VAL  46  -5.032 -11.016 -11.955
  321   1HG1  VAL  46          1HG1      VAL  46  -2.816  -9.819 -10.293
  322   2HG1  VAL  46          2HG1      VAL  46  -3.921  -8.932 -11.344
  323   3HG1  VAL  46          3HG1      VAL  46  -2.776 -10.081 -12.038
  324   1HG2  VAL  46          1HG2      VAL  46  -3.179 -12.333  -9.972
  325   2HG2  VAL  46          2HG2      VAL  46  -3.109 -12.512 -11.724
  326   3HG2  VAL  46          3HG2      VAL  46  -4.506 -13.111 -10.831
  327    H    GLU  47           H        GLU  47  -6.812 -10.080 -11.896
  328    HA   GLU  47           HA       GLU  47  -6.765  -7.319 -11.780
  329   1HB   GLU  47          2HB       GLU  47  -8.995  -9.003 -12.919
  330   2HB   GLU  47          1HB       GLU  47  -8.633  -7.336 -13.334
  331   1HG   GLU  47          2HG       GLU  47  -7.703  -8.449 -15.099
  332   2HG   GLU  47          1HG       GLU  47  -6.314  -8.305 -14.024
  333    H    SER  48           H        SER  48  -9.153  -9.518 -10.316
  334    HA   SER  48           HA       SER  48 -11.032  -7.419  -9.802
  335   1HB   SER  48          2HB       SER  48 -11.691  -9.789 -10.208
  336   2HB   SER  48          1HB       SER  48 -10.956 -10.226  -8.667
  337    HG   SER  48           HG       SER  48 -12.957  -9.863  -8.032
  338    H    GLY  49           H        GLY  49  -8.463  -8.992  -8.018
  339   1HA   GLY  49          2HA       GLY  49  -9.375  -8.079  -5.436
  340   2HA   GLY  49          1HA       GLY  49  -7.843  -8.871  -5.784
  341    H    LEU  50           H        LEU  50  -6.981  -7.108  -7.814
  342    HA   LEU  50           HA       LEU  50  -5.736  -5.109  -6.234
  343   1HB   LEU  50          2HB       LEU  50  -5.917  -5.423  -9.229
  344   2HB   LEU  50          1HB       LEU  50  -4.853  -4.301  -8.405
  345    HG   LEU  50           HG       LEU  50  -4.731  -7.311  -8.200
  346   1HD1  LEU  50          1HD1      LEU  50  -4.001  -6.485 -10.368
  347   2HD1  LEU  50          2HD1      LEU  50  -2.634  -7.081  -9.425
  348   3HD1  LEU  50          3HD1      LEU  50  -2.911  -5.344  -9.578
  349   1HD2  LEU  50          1HD2      LEU  50  -4.046  -6.227  -6.127
  350   2HD2  LEU  50          2HD2      LEU  50  -2.940  -5.186  -7.023
  351   3HD2  LEU  50          3HD2      LEU  50  -2.658  -6.926  -6.959
  352    H    GLN  51           H        GLN  51  -8.404  -5.110  -8.518
  353    HA   GLN  51           HA       GLN  51  -8.796  -2.363  -8.776
  354   1HB   GLN  51          2HB       GLN  51  -9.880  -4.071 -10.187
  355   2HB   GLN  51          1HB       GLN  51 -10.872  -4.559  -8.821
  356   1HG   GLN  51          2HG       GLN  51 -11.987  -2.438  -8.800
  357   2HG   GLN  51          1HG       GLN  51 -10.900  -1.806 -10.037
  358   1HE2  GLN  51          1HE2      GLN  51 -13.604  -3.887  -9.382
  359   2HE2  GLN  51          2HE2      GLN  51 -14.073  -4.130 -11.030
  360    H    GLN  52           H        GLN  52 -10.022  -4.632  -6.356
  361    HA   GLN  52           HA       GLN  52 -11.733  -2.790  -5.049
  362   1HB   GLN  52          2HB       GLN  52 -11.880  -5.267  -4.836
  363   2HB   GLN  52          1HB       GLN  52 -10.394  -5.245  -3.900
  364   1HG   GLN  52          2HG       GLN  52 -12.217  -5.408  -2.384
  365   2HG   GLN  52          1HG       GLN  52 -11.536  -3.788  -2.238
  366   1HE2  GLN  52          1HE2      GLN  52 -14.255  -5.675  -3.273
  367   2HE2  GLN  52          2HE2      GLN  52 -15.341  -4.350  -3.511
  368    H    LEU  53           H        LEU  53  -8.400  -3.834  -4.435
  369    HA   LEU  53           HA       LEU  53  -7.975  -2.589  -1.990
  370   1HB   LEU  53          2HB       LEU  53  -6.045  -3.200  -4.219
  371   2HB   LEU  53          1HB       LEU  53  -5.547  -2.636  -2.635
  372    HG   LEU  53           HG       LEU  53  -7.045  -5.200  -3.175
  373   1HD1  LEU  53          1HD1      LEU  53  -4.155  -4.700  -2.478
  374   2HD1  LEU  53          2HD1      LEU  53  -4.771  -5.311  -4.014
  375   3HD1  LEU  53          3HD1      LEU  53  -4.929  -6.284  -2.550
  376   1HD2  LEU  53          1HD2      LEU  53  -5.839  -4.101  -0.638
  377   2HD2  LEU  53          2HD2      LEU  53  -6.568  -5.696  -0.828
  378   3HD2  LEU  53          3HD2      LEU  53  -7.561  -4.247  -0.992
  379    H    LEU  54           H        LEU  54  -7.920  -1.180  -5.189
  380    HA   LEU  54           HA       LEU  54  -6.546   1.197  -4.219
  381   1HB   LEU  54          2HB       LEU  54  -7.396   0.289  -6.947
  382   2HB   LEU  54          1HB       LEU  54  -6.754   1.891  -6.648
  383    HG   LEU  54           HG       LEU  54  -5.304  -0.707  -6.132
  384   1HD1  LEU  54          1HD1      LEU  54  -3.887  -0.044  -7.985
  385   2HD1  LEU  54          2HD1      LEU  54  -4.870   1.398  -8.240
  386   3HD1  LEU  54          3HD1      LEU  54  -5.564  -0.202  -8.504
  387   1HD2  LEU  54          1HD2      LEU  54  -4.354   2.146  -5.880
  388   2HD2  LEU  54          2HD2      LEU  54  -3.363   0.701  -5.676
  389   3HD2  LEU  54          3HD2      LEU  54  -4.671   1.039  -4.542
  390    H    ASP  55           H        ASP  55  -9.579   0.320  -3.890
  391    HA   ASP  55           HA       ASP  55 -11.059   2.428  -5.061
  392   1HB   ASP  55          2HB       ASP  55 -12.124   0.369  -4.275
  393   2HB   ASP  55          1HB       ASP  55 -11.695   0.771  -2.614
  394    H    GLY  56           H        GLY  56 -11.503   4.456  -4.386
  395   1HA   GLY  56          2HA       GLY  56 -11.660   6.133  -2.656
  396   2HA   GLY  56          1HA       GLY  56 -10.386   5.290  -1.786
  397    H    SER  57           H        SER  57  -9.616   5.250  -4.995
  398    HA   SER  57           HA       SER  57  -8.478   7.909  -5.138
  399   1HB   SER  57          2HB       SER  57  -6.186   6.950  -5.659
  400   2HB   SER  57          1HB       SER  57  -6.686   6.833  -3.975
  401    HG   SER  57           HG       SER  57  -7.536   4.627  -5.066
  402    H    GLY  58           H        GLY  58  -6.854   7.621  -7.326
  403   1HA   GLY  58          2HA       GLY  58  -8.770   6.623  -9.335
  404   2HA   GLY  58          1HA       GLY  58  -7.882   8.130  -9.517
  405    H    LEU  59           H        LEU  59  -6.469   5.261  -8.154
  406    HA   LEU  59           HA       LEU  59  -4.588   5.183 -10.400
  407   1HB   LEU  59          2HB       LEU  59  -4.399   3.758  -7.742
  408   2HB   LEU  59          1HB       LEU  59  -3.134   3.911  -8.945
  409    HG   LEU  59           HG       LEU  59  -4.264   6.109  -7.219
  410   1HD1  LEU  59          1HD1      LEU  59  -1.522   4.864  -7.381
  411   2HD1  LEU  59          2HD1      LEU  59  -2.706   4.611  -6.099
  412   3HD1  LEU  59          3HD1      LEU  59  -1.993   6.207  -6.336
  413   1HD2  LEU  59          1HD2      LEU  59  -2.183   6.283  -9.394
  414   2HD2  LEU  59          2HD2      LEU  59  -2.646   7.582  -8.295
  415   3HD2  LEU  59          3HD2      LEU  59  -3.812   6.956  -9.463
  416    H    GLN  60           H        GLN  60  -3.818   2.876 -10.974
  417    HA   GLN  60           HA       GLN  60  -5.715   0.798 -10.534
  418   1HB   GLN  60          2HB       GLN  60  -6.763   2.088 -12.420
  419   2HB   GLN  60          1HB       GLN  60  -5.323   1.767 -13.373
  420   1HG   GLN  60          2HG       GLN  60  -5.738  -0.608 -13.282
  421   2HG   GLN  60          1HG       GLN  60  -7.123  -0.350 -12.223
  422   1HE2  GLN  60          1HE2      GLN  60  -9.022   0.515 -13.082
  423   2HE2  GLN  60          2HE2      GLN  60  -9.325   0.534 -14.782
  424    H    VAL  61           H        VAL  61  -4.438  -0.876 -10.208
  425    HA   VAL  61           HA       VAL  61  -1.803  -0.918 -11.470
  426    HB   VAL  61           HB       VAL  61  -1.683  -1.285  -9.110
  427   1HG1  VAL  61          1HG1      VAL  61  -3.659  -3.526  -9.482
  428   2HG1  VAL  61          2HG1      VAL  61  -3.965  -1.981  -8.688
  429   3HG1  VAL  61          3HG1      VAL  61  -2.826  -3.126  -7.980
  430   1HG2  VAL  61          1HG2      VAL  61  -1.333  -3.906 -10.558
  431   2HG2  VAL  61          2HG2      VAL  61  -0.638  -3.505  -8.988
  432   3HG2  VAL  61          3HG2      VAL  61  -0.139  -2.612 -10.427
  433    H    LYS  62           H        LYS  62  -1.290  -2.306 -13.047
  434    HA   LYS  62           HA       LYS  62  -3.384  -4.188 -13.890
  435   1HB   LYS  62          2HB       LYS  62  -1.916  -2.195 -15.631
  436   2HB   LYS  62          1HB       LYS  62  -2.974  -3.463 -16.233
  437   1HG   LYS  62          2HG       LYS  62  -4.883  -2.454 -15.199
  438   2HG   LYS  62          1HG       LYS  62  -3.865  -1.275 -14.370
  439   1HD   LYS  62          2HD       LYS  62  -4.183  -1.516 -17.363
  440   2HD   LYS  62          1HD       LYS  62  -4.975  -0.313 -16.342
  441   1HE   LYS  62          2HE       LYS  62  -2.815   0.581 -15.684
  442   2HE   LYS  62          1HE       LYS  62  -1.995  -0.650 -16.639
  443   1HZ   LYS  62          1HZ       LYS  62  -3.072   0.297 -18.628
  444   2HZ   LYS  62          2HZ       LYS  62  -2.038   1.393 -17.849
  445   3HZ   LYS  62          3HZ       LYS  62  -3.721   1.541 -17.671
  446    HA   PRO  63           HA       PRO  63   0.063  -6.933 -14.438
  447   1HB   PRO  63          2HB       PRO  63  -1.621  -8.428 -16.319
  448   2HB   PRO  63          1HB       PRO  63  -1.004  -8.923 -14.741
  449   1HG   PRO  63          2HG       PRO  63  -3.619  -8.400 -15.178
  450   2HG   PRO  63          1HG       PRO  63  -2.834  -8.091 -13.618
  451   1HD   PRO  63          2HD       PRO  63  -3.520  -6.172 -15.815
  452   2HD   PRO  63          1HD       PRO  63  -3.668  -5.971 -14.054
  453    H    LEU  64           H        LEU  64   1.726  -6.521 -15.703
  454    HA   LEU  64           HA       LEU  64   1.619  -4.914 -17.980
  455   1HB   LEU  64          2HB       LEU  64   3.800  -6.754 -17.011
  456   2HB   LEU  64          1HB       LEU  64   4.008  -5.575 -18.291
  457    HG   LEU  64           HG       LEU  64   3.314  -4.935 -15.422
  458   1HD1  LEU  64          1HD1      LEU  64   5.578  -4.003 -15.327
  459   2HD1  LEU  64          2HD1      LEU  64   5.885  -4.587 -16.962
  460   3HD1  LEU  64          3HD1      LEU  64   5.600  -5.735 -15.654
  461   1HD2  LEU  64          1HD2      LEU  64   3.679  -2.618 -16.076
  462   2HD2  LEU  64          2HD2      LEU  64   2.368  -3.338 -17.014
  463   3HD2  LEU  64          3HD2      LEU  64   3.962  -3.122 -17.741
  464    H    GLY  65           H        GLY  65   1.877  -8.444 -17.700
  465   1HA   GLY  65          2HA       GLY  65   0.448  -9.101 -19.912
  466   2HA   GLY  65          1HA       GLY  65   2.070  -8.816 -20.535
  467    H    ASN  66           H        ASN  66   3.839  -9.974 -19.362
  468    HA   ASN  66           HA       ASN  66   3.419 -12.739 -19.410
  469   1HB   ASN  66          2HB       ASN  66   5.630 -11.724 -19.739
  470   2HB   ASN  66          1HB       ASN  66   5.651 -11.205 -18.057
  471   1HD2  ASN  66          1HD2      ASN  66   5.955 -13.878 -20.243
  472   2HD2  ASN  66          2HD2      ASN  66   6.588 -15.011 -19.093
  473    H    ASN  67           H        ASN  67   4.606 -11.133 -16.485
  474    HA   ASN  67           HA       ASN  67   2.388 -11.879 -14.868
  475   1HB   ASN  67          2HB       ASN  67   3.510 -14.109 -15.137
  476   2HB   ASN  67          1HB       ASN  67   4.948 -13.427 -14.381
  477   1HD2  ASN  67          1HD2      ASN  67   4.874 -14.852 -12.660
  478   2HD2  ASN  67          2HD2      ASN  67   3.680 -14.738 -11.408
  479    H    SER  68           H        SER  68   3.326  -9.452 -15.163
  480    HA   SER  68           HA       SER  68   4.378  -8.859 -12.518
  481   1HB   SER  68          2HB       SER  68   5.546  -7.671 -15.059
  482   2HB   SER  68          1HB       SER  68   6.031  -7.285 -13.407
  483    HG   SER  68           HG       SER  68   6.166  -9.921 -13.700
  484    H    TRP  69           H        TRP  69   4.338  -6.188 -12.505
  485    HA   TRP  69           HA       TRP  69   1.696  -5.472 -13.515
  486   1HB   TRP  69          2HB       TRP  69   2.372  -5.457 -10.569
  487   2HB   TRP  69          1HB       TRP  69   0.926  -4.771 -11.278
  488    HD1  TRP  69           HD       TRP  69   0.923  -7.826 -13.099
  489    HE1  TRP  69           1HE      TRP  69  -0.347  -9.698 -11.859
  490    HE3  TRP  69           3HE      TRP  69   0.865  -5.778  -8.487
  491    HZ2  TRP  69           2HZ      TRP  69  -1.287 -10.199  -9.228
  492    HZ3  TRP  69           3HZ      TRP  69  -0.231  -6.973  -6.634
  493    HH2  TRP  69           HH       TRP  69  -1.287  -9.149  -7.003
  494    H    THR  70           H        THR  70   1.234  -3.148 -13.112
  495    HA   THR  70           HA       THR  70   3.388  -1.594 -11.938
  496    HB   THR  70           HB       THR  70   3.859  -1.714 -14.433
  497    HG1  THR  70           1HG      THR  70   4.692  -0.010 -13.199
  498   1HG2  THR  70          1HG2      THR  70   1.416   0.057 -14.591
  499   2HG2  THR  70          2HG2      THR  70   1.518  -1.594 -15.205
  500   3HG2  THR  70          3HG2      THR  70   2.518  -0.324 -15.915
  501    H    LEU  71           H        LEU  71   2.673   0.370 -11.064
  502    HA   LEU  71           HA       LEU  71  -0.235   0.604 -10.880
  503   1HB   LEU  71          2HB       LEU  71   1.076   0.547  -8.799
  504   2HB   LEU  71          1HB       LEU  71   1.947   1.980  -9.312
  505    HG   LEU  71           HG       LEU  71  -0.185   3.257  -9.251
  506   1HD1  LEU  71          1HD1      LEU  71  -1.726   1.400  -9.609
  507   2HD1  LEU  71          2HD1      LEU  71  -2.123   2.279  -8.132
  508   3HD1  LEU  71          3HD1      LEU  71  -1.292   0.727  -8.038
  509   1HD2  LEU  71          1HD2      LEU  71  -0.342   3.369  -6.811
  510   2HD2  LEU  71          2HD2      LEU  71   1.335   3.296  -7.346
  511   3HD2  LEU  71          3HD2      LEU  71   0.559   1.861  -6.683
  512    H    GLU  72           H        GLU  72  -0.928   1.655 -12.638
  513    HA   GLU  72           HA       GLU  72   0.192   4.313 -13.209
  514   1HB   GLU  72          2HB       GLU  72  -1.723   2.606 -14.806
  515   2HB   GLU  72          1HB       GLU  72  -1.171   4.205 -15.283
  516   1HG   GLU  72          2HG       GLU  72   1.172   3.295 -15.227
  517   2HG   GLU  72          1HG       GLU  72   0.457   1.694 -15.029
  518    HA   PRO  73           HA       PRO  73  -3.524   6.241 -11.574
  519   1HB   PRO  73          2HB       PRO  73  -2.850   8.580 -13.178
  520   2HB   PRO  73          1HB       PRO  73  -2.842   8.402 -11.422
  521   1HG   PRO  73          2HG       PRO  73  -0.573   8.688 -12.888
  522   2HG   PRO  73          1HG       PRO  73  -0.632   7.784 -11.365
  523   1HD   PRO  73          2HD       PRO  73  -0.650   6.760 -14.181
  524   2HD   PRO  73          1HD       PRO  73   0.202   6.125 -12.755
  525    H    ALA  74           H        ALA  74  -5.397   5.628 -12.430
  526    HA   ALA  74           HA       ALA  74  -6.548   6.622 -14.768
  527   1HB   ALA  74          1HB       ALA  74  -4.832   5.273 -15.918
  528   2HB   ALA  74          2HB       ALA  74  -6.466   4.706 -16.263
  529   3HB   ALA  74          3HB       ALA  74  -5.449   3.828 -15.120
  530    HA   PRO  75           HA       PRO  75  -9.322   4.410 -11.862
  531   1HB   PRO  75          2HB       PRO  75 -11.170   6.338 -11.617
  532   2HB   PRO  75          1HB       PRO  75  -9.628   6.425 -10.759
  533   1HG   PRO  75          2HG       PRO  75 -10.481   7.818 -13.264
  534   2HG   PRO  75          1HG       PRO  75  -9.553   8.451 -11.893
  535   1HD   PRO  75          2HD       PRO  75  -8.436   7.599 -14.259
  536   2HD   PRO  75          1HD       PRO  75  -7.579   7.643 -12.705
  537    H    ALA  76           H        ALA  76  -9.235   3.820 -14.606
  538    HA   ALA  76           HA       ALA  76 -10.403   3.271 -16.477
  539   1HB   ALA  76          1HB       ALA  76 -12.651   2.383 -16.182
  540   2HB   ALA  76          2HB       ALA  76 -12.753   3.113 -14.581
  541   3HB   ALA  76          3HB       ALA  76 -11.597   1.816 -14.886
  542    HA   PRO  77           HA       PRO  77 -12.013   7.607 -16.518
  543   1HB   PRO  77          2HB       PRO  77 -10.042   8.779 -17.945
  544   2HB   PRO  77          1HB       PRO  77  -9.928   8.493 -16.210
  545   1HG   PRO  77          2HG       PRO  77  -8.564   7.126 -18.432
  546   2HG   PRO  77          1HG       PRO  77  -8.086   7.271 -16.734
  547   1HD   PRO  77          2HD       PRO  77  -9.327   5.047 -18.018
  548   2HD   PRO  77          1HD       PRO  77  -8.923   5.221 -16.301
  549    H    LYS  78           H        LYS  78 -13.342   8.480 -17.963
  550    HA   LYS  78           HA       LYS  78 -14.496   8.883 -19.867
  551   1HB   LYS  78          2HB       LYS  78 -11.914   8.011 -21.174
  552   2HB   LYS  78          1HB       LYS  78 -13.290   8.661 -22.058
  553   1HG   LYS  78          2HG       LYS  78 -13.109  10.758 -20.873
  554   2HG   LYS  78          1HG       LYS  78 -11.792  10.114 -19.890
  555   1HD   LYS  78          2HD       LYS  78 -10.426   9.844 -21.902
  556   2HD   LYS  78          1HD       LYS  78 -11.744  10.492 -22.882
  557   1HE   LYS  78          2HE       LYS  78 -11.607  12.610 -21.731
  558   2HE   LYS  78          1HE       LYS  78 -10.375  11.973 -20.643
  559   1HZ   LYS  78          1HZ       LYS  78  -9.417  13.321 -22.413
  560   2HZ   LYS  78          2HZ       LYS  78 -10.073  12.284 -23.583
  561   3HZ   LYS  78          3HZ       LYS  78  -8.887  11.714 -22.510
  562    H    GLU  79           H        GLU  79 -14.734   7.536 -22.264
  563    HA   GLU  79           HA       GLU  79 -15.168   4.742 -21.518
  564   1HB   GLU  79          2HB       GLU  79 -17.236   6.192 -21.071
  565   2HB   GLU  79          1HB       GLU  79 -17.362   6.345 -22.819
  566   1HG   GLU  79          2HG       GLU  79 -18.815   4.600 -22.131
  567   2HG   GLU  79          1HG       GLU  79 -17.445   3.863 -22.960
  568    H    ASP  80           H        ASP  80 -13.741   3.953 -22.981
  569    HA   ASP  80           HA       ASP  80 -14.693   3.922 -25.707
  570   1HB   ASP  80          2HB       ASP  80 -12.617   4.510 -26.767
  571   2HB   ASP  80          1HB       ASP  80 -13.060   5.814 -25.678
  Start of MODEL    7
    1   1H    ALA   1          1HT       ALA   1  -8.185 -19.619  -5.050
    2   2H    ALA   1          2HT       ALA   1  -7.906 -20.854  -3.928
    3   3H    ALA   1          3HT       ALA   1  -6.937 -20.736  -5.314
    4    HA   ALA   1           HA       ALA   1  -5.755 -19.923  -3.388
    5   1HB   ALA   1          1HB       ALA   1  -6.568 -17.738  -5.303
    6   2HB   ALA   1          2HB       ALA   1  -5.280 -18.915  -5.557
    7   3HB   ALA   1          3HB       ALA   1  -5.139 -17.723  -4.267
    8    H    GLN   2           H        GLN   2  -5.581 -17.602  -2.201
    9    HA   GLN   2           HA       GLN   2  -8.020 -16.259  -1.708
   10   1HB   GLN   2          2HB       GLN   2  -8.356 -16.721   0.634
   11   2HB   GLN   2          1HB       GLN   2  -8.445 -18.224  -0.269
   12   1HG   GLN   2          2HG       GLN   2  -6.328 -18.928   0.514
   13   2HG   GLN   2          1HG       GLN   2  -5.959 -17.330   1.160
   14   1HE2  GLN   2          1HE2      GLN   2  -9.123 -18.717   1.518
   15   2HE2  GLN   2          2HE2      GLN   2  -9.013 -19.043   3.212
   16    H    VAL   3           H        VAL   3  -7.781 -14.593  -0.045
   17    HA   VAL   3           HA       VAL   3  -4.993 -13.821   0.428
   18    HB   VAL   3           HB       VAL   3  -5.600 -11.441   0.004
   19   1HG1  VAL   3          1HG1      VAL   3  -5.944 -13.299  -2.345
   20   2HG1  VAL   3          2HG1      VAL   3  -4.417 -12.698  -1.695
   21   3HG1  VAL   3          3HG1      VAL   3  -5.558 -11.581  -2.446
   22   1HG2  VAL   3          1HG2      VAL   3  -8.014 -11.605   0.282
   23   2HG2  VAL   3          2HG2      VAL   3  -8.124 -12.612  -1.161
   24   3HG2  VAL   3          3HG2      VAL   3  -7.612 -10.931  -1.298
   25    H    ASN   4           H        ASN   4  -4.635 -12.729   2.350
   26    HA   ASN   4           HA       ASN   4  -6.963 -12.373   4.080
   27   1HB   ASN   4          2HB       ASN   4  -5.601 -13.213   6.015
   28   2HB   ASN   4          1HB       ASN   4  -6.022 -14.451   4.840
   29   1HD2  ASN   4          1HD2      ASN   4  -4.404 -15.303   3.513
   30   2HD2  ASN   4          2HD2      ASN   4  -2.730 -15.158   3.914
   31    H    ILE   5           H        ILE   5  -7.035 -10.245   4.054
   32    HA   ILE   5           HA       ILE   5  -4.615  -8.757   4.796
   33    HB   ILE   5           HB       ILE   5  -6.491  -7.816   2.613
   34   1HG1  ILE   5          2HG1      ILE   5  -3.758  -9.083   2.296
   35   2HG1  ILE   5          1HG1      ILE   5  -5.284  -9.873   1.914
   36   1HG2  ILE   5          1HG2      ILE   5  -4.701  -6.218   2.126
   37   2HG2  ILE   5          2HG2      ILE   5  -3.751  -6.875   3.460
   38   3HG2  ILE   5          3HG2      ILE   5  -5.277  -6.052   3.785
   39   1HD1  ILE   5          1HD1      ILE   5  -5.717  -8.230   0.183
   40   2HD1  ILE   5          2HD1      ILE   5  -4.166  -9.030  -0.079
   41   3HD1  ILE   5          3HD1      ILE   5  -4.215  -7.396   0.583
   42    H    ALA   6           H        ALA   6  -5.154  -6.563   5.579
   43    HA   ALA   6           HA       ALA   6  -7.809  -5.982   6.459
   44   1HB   ALA   6          1HB       ALA   6  -5.795  -7.059   8.447
   45   2HB   ALA   6          2HB       ALA   6  -7.340  -7.791   8.011
   46   3HB   ALA   6          3HB       ALA   6  -7.305  -6.264   8.887
   47    HA   PRO   7           HA       PRO   7  -6.603  -1.751   7.189
   48   1HB   PRO   7          2HB       PRO   7  -5.958  -2.145  10.032
   49   2HB   PRO   7          1HB       PRO   7  -7.134  -1.063   9.286
   50   1HG   PRO   7          2HG       PRO   7  -7.564  -3.671  10.452
   51   2HG   PRO   7          1HG       PRO   7  -8.763  -2.521   9.839
   52   1HD   PRO   7          2HD       PRO   7  -8.241  -4.935   8.668
   53   2HD   PRO   7          1HD       PRO   7  -8.843  -3.526   7.777
   54    H    GLY   8           H        GLY   8  -4.743  -0.889   6.582
   55   1HA   GLY   8          2HA       GLY   8  -2.309  -0.859   7.752
   56   2HA   GLY   8          1HA       GLY   8  -2.295  -2.371   6.843
   57    H    SER   9           H        SER   9  -0.604  -0.107   6.327
   58    HA   SER   9           HA       SER   9  -1.529   1.529   4.250
   59   1HB   SER   9          2HB       SER   9   0.645   1.765   5.549
   60   2HB   SER   9          1HB       SER   9   1.305   0.502   4.511
   61    HG   SER   9           HG       SER   9   0.058   2.557   3.159
   62    H    LEU  10           H        LEU  10  -1.722   1.288   2.078
   63    HA   LEU  10           HA       LEU  10  -2.386  -1.247   1.114
   64   1HB   LEU  10          2HB       LEU  10  -3.330   0.856   0.281
   65   2HB   LEU  10          1HB       LEU  10  -1.769   1.306  -0.378
   66    HG   LEU  10           HG       LEU  10  -1.899  -0.613  -1.936
   67   1HD1  LEU  10          1HD1      LEU  10  -4.056  -1.753  -2.224
   68   2HD1  LEU  10          2HD1      LEU  10  -4.666  -0.935  -0.784
   69   3HD1  LEU  10          3HD1      LEU  10  -3.330  -2.082  -0.650
   70   1HD2  LEU  10          1HD2      LEU  10  -4.237   1.290  -2.028
   71   2HD2  LEU  10          2HD2      LEU  10  -3.615   0.353  -3.389
   72   3HD2  LEU  10          3HD2      LEU  10  -2.615   1.601  -2.645
   73    H    ASP  11           H        ASP  11   0.563   0.608   0.916
   74    HA   ASP  11           HA       ASP  11   2.014  -0.661  -1.021
   75   1HB   ASP  11          2HB       ASP  11   2.835   1.248   0.291
   76   2HB   ASP  11          1HB       ASP  11   3.020   0.205   1.698
   77    H    LYS  12           H        LYS  12   1.931  -1.668   2.421
   78    HA   LYS  12           HA       LYS  12   3.421  -4.026   1.978
   79   1HB   LYS  12          2HB       LYS  12   3.291  -2.923   4.161
   80   2HB   LYS  12          1HB       LYS  12   1.572  -3.274   4.250
   81   1HG   LYS  12          2HG       LYS  12   2.017  -5.639   4.385
   82   2HG   LYS  12          1HG       LYS  12   3.741  -5.360   4.147
   83   1HD   LYS  12          2HD       LYS  12   2.155  -4.254   6.457
   84   2HD   LYS  12          1HD       LYS  12   3.088  -5.748   6.522
   85   1HE   LYS  12          2HE       LYS  12   5.131  -4.574   6.111
   86   2HE   LYS  12          1HE       LYS  12   4.260  -3.075   5.789
   87   1HZ   LYS  12          1HZ       LYS  12   4.272  -4.483   8.403
   88   2HZ   LYS  12          2HZ       LYS  12   3.581  -2.969   8.064
   89   3HZ   LYS  12          3HZ       LYS  12   5.265  -3.160   8.015
   90    H    ALA  13           H        ALA  13   0.045  -3.249   1.646
   91    HA   ALA  13           HA       ALA  13  -1.006  -5.876   1.867
   92   1HB   ALA  13          1HB       ALA  13  -2.997  -4.945   0.782
   93   2HB   ALA  13          2HB       ALA  13  -2.104  -3.471   0.405
   94   3HB   ALA  13          3HB       ALA  13  -2.426  -3.904   2.084
   95    H    LEU  14           H        LEU  14  -0.385  -3.833  -1.012
   96    HA   LEU  14           HA       LEU  14  -0.681  -5.828  -2.918
   97   1HB   LEU  14          2HB       LEU  14   1.114  -3.406  -2.983
   98   2HB   LEU  14          1HB       LEU  14   0.699  -4.380  -4.380
   99    HG   LEU  14           HG       LEU  14  -1.211  -2.722  -2.727
  100   1HD1  LEU  14          1HD1      LEU  14  -0.217  -2.429  -5.559
  101   2HD1  LEU  14          2HD1      LEU  14   0.205  -1.398  -4.191
  102   3HD1  LEU  14          3HD1      LEU  14  -1.453  -1.429  -4.793
  103   1HD2  LEU  14          1HD2      LEU  14  -2.282  -4.777  -3.502
  104   2HD2  LEU  14          2HD2      LEU  14  -1.740  -4.447  -5.148
  105   3HD2  LEU  14          3HD2      LEU  14  -2.902  -3.372  -4.372
  106    H    ASN  15           H        ASN  15   2.144  -4.962  -0.995
  107    HA   ASN  15           HA       ASN  15   4.036  -6.576  -2.300
  108   1HB   ASN  15          2HB       ASN  15   4.602  -4.875  -0.580
  109   2HB   ASN  15          1HB       ASN  15   3.883  -5.905   0.652
  110   1HD2  ASN  15          1HD2      ASN  15   5.835  -7.006  -2.071
  111   2HD2  ASN  15          2HD2      ASN  15   7.152  -7.582  -1.115
  112    H    GLN  16           H        GLN  16   1.736  -7.267   0.300
  113    HA   GLN  16           HA       GLN  16   2.413  -9.900   0.821
  114   1HB   GLN  16          2HB       GLN  16   0.900  -8.841   2.278
  115   2HB   GLN  16          1HB       GLN  16  -0.171  -8.376   0.971
  116   1HG   GLN  16          2HG       GLN  16  -1.148 -10.126   2.328
  117   2HG   GLN  16          1HG       GLN  16  -0.854 -10.693   0.687
  118   1HE2  GLN  16          1HE2      GLN  16  -0.877 -12.831   1.321
  119   2HE2  GLN  16          2HE2      GLN  16   0.421 -13.551   2.211
  120    H    TYR  17           H        TYR  17   0.199  -8.605  -1.695
  121    HA   TYR  17           HA       TYR  17  -0.662 -11.152  -2.577
  122   1HB   TYR  17          2HB       TYR  17  -1.650  -8.778  -3.035
  123   2HB   TYR  17          1HB       TYR  17  -0.524  -8.759  -4.381
  124    HD1  TYR  17           1HD      TYR  17  -0.665 -10.558  -6.125
  125    HD2  TYR  17           2HD      TYR  17  -3.687  -9.997  -3.186
  126    HE1  TYR  17           1HE      TYR  17  -2.254 -11.811  -7.522
  127    HE2  TYR  17           2HE      TYR  17  -5.278 -11.245  -4.572
  128    HH   TYR  17           HH       TYR  17  -4.316 -13.075  -7.289
  129    H    ALA  18           H        ALA  18   1.770  -8.874  -3.686
  130    HA   ALA  18           HA       ALA  18   2.747 -10.129  -5.912
  131   1HB   ALA  18          1HB       ALA  18   3.497  -7.934  -5.139
  132   2HB   ALA  18          2HB       ALA  18   4.856  -8.993  -5.527
  133   3HB   ALA  18          3HB       ALA  18   4.413  -8.706  -3.844
  134    H    ALA  19           H        ALA  19   3.393 -10.955  -2.576
  135    HA   ALA  19           HA       ALA  19   5.487 -12.788  -2.957
  136   1HB   ALA  19          1HB       ALA  19   3.388 -12.792  -0.791
  137   2HB   ALA  19          2HB       ALA  19   4.877 -11.848  -0.777
  138   3HB   ALA  19          3HB       ALA  19   4.951 -13.609  -0.735
  139    H    HIS  20           H        HIS  20   2.249 -13.040  -3.925
  140    HA   HIS  20           HA       HIS  20   1.615 -15.716  -3.636
  141   1HB   HIS  20          2HB       HIS  20   0.717 -13.515  -5.255
  142   2HB   HIS  20          1HB       HIS  20   0.777 -14.978  -6.233
  143    HD1  HIS  20           1HD      HIS  20  -1.950 -14.251  -6.047
  144    HD2  HIS  20           2HD      HIS  20  -0.114 -16.151  -2.855
  145    HE1  HIS  20           1HE      HIS  20  -3.826 -15.185  -4.652
  146    HE2  HIS  20           2HE      HIS  20  -2.676 -16.537  -2.859
  147    H    SER  21           H        SER  21   3.076 -14.269  -6.547
  148    HA   SER  21           HA       SER  21   4.147 -16.932  -7.149
  149   1HB   SER  21          2HB       SER  21   2.515 -16.193  -8.802
  150   2HB   SER  21          1HB       SER  21   3.400 -14.690  -9.040
  151    HG   SER  21           HG       SER  21   4.063 -17.306  -9.842
  152    H    GLY  22           H        GLY  22   4.997 -13.780  -6.293
  153   1HA   GLY  22          2HA       GLY  22   7.071 -12.789  -6.045
  154   2HA   GLY  22          1HA       GLY  22   7.805 -14.248  -6.704
  155    H    PHE  23           H        PHE  23   5.581 -11.733  -7.878
  156    HA   PHE  23           HA       PHE  23   7.046 -11.755 -10.417
  157   1HB   PHE  23          2HB       PHE  23   4.917 -10.382 -11.122
  158   2HB   PHE  23          1HB       PHE  23   4.845 -12.135 -11.009
  159    HD1  PHE  23           1HD      PHE  23   3.350 -13.189  -9.573
  160    HD2  PHE  23           2HD      PHE  23   4.044  -9.008  -9.197
  161    HE1  PHE  23           1HE      PHE  23   1.464 -13.025  -8.006
  162    HE2  PHE  23           2HE      PHE  23   2.160  -8.836  -7.631
  163    HZ   PHE  23           HZ       PHE  23   0.867 -10.845  -7.033
  164    H    THR  24           H        THR  24   7.151  -9.606 -11.535
  165    HA   THR  24           HA       THR  24   8.401  -7.786  -9.655
  166    HB   THR  24           HB       THR  24   8.316  -7.479 -12.652
  167    HG1  THR  24           1HG      THR  24  10.193  -8.769 -12.700
  168   1HG2  THR  24          1HG2      THR  24  10.307  -6.635 -10.543
  169   2HG2  THR  24          2HG2      THR  24   9.187  -5.574 -11.400
  170   3HG2  THR  24          3HG2      THR  24  10.489  -6.377 -12.279
  171    H    LEU  25           H        LEU  25   7.078  -6.415  -8.688
  172    HA   LEU  25           HA       LEU  25   4.893  -5.139 -10.145
  173   1HB   LEU  25          2HB       LEU  25   5.052  -6.064  -7.621
  174   2HB   LEU  25          1HB       LEU  25   5.509  -4.394  -7.353
  175    HG   LEU  25           HG       LEU  25   2.956  -5.262  -8.709
  176   1HD1  LEU  25          1HD1      LEU  25   3.436  -4.343  -5.886
  177   2HD1  LEU  25          2HD1      LEU  25   3.009  -5.979  -6.394
  178   3HD1  LEU  25          3HD1      LEU  25   1.863  -4.657  -6.622
  179   1HD2  LEU  25          1HD2      LEU  25   2.257  -2.950  -8.348
  180   2HD2  LEU  25          2HD2      LEU  25   3.699  -3.027  -9.361
  181   3HD2  LEU  25          3HD2      LEU  25   3.837  -2.571  -7.662
  182    H    SER  26           H        SER  26   5.021  -3.069 -10.894
  183    HA   SER  26           HA       SER  26   7.472  -1.570 -10.332
  184   1HB   SER  26          2HB       SER  26   5.270  -1.025 -12.345
  185   2HB   SER  26          1HB       SER  26   6.760  -0.095 -12.183
  186    HG   SER  26           HG       SER  26   7.516  -2.592 -12.400
  187    H    VAL  27           H        VAL  27   7.168  -0.774  -8.313
  188    HA   VAL  27           HA       VAL  27   5.093   1.247  -7.960
  189    HB   VAL  27           HB       VAL  27   4.110  -0.848  -7.113
  190   1HG1  VAL  27          1HG1      VAL  27   6.469  -0.894  -5.236
  191   2HG1  VAL  27          2HG1      VAL  27   6.115  -2.053  -6.519
  192   3HG1  VAL  27          3HG1      VAL  27   5.052  -1.938  -5.116
  193   1HG2  VAL  27          1HG2      VAL  27   4.819   1.116  -4.939
  194   2HG2  VAL  27          2HG2      VAL  27   3.506  -0.061  -4.870
  195   3HG2  VAL  27          3HG2      VAL  27   3.464   1.239  -6.061
  196    H    ASP  28           H        ASP  28   5.609   2.804  -6.406
  197    HA   ASP  28           HA       ASP  28   8.380   2.716  -5.423
  198   1HB   ASP  28          2HB       ASP  28   6.645   5.102  -6.110
  199   2HB   ASP  28          1HB       ASP  28   8.238   5.212  -5.370
  200    H    ALA  29           H        ALA  29   8.775   3.040  -3.306
  201    HA   ALA  29           HA       ALA  29   6.750   2.699  -1.367
  202   1HB   ALA  29          1HB       ALA  29   8.505   3.064   0.268
  203   2HB   ALA  29          2HB       ALA  29   9.561   3.721  -0.982
  204   3HB   ALA  29          3HB       ALA  29   9.086   2.024  -1.034
  205    H    SER  30           H        SER  30   5.456   4.548  -2.400
  206    HA   SER  30           HA       SER  30   5.352   6.726  -0.582
  207   1HB   SER  30          2HB       SER  30   5.761   8.510  -2.334
  208   2HB   SER  30          1HB       SER  30   7.203   7.629  -1.833
  209    HG   SER  30           HG       SER  30   6.805   7.948  -4.195
  210    H    LEU  31           H        LEU  31   4.584   5.553  -3.807
  211    HA   LEU  31           HA       LEU  31   2.119   6.871  -4.130
  212   1HB   LEU  31          2HB       LEU  31   3.067   4.245  -5.290
  213   2HB   LEU  31          1HB       LEU  31   1.690   5.165  -5.866
  214    HG   LEU  31           HG       LEU  31   4.521   6.205  -5.889
  215   1HD1  LEU  31          1HD1      LEU  31   2.919   4.950  -8.113
  216   2HD1  LEU  31          2HD1      LEU  31   4.347   4.262  -7.339
  217   3HD1  LEU  31          3HD1      LEU  31   4.485   5.741  -8.291
  218   1HD2  LEU  31          1HD2      LEU  31   2.790   7.926  -5.861
  219   2HD2  LEU  31          2HD2      LEU  31   2.002   7.161  -7.242
  220   3HD2  LEU  31          3HD2      LEU  31   3.608   7.870  -7.423
  221    H    THR  32           H        THR  32   2.977   3.730  -2.783
  222    HA   THR  32           HA       THR  32   0.182   3.256  -2.062
  223    HB   THR  32           HB       THR  32   1.316   0.948  -1.419
  224    HG1  THR  32           1HG      THR  32   3.356   0.908  -2.029
  225   1HG2  THR  32          1HG2      THR  32   0.781   0.148  -3.666
  226   2HG2  THR  32          2HG2      THR  32   0.783   1.806  -4.268
  227   3HG2  THR  32          3HG2      THR  32  -0.441   1.291  -3.105
  228    H    ARG  33           H        ARG  33   3.053   4.362  -0.669
  229    HA   ARG  33           HA       ARG  33   2.571   3.152   1.932
  230   1HB   ARG  33          2HB       ARG  33   4.890   3.441   0.998
  231   2HB   ARG  33          1HB       ARG  33   4.692   5.177   1.194
  232   1HG   ARG  33          2HG       ARG  33   4.334   4.821   3.616
  233   2HG   ARG  33          1HG       ARG  33   4.660   3.104   3.379
  234   1HD   ARG  33          2HD       ARG  33   6.674   4.084   4.142
  235   2HD   ARG  33          1HD       ARG  33   6.885   3.769   2.420
  236    HE   ARG  33           HE       ARG  33   5.939   6.417   2.866
  237   1HH1  ARG  33          1HH1      ARG  33   8.808   4.406   2.953
  238   2HH1  ARG  33          2HH1      ARG  33   9.908   5.748   2.824
  239   1HH2  ARG  33          1HH2      ARG  33   7.397   8.195   2.700
  240   2HH2  ARG  33          2HH2      ARG  33   9.108   7.884   2.670
  241    H    GLY  34           H        GLY  34   1.698   4.145   3.653
  242   1HA   GLY  34          2HA       GLY  34   1.227   6.107   4.964
  243   2HA   GLY  34          1HA       GLY  34   1.166   7.039   3.472
  244    H    LYS  35           H        LYS  35  -0.480   5.737   1.881
  245    HA   LYS  35           HA       LYS  35  -3.044   6.019   3.098
  246   1HB   LYS  35          2HB       LYS  35  -3.878   5.284   0.820
  247   2HB   LYS  35          1HB       LYS  35  -2.952   6.772   0.858
  248   1HG   LYS  35          2HG       LYS  35  -1.722   4.128   0.182
  249   2HG   LYS  35          1HG       LYS  35  -2.493   5.147  -1.035
  250   1HD   LYS  35          2HD       LYS  35  -0.241   6.039   0.763
  251   2HD   LYS  35          1HD       LYS  35  -0.017   5.429  -0.876
  252   1HE   LYS  35          2HE       LYS  35  -1.737   7.810  -0.204
  253   2HE   LYS  35          1HE       LYS  35  -0.034   7.938  -0.641
  254   1HZ   LYS  35          1HZ       LYS  35  -2.342   7.229  -2.305
  255   2HZ   LYS  35          2HZ       LYS  35  -0.836   6.541  -2.685
  256   3HZ   LYS  35          3HZ       LYS  35  -1.014   8.224  -2.665
  257    H    GLN  36           H        GLN  36  -4.397   4.461   3.796
  258    HA   GLN  36           HA       GLN  36  -3.236   1.762   3.932
  259   1HB   GLN  36          2HB       GLN  36  -5.352   3.029   5.680
  260   2HB   GLN  36          1HB       GLN  36  -4.641   1.439   5.907
  261   1HG   GLN  36          2HG       GLN  36  -2.449   2.507   6.270
  262   2HG   GLN  36          1HG       GLN  36  -3.228   4.085   6.141
  263   1HE2  GLN  36          1HE2      GLN  36  -2.716   4.679   8.236
  264   2HE2  GLN  36          2HE2      GLN  36  -3.491   3.971   9.615
  265    H    SER  37           H        SER  37  -4.732  -0.075   3.862
  266    HA   SER  37           HA       SER  37  -7.307   0.508   2.599
  267   1HB   SER  37          2HB       SER  37  -5.593  -0.350   0.923
  268   2HB   SER  37          1HB       SER  37  -5.536  -1.844   1.863
  269    HG   SER  37           HG       SER  37  -7.188  -1.328  -0.058
  270    H    ASN  38           H        ASN  38  -8.963  -0.641   3.485
  271    HA   ASN  38           HA       ASN  38  -8.486  -1.826   6.027
  272   1HB   ASN  38          2HB       ASN  38 -10.949  -1.448   4.366
  273   2HB   ASN  38          1HB       ASN  38 -11.002  -2.422   5.832
  274   1HD2  ASN  38          1HD2      ASN  38  -8.925   0.374   5.431
  275   2HD2  ASN  38          2HD2      ASN  38  -9.752   1.384   6.565
  276    H    GLY  39           H        GLY  39  -8.116  -3.166   3.041
  277   1HA   GLY  39          2HA       GLY  39  -7.008  -5.286   2.988
  278   2HA   GLY  39          1HA       GLY  39  -7.968  -5.781   4.370
  279    H    LEU  40           H        LEU  40  -8.198  -7.731   2.903
  280    HA   LEU  40           HA       LEU  40 -10.714  -7.694   1.598
  281   1HB   LEU  40          2HB       LEU  40  -9.318  -6.839  -0.249
  282   2HB   LEU  40          1HB       LEU  40  -8.225  -8.196  -0.057
  283    HG   LEU  40           HG       LEU  40 -10.067  -9.730  -0.702
  284   1HD1  LEU  40          1HD1      LEU  40 -11.549  -7.159  -1.212
  285   2HD1  LEU  40          2HD1      LEU  40 -11.984  -8.425  -0.063
  286   3HD1  LEU  40          3HD1      LEU  40 -12.054  -8.743  -1.797
  287   1HD2  LEU  40          1HD2      LEU  40  -9.413  -7.549  -2.673
  288   2HD2  LEU  40          2HD2      LEU  40 -10.048  -9.142  -3.082
  289   3HD2  LEU  40          3HD2      LEU  40  -8.452  -8.989  -2.350
  290    H    HIS  41           H        HIS  41 -11.505  -9.873   1.499
  291    HA   HIS  41           HA       HIS  41  -9.572 -11.998   2.068
  292   1HB   HIS  41          2HB       HIS  41 -10.524 -11.079   4.244
  293   2HB   HIS  41          1HB       HIS  41 -12.080 -11.714   3.727
  294    HD1  HIS  41           1HD      HIS  41 -11.160 -12.817   6.277
  295    HD2  HIS  41           2HD      HIS  41  -9.918 -14.451   2.655
  296    HE1  HIS  41           1HE      HIS  41 -10.422 -15.160   6.806
  297    HE2  HIS  41           2HE      HIS  41  -9.561 -16.092   4.632
  298    H    GLY  42           H        GLY  42  -9.941 -12.944   0.101
  299   1HA   GLY  42          2HA       GLY  42 -12.186 -14.711   0.009
  300   2HA   GLY  42          1HA       GLY  42 -12.317 -13.443  -1.200
  301    H    ASP  43           H        ASP  43 -12.298 -15.671  -2.384
  302    HA   ASP  43           HA       ASP  43  -9.583 -16.508  -3.089
  303   1HB   ASP  43          2HB       ASP  43 -11.577 -18.115  -2.901
  304   2HB   ASP  43          1HB       ASP  43 -12.180 -17.386  -4.383
  305    H    TYR  44           H        TYR  44  -8.725 -14.683  -4.080
  306    HA   TYR  44           HA       TYR  44 -10.276 -13.568  -6.317
  307   1HB   TYR  44          2HB       TYR  44  -8.676 -12.225  -4.182
  308   2HB   TYR  44          1HB       TYR  44  -8.816 -11.458  -5.760
  309    HD1  TYR  44           1HD      TYR  44 -10.682 -12.620  -2.813
  310    HD2  TYR  44           2HD      TYR  44 -10.863 -10.418  -6.446
  311    HE1  TYR  44           1HE      TYR  44 -12.855 -11.696  -2.137
  312    HE2  TYR  44           2HE      TYR  44 -13.038  -9.488  -5.779
  313    HH   TYR  44           HH       TYR  44 -14.253  -9.786  -2.596
  314    H    ASP  45           H        ASP  45  -9.343 -13.141  -8.191
  315    HA   ASP  45           HA       ASP  45  -6.656 -14.149  -8.672
  316   1HB   ASP  45          2HB       ASP  45  -7.190 -13.875 -11.038
  317   2HB   ASP  45          1HB       ASP  45  -8.498 -14.739 -10.234
  318    H    VAL  46           H        VAL  46  -5.563 -12.672 -10.524
  319    HA   VAL  46           HA       VAL  46  -4.417 -10.556  -9.169
  320    HB   VAL  46           HB       VAL  46  -4.553 -11.046 -12.144
  321   1HG1  VAL  46          1HG1      VAL  46  -2.695  -9.504 -12.387
  322   2HG1  VAL  46          2HG1      VAL  46  -2.730  -9.153 -10.661
  323   3HG1  VAL  46          3HG1      VAL  46  -4.082  -8.670 -11.685
  324   1HG2  VAL  46          1HG2      VAL  46  -3.437 -12.791 -10.871
  325   2HG2  VAL  46          2HG2      VAL  46  -2.415 -11.585 -10.090
  326   3HG2  VAL  46          3HG2      VAL  46  -2.267 -11.877 -11.821
  327    H    GLU  47           H        GLU  47  -6.506 -10.060 -12.051
  328    HA   GLU  47           HA       GLU  47  -6.460  -7.281 -11.748
  329   1HB   GLU  47          2HB       GLU  47  -8.088  -7.228 -13.546
  330   2HB   GLU  47          1HB       GLU  47  -6.836  -8.414 -13.876
  331   1HG   GLU  47          2HG       GLU  47  -8.378 -10.186 -13.073
  332   2HG   GLU  47          1HG       GLU  47  -9.635  -8.958 -12.938
  333    H    SER  48           H        SER  48  -8.851  -9.659 -10.672
  334    HA   SER  48           HA       SER  48 -10.847  -7.667 -10.121
  335   1HB   SER  48          2HB       SER  48 -11.403 -10.014 -10.772
  336   2HB   SER  48          1HB       SER  48 -10.748 -10.562  -9.228
  337    HG   SER  48           HG       SER  48 -13.039  -8.970  -9.728
  338    H    GLY  49           H        GLY  49  -8.325  -9.307  -8.354
  339   1HA   GLY  49          2HA       GLY  49  -9.364  -8.684  -5.746
  340   2HA   GLY  49          1HA       GLY  49  -7.772  -9.341  -6.108
  341    H    LEU  50           H        LEU  50  -6.885  -7.358  -7.876
  342    HA   LEU  50           HA       LEU  50  -5.892  -5.456  -6.027
  343   1HB   LEU  50          2HB       LEU  50  -5.818  -5.420  -9.046
  344   2HB   LEU  50          1HB       LEU  50  -4.828  -4.433  -7.987
  345    HG   LEU  50           HG       LEU  50  -4.728  -7.449  -8.072
  346   1HD1  LEU  50          1HD1      LEU  50  -2.923  -5.409  -9.360
  347   2HD1  LEU  50          2HD1      LEU  50  -3.981  -6.551 -10.187
  348   3HD1  LEU  50          3HD1      LEU  50  -2.601  -7.142  -9.260
  349   1HD2  LEU  50          1HD2      LEU  50  -4.024  -6.504  -5.942
  350   2HD2  LEU  50          2HD2      LEU  50  -2.923  -5.410  -6.775
  351   3HD2  LEU  50          3HD2      LEU  50  -2.642  -7.150  -6.823
  352    H    GLN  51           H        GLN  51  -8.464  -5.425  -8.411
  353    HA   GLN  51           HA       GLN  51  -9.008  -2.697  -8.510
  354   1HB   GLN  51          2HB       GLN  51 -10.032  -4.389  -9.993
  355   2HB   GLN  51          1HB       GLN  51 -10.988  -4.977  -8.640
  356   1HG   GLN  51          2HG       GLN  51 -12.391  -3.590  -9.945
  357   2HG   GLN  51          1HG       GLN  51 -12.011  -2.706  -8.469
  358   1HE2  GLN  51          1HE2      GLN  51 -12.898  -1.734 -11.063
  359   2HE2  GLN  51          2HE2      GLN  51 -11.698  -0.609 -11.603
  360    H    GLN  52           H        GLN  52 -10.288  -5.180  -6.289
  361    HA   GLN  52           HA       GLN  52 -11.954  -3.369  -4.872
  362   1HB   GLN  52          2HB       GLN  52 -12.384  -5.775  -4.889
  363   2HB   GLN  52          1HB       GLN  52 -10.867  -6.068  -4.058
  364   1HG   GLN  52          2HG       GLN  52 -12.634  -6.261  -2.488
  365   2HG   GLN  52          1HG       GLN  52 -11.736  -4.796  -2.119
  366   1HE2  GLN  52          1HE2      GLN  52 -13.014  -3.280  -4.297
  367   2HE2  GLN  52          2HE2      GLN  52 -14.612  -2.926  -3.739
  368    H    LEU  53           H        LEU  53  -8.699  -4.620  -4.315
  369    HA   LEU  53           HA       LEU  53  -8.255  -3.605  -1.764
  370   1HB   LEU  53          2HB       LEU  53  -6.372  -4.120  -4.051
  371   2HB   LEU  53          1HB       LEU  53  -5.814  -3.613  -2.467
  372    HG   LEU  53           HG       LEU  53  -7.384  -6.133  -3.015
  373   1HD1  LEU  53          1HD1      LEU  53  -5.140  -6.233  -3.988
  374   2HD1  LEU  53          2HD1      LEU  53  -5.281  -7.302  -2.590
  375   3HD1  LEU  53          3HD1      LEU  53  -4.444  -5.756  -2.438
  376   1HD2  LEU  53          1HD2      LEU  53  -7.733  -5.193  -0.776
  377   2HD2  LEU  53          2HD2      LEU  53  -5.986  -5.168  -0.521
  378   3HD2  LEU  53          3HD2      LEU  53  -6.828  -6.706  -0.719
  379    H    LEU  54           H        LEU  54  -7.910  -2.027  -4.900
  380    HA   LEU  54           HA       LEU  54  -6.781   0.329  -3.589
  381   1HB   LEU  54          2HB       LEU  54  -6.879  -0.606  -6.428
  382   2HB   LEU  54          1HB       LEU  54  -6.554   1.075  -6.060
  383    HG   LEU  54           HG       LEU  54  -4.615   0.316  -4.655
  384   1HD1  LEU  54          1HD1      LEU  54  -5.146  -2.329  -5.999
  385   2HD1  LEU  54          2HD1      LEU  54  -5.311  -1.986  -4.278
  386   3HD1  LEU  54          3HD1      LEU  54  -3.724  -1.917  -5.043
  387   1HD2  LEU  54          1HD2      LEU  54  -4.562  -0.409  -7.579
  388   2HD2  LEU  54          2HD2      LEU  54  -3.158  -0.069  -6.566
  389   3HD2  LEU  54          3HD2      LEU  54  -4.332   1.204  -6.900
  390    H    ASP  55           H        ASP  55  -9.790  -0.705  -4.198
  391    HA   ASP  55           HA       ASP  55 -11.025   1.452  -5.519
  392   1HB   ASP  55          2HB       ASP  55 -12.201  -0.656  -5.188
  393   2HB   ASP  55          1HB       ASP  55 -12.167  -0.428  -3.441
  394    H    GLY  56           H        GLY  56 -10.920   3.494  -4.923
  395   1HA   GLY  56          2HA       GLY  56 -11.627   5.270  -3.517
  396   2HA   GLY  56          1HA       GLY  56 -11.526   4.184  -2.139
  397    H    SER  57           H        SER  57  -8.800   3.519  -3.725
  398    HA   SER  57           HA       SER  57  -7.256   5.163  -1.890
  399   1HB   SER  57          2HB       SER  57  -6.140   3.147  -3.832
  400   2HB   SER  57          1HB       SER  57  -5.444   3.700  -2.309
  401    HG   SER  57           HG       SER  57  -7.633   1.983  -2.739
  402    H    GLY  58           H        GLY  58  -8.264   5.340  -5.097
  403   1HA   GLY  58          2HA       GLY  58  -7.827   6.934  -6.697
  404   2HA   GLY  58          1HA       GLY  58  -6.670   7.662  -5.589
  405    H    LEU  59           H        LEU  59  -6.332   4.322  -6.240
  406    HA   LEU  59           HA       LEU  59  -4.127   4.897  -8.103
  407   1HB   LEU  59          2HB       LEU  59  -4.240   2.860  -5.876
  408   2HB   LEU  59          1HB       LEU  59  -2.958   2.970  -7.058
  409    HG   LEU  59           HG       LEU  59  -3.654   5.130  -5.070
  410   1HD1  LEU  59          1HD1      LEU  59  -1.600   4.485  -3.931
  411   2HD1  LEU  59          2HD1      LEU  59  -1.357   3.172  -5.084
  412   3HD1  LEU  59          3HD1      LEU  59  -2.736   3.138  -3.985
  413   1HD2  LEU  59          1HD2      LEU  59  -1.309   4.863  -6.953
  414   2HD2  LEU  59          2HD2      LEU  59  -1.563   6.158  -5.779
  415   3HD2  LEU  59          3HD2      LEU  59  -2.663   5.976  -7.148
  416    H    GLN  60           H        GLN  60  -3.498   2.881  -9.377
  417    HA   GLN  60           HA       GLN  60  -5.640   0.977  -9.766
  418   1HB   GLN  60          2HB       GLN  60  -5.976   3.065 -11.276
  419   2HB   GLN  60          1HB       GLN  60  -4.603   2.425 -12.159
  420   1HG   GLN  60          2HG       GLN  60  -6.635   1.745 -13.228
  421   2HG   GLN  60          1HG       GLN  60  -5.819   0.341 -12.547
  422   1HE2  GLN  60          1HE2      GLN  60  -6.783  -0.788 -10.887
  423   2HE2  GLN  60          2HE2      GLN  60  -8.412  -0.505 -10.376
  424    H    VAL  61           H        VAL  61  -4.582  -0.951  -9.763
  425    HA   VAL  61           HA       VAL  61  -1.819  -1.022 -10.707
  426    HB   VAL  61           HB       VAL  61  -3.438  -3.270  -9.485
  427   1HG1  VAL  61          1HG1      VAL  61  -1.649  -4.075 -10.936
  428   2HG1  VAL  61          2HG1      VAL  61  -1.273  -4.398  -9.243
  429   3HG1  VAL  61          3HG1      VAL  61  -0.486  -3.062 -10.082
  430   1HG2  VAL  61          1HG2      VAL  61  -3.053  -1.486  -7.878
  431   2HG2  VAL  61          2HG2      VAL  61  -1.330  -1.496  -8.256
  432   3HG2  VAL  61          3HG2      VAL  61  -2.071  -2.896  -7.484
  433    H    LYS  62           H        LYS  62  -1.259  -1.729 -12.644
  434    HA   LYS  62           HA       LYS  62  -3.315  -3.067 -14.266
  435   1HB   LYS  62          2HB       LYS  62  -2.521  -0.664 -14.855
  436   2HB   LYS  62          1HB       LYS  62  -1.037  -1.448 -15.387
  437   1HG   LYS  62          2HG       LYS  62  -2.476  -2.894 -16.868
  438   2HG   LYS  62          1HG       LYS  62  -3.810  -1.814 -16.449
  439   1HD   LYS  62          2HD       LYS  62  -2.582   0.085 -17.349
  440   2HD   LYS  62          1HD       LYS  62  -1.214  -0.963 -17.729
  441   1HE   LYS  62          2HE       LYS  62  -3.987  -1.177 -18.900
  442   2HE   LYS  62          1HE       LYS  62  -2.578  -0.495 -19.709
  443   1HZ   LYS  62          1HZ       LYS  62  -2.880  -2.720 -20.460
  444   2HZ   LYS  62          2HZ       LYS  62  -2.972  -3.319 -18.881
  445   3HZ   LYS  62          3HZ       LYS  62  -1.505  -2.709 -19.469
  446    HA   PRO  63           HA       PRO  63  -0.278  -6.410 -14.482
  447   1HB   PRO  63          2HB       PRO  63  -1.983  -7.174 -16.792
  448   2HB   PRO  63          1HB       PRO  63  -1.491  -8.135 -15.393
  449   1HG   PRO  63          2HG       PRO  63  -3.993  -7.224 -15.627
  450   2HG   PRO  63          1HG       PRO  63  -3.179  -7.292 -14.051
  451   1HD   PRO  63          2HD       PRO  63  -3.671  -4.937 -15.832
  452   2HD   PRO  63          1HD       PRO  63  -3.750  -5.050 -14.062
  453    H    LEU  64           H        LEU  64   1.604  -6.058 -15.461
  454    HA   LEU  64           HA       LEU  64   1.868  -4.123 -17.522
  455   1HB   LEU  64          2HB       LEU  64   3.525  -4.725 -15.651
  456   2HB   LEU  64          1HB       LEU  64   4.001  -6.068 -16.665
  457    HG   LEU  64           HG       LEU  64   5.473  -4.007 -16.753
  458   1HD1  LEU  64          1HD1      LEU  64   5.855  -4.152 -19.144
  459   2HD1  LEU  64          2HD1      LEU  64   4.295  -4.942 -19.362
  460   3HD1  LEU  64          3HD1      LEU  64   5.574  -5.755 -18.461
  461   1HD2  LEU  64          1HD2      LEU  64   3.725  -2.324 -16.763
  462   2HD2  LEU  64          2HD2      LEU  64   3.137  -2.919 -18.314
  463   3HD2  LEU  64          3HD2      LEU  64   4.734  -2.181 -18.201
  464    H    GLY  65           H        GLY  65   2.431  -7.660 -17.474
  465   1HA   GLY  65          2HA       GLY  65   1.212  -8.455 -19.691
  466   2HA   GLY  65          1HA       GLY  65   2.633  -7.672 -20.369
  467    H    ASN  66           H        ASN  66   4.644  -8.357 -18.749
  468    HA   ASN  66           HA       ASN  66   4.910 -11.183 -19.376
  469   1HB   ASN  66          2HB       ASN  66   6.949  -9.195 -18.345
  470   2HB   ASN  66          1HB       ASN  66   7.301 -10.842 -18.857
  471   1HD2  ASN  66          1HD2      ASN  66   8.224  -8.230 -19.856
  472   2HD2  ASN  66          2HD2      ASN  66   7.853  -8.226 -21.543
  473    H    ASN  67           H        ASN  67   3.169 -11.313 -17.541
  474    HA   ASN  67           HA       ASN  67   2.526 -11.903 -15.435
  475   1HB   ASN  67          2HB       ASN  67   3.948 -13.869 -16.168
  476   2HB   ASN  67          1HB       ASN  67   5.260 -13.176 -15.218
  477   1HD2  ASN  67          1HD2      ASN  67   5.370 -14.850 -13.744
  478   2HD2  ASN  67          2HD2      ASN  67   4.115 -15.175 -12.597
  479    H    SER  68           H        SER  68   3.629  -9.322 -15.592
  480    HA   SER  68           HA       SER  68   4.447  -8.968 -12.815
  481   1HB   SER  68          2HB       SER  68   5.843  -7.676 -15.186
  482   2HB   SER  68          1HB       SER  68   6.168  -7.328 -13.488
  483    HG   SER  68           HG       SER  68   6.421  -9.910 -14.636
  484    H    TRP  69           H        TRP  69   4.534  -6.234 -12.708
  485    HA   TRP  69           HA       TRP  69   1.890  -5.484 -13.710
  486   1HB   TRP  69          2HB       TRP  69   2.661  -5.474 -10.791
  487   2HB   TRP  69          1HB       TRP  69   1.251  -4.660 -11.446
  488    HD1  TRP  69           HD       TRP  69   0.901  -7.607 -13.350
  489    HE1  TRP  69           1HE      TRP  69  -0.457  -9.426 -12.119
  490    HE3  TRP  69           3HE      TRP  69   1.257  -5.782  -8.648
  491    HZ2  TRP  69           2HZ      TRP  69  -1.288  -9.978  -9.466
  492    HZ3  TRP  69           3HZ      TRP  69   0.165  -6.972  -6.797
  493    HH2  TRP  69           HH       TRP  69  -1.088  -9.038  -7.198
  494    H    THR  70           H        THR  70   1.404  -3.215 -13.237
  495    HA   THR  70           HA       THR  70   3.689  -1.551 -12.509
  496    HB   THR  70           HB       THR  70   3.744  -1.546 -14.946
  497    HG1  THR  70           1HG      THR  70   2.520   0.922 -14.597
  498   1HG2  THR  70          1HG2      THR  70   0.858  -0.674 -14.808
  499   2HG2  THR  70          2HG2      THR  70   1.454  -2.216 -15.422
  500   3HG2  THR  70          3HG2      THR  70   1.841  -0.718 -16.272
  501    H    LEU  71           H        LEU  71   3.093   0.241 -11.327
  502    HA   LEU  71           HA       LEU  71   0.274   0.352 -10.591
  503   1HB   LEU  71          2HB       LEU  71   1.977   0.322  -8.804
  504   2HB   LEU  71          1HB       LEU  71   2.634   1.827  -9.419
  505    HG   LEU  71           HG       LEU  71   0.526   2.975  -8.892
  506   1HD1  LEU  71          1HD1      LEU  71  -0.312   0.340  -7.689
  507   2HD1  LEU  71          2HD1      LEU  71  -0.976   1.057  -9.158
  508   3HD1  LEU  71          3HD1      LEU  71  -1.205   1.861  -7.604
  509   1HD2  LEU  71          1HD2      LEU  71   2.296   2.963  -7.239
  510   2HD2  LEU  71          2HD2      LEU  71   1.713   1.428  -6.595
  511   3HD2  LEU  71          3HD2      LEU  71   0.721   2.879  -6.450
  512    H    GLU  72           H        GLU  72  -0.830   1.394 -11.993
  513    HA   GLU  72           HA       GLU  72   0.142   3.799 -13.280
  514   1HB   GLU  72          2HB       GLU  72  -2.515   2.381 -13.532
  515   2HB   GLU  72          1HB       GLU  72  -1.966   3.708 -14.545
  516   1HG   GLU  72          2HG       GLU  72  -0.734   0.970 -14.354
  517   2HG   GLU  72          1HG       GLU  72  -1.680   1.613 -15.697
  518    HA   PRO  73           HA       PRO  73  -1.876   6.415 -10.222
  519   1HB   PRO  73          2HB       PRO  73  -0.953   8.543 -12.041
  520   2HB   PRO  73          1HB       PRO  73  -0.602   8.310 -10.327
  521   1HG   PRO  73          2HG       PRO  73   1.268   7.914 -12.221
  522   2HG   PRO  73          1HG       PRO  73   1.205   6.935 -10.745
  523   1HD   PRO  73          2HD       PRO  73   0.270   6.257 -13.509
  524   2HD   PRO  73          1HD       PRO  73   1.109   5.235 -12.322
  525    H    ALA  74           H        ALA  74  -4.003   6.404 -10.462
  526    HA   ALA  74           HA       ALA  74  -5.311   7.890 -12.538
  527   1HB   ALA  74          1HB       ALA  74  -4.870   5.800 -13.739
  528   2HB   ALA  74          2HB       ALA  74  -6.597   6.007 -13.445
  529   3HB   ALA  74          3HB       ALA  74  -5.662   4.886 -12.455
  530    HA   PRO  75           HA       PRO  75  -7.345   7.499  -8.464
  531   1HB   PRO  75          2HB       PRO  75  -7.637  10.145  -7.958
  532   2HB   PRO  75          1HB       PRO  75  -6.140   9.266  -7.630
  533   1HG   PRO  75          2HG       PRO  75  -6.794  11.136  -9.838
  534   2HG   PRO  75          1HG       PRO  75  -5.241  10.823  -9.048
  535   1HD   PRO  75          2HD       PRO  75  -6.076   9.803 -11.529
  536   2HD   PRO  75          1HD       PRO  75  -4.697   9.231 -10.566
  537    H    ALA  76           H        ALA  76  -8.410  10.445 -10.056
  538    HA   ALA  76           HA       ALA  76 -10.876   9.131 -10.922
  539   1HB   ALA  76          1HB       ALA  76 -10.744  11.794  -9.491
  540   2HB   ALA  76          2HB       ALA  76 -11.427  10.303  -8.842
  541   3HB   ALA  76          3HB       ALA  76 -12.187  11.095 -10.223
  542    HA   PRO  77           HA       PRO  77  -8.630  11.773 -13.937
  543   1HB   PRO  77          2HB       PRO  77  -7.519   9.861 -15.480
  544   2HB   PRO  77          1HB       PRO  77  -6.854  10.328 -13.909
  545   1HG   PRO  77          2HG       PRO  77  -8.228   7.858 -14.671
  546   2HG   PRO  77          1HG       PRO  77  -7.191   8.196 -13.273
  547   1HD   PRO  77          2HD       PRO  77 -10.092   8.170 -13.429
  548   2HD   PRO  77          1HD       PRO  77  -9.052   8.304 -11.996
  549    H    LYS  78           H        LYS  78 -11.001   9.355 -14.474
  550    HA   LYS  78           HA       LYS  78 -12.025  10.891 -16.734
  551   1HB   LYS  78          2HB       LYS  78 -11.509   7.917 -16.817
  552   2HB   LYS  78          1HB       LYS  78 -12.642   8.713 -17.897
  553   1HG   LYS  78          2HG       LYS  78 -10.715  10.188 -18.611
  554   2HG   LYS  78          1HG       LYS  78  -9.668   9.063 -17.744
  555   1HD   LYS  78          2HD       LYS  78 -10.416   7.234 -19.140
  556   2HD   LYS  78          1HD       LYS  78 -11.581   8.286 -19.944
  557   1HE   LYS  78          2HE       LYS  78  -8.577   8.518 -20.040
  558   2HE   LYS  78          1HE       LYS  78  -9.632   7.986 -21.349
  559   1HZ   LYS  78          1HZ       LYS  78  -9.521  10.700 -20.143
  560   2HZ   LYS  78          2HZ       LYS  78 -10.676  10.214 -21.283
  561   3HZ   LYS  78          3HZ       LYS  78  -9.035  10.260 -21.707
  562    H    GLU  79           H        GLU  79 -12.713  10.555 -13.923
  563    HA   GLU  79           HA       GLU  79 -15.180   8.970 -14.014
  564   1HB   GLU  79          2HB       GLU  79 -14.106  10.349 -11.566
  565   2HB   GLU  79          1HB       GLU  79 -15.148   8.939 -11.661
  566   1HG   GLU  79          2HG       GLU  79 -12.206   9.082 -12.268
  567   2HG   GLU  79          1HG       GLU  79 -12.986   8.239 -10.933
  568    H    ASP  80           H        ASP  80 -13.958  12.193 -13.390
  569    HA   ASP  80           HA       ASP  80 -16.549  13.337 -14.027
  570   1HB   ASP  80          2HB       ASP  80 -16.797  13.211 -11.657
  571   2HB   ASP  80          1HB       ASP  80 -15.143  13.749 -11.386
  Start of MODEL    8
    1   1H    ALA   1          1HT       ALA   1  -8.445 -20.476  -1.577
    2   2H    ALA   1          2HT       ALA   1  -7.237 -20.937  -0.479
    3   3H    ALA   1          3HT       ALA   1  -7.215 -21.541  -2.061
    4    HA   ALA   1           HA       ALA   1  -5.569 -19.803  -1.749
    5   1HB   ALA   1          1HB       ALA   1  -7.862 -19.043  -3.559
    6   2HB   ALA   1          2HB       ALA   1  -6.538 -20.137  -3.960
    7   3HB   ALA   1          3HB       ALA   1  -6.214 -18.425  -3.676
    8    H    GLN   2           H        GLN   2  -6.365 -19.282   0.606
    9    HA   GLN   2           HA       GLN   2  -8.064 -17.040   0.932
   10   1HB   GLN   2          2HB       GLN   2  -7.148 -16.980   3.267
   11   2HB   GLN   2          1HB       GLN   2  -7.858 -18.513   2.784
   12   1HG   GLN   2          2HG       GLN   2  -5.749 -19.540   2.582
   13   2HG   GLN   2          1HG       GLN   2  -4.906 -17.995   2.647
   14   1HE2  GLN   2          1HE2      GLN   2  -7.582 -18.736   4.764
   15   2HE2  GLN   2          2HE2      GLN   2  -6.640 -18.852   6.218
   16    H    VAL   3           H        VAL   3  -7.554 -15.230  -0.026
   17    HA   VAL   3           HA       VAL   3  -4.887 -14.073   0.281
   18    HB   VAL   3           HB       VAL   3  -7.334 -12.922  -1.090
   19   1HG1  VAL   3          1HG1      VAL   3  -5.764 -11.347  -2.113
   20   2HG1  VAL   3          2HG1      VAL   3  -4.446 -12.048  -1.174
   21   3HG1  VAL   3          3HG1      VAL   3  -5.763 -11.207  -0.355
   22   1HG2  VAL   3          1HG2      VAL   3  -4.930 -14.296  -2.290
   23   2HG2  VAL   3          2HG2      VAL   3  -6.235 -13.525  -3.192
   24   3HG2  VAL   3          3HG2      VAL   3  -6.566 -14.951  -2.207
   25    H    ASN   4           H        ASN   4  -4.445 -12.672   1.941
   26    HA   ASN   4           HA       ASN   4  -6.726 -11.580   3.385
   27   1HB   ASN   4          2HB       ASN   4  -5.920 -12.256   5.531
   28   2HB   ASN   4          1HB       ASN   4  -5.953 -13.694   4.523
   29   1HD2  ASN   4          1HD2      ASN   4  -3.988 -14.610   3.838
   30   2HD2  ASN   4          2HD2      ASN   4  -2.500 -14.246   4.642
   31    H    ILE   5           H        ILE   5  -6.459  -9.508   3.872
   32    HA   ILE   5           HA       ILE   5  -3.746  -8.391   3.828
   33    HB   ILE   5           HB       ILE   5  -6.125  -7.292   2.319
   34   1HG1  ILE   5          2HG1      ILE   5  -3.416  -8.277   1.382
   35   2HG1  ILE   5          1HG1      ILE   5  -4.936  -9.151   1.220
   36   1HG2  ILE   5          1HG2      ILE   5  -3.379  -6.092   2.670
   37   2HG2  ILE   5          2HG2      ILE   5  -4.875  -5.481   3.375
   38   3HG2  ILE   5          3HG2      ILE   5  -4.654  -5.466   1.625
   39   1HD1  ILE   5          1HD1      ILE   5  -5.783  -7.415  -0.250
   40   2HD1  ILE   5          2HD1      ILE   5  -4.278  -8.096  -0.866
   41   3HD1  ILE   5          3HD1      ILE   5  -4.273  -6.519  -0.075
   42    H    ALA   6           H        ALA   6  -3.335  -6.947   5.368
   43    HA   ALA   6           HA       ALA   6  -5.183  -6.552   7.500
   44   1HB   ALA   6          1HB       ALA   6  -3.376  -5.233   8.496
   45   2HB   ALA   6          2HB       ALA   6  -2.488  -5.298   6.975
   46   3HB   ALA   6          3HB       ALA   6  -2.781  -6.777   7.889
   47    HA   PRO   7           HA       PRO   7  -7.046  -2.767   6.202
   48   1HB   PRO   7          2HB       PRO   7  -7.259  -1.852   8.957
   49   2HB   PRO   7          1HB       PRO   7  -8.525  -2.453   7.885
   50   1HG   PRO   7          2HG       PRO   7  -7.656  -3.823  10.062
   51   2HG   PRO   7          1HG       PRO   7  -8.295  -4.615   8.610
   52   1HD   PRO   7          2HD       PRO   7  -5.450  -4.213   9.456
   53   2HD   PRO   7          1HD       PRO   7  -6.221  -5.643   8.733
   54    H    GLY   8           H        GLY   8  -4.084  -2.658   6.388
   55   1HA   GLY   8          2HA       GLY   8  -3.844   0.222   6.547
   56   2HA   GLY   8          1HA       GLY   8  -2.957  -0.643   7.789
   57    H    SER   9           H        SER   9  -2.266   1.024   5.345
   58    HA   SER   9           HA       SER   9  -0.485   1.238   3.989
   59   1HB   SER   9          2HB       SER   9   0.417  -0.245   6.133
   60   2HB   SER   9          1HB       SER   9   0.927  -1.206   4.743
   61    HG   SER   9           HG       SER   9   1.830   0.801   3.888
   62    H    LEU  10           H        LEU  10  -1.480   0.925   2.011
   63    HA   LEU  10           HA       LEU  10  -2.207  -1.599   0.962
   64   1HB   LEU  10          2HB       LEU  10  -3.193   0.519   0.214
   65   2HB   LEU  10          1HB       LEU  10  -1.641   1.017  -0.432
   66    HG   LEU  10           HG       LEU  10  -1.725  -0.801  -2.073
   67   1HD1  LEU  10          1HD1      LEU  10  -3.038  -2.393  -0.743
   68   2HD1  LEU  10          2HD1      LEU  10  -3.731  -2.141  -2.345
   69   3HD1  LEU  10          3HD1      LEU  10  -4.461  -1.368  -0.936
   70   1HD2  LEU  10          1HD2      LEU  10  -4.209   0.911  -2.018
   71   2HD2  LEU  10          2HD2      LEU  10  -3.562   0.083  -3.433
   72   3HD2  LEU  10          3HD2      LEU  10  -2.638   1.376  -2.671
   73    H    ASP  11           H        ASP  11   0.651   0.422   0.716
   74    HA   ASP  11           HA       ASP  11   2.074  -0.926  -1.231
   75   1HB   ASP  11          2HB       ASP  11   4.090   0.009  -0.176
   76   2HB   ASP  11          1HB       ASP  11   2.805   1.199  -0.299
   77    H    LYS  12           H        LYS  12   1.869  -1.644   2.246
   78    HA   LYS  12           HA       LYS  12   3.689  -3.839   2.132
   79   1HB   LYS  12          2HB       LYS  12   3.113  -2.498   4.192
   80   2HB   LYS  12          1HB       LYS  12   1.556  -3.312   4.208
   81   1HG   LYS  12          2HG       LYS  12   2.545  -5.408   4.653
   82   2HG   LYS  12          1HG       LYS  12   4.162  -4.799   4.296
   83   1HD   LYS  12          2HD       LYS  12   3.957  -4.956   6.671
   84   2HD   LYS  12          1HD       LYS  12   3.918  -3.246   6.243
   85   1HE   LYS  12          2HE       LYS  12   2.234  -3.607   7.886
   86   2HE   LYS  12          1HE       LYS  12   1.417  -3.375   6.338
   87   1HZ   LYS  12          1HZ       LYS  12   1.016  -5.693   6.165
   88   2HZ   LYS  12          2HZ       LYS  12   0.563  -5.245   7.737
   89   3HZ   LYS  12          3HZ       LYS  12   2.034  -6.045   7.473
   90    H    ALA  13           H        ALA  13   0.328  -3.375   1.538
   91    HA   ALA  13           HA       ALA  13  -0.547  -6.069   1.819
   92   1HB   ALA  13          1HB       ALA  13  -2.099  -4.190   1.910
   93   2HB   ALA  13          2HB       ALA  13  -2.546  -5.325   0.635
   94   3HB   ALA  13          3HB       ALA  13  -1.744  -3.809   0.225
   95    H    LEU  14           H        LEU  14   0.183  -4.054  -1.036
   96    HA   LEU  14           HA       LEU  14  -0.050  -6.006  -2.990
   97   1HB   LEU  14          2HB       LEU  14   1.837  -3.650  -2.907
   98   2HB   LEU  14          1HB       LEU  14   1.440  -4.571  -4.343
   99    HG   LEU  14           HG       LEU  14  -0.555  -2.977  -2.732
  100   1HD1  LEU  14          1HD1      LEU  14  -0.500  -1.409  -4.614
  101   2HD1  LEU  14          2HD1      LEU  14   0.807  -2.342  -5.343
  102   3HD1  LEU  14          3HD1      LEU  14   1.064  -1.517  -3.805
  103   1HD2  LEU  14          1HD2      LEU  14  -1.549  -4.865  -3.916
  104   2HD2  LEU  14          2HD2      LEU  14  -0.778  -4.343  -5.413
  105   3HD2  LEU  14          3HD2      LEU  14  -2.016  -3.337  -4.663
  106    H    ASN  15           H        ASN  15   2.741  -5.161  -0.997
  107    HA   ASN  15           HA       ASN  15   4.662  -6.755  -2.270
  108   1HB   ASN  15          2HB       ASN  15   5.276  -5.059  -0.627
  109   2HB   ASN  15          1HB       ASN  15   4.442  -5.947   0.641
  110   1HD2  ASN  15          1HD2      ASN  15   5.446  -7.632   1.634
  111   2HD2  ASN  15          2HD2      ASN  15   7.091  -8.084   1.317
  112    H    GLN  16           H        GLN  16   2.283  -7.489   0.204
  113    HA   GLN  16           HA       GLN  16   3.118 -10.102   0.812
  114   1HB   GLN  16          2HB       GLN  16   1.584  -8.905   2.253
  115   2HB   GLN  16          1HB       GLN  16   0.399  -8.785   0.965
  116   1HG   GLN  16          2HG       GLN  16   1.267 -11.477   1.897
  117   2HG   GLN  16          1HG       GLN  16   0.147 -10.541   2.882
  118   1HE2  GLN  16          1HE2      GLN  16  -1.069  -9.278   0.525
  119   2HE2  GLN  16          2HE2      GLN  16  -2.075 -10.489  -0.185
  120    H    TYR  17           H        TYR  17   0.912  -8.832  -1.691
  121    HA   TYR  17           HA       TYR  17  -0.034 -11.388  -2.508
  122   1HB   TYR  17          2HB       TYR  17  -1.029  -8.990  -2.893
  123   2HB   TYR  17          1HB       TYR  17   0.016  -8.978  -4.307
  124    HD1  TYR  17           1HD      TYR  17  -0.337 -10.726  -6.106
  125    HD2  TYR  17           2HD      TYR  17  -3.081 -10.167  -2.890
  126    HE1  TYR  17           1HE      TYR  17  -2.063 -11.934  -7.367
  127    HE2  TYR  17           2HE      TYR  17  -4.808 -11.369  -4.152
  128    HH   TYR  17           HH       TYR  17  -5.347 -11.966  -6.426
  129    H    ALA  18           H        ALA  18   2.406  -9.122  -3.725
  130    HA   ALA  18           HA       ALA  18   3.281 -10.463  -5.963
  131   1HB   ALA  18          1HB       ALA  18   4.993  -8.896  -4.041
  132   2HB   ALA  18          2HB       ALA  18   3.992  -8.206  -5.320
  133   3HB   ALA  18          3HB       ALA  18   5.359  -9.242  -5.732
  134    H    ALA  19           H        ALA  19   4.585 -10.802  -2.655
  135    HA   ALA  19           HA       ALA  19   6.526 -12.729  -3.334
  136   1HB   ALA  19          1HB       ALA  19   6.683 -13.138  -0.925
  137   2HB   ALA  19          2HB       ALA  19   5.202 -12.214  -0.672
  138   3HB   ALA  19          3HB       ALA  19   6.648 -11.411  -1.287
  139    H    HIS  20           H        HIS  20   3.147 -12.943  -2.577
  140    HA   HIS  20           HA       HIS  20   3.061 -15.685  -1.896
  141   1HB   HIS  20          2HB       HIS  20   1.250 -14.156  -1.295
  142   2HB   HIS  20          1HB       HIS  20   0.867 -13.916  -2.996
  143    HD1  HIS  20           1HD      HIS  20   0.678 -16.515  -0.271
  144    HD2  HIS  20           2HD      HIS  20  -0.729 -15.865  -4.136
  145    HE1  HIS  20           1HE      HIS  20  -1.024 -18.324  -0.691
  146    HE2  HIS  20           2HE      HIS  20  -1.685 -18.039  -3.113
  147    H    SER  21           H        SER  21   2.278 -14.037  -5.010
  148    HA   SER  21           HA       SER  21   1.944 -16.661  -6.217
  149   1HB   SER  21          2HB       SER  21   0.253 -14.925  -6.640
  150   2HB   SER  21          1HB       SER  21   1.487 -13.897  -7.365
  151    HG   SER  21           HG       SER  21   1.812 -15.741  -8.861
  152    H    GLY  22           H        GLY  22   4.503 -14.721  -5.641
  153   1HA   GLY  22          2HA       GLY  22   6.670 -14.795  -6.376
  154   2HA   GLY  22          1HA       GLY  22   6.220 -16.225  -7.283
  155    H    PHE  23           H        PHE  23   4.866 -12.995  -7.741
  156    HA   PHE  23           HA       PHE  23   6.114 -12.985 -10.408
  157   1HB   PHE  23          2HB       PHE  23   4.294 -11.465 -11.113
  158   2HB   PHE  23          1HB       PHE  23   3.664 -12.998 -10.518
  159    HD1  PHE  23           1HD      PHE  23   2.416 -13.107  -8.455
  160    HD2  PHE  23           2HD      PHE  23   3.972  -9.420  -9.889
  161    HE1  PHE  23           1HE      PHE  23   0.965 -11.892  -6.892
  162    HE2  PHE  23           2HE      PHE  23   2.521  -8.197  -8.325
  163    HZ   PHE  23           HZ       PHE  23   1.029  -9.436  -6.810
  164    H    THR  24           H        THR  24   6.742 -10.848 -11.243
  165    HA   THR  24           HA       THR  24   8.028  -9.307  -9.134
  166    HB   THR  24           HB       THR  24   8.225  -8.970 -12.136
  167    HG1  THR  24           1HG      THR  24   9.037 -11.001 -10.837
  168   1HG2  THR  24          1HG2      THR  24   8.890  -6.970 -10.912
  169   2HG2  THR  24          2HG2      THR  24  10.306  -7.758 -11.610
  170   3HG2  THR  24          3HG2      THR  24   9.958  -7.930  -9.889
  171    H    LEU  25           H        LEU  25   6.774  -7.852  -8.188
  172    HA   LEU  25           HA       LEU  25   4.750  -6.408  -9.708
  173   1HB   LEU  25          2HB       LEU  25   4.386  -7.449  -7.405
  174   2HB   LEU  25          1HB       LEU  25   5.383  -6.156  -6.774
  175    HG   LEU  25           HG       LEU  25   2.922  -5.544  -8.383
  176   1HD1  LEU  25          1HD1      LEU  25   2.234  -7.054  -6.612
  177   2HD1  LEU  25          2HD1      LEU  25   1.679  -5.411  -6.285
  178   3HD1  LEU  25          3HD1      LEU  25   3.072  -6.060  -5.420
  179   1HD2  LEU  25          1HD2      LEU  25   2.958  -3.488  -7.034
  180   2HD2  LEU  25          2HD2      LEU  25   4.445  -3.694  -7.960
  181   3HD2  LEU  25          3HD2      LEU  25   4.425  -4.051  -6.234
  182    H    SER  26           H        SER  26   5.089  -4.411 -10.458
  183    HA   SER  26           HA       SER  26   7.481  -2.999  -9.498
  184   1HB   SER  26          2HB       SER  26   7.517  -3.748 -11.902
  185   2HB   SER  26          1HB       SER  26   6.153  -2.671 -12.198
  186    HG   SER  26           HG       SER  26   7.647  -1.235 -12.534
  187    H    VAL  27           H        VAL  27   6.626  -1.740  -7.917
  188    HA   VAL  27           HA       VAL  27   4.273  -0.125  -8.518
  189    HB   VAL  27           HB       VAL  27   4.292  -1.136  -6.314
  190   1HG1  VAL  27          1HG1      VAL  27   6.865   0.356  -5.826
  191   2HG1  VAL  27          2HG1      VAL  27   6.694  -1.388  -6.010
  192   3HG1  VAL  27          3HG1      VAL  27   5.966  -0.571  -4.627
  193   1HG2  VAL  27          1HG2      VAL  27   4.778   1.835  -6.165
  194   2HG2  VAL  27          2HG2      VAL  27   4.007   0.865  -4.911
  195   3HG2  VAL  27          3HG2      VAL  27   3.238   1.039  -6.490
  196    H    ASP  28           H        ASP  28   4.386   1.974  -9.060
  197    HA   ASP  28           HA       ASP  28   6.897   3.054  -9.817
  198   1HB   ASP  28          2HB       ASP  28   4.789   3.537 -11.020
  199   2HB   ASP  28          1HB       ASP  28   4.226   4.459  -9.629
  200    H    ALA  29           H        ALA  29   8.310   3.641  -8.374
  201    HA   ALA  29           HA       ALA  29   9.324   4.511  -6.553
  202   1HB   ALA  29          1HB       ALA  29   7.120   6.561  -6.728
  203   2HB   ALA  29          2HB       ALA  29   8.666   6.623  -7.574
  204   3HB   ALA  29          3HB       ALA  29   8.618   6.732  -5.815
  205    H    SER  30           H        SER  30   6.280   5.724  -5.375
  206    HA   SER  30           HA       SER  30   5.518   3.487  -3.848
  207   1HB   SER  30          2HB       SER  30   7.669   4.415  -2.656
  208   2HB   SER  30          1HB       SER  30   6.574   5.668  -2.071
  209    HG   SER  30           HG       SER  30   6.331   2.855  -1.704
  210    H    LEU  31           H        LEU  31   4.019   4.790  -5.468
  211    HA   LEU  31           HA       LEU  31   2.762   7.145  -4.533
  212   1HB   LEU  31          2HB       LEU  31   1.736   5.044  -6.444
  213   2HB   LEU  31          1HB       LEU  31   1.039   6.636  -6.220
  214    HG   LEU  31           HG       LEU  31   3.820   6.093  -7.265
  215   1HD1  LEU  31          1HD1      LEU  31   2.121   5.393  -8.853
  216   2HD1  LEU  31          2HD1      LEU  31   2.923   6.860  -9.413
  217   3HD1  LEU  31          3HD1      LEU  31   1.312   6.952  -8.701
  218   1HD2  LEU  31          1HD2      LEU  31   2.256   8.664  -7.050
  219   2HD2  LEU  31          2HD2      LEU  31   3.844   8.476  -7.796
  220   3HD2  LEU  31          3HD2      LEU  31   3.647   8.215  -6.064
  221    H    THR  32           H        THR  32   2.487   3.892  -3.594
  222    HA   THR  32           HA       THR  32  -0.202   4.184  -2.525
  223    HB   THR  32           HB       THR  32   0.234   1.776  -1.778
  224    HG1  THR  32           1HG      THR  32   2.300   1.295  -1.950
  225   1HG2  THR  32          1HG2      THR  32  -0.140   0.880  -4.032
  226   2HG2  THR  32          2HG2      THR  32   0.357   2.424  -4.728
  227   3HG2  THR  32          3HG2      THR  32  -1.108   2.328  -3.752
  228    H    ARG  33           H        ARG  33   2.813   5.043  -1.554
  229    HA   ARG  33           HA       ARG  33   2.877   4.118   1.129
  230   1HB   ARG  33          2HB       ARG  33   4.909   4.858   0.019
  231   2HB   ARG  33          1HB       ARG  33   4.244   6.472  -0.179
  232   1HG   ARG  33          2HG       ARG  33   4.348   6.891   2.163
  233   2HG   ARG  33          1HG       ARG  33   4.736   5.204   2.505
  234   1HD   ARG  33          2HD       ARG  33   6.472   7.113   0.939
  235   2HD   ARG  33          1HD       ARG  33   6.719   6.659   2.626
  236    HE   ARG  33           HE       ARG  33   6.604   4.309   1.149
  237   1HH1  ARG  33          1HH1      ARG  33   8.658   7.143   1.339
  238   2HH1  ARG  33          2HH1      ARG  33  10.102   6.281   0.886
  239   1HH2  ARG  33          1HH2      ARG  33   8.489   3.182   0.521
  240   2HH2  ARG  33          2HH2      ARG  33  10.005   4.033   0.413
  241    H    GLY  34           H        GLY  34   1.722   4.758   2.798
  242   1HA   GLY  34          2HA       GLY  34   0.812   6.415   4.240
  243   2HA   GLY  34          1HA       GLY  34   0.685   7.499   2.863
  244    H    LYS  35           H        LYS  35  -0.403   5.019   1.381
  245    HA   LYS  35           HA       LYS  35  -3.181   5.501   2.065
  246   1HB   LYS  35          2HB       LYS  35  -2.567   5.501  -0.278
  247   2HB   LYS  35          1HB       LYS  35  -1.924   3.868  -0.131
  248   1HG   LYS  35          2HG       LYS  35  -3.995   2.909   0.002
  249   2HG   LYS  35          1HG       LYS  35  -4.753   4.377   0.630
  250   1HD   LYS  35          2HD       LYS  35  -4.366   5.421  -1.577
  251   2HD   LYS  35          1HD       LYS  35  -3.837   3.847  -2.183
  252   1HE   LYS  35          2HE       LYS  35  -6.544   4.533  -1.052
  253   2HE   LYS  35          1HE       LYS  35  -6.163   4.202  -2.744
  254   1HZ   LYS  35          1HZ       LYS  35  -5.713   2.210  -0.592
  255   2HZ   LYS  35          2HZ       LYS  35  -5.773   1.942  -2.264
  256   3HZ   LYS  35          3HZ       LYS  35  -7.185   2.325  -1.413
  257    H    GLN  36           H        GLN  36  -4.406   4.116   3.210
  258    HA   GLN  36           HA       GLN  36  -3.312   1.460   3.820
  259   1HB   GLN  36          2HB       GLN  36  -5.597   2.971   5.101
  260   2HB   GLN  36          1HB       GLN  36  -5.024   1.386   5.597
  261   1HG   GLN  36          2HG       GLN  36  -2.828   2.397   6.127
  262   2HG   GLN  36          1HG       GLN  36  -3.503   3.978   5.741
  263   1HE2  GLN  36          1HE2      GLN  36  -6.116   3.267   6.879
  264   2HE2  GLN  36          2HE2      GLN  36  -5.914   3.325   8.596
  265    H    SER  37           H        SER  37  -5.016  -0.342   3.885
  266    HA   SER  37           HA       SER  37  -7.300   0.177   2.160
  267   1HB   SER  37          2HB       SER  37  -5.443  -0.883   0.813
  268   2HB   SER  37          1HB       SER  37  -5.481  -2.248   1.926
  269    HG   SER  37           HG       SER  37  -7.929  -1.551   0.838
  270    H    ASN  38           H        ASN  38  -9.074  -0.535   3.185
  271    HA   ASN  38           HA       ASN  38  -8.986  -1.356   5.828
  272   1HB   ASN  38          2HB       ASN  38 -11.186  -1.419   3.795
  273   2HB   ASN  38          1HB       ASN  38 -11.446  -2.028   5.427
  274   1HD2  ASN  38          1HD2      ASN  38  -9.275   0.631   4.779
  275   2HD2  ASN  38          2HD2      ASN  38 -10.272   1.865   5.479
  276    H    GLY  39           H        GLY  39  -8.716  -3.336   3.042
  277   1HA   GLY  39          2HA       GLY  39  -7.395  -5.365   3.840
  278   2HA   GLY  39          1HA       GLY  39  -8.826  -5.696   4.803
  279    H    LEU  40           H        LEU  40  -8.367  -7.755   3.436
  280    HA   LEU  40           HA       LEU  40 -10.312  -7.892   1.390
  281   1HB   LEU  40          2HB       LEU  40  -8.354  -6.974   0.127
  282   2HB   LEU  40          1HB       LEU  40  -7.417  -8.368   0.628
  283    HG   LEU  40           HG       LEU  40  -9.035  -9.825  -0.583
  284   1HD1  LEU  40          1HD1      LEU  40 -10.962  -8.352  -0.563
  285   2HD1  LEU  40          2HD1      LEU  40 -10.534  -8.792  -2.215
  286   3HD1  LEU  40          3HD1      LEU  40 -10.112  -7.199  -1.589
  287   1HD2  LEU  40          1HD2      LEU  40  -8.208  -9.274  -2.819
  288   2HD2  LEU  40          2HD2      LEU  40  -6.928  -9.188  -1.608
  289   3HD2  LEU  40          3HD2      LEU  40  -7.661  -7.706  -2.226
  290    H    HIS  41           H        HIS  41 -11.200  -9.893   1.766
  291    HA   HIS  41           HA       HIS  41  -9.422 -12.056   2.622
  292   1HB   HIS  41          2HB       HIS  41 -11.701 -10.955   4.239
  293   2HB   HIS  41          1HB       HIS  41 -11.273 -12.656   4.362
  294    HD1  HIS  41           1HD      HIS  41  -9.295 -13.262   5.774
  295    HD2  HIS  41           2HD      HIS  41  -9.655  -9.157   5.191
  296    HE1  HIS  41           1HE      HIS  41  -7.626 -12.204   7.333
  297    HE2  HIS  41           2HE      HIS  41  -8.010  -9.719   7.111
  298    H    GLY  42           H        GLY  42  -9.768 -13.189   0.787
  299   1HA   GLY  42          2HA       GLY  42 -12.040 -14.891   0.825
  300   2HA   GLY  42          1HA       GLY  42 -12.149 -13.751  -0.511
  301    H    ASP  43           H        ASP  43 -12.056 -16.326  -1.222
  302    HA   ASP  43           HA       ASP  43  -9.367 -16.949  -2.091
  303   1HB   ASP  43          2HB       ASP  43 -12.078 -17.998  -2.954
  304   2HB   ASP  43          1HB       ASP  43 -10.561 -18.555  -3.647
  305    H    TYR  44           H        TYR  44  -8.823 -14.871  -2.975
  306    HA   TYR  44           HA       TYR  44 -10.626 -13.808  -4.998
  307   1HB   TYR  44          2HB       TYR  44  -8.684 -12.653  -3.127
  308   2HB   TYR  44          1HB       TYR  44  -8.687 -11.909  -4.723
  309    HD1  TYR  44           1HD      TYR  44 -10.767 -12.689  -1.783
  310    HD2  TYR  44           2HD      TYR  44 -10.507 -10.523  -5.435
  311    HE1  TYR  44           1HE      TYR  44 -12.753 -11.388  -1.143
  312    HE2  TYR  44           2HE      TYR  44 -12.491  -9.217  -4.808
  313    HH   TYR  44           HH       TYR  44 -13.784  -9.225  -1.665
  314    H    ASP  45           H        ASP  45 -10.214 -13.533  -7.047
  315    HA   ASP  45           HA       ASP  45  -7.914 -14.688  -8.296
  316   1HB   ASP  45          2HB       ASP  45 -10.101 -14.667  -9.411
  317   2HB   ASP  45          1HB       ASP  45 -10.096 -12.909  -9.405
  318    H    VAL  46           H        VAL  46  -6.487 -13.476  -9.708
  319    HA   VAL  46           HA       VAL  46  -4.987 -11.600  -8.387
  320    HB   VAL  46           HB       VAL  46  -5.199 -12.012 -11.371
  321   1HG1  VAL  46          1HG1      VAL  46  -3.009 -10.708  -9.760
  322   2HG1  VAL  46          2HG1      VAL  46  -4.112  -9.891 -10.866
  323   3HG1  VAL  46          3HG1      VAL  46  -2.948 -11.060 -11.487
  324   1HG2  VAL  46          1HG2      VAL  46  -3.264 -13.477 -11.073
  325   2HG2  VAL  46          2HG2      VAL  46  -4.647 -14.046 -10.139
  326   3HG2  VAL  46          3HG2      VAL  46  -3.324 -13.209  -9.331
  327    H    GLU  47           H        GLU  47  -6.900 -10.804 -11.293
  328    HA   GLU  47           HA       GLU  47  -6.625  -8.039 -10.995
  329   1HB   GLU  47          2HB       GLU  47  -8.720  -9.621 -12.487
  330   2HB   GLU  47          1HB       GLU  47  -8.398  -7.904 -12.704
  331   1HG   GLU  47          2HG       GLU  47  -6.235  -8.332 -13.579
  332   2HG   GLU  47          1HG       GLU  47  -6.319 -10.033 -13.124
  333    H    SER  48           H        SER  48  -8.982 -10.250  -9.620
  334    HA   SER  48           HA       SER  48 -10.975  -8.284  -9.103
  335   1HB   SER  48          2HB       SER  48 -11.446 -10.730  -9.276
  336   2HB   SER  48          1HB       SER  48 -10.573 -10.974  -7.764
  337    HG   SER  48           HG       SER  48 -12.934 -10.751  -7.605
  338    H    GLY  49           H        GLY  49  -8.170  -9.508  -7.416
  339   1HA   GLY  49          2HA       GLY  49  -8.909  -8.443  -4.843
  340   2HA   GLY  49          1HA       GLY  49  -7.345  -9.114  -5.291
  341    H    LEU  50           H        LEU  50  -7.117  -7.389  -7.635
  342    HA   LEU  50           HA       LEU  50  -5.824  -5.174  -6.407
  343   1HB   LEU  50          2HB       LEU  50  -6.477  -5.743  -9.300
  344   2HB   LEU  50          1HB       LEU  50  -5.430  -4.449  -8.746
  345    HG   LEU  50           HG       LEU  50  -4.913  -7.394  -8.337
  346   1HD1  LEU  50          1HD1      LEU  50  -3.657  -5.413 -10.233
  347   2HD1  LEU  50          2HD1      LEU  50  -4.697  -6.768 -10.674
  348   3HD1  LEU  50          3HD1      LEU  50  -3.109  -7.068  -9.968
  349   1HD2  LEU  50          1HD2      LEU  50  -4.002  -6.012  -6.548
  350   2HD2  LEU  50          2HD2      LEU  50  -3.221  -4.971  -7.739
  351   3HD2  LEU  50          3HD2      LEU  50  -2.713  -6.650  -7.568
  352    H    GLN  51           H        GLN  51  -8.797  -5.577  -8.303
  353    HA   GLN  51           HA       GLN  51  -9.622  -2.984  -8.577
  354   1HB   GLN  51          2HB       GLN  51 -10.790  -4.936  -9.525
  355   2HB   GLN  51          1HB       GLN  51 -11.363  -5.372  -7.921
  356   1HG   GLN  51          2HG       GLN  51 -12.572  -3.215  -7.820
  357   2HG   GLN  51          1HG       GLN  51 -12.071  -2.900  -9.480
  358   1HE2  GLN  51          1HE2      GLN  51 -12.955  -6.068  -8.263
  359   2HE2  GLN  51          2HE2      GLN  51 -14.409  -6.223  -9.193
  360    H    GLN  52           H        GLN  52 -10.170  -5.106  -5.768
  361    HA   GLN  52           HA       GLN  52 -11.674  -3.225  -4.294
  362   1HB   GLN  52          2HB       GLN  52  -9.990  -5.534  -3.311
  363   2HB   GLN  52          1HB       GLN  52 -11.117  -4.625  -2.313
  364   1HG   GLN  52          2HG       GLN  52 -11.763  -6.365  -4.680
  365   2HG   GLN  52          1HG       GLN  52 -12.172  -6.652  -2.989
  366   1HE2  GLN  52          1HE2      GLN  52 -13.811  -5.412  -2.022
  367   2HE2  GLN  52          2HE2      GLN  52 -14.977  -4.555  -2.977
  368    H    LEU  53           H        LEU  53  -8.217  -3.995  -4.256
  369    HA   LEU  53           HA       LEU  53  -7.433  -2.230  -2.234
  370   1HB   LEU  53          2HB       LEU  53  -5.870  -3.133  -4.650
  371   2HB   LEU  53          1HB       LEU  53  -5.185  -2.434  -3.194
  372    HG   LEU  53           HG       LEU  53  -6.620  -5.084  -3.389
  373   1HD1  LEU  53          1HD1      LEU  53  -4.432  -6.024  -2.830
  374   2HD1  LEU  53          2HD1      LEU  53  -3.728  -4.409  -2.876
  375   3HD1  LEU  53          3HD1      LEU  53  -4.385  -5.127  -4.347
  376   1HD2  LEU  53          1HD2      LEU  53  -6.073  -5.381  -1.057
  377   2HD2  LEU  53          2HD2      LEU  53  -7.045  -3.923  -1.258
  378   3HD2  LEU  53          3HD2      LEU  53  -5.305  -3.795  -1.005
  379    H    LEU  54           H        LEU  54  -8.088  -1.680  -5.618
  380    HA   LEU  54           HA       LEU  54  -6.803   0.845  -5.846
  381   1HB   LEU  54          2HB       LEU  54  -7.641  -0.856  -7.645
  382   2HB   LEU  54          1HB       LEU  54  -9.140   0.027  -7.532
  383    HG   LEU  54           HG       LEU  54  -7.695   0.715  -9.434
  384   1HD1  LEU  54          1HD1      LEU  54  -9.342   2.265  -8.543
  385   2HD1  LEU  54          2HD1      LEU  54  -7.903   3.115  -9.104
  386   3HD1  LEU  54          3HD1      LEU  54  -8.160   2.862  -7.378
  387   1HD2  LEU  54          1HD2      LEU  54  -5.534   0.394  -8.377
  388   2HD2  LEU  54          2HD2      LEU  54  -5.864   1.723  -7.266
  389   3HD2  LEU  54          3HD2      LEU  54  -5.696   2.040  -8.991
  390    H    ASP  55           H        ASP  55  -9.997  -0.196  -4.862
  391    HA   ASP  55           HA       ASP  55 -11.427   2.176  -5.204
  392   1HB   ASP  55          2HB       ASP  55 -12.516   0.046  -4.662
  393   2HB   ASP  55          1HB       ASP  55 -11.787   0.073  -3.058
  394    H    GLY  56           H        GLY  56 -10.852   4.096  -4.471
  395   1HA   GLY  56          2HA       GLY  56 -10.934   5.468  -2.413
  396   2HA   GLY  56          1HA       GLY  56  -9.868   4.272  -1.690
  397    H    SER  57           H        SER  57  -8.794   4.453  -4.757
  398    HA   SER  57           HA       SER  57  -7.077   6.786  -4.169
  399   1HB   SER  57          2HB       SER  57  -5.275   5.630  -5.438
  400   2HB   SER  57          1HB       SER  57  -5.760   4.751  -3.991
  401    HG   SER  57           HG       SER  57  -7.207   3.558  -5.509
  402    H    GLY  58           H        GLY  58  -6.041   7.686  -6.199
  403   1HA   GLY  58          2HA       GLY  58  -8.017   7.687  -8.392
  404   2HA   GLY  58          1HA       GLY  58  -6.947   9.033  -8.004
  405    H    LEU  59           H        LEU  59  -6.095   5.667  -8.027
  406    HA   LEU  59           HA       LEU  59  -4.138   6.199 -10.155
  407   1HB   LEU  59          2HB       LEU  59  -4.092   3.905  -8.195
  408   2HB   LEU  59          1HB       LEU  59  -2.791   4.452  -9.234
  409    HG   LEU  59           HG       LEU  59  -3.875   5.931  -6.834
  410   1HD1  LEU  59          1HD1      LEU  59  -2.607   3.965  -6.205
  411   2HD1  LEU  59          2HD1      LEU  59  -1.683   5.425  -5.852
  412   3HD1  LEU  59          3HD1      LEU  59  -1.286   4.452  -7.268
  413   1HD2  LEU  59          1HD2      LEU  59  -1.991   7.451  -7.180
  414   2HD2  LEU  59          2HD2      LEU  59  -3.104   7.475  -8.546
  415   3HD2  LEU  59          3HD2      LEU  59  -1.576   6.601  -8.669
  416    H    GLN  60           H        GLN  60  -3.562   3.906 -11.212
  417    HA   GLN  60           HA       GLN  60  -5.926   2.242 -11.499
  418   1HB   GLN  60          2HB       GLN  60  -6.104   3.814 -13.375
  419   2HB   GLN  60          1HB       GLN  60  -4.446   3.467 -13.846
  420   1HG   GLN  60          2HG       GLN  60  -6.023   2.324 -15.290
  421   2HG   GLN  60          1HG       GLN  60  -5.063   1.169 -14.370
  422   1HE2  GLN  60          1HE2      GLN  60  -6.565  -0.471 -14.582
  423   2HE2  GLN  60          2HE2      GLN  60  -8.078  -0.463 -13.742
  424    H    VAL  61           H        VAL  61  -5.245   0.238 -11.084
  425    HA   VAL  61           HA       VAL  61  -2.427  -0.386 -11.287
  426    HB   VAL  61           HB       VAL  61  -3.524  -1.215  -9.316
  427   1HG1  VAL  61          1HG1      VAL  61  -5.356  -2.845  -9.395
  428   2HG1  VAL  61          2HG1      VAL  61  -5.416  -2.679 -11.150
  429   3HG1  VAL  61          3HG1      VAL  61  -5.814  -1.303 -10.120
  430   1HG2  VAL  61          1HG2      VAL  61  -1.773  -2.631 -10.178
  431   2HG2  VAL  61          2HG2      VAL  61  -2.919  -3.460 -11.232
  432   3HG2  VAL  61          3HG2      VAL  61  -3.047  -3.631  -9.481
  433    H    LYS  62           H        LYS  62  -1.529  -1.209 -13.035
  434    HA   LYS  62           HA       LYS  62  -3.289  -2.504 -15.010
  435   1HB   LYS  62          2HB       LYS  62  -0.942  -0.689 -15.613
  436   2HB   LYS  62          1HB       LYS  62  -2.047  -1.403 -16.780
  437   1HG   LYS  62          2HG       LYS  62  -3.854  -0.037 -15.994
  438   2HG   LYS  62          1HG       LYS  62  -2.864   0.578 -14.668
  439   1HD   LYS  62          2HD       LYS  62  -2.900   2.250 -16.375
  440   2HD   LYS  62          1HD       LYS  62  -1.297   1.513 -16.385
  441   1HE   LYS  62          2HE       LYS  62  -2.009   0.075 -18.260
  442   2HE   LYS  62          1HE       LYS  62  -3.563   0.908 -18.277
  443   1HZ   LYS  62          1HZ       LYS  62  -2.102   3.010 -18.530
  444   2HZ   LYS  62          2HZ       LYS  62  -2.372   2.024 -19.883
  445   3HZ   LYS  62          3HZ       LYS  62  -0.902   1.925 -19.045
  446    HA   PRO  63           HA       PRO  63  -0.199  -5.775 -14.674
  447   1HB   PRO  63          2HB       PRO  63  -1.602  -6.675 -17.136
  448   2HB   PRO  63          1HB       PRO  63  -1.270  -7.565 -15.647
  449   1HG   PRO  63          2HG       PRO  63  -3.737  -6.712 -16.223
  450   2HG   PRO  63          1HG       PRO  63  -3.122  -6.697 -14.558
  451   1HD   PRO  63          2HD       PRO  63  -3.421  -4.433 -16.491
  452   2HD   PRO  63          1HD       PRO  63  -3.719  -4.471 -14.740
  453    H    LEU  64           H        LEU  64   1.758  -5.391 -15.415
  454    HA   LEU  64           HA       LEU  64   2.341  -3.399 -17.268
  455   1HB   LEU  64          2HB       LEU  64   3.752  -4.294 -15.350
  456   2HB   LEU  64          1HB       LEU  64   4.233  -5.587 -16.425
  457    HG   LEU  64           HG       LEU  64   5.817  -3.590 -16.136
  458   1HD1  LEU  64          1HD1      LEU  64   6.535  -3.690 -18.472
  459   2HD1  LEU  64          2HD1      LEU  64   5.006  -4.454 -18.906
  460   3HD1  LEU  64          3HD1      LEU  64   6.138  -5.288 -17.841
  461   1HD2  LEU  64          1HD2      LEU  64   5.399  -1.686 -17.611
  462   2HD2  LEU  64          2HD2      LEU  64   4.158  -1.824 -16.368
  463   3HD2  LEU  64          3HD2      LEU  64   3.813  -2.345 -18.017
  464    H    GLY  65           H        GLY  65   2.285  -6.929 -17.690
  465   1HA   GLY  65          2HA       GLY  65   1.412  -6.953 -20.255
  466   2HA   GLY  65          1HA       GLY  65   3.142  -6.711 -20.436
  467    H    ASN  66           H        ASN  66   4.210  -8.318 -18.527
  468    HA   ASN  66           HA       ASN  66   3.278 -10.963 -19.407
  469   1HB   ASN  66          2HB       ASN  66   5.712 -11.659 -19.140
  470   2HB   ASN  66          1HB       ASN  66   5.345 -10.601 -20.495
  471   1HD2  ASN  66          1HD2      ASN  66   6.052  -8.448 -20.444
  472   2HD2  ASN  66          2HD2      ASN  66   7.307  -7.933 -19.356
  473    H    ASN  67           H        ASN  67   1.916 -10.762 -17.478
  474    HA   ASN  67           HA       ASN  67   1.321 -11.308 -15.361
  475   1HB   ASN  67          2HB       ASN  67   2.478 -13.456 -16.181
  476   2HB   ASN  67          1HB       ASN  67   3.831 -12.963 -15.167
  477   1HD2  ASN  67          1HD2      ASN  67   3.566 -14.792 -13.848
  478   2HD2  ASN  67          2HD2      ASN  67   2.263 -14.924 -12.717
  479    H    SER  68           H        SER  68   2.626  -8.921 -15.573
  480    HA   SER  68           HA       SER  68   3.734  -8.659 -12.879
  481   1HB   SER  68          2HB       SER  68   5.674  -8.661 -14.418
  482   2HB   SER  68          1HB       SER  68   4.899  -7.430 -15.410
  483    HG   SER  68           HG       SER  68   5.942  -7.192 -12.784
  484    H    TRP  69           H        TRP  69   3.836  -6.033 -12.580
  485    HA   TRP  69           HA       TRP  69   1.328  -4.960 -13.591
  486   1HB   TRP  69          2HB       TRP  69   1.812  -5.131 -10.616
  487   2HB   TRP  69          1HB       TRP  69   0.403  -4.474 -11.420
  488    HD1  TRP  69           HD       TRP  69   0.334  -7.415 -13.293
  489    HE1  TRP  69           1HE      TRP  69  -0.864  -9.360 -12.091
  490    HE3  TRP  69           3HE      TRP  69   0.519  -5.623  -8.586
  491    HZ2  TRP  69           2HZ      TRP  69  -1.649 -10.014  -9.442
  492    HZ3  TRP  69           3HZ      TRP  69  -0.472  -6.925  -6.743
  493    HH2  TRP  69           HH       TRP  69  -1.536  -9.084  -7.168
  494    H    THR  70           H        THR  70   1.114  -2.684 -13.112
  495    HA   THR  70           HA       THR  70   3.230  -1.437 -11.560
  496    HB   THR  70           HB       THR  70   4.109  -1.321 -13.858
  497    HG1  THR  70           1HG      THR  70   4.468   0.919 -13.836
  498   1HG2  THR  70          1HG2      THR  70   1.589   0.224 -14.494
  499   2HG2  THR  70          2HG2      THR  70   1.976  -1.394 -15.075
  500   3HG2  THR  70          3HG2      THR  70   2.959  -0.020 -15.580
  501    H    LEU  71           H        LEU  71   2.567   0.513 -10.603
  502    HA   LEU  71           HA       LEU  71  -0.304   1.025 -10.780
  503   1HB   LEU  71          2HB       LEU  71   1.819   1.891  -8.825
  504   2HB   LEU  71          1HB       LEU  71   0.241   2.650  -8.857
  505    HG   LEU  71           HG       LEU  71   0.258   1.027  -7.108
  506   1HD1  LEU  71          1HD1      LEU  71  -1.277  -0.070  -9.455
  507   2HD1  LEU  71          2HD1      LEU  71  -1.808   1.228  -8.388
  508   3HD1  LEU  71          3HD1      LEU  71  -1.592  -0.401  -7.751
  509   1HD2  LEU  71          1HD2      LEU  71   0.687  -1.348  -7.500
  510   2HD2  LEU  71          2HD2      LEU  71   2.104  -0.362  -7.862
  511   3HD2  LEU  71          3HD2      LEU  71   1.111  -0.997  -9.175
  512    H    GLU  72           H        GLU  72  -0.579   2.121 -12.604
  513    HA   GLU  72           HA       GLU  72   0.956   4.550 -13.079
  514   1HB   GLU  72          2HB       GLU  72   0.480   2.938 -14.921
  515   2HB   GLU  72          1HB       GLU  72  -1.227   3.318 -14.765
  516   1HG   GLU  72          2HG       GLU  72  -0.893   5.537 -15.509
  517   2HG   GLU  72          1HG       GLU  72   0.860   5.387 -15.381
  518    HA   PRO  73           HA       PRO  73  -2.292   6.987 -11.216
  519   1HB   PRO  73          2HB       PRO  73  -0.886   9.326 -12.234
  520   2HB   PRO  73          1HB       PRO  73  -1.107   8.811 -10.562
  521   1HG   PRO  73          2HG       PRO  73   1.298   8.757 -11.827
  522   2HG   PRO  73          1HG       PRO  73   0.860   7.635 -10.527
  523   1HD   PRO  73          2HD       PRO  73   0.892   7.193 -13.486
  524   2HD   PRO  73          1HD       PRO  73   1.375   6.095 -12.176
  525    H    ALA  74           H        ALA  74  -4.145   7.028 -12.283
  526    HA   ALA  74           HA       ALA  74  -4.604   8.776 -14.480
  527   1HB   ALA  74          1HB       ALA  74  -4.692   5.808 -15.045
  528   2HB   ALA  74          2HB       ALA  74  -3.525   6.951 -15.708
  529   3HB   ALA  74          3HB       ALA  74  -5.231   7.086 -16.137
  530    HA   PRO  75           HA       PRO  75  -8.239   7.668 -11.899
  531   1HB   PRO  75          2HB       PRO  75  -8.859  10.117 -11.042
  532   2HB   PRO  75          1HB       PRO  75  -7.504   9.228 -10.339
  533   1HG   PRO  75          2HG       PRO  75  -7.483  11.431 -12.359
  534   2HG   PRO  75          1HG       PRO  75  -6.394  11.158 -10.988
  535   1HD   PRO  75          2HD       PRO  75  -5.848  10.475 -13.620
  536   2HD   PRO  75          1HD       PRO  75  -5.051   9.772 -12.199
  537    H    ALA  76           H        ALA  76  -8.192   8.011 -14.785
  538    HA   ALA  76           HA       ALA  76  -9.461   8.568 -16.579
  539   1HB   ALA  76          1HB       ALA  76 -11.869   8.628 -16.301
  540   2HB   ALA  76          2HB       ALA  76 -11.688   8.871 -14.565
  541   3HB   ALA  76          3HB       ALA  76 -11.184   7.348 -15.295
  542    HA   PRO  77           HA       PRO  77  -9.192  13.048 -15.311
  543   1HB   PRO  77          2HB       PRO  77  -6.788  13.712 -16.244
  544   2HB   PRO  77          1HB       PRO  77  -6.953  12.803 -14.740
  545   1HG   PRO  77          2HG       PRO  77  -6.211  11.841 -17.468
  546   2HG   PRO  77          1HG       PRO  77  -5.562  11.354 -15.892
  547   1HD   PRO  77          2HD       PRO  77  -7.497   9.976 -17.343
  548   2HD   PRO  77          1HD       PRO  77  -7.171   9.774 -15.612
  549    H    LYS  78           H        LYS  78  -9.712  11.419 -18.028
  550    HA   LYS  78           HA       LYS  78  -9.194  13.323 -20.076
  551   1HB   LYS  78          2HB       LYS  78  -9.490  10.925 -20.542
  552   2HB   LYS  78          1HB       LYS  78 -11.160  11.019 -19.998
  553   1HG   LYS  78          2HG       LYS  78 -11.167  11.030 -22.372
  554   2HG   LYS  78          1HG       LYS  78 -11.581  12.659 -21.835
  555   1HD   LYS  78          2HD       LYS  78  -9.221  13.321 -22.181
  556   2HD   LYS  78          1HD       LYS  78  -8.894  11.710 -22.821
  557   1HE   LYS  78          2HE       LYS  78 -10.753  13.786 -23.969
  558   2HE   LYS  78          1HE       LYS  78  -9.229  13.226 -24.654
  559   1HZ   LYS  78          1HZ       LYS  78 -10.295  10.969 -24.782
  560   2HZ   LYS  78          2HZ       LYS  78 -10.947  12.140 -25.819
  561   3HZ   LYS  78          3HZ       LYS  78 -11.771  11.715 -24.400
  562    H    GLU  79           H        GLU  79 -11.950  12.563 -18.026
  563    HA   GLU  79           HA       GLU  79 -13.284  15.004 -18.985
  564   1HB   GLU  79          2HB       GLU  79 -14.620  12.390 -18.254
  565   2HB   GLU  79          1HB       GLU  79 -15.445  13.870 -18.718
  566   1HG   GLU  79          2HG       GLU  79 -14.496  13.748 -20.934
  567   2HG   GLU  79          1HG       GLU  79 -13.569  12.316 -20.480
  568    H    ASP  80           H        ASP  80 -15.106  15.588 -17.381
  569    HA   ASP  80           HA       ASP  80 -14.558  14.805 -14.637
  570   1HB   ASP  80          2HB       ASP  80 -13.088  16.790 -15.104
  571   2HB   ASP  80          1HB       ASP  80 -14.544  17.727 -15.429
  Start of MODEL    9
    1   1H    ALA   1          1HT       ALA   1  -8.014 -19.333  -3.114
    2   2H    ALA   1          2HT       ALA   1  -6.373 -19.609  -2.774
    3   3H    ALA   1          3HT       ALA   1  -6.983 -19.916  -4.324
    4    HA   ALA   1           HA       ALA   1  -5.692 -17.855  -4.200
    5   1HB   ALA   1          1HB       ALA   1  -7.303 -16.482  -5.397
    6   2HB   ALA   1          2HB       ALA   1  -8.626 -17.478  -4.792
    7   3HB   ALA   1          3HB       ALA   1  -7.437 -18.169  -5.897
    8    H    GLN   2           H        GLN   2  -6.495 -18.379  -1.405
    9    HA   GLN   2           HA       GLN   2  -8.001 -16.156  -0.463
   10   1HB   GLN   2          2HB       GLN   2  -7.427 -16.934   1.771
   11   2HB   GLN   2          1HB       GLN   2  -7.932 -18.277   0.761
   12   1HG   GLN   2          2HG       GLN   2  -6.138 -19.230   1.750
   13   2HG   GLN   2          1HG       GLN   2  -5.320 -18.489   0.376
   14   1HE2  GLN   2          1HE2      GLN   2  -3.364 -18.360   1.459
   15   2HE2  GLN   2          2HE2      GLN   2  -3.079 -17.222   2.731
   16    H    VAL   3           H        VAL   3  -7.279 -14.419   0.809
   17    HA   VAL   3           HA       VAL   3  -4.463 -13.677   0.559
   18    HB   VAL   3           HB       VAL   3  -5.688 -12.841  -1.462
   19   1HG1  VAL   3          1HG1      VAL   3  -7.852 -12.399  -0.463
   20   2HG1  VAL   3          2HG1      VAL   3  -7.213 -10.944  -1.228
   21   3HG1  VAL   3          3HG1      VAL   3  -7.154 -11.117   0.527
   22   1HG2  VAL   3          1HG2      VAL   3  -4.823 -10.557  -1.359
   23   2HG2  VAL   3          2HG2      VAL   3  -3.669 -11.737  -0.740
   24   3HG2  VAL   3          3HG2      VAL   3  -4.589 -10.730   0.381
   25    H    ASN   4           H        ASN   4  -3.808 -12.044   2.100
   26    HA   ASN   4           HA       ASN   4  -5.815 -11.450   4.156
   27   1HB   ASN   4          2HB       ASN   4  -3.000 -12.443   4.663
   28   2HB   ASN   4          1HB       ASN   4  -4.103 -11.861   5.905
   29   1HD2  ASN   4          1HD2      ASN   4  -3.270 -14.471   3.816
   30   2HD2  ASN   4          2HD2      ASN   4  -4.409 -15.614   4.431
   31    H    ILE   5           H        ILE   5  -6.028  -9.327   3.808
   32    HA   ILE   5           HA       ILE   5  -3.589  -7.694   3.547
   33    HB   ILE   5           HB       ILE   5  -6.420  -6.995   2.747
   34   1HG1  ILE   5          2HG1      ILE   5  -5.472  -8.728   1.302
   35   2HG1  ILE   5          1HG1      ILE   5  -5.615  -7.201   0.437
   36   1HG2  ILE   5          1HG2      ILE   5  -3.835  -5.513   2.280
   37   2HG2  ILE   5          2HG2      ILE   5  -5.128  -5.033   3.383
   38   3HG2  ILE   5          3HG2      ILE   5  -5.416  -5.057   1.643
   39   1HD1  ILE   5          1HD1      ILE   5  -3.530  -8.327  -0.086
   40   2HD1  ILE   5          2HD1      ILE   5  -3.085  -8.326   1.621
   41   3HD1  ILE   5          3HD1      ILE   5  -3.230  -6.802   0.745
   42    H    ALA   6           H        ALA   6  -3.075  -6.328   5.140
   43    HA   ALA   6           HA       ALA   6  -4.577  -6.196   7.545
   44   1HB   ALA   6          1HB       ALA   6  -2.275  -4.469   6.636
   45   2HB   ALA   6          2HB       ALA   6  -2.127  -6.008   7.486
   46   3HB   ALA   6          3HB       ALA   6  -2.875  -4.624   8.287
   47    HA   PRO   7           HA       PRO   7  -7.426  -3.003   6.492
   48   1HB   PRO   7          2HB       PRO   7  -7.647  -2.420   9.355
   49   2HB   PRO   7          1HB       PRO   7  -8.844  -3.105   8.254
   50   1HG   PRO   7          2HG       PRO   7  -7.674  -4.586  10.162
   51   2HG   PRO   7          1HG       PRO   7  -8.104  -5.266   8.579
   52   1HD   PRO   7          2HD       PRO   7  -5.434  -4.314   9.568
   53   2HD   PRO   7          1HD       PRO   7  -5.835  -5.796   8.673
   54    H    GLY   8           H        GLY   8  -4.592  -2.093   6.603
   55   1HA   GLY   8          2HA       GLY   8  -5.214   0.689   6.531
   56   2HA   GLY   8          1HA       GLY   8  -4.341   0.305   8.001
   57    H    SER   9           H        SER   9  -3.863  -1.002   4.710
   58    HA   SER   9           HA       SER   9  -1.842   0.820   3.994
   59   1HB   SER   9          2HB       SER   9  -0.573  -0.303   5.808
   60   2HB   SER   9          1HB       SER   9  -0.776  -1.845   4.975
   61    HG   SER   9           HG       SER   9   0.972   0.215   4.481
   62    H    LEU  10           H        LEU  10  -2.713   0.768   1.895
   63    HA   LEU  10           HA       LEU  10  -3.035  -1.587   0.387
   64   1HB   LEU  10          2HB       LEU  10  -4.029   0.480  -0.360
   65   2HB   LEU  10          1HB       LEU  10  -2.464   1.269  -0.414
   66    HG   LEU  10           HG       LEU  10  -1.795  -0.206  -2.275
   67   1HD1  LEU  10          1HD1      LEU  10  -3.186  -2.130  -1.743
   68   2HD1  LEU  10          2HD1      LEU  10  -3.472  -1.579  -3.394
   69   3HD1  LEU  10          3HD1      LEU  10  -4.636  -1.197  -2.124
   70   1HD2  LEU  10          1HD2      LEU  10  -3.252   0.795  -3.973
   71   2HD2  LEU  10          2HD2      LEU  10  -2.749   1.972  -2.760
   72   3HD2  LEU  10          3HD2      LEU  10  -4.375   1.290  -2.707
   73    H    ASP  11           H        ASP  11  -0.363   0.594   0.981
   74    HA   ASP  11           HA       ASP  11   1.585  -0.239  -0.708
   75   1HB   ASP  11          2HB       ASP  11   1.814   1.583   0.935
   76   2HB   ASP  11          1HB       ASP  11   1.920   0.397   2.231
   77    H    LYS  12           H        LYS  12   1.170  -1.600   2.578
   78    HA   LYS  12           HA       LYS  12   2.929  -3.762   2.060
   79   1HB   LYS  12          2HB       LYS  12   2.412  -2.884   4.343
   80   2HB   LYS  12          1HB       LYS  12   0.815  -3.614   4.216
   81   1HG   LYS  12          2HG       LYS  12   1.802  -5.819   4.039
   82   2HG   LYS  12          1HG       LYS  12   3.419  -5.120   4.062
   83   1HD   LYS  12          2HD       LYS  12   2.969  -4.239   6.327
   84   2HD   LYS  12          1HD       LYS  12   1.393  -5.040   6.298
   85   1HE   LYS  12          2HE       LYS  12   2.480  -7.202   6.054
   86   2HE   LYS  12          1HE       LYS  12   4.062  -6.424   6.018
   87   1HZ   LYS  12          1HZ       LYS  12   3.615  -7.316   8.192
   88   2HZ   LYS  12          2HZ       LYS  12   2.165  -6.446   8.302
   89   3HZ   LYS  12          3HZ       LYS  12   3.644  -5.624   8.277
   90    H    ALA  13           H        ALA  13  -0.396  -3.241   1.323
   91    HA   ALA  13           HA       ALA  13  -1.304  -5.924   1.302
   92   1HB   ALA  13          1HB       ALA  13  -2.828  -4.001   1.272
   93   2HB   ALA  13          2HB       ALA  13  -3.134  -5.101  -0.074
   94   3HB   ALA  13          3HB       ALA  13  -2.267  -3.589  -0.349
   95    H    LEU  14           H        LEU  14  -0.279  -3.782  -1.360
   96    HA   LEU  14           HA       LEU  14  -0.143  -5.699  -3.369
   97   1HB   LEU  14          2HB       LEU  14   1.568  -3.239  -2.991
   98   2HB   LEU  14          1HB       LEU  14   1.424  -4.141  -4.485
   99    HG   LEU  14           HG       LEU  14  -0.835  -2.673  -3.121
  100   1HD1  LEU  14          1HD1      LEU  14   0.824  -1.138  -4.012
  101   2HD1  LEU  14          2HD1      LEU  14  -0.645  -1.101  -4.990
  102   3HD1  LEU  14          3HD1      LEU  14   0.780  -1.968  -5.568
  103   1HD2  LEU  14          1HD2      LEU  14  -0.705  -4.025  -5.815
  104   2HD2  LEU  14          2HD2      LEU  14  -2.072  -3.113  -5.174
  105   3HD2  LEU  14          3HD2      LEU  14  -1.581  -4.622  -4.405
  106    H    ASN  15           H        ASN  15   2.226  -4.763  -0.943
  107    HA   ASN  15           HA       ASN  15   4.437  -6.176  -1.953
  108   1HB   ASN  15          2HB       ASN  15   4.554  -4.427  -0.193
  109   2HB   ASN  15          1HB       ASN  15   3.765  -5.527   0.930
  110   1HD2  ASN  15          1HD2      ASN  15   5.510  -5.409   2.331
  111   2HD2  ASN  15          2HD2      ASN  15   7.008  -6.212   2.014
  112    H    GLN  16           H        GLN  16   1.939  -7.087   0.413
  113    HA   GLN  16           HA       GLN  16   2.841  -9.680   0.925
  114   1HB   GLN  16          2HB       GLN  16   1.189  -8.538   2.317
  115   2HB   GLN  16          1HB       GLN  16   0.034  -8.547   0.995
  116   1HG   GLN  16          2HG       GLN  16   1.118 -11.127   2.036
  117   2HG   GLN  16          1HG       GLN  16  -0.149 -10.284   2.922
  118   1HE2  GLN  16          1HE2      GLN  16  -1.321  -9.226   0.439
  119   2HE2  GLN  16          2HE2      GLN  16  -2.162 -10.552  -0.278
  120    H    TYR  17           H        TYR  17   0.591  -8.463  -1.590
  121    HA   TYR  17           HA       TYR  17  -0.171 -11.032  -2.510
  122   1HB   TYR  17          2HB       TYR  17  -1.167  -8.590  -2.906
  123   2HB   TYR  17          1HB       TYR  17  -0.150  -8.665  -4.339
  124    HD1  TYR  17           1HD      TYR  17  -0.444 -11.064  -5.640
  125    HD2  TYR  17           2HD      TYR  17  -3.369  -9.165  -3.198
  126    HE1  TYR  17           1HE      TYR  17  -2.217 -12.293  -6.815
  127    HE2  TYR  17           2HE      TYR  17  -5.145 -10.391  -4.365
  128    HH   TYR  17           HH       TYR  17  -4.599 -13.041  -6.295
  129    H    ALA  18           H        ALA  18   2.257  -8.665  -3.531
  130    HA   ALA  18           HA       ALA  18   3.302  -9.938  -5.747
  131   1HB   ALA  18          1HB       ALA  18   3.917  -7.675  -5.088
  132   2HB   ALA  18          2HB       ALA  18   5.353  -8.672  -5.333
  133   3HB   ALA  18          3HB       ALA  18   4.796  -8.310  -3.696
  134    H    ALA  19           H        ALA  19   4.283 -10.333  -2.347
  135    HA   ALA  19           HA       ALA  19   6.353 -12.186  -2.903
  136   1HB   ALA  19          1HB       ALA  19   6.378 -12.589  -0.505
  137   2HB   ALA  19          2HB       ALA  19   4.836 -11.752  -0.331
  138   3HB   ALA  19          3HB       ALA  19   6.270 -10.861  -0.843
  139    H    HIS  20           H        HIS  20   2.926 -12.481  -2.463
  140    HA   HIS  20           HA       HIS  20   2.696 -15.120  -1.630
  141   1HB   HIS  20          2HB       HIS  20   0.865 -13.454  -1.681
  142   2HB   HIS  20          1HB       HIS  20   0.813 -13.586  -3.433
  143    HD1  HIS  20           1HD      HIS  20  -0.175 -15.351  -0.295
  144    HD2  HIS  20           2HD      HIS  20  -0.441 -15.902  -4.413
  145    HE1  HIS  20           1HE      HIS  20  -1.871 -17.183  -0.632
  146    HE2  HIS  20           2HE      HIS  20  -2.166 -17.346  -3.133
  147    H    SER  21           H        SER  21   2.647 -13.883  -5.012
  148    HA   SER  21           HA       SER  21   3.032 -16.675  -5.863
  149   1HB   SER  21          2HB       SER  21   0.994 -15.400  -6.680
  150   2HB   SER  21          1HB       SER  21   2.099 -14.400  -7.620
  151    HG   SER  21           HG       SER  21   1.699 -17.207  -7.833
  152    H    GLY  22           H        GLY  22   4.810 -14.046  -5.266
  153   1HA   GLY  22          2HA       GLY  22   6.971 -13.468  -5.741
  154   2HA   GLY  22          1HA       GLY  22   7.131 -15.060  -6.450
  155    H    PHE  23           H        PHE  23   5.197 -12.236  -7.470
  156    HA   PHE  23           HA       PHE  23   6.567 -12.395 -10.067
  157   1HB   PHE  23          2HB       PHE  23   4.582 -10.881 -10.790
  158   2HB   PHE  23          1HB       PHE  23   4.290 -12.598 -10.549
  159    HD1  PHE  23           1HD      PHE  23   2.557 -13.277  -9.190
  160    HD2  PHE  23           2HD      PHE  23   4.120  -9.344  -8.775
  161    HE1  PHE  23           1HE      PHE  23   0.758 -12.736  -7.613
  162    HE2  PHE  23           2HE      PHE  23   2.320  -8.794  -7.194
  163    HZ   PHE  23           HZ       PHE  23   0.644 -10.527  -6.598
  164    H    THR  24           H        THR  24   6.799 -10.244 -11.200
  165    HA   THR  24           HA       THR  24   8.249  -8.515  -9.373
  166    HB   THR  24           HB       THR  24   8.111  -8.368 -12.387
  167    HG1  THR  24           1HG      THR  24   9.451 -10.081 -10.664
  168   1HG2  THR  24          1HG2      THR  24  10.264  -7.193 -12.155
  169   2HG2  THR  24          2HG2      THR  24  10.104  -7.268 -10.400
  170   3HG2  THR  24          3HG2      THR  24   8.953  -6.330 -11.351
  171    H    LEU  25           H        LEU  25   7.365  -6.805  -8.518
  172    HA   LEU  25           HA       LEU  25   5.138  -5.431  -9.809
  173   1HB   LEU  25          2HB       LEU  25   6.214  -5.659  -7.108
  174   2HB   LEU  25          1HB       LEU  25   5.771  -4.014  -7.531
  175    HG   LEU  25           HG       LEU  25   3.968  -5.376  -6.416
  176   1HD1  LEU  25          1HD1      LEU  25   3.452  -3.354  -7.673
  177   2HD1  LEU  25          2HD1      LEU  25   2.201  -4.574  -7.908
  178   3HD1  LEU  25          3HD1      LEU  25   3.402  -4.290  -9.168
  179   1HD2  LEU  25          1HD2      LEU  25   4.387  -7.488  -7.494
  180   2HD2  LEU  25          2HD2      LEU  25   4.016  -6.782  -9.068
  181   3HD2  LEU  25          3HD2      LEU  25   2.748  -6.942  -7.854
  182    H    SER  26           H        SER  26   5.455  -3.747 -11.106
  183    HA   SER  26           HA       SER  26   7.964  -2.242 -10.928
  184   1HB   SER  26          2HB       SER  26   5.798  -2.230 -13.050
  185   2HB   SER  26          1HB       SER  26   7.285  -1.279 -13.110
  186    HG   SER  26           HG       SER  26   8.384  -3.391 -12.902
  187    H    VAL  27           H        VAL  27   7.695  -0.896  -9.235
  188    HA   VAL  27           HA       VAL  27   5.541   1.083  -9.407
  189    HB   VAL  27           HB       VAL  27   4.780  -0.673  -7.861
  190   1HG1  VAL  27          1HG1      VAL  27   7.255  -0.009  -6.268
  191   2HG1  VAL  27          2HG1      VAL  27   6.916  -1.530  -7.096
  192   3HG1  VAL  27          3HG1      VAL  27   5.931  -1.036  -5.718
  193   1HG2  VAL  27          1HG2      VAL  27   4.291   0.751  -5.927
  194   2HG2  VAL  27          2HG2      VAL  27   4.068   1.609  -7.452
  195   3HG2  VAL  27          3HG2      VAL  27   5.507   1.903  -6.477
  196    H    ASP  28           H        ASP  28   6.116   3.099  -8.789
  197    HA   ASP  28           HA       ASP  28   8.843   3.758  -8.367
  198   1HB   ASP  28          2HB       ASP  28   7.458   5.377  -9.449
  199   2HB   ASP  28          1HB       ASP  28   6.283   5.352  -8.141
  200    H    ALA  29           H        ALA  29   9.773   4.695  -6.523
  201    HA   ALA  29           HA       ALA  29   9.647   3.031  -4.348
  202   1HB   ALA  29          1HB       ALA  29  11.223   4.506  -3.284
  203   2HB   ALA  29          2HB       ALA  29  10.786   5.812  -4.384
  204   3HB   ALA  29          3HB       ALA  29  11.587   4.369  -5.006
  205    H    SER  30           H        SER  30   7.477   5.703  -4.845
  206    HA   SER  30           HA       SER  30   6.311   5.220  -2.280
  207   1HB   SER  30          2HB       SER  30   6.682   7.649  -1.504
  208   2HB   SER  30          1HB       SER  30   8.022   6.514  -1.342
  209    HG   SER  30           HG       SER  30   8.312   8.742  -2.401
  210    H    LEU  31           H        LEU  31   4.753   4.971  -4.338
  211    HA   LEU  31           HA       LEU  31   3.196   7.433  -4.445
  212   1HB   LEU  31          2HB       LEU  31   2.377   4.763  -5.560
  213   2HB   LEU  31          1HB       LEU  31   1.688   6.330  -5.934
  214    HG   LEU  31           HG       LEU  31   4.133   6.831  -6.765
  215   1HD1  LEU  31          1HD1      LEU  31   5.172   4.868  -7.720
  216   2HD1  LEU  31          2HD1      LEU  31   3.908   3.853  -7.023
  217   3HD1  LEU  31          3HD1      LEU  31   5.013   4.737  -5.968
  218   1HD2  LEU  31          1HD2      LEU  31   3.454   6.156  -9.013
  219   2HD2  LEU  31          2HD2      LEU  31   2.109   6.905  -8.150
  220   3HD2  LEU  31          3HD2      LEU  31   2.173   5.152  -8.333
  221    H    THR  32           H        THR  32   3.272   4.277  -3.012
  222    HA   THR  32           HA       THR  32   0.693   4.630  -1.703
  223    HB   THR  32           HB       THR  32   1.298   2.265  -0.840
  224    HG1  THR  32           1HG      THR  32   3.293   1.738  -1.372
  225   1HG2  THR  32          1HG2      THR  32   0.859   2.757  -3.790
  226   2HG2  THR  32          2HG2      THR  32  -0.396   2.693  -2.553
  227   3HG2  THR  32          3HG2      THR  32   0.533   1.245  -2.942
  228    H    ARG  33           H        ARG  33   3.228   6.136  -0.995
  229    HA   ARG  33           HA       ARG  33   4.250   5.088   1.429
  230   1HB   ARG  33          2HB       ARG  33   5.383   6.797  -0.050
  231   2HB   ARG  33          1HB       ARG  33   4.265   7.992   0.593
  232   1HG   ARG  33          2HG       ARG  33   5.126   7.609   2.838
  233   2HG   ARG  33          1HG       ARG  33   6.226   6.377   2.217
  234   1HD   ARG  33          2HD       ARG  33   7.152   8.211   0.706
  235   2HD   ARG  33          1HD       ARG  33   6.264   9.343   1.725
  236    HE   ARG  33           HE       ARG  33   7.622   8.021   3.575
  237   1HH1  ARG  33          1HH1      ARG  33   8.675   9.398   0.527
  238   2HH1  ARG  33          2HH1      ARG  33  10.342   9.491   1.006
  239   1HH2  ARG  33          1HH2      ARG  33   9.820   8.163   4.207
  240   2HH2  ARG  33          2HH2      ARG  33  10.995   8.800   3.093
  241    H    GLY  34           H        GLY  34   2.943   4.711   3.085
  242   1HA   GLY  34          2HA       GLY  34   1.670   5.239   4.939
  243   2HA   GLY  34          1HA       GLY  34   1.651   6.914   4.407
  244    H    LYS  35           H        LYS  35   0.656   4.474   2.175
  245    HA   LYS  35           HA       LYS  35  -1.989   5.587   2.040
  246   1HB   LYS  35          2HB       LYS  35  -0.405   4.258   0.245
  247   2HB   LYS  35          1HB       LYS  35  -1.525   2.989   0.721
  248   1HG   LYS  35          2HG       LYS  35  -2.509   3.981  -1.149
  249   2HG   LYS  35          1HG       LYS  35  -3.380   4.665   0.227
  250   1HD   LYS  35          2HD       LYS  35  -1.808   6.621   0.125
  251   2HD   LYS  35          1HD       LYS  35  -1.190   5.958  -1.390
  252   1HE   LYS  35          2HE       LYS  35  -2.799   7.565  -2.005
  253   2HE   LYS  35          1HE       LYS  35  -3.583   6.000  -2.221
  254   1HZ   LYS  35          1HZ       LYS  35  -5.041   7.595  -1.131
  255   2HZ   LYS  35          2HZ       LYS  35  -3.920   7.795   0.123
  256   3HZ   LYS  35          3HZ       LYS  35  -4.690   6.301  -0.094
  257    H    GLN  36           H        GLN  36  -3.971   4.288   2.316
  258    HA   GLN  36           HA       GLN  36  -3.659   2.050   4.172
  259   1HB   GLN  36          2HB       GLN  36  -5.283   2.965   5.744
  260   2HB   GLN  36          1HB       GLN  36  -3.892   4.028   5.601
  261   1HG   GLN  36          2HG       GLN  36  -5.165   5.505   4.139
  262   2HG   GLN  36          1HG       GLN  36  -6.556   4.430   4.267
  263   1HE2  GLN  36          1HE2      GLN  36  -4.413   5.116   6.924
  264   2HE2  GLN  36          2HE2      GLN  36  -5.543   6.037   7.853
  265    H    SER  37           H        SER  37  -5.193   0.512   3.994
  266    HA   SER  37           HA       SER  37  -7.664   1.086   2.560
  267   1HB   SER  37          2HB       SER  37  -5.894   0.009   1.037
  268   2HB   SER  37          1HB       SER  37  -6.013  -1.406   2.074
  269    HG   SER  37           HG       SER  37  -8.017  -0.259   0.431
  270    H    ASN  38           H        ASN  38  -9.383   0.139   3.600
  271    HA   ASN  38           HA       ASN  38  -9.030  -0.813   6.211
  272   1HB   ASN  38          2HB       ASN  38 -11.361  -0.689   4.356
  273   2HB   ASN  38          1HB       ASN  38 -11.513  -1.608   5.852
  274   1HD2  ASN  38          1HD2      ASN  38  -9.447   1.189   5.652
  275   2HD2  ASN  38          2HD2      ASN  38 -10.431   2.227   6.619
  276    H    GLY  39           H        GLY  39  -8.661  -2.546   3.342
  277   1HA   GLY  39          2HA       GLY  39  -7.221  -4.514   3.800
  278   2HA   GLY  39          1HA       GLY  39  -8.384  -4.956   5.039
  279    H    LEU  40           H        LEU  40  -8.052  -7.010   3.583
  280    HA   LEU  40           HA       LEU  40 -10.314  -7.302   1.918
  281   1HB   LEU  40          2HB       LEU  40  -8.573  -6.150   0.423
  282   2HB   LEU  40          1HB       LEU  40  -7.635  -7.624   0.565
  283    HG   LEU  40           HG       LEU  40  -9.560  -8.874  -0.408
  284   1HD1  LEU  40          1HD1      LEU  40 -10.633  -6.104  -0.914
  285   2HD1  LEU  40          2HD1      LEU  40 -11.315  -7.295   0.195
  286   3HD1  LEU  40          3HD1      LEU  40 -11.307  -7.609  -1.541
  287   1HD2  LEU  40          1HD2      LEU  40  -7.673  -8.210  -1.792
  288   2HD2  LEU  40          2HD2      LEU  40  -8.419  -6.637  -2.080
  289   3HD2  LEU  40          3HD2      LEU  40  -9.179  -8.102  -2.704
  290    H    HIS  41           H        HIS  41 -10.920  -9.403   2.366
  291    HA   HIS  41           HA       HIS  41  -8.801 -11.386   2.735
  292   1HB   HIS  41          2HB       HIS  41  -9.308 -10.378   4.978
  293   2HB   HIS  41          1HB       HIS  41 -10.953 -10.983   4.821
  294    HD1  HIS  41           1HD      HIS  41 -10.112 -12.180   7.146
  295    HD2  HIS  41           2HD      HIS  41  -8.561 -13.645   3.576
  296    HE1  HIS  41           1HE      HIS  41  -9.209 -14.467   7.685
  297    HE2  HIS  41           2HE      HIS  41  -8.130 -15.265   5.547
  298    H    GLY  42           H        GLY  42  -9.434 -12.506   0.995
  299   1HA   GLY  42          2HA       GLY  42 -11.575 -14.353   1.343
  300   2HA   GLY  42          1HA       GLY  42 -11.951 -13.162   0.102
  301    H    ASP  43           H        ASP  43 -11.945 -15.432  -0.999
  302    HA   ASP  43           HA       ASP  43  -9.293 -16.076  -2.022
  303   1HB   ASP  43          2HB       ASP  43 -12.006 -17.277  -2.252
  304   2HB   ASP  43          1HB       ASP  43 -10.903 -17.525  -3.603
  305    H    TYR  44           H        TYR  44  -8.789 -14.056  -2.960
  306    HA   TYR  44           HA       TYR  44 -10.545 -13.123  -5.109
  307   1HB   TYR  44          2HB       TYR  44  -8.313 -11.822  -3.564
  308   2HB   TYR  44          1HB       TYR  44  -8.968 -11.098  -5.030
  309    HD1  TYR  44           1HD      TYR  44  -9.542 -11.805  -1.506
  310    HD2  TYR  44           2HD      TYR  44 -11.300 -10.282  -5.068
  311    HE1  TYR  44           1HE      TYR  44 -11.331 -10.765  -0.174
  312    HE2  TYR  44           2HE      TYR  44 -13.090  -9.239  -3.748
  313    HH   TYR  44           HH       TYR  44 -12.954  -8.822  -0.440
  314    H    ASP  45           H        ASP  45 -10.001 -13.123  -7.181
  315    HA   ASP  45           HA       ASP  45  -7.553 -14.456  -7.994
  316   1HB   ASP  45          2HB       ASP  45  -9.757 -14.984  -9.054
  317   2HB   ASP  45          1HB       ASP  45  -9.812 -13.343  -9.684
  318    H    VAL  46           H        VAL  46  -6.573 -13.315 -10.122
  319    HA   VAL  46           HA       VAL  46  -5.052 -11.237  -9.097
  320    HB   VAL  46           HB       VAL  46  -5.535 -11.847 -12.017
  321   1HG1  VAL  46          1HG1      VAL  46  -4.473  -9.682 -11.698
  322   2HG1  VAL  46          2HG1      VAL  46  -3.318 -10.841 -12.356
  323   3HG1  VAL  46          3HG1      VAL  46  -3.261 -10.412 -10.647
  324   1HG2  VAL  46          1HG2      VAL  46  -3.432 -12.911 -10.131
  325   2HG2  VAL  46          2HG2      VAL  46  -3.545 -13.251 -11.859
  326   3HG2  VAL  46          3HG2      VAL  46  -4.807 -13.817 -10.763
  327    H    GLU  47           H        GLU  47  -7.662 -10.959 -11.565
  328    HA   GLU  47           HA       GLU  47  -7.456  -8.173 -11.838
  329   1HB   GLU  47          2HB       GLU  47  -9.835  -9.962 -12.372
  330   2HB   GLU  47          1HB       GLU  47  -9.593  -8.343 -13.014
  331   1HG   GLU  47          2HG       GLU  47  -7.878 -10.745 -13.599
  332   2HG   GLU  47          1HG       GLU  47  -9.097 -10.055 -14.671
  333    H    SER  48           H        SER  48  -9.639 -10.190  -9.899
  334    HA   SER  48           HA       SER  48 -11.272  -7.971  -9.126
  335   1HB   SER  48          2HB       SER  48 -12.265  -9.725  -7.561
  336   2HB   SER  48          1HB       SER  48 -12.389 -10.044  -9.289
  337    HG   SER  48           HG       SER  48 -10.793 -11.546  -9.139
  338    H    GLY  49           H        GLY  49  -8.409  -9.449  -7.938
  339   1HA   GLY  49          2HA       GLY  49  -8.739  -8.648  -5.189
  340   2HA   GLY  49          1HA       GLY  49  -7.273  -9.284  -5.926
  341    H    LEU  50           H        LEU  50  -7.058  -7.419  -8.033
  342    HA   LEU  50           HA       LEU  50  -5.658  -5.356  -6.675
  343   1HB   LEU  50          2HB       LEU  50  -6.402  -5.647  -9.588
  344   2HB   LEU  50          1HB       LEU  50  -5.309  -4.429  -8.957
  345    HG   LEU  50           HG       LEU  50  -4.855  -7.412  -8.856
  346   1HD1  LEU  50          1HD1      LEU  50  -4.675  -6.470 -11.114
  347   2HD1  LEU  50          2HD1      LEU  50  -3.115  -7.002 -10.492
  348   3HD1  LEU  50          3HD1      LEU  50  -3.514  -5.284 -10.517
  349   1HD2  LEU  50          1HD2      LEU  50  -3.865  -6.281  -6.947
  350   2HD2  LEU  50          2HD2      LEU  50  -3.094  -5.112  -8.019
  351   3HD2  LEU  50          3HD2      LEU  50  -2.613  -6.808  -8.070
  352    H    GLN  51           H        GLN  51  -8.664  -5.460  -8.533
  353    HA   GLN  51           HA       GLN  51  -9.270  -2.740  -8.512
  354   1HB   GLN  51          2HB       GLN  51 -10.464  -4.489  -9.840
  355   2HB   GLN  51          1HB       GLN  51 -11.268  -4.996  -8.360
  356   1HG   GLN  51          2HG       GLN  51 -12.138  -2.648  -8.153
  357   2HG   GLN  51          1HG       GLN  51 -11.522  -2.362  -9.778
  358   1HE2  GLN  51          1HE2      GLN  51 -14.235  -2.251  -8.805
  359   2HE2  GLN  51          2HE2      GLN  51 -15.139  -3.396  -9.745
  360    H    GLN  52           H        GLN  52 -10.022  -5.257  -6.124
  361    HA   GLN  52           HA       GLN  52 -11.626  -3.607  -4.473
  362   1HB   GLN  52          2HB       GLN  52 -10.102  -6.149  -3.893
  363   2HB   GLN  52          1HB       GLN  52 -11.182  -5.379  -2.740
  364   1HG   GLN  52          2HG       GLN  52 -12.004  -6.345  -5.467
  365   2HG   GLN  52          1HG       GLN  52 -12.211  -7.259  -3.975
  366   1HE2  GLN  52          1HE2      GLN  52 -12.847  -4.900  -2.406
  367   2HE2  GLN  52          2HE2      GLN  52 -14.460  -4.443  -2.837
  368    H    LEU  53           H        LEU  53  -8.189  -4.463  -4.412
  369    HA   LEU  53           HA       LEU  53  -7.460  -3.210  -2.033
  370   1HB   LEU  53          2HB       LEU  53  -5.896  -3.662  -4.567
  371   2HB   LEU  53          1HB       LEU  53  -5.179  -3.043  -3.093
  372    HG   LEU  53           HG       LEU  53  -6.511  -5.738  -3.382
  373   1HD1  LEU  53          1HD1      LEU  53  -4.252  -6.639  -3.170
  374   2HD1  LEU  53          2HD1      LEU  53  -3.596  -5.002  -3.142
  375   3HD1  LEU  53          3HD1      LEU  53  -4.394  -5.607  -4.592
  376   1HD2  LEU  53          1HD2      LEU  53  -5.574  -6.163  -1.150
  377   2HD2  LEU  53          2HD2      LEU  53  -6.750  -4.849  -1.136
  378   3HD2  LEU  53          3HD2      LEU  53  -5.025  -4.489  -1.072
  379    H    LEU  54           H        LEU  54  -8.333  -1.810  -5.055
  380    HA   LEU  54           HA       LEU  54  -6.941   0.650  -4.785
  381   1HB   LEU  54          2HB       LEU  54  -9.402  -0.046  -6.384
  382   2HB   LEU  54          1HB       LEU  54  -8.522   1.462  -6.521
  383    HG   LEU  54           HG       LEU  54  -7.406  -1.271  -7.148
  384   1HD1  LEU  54          1HD1      LEU  54  -7.472  -0.497  -9.476
  385   2HD1  LEU  54          2HD1      LEU  54  -8.292   0.975  -8.953
  386   3HD1  LEU  54          3HD1      LEU  54  -9.081  -0.590  -8.761
  387   1HD2  LEU  54          1HD2      LEU  54  -5.504  -0.033  -8.068
  388   2HD2  LEU  54          2HD2      LEU  54  -5.695   0.270  -6.341
  389   3HD2  LEU  54          3HD2      LEU  54  -6.220   1.480  -7.513
  390    H    ASP  55           H        ASP  55  -9.538  -0.578  -3.041
  391    HA   ASP  55           HA       ASP  55 -11.065   1.793  -2.673
  392   1HB   ASP  55          2HB       ASP  55 -11.972  -0.434  -2.142
  393   2HB   ASP  55          1HB       ASP  55 -10.791  -0.608  -0.850
  394    H    GLY  56           H        GLY  56 -10.200   3.589  -1.924
  395   1HA   GLY  56          2HA       GLY  56  -9.489   4.711   0.150
  396   2HA   GLY  56          1HA       GLY  56  -8.354   3.386   0.376
  397    H    SER  57           H        SER  57  -8.427   4.018  -2.855
  398    HA   SER  57           HA       SER  57  -6.399   6.138  -2.712
  399   1HB   SER  57          2HB       SER  57  -6.091   3.553  -4.258
  400   2HB   SER  57          1HB       SER  57  -4.972   4.914  -4.299
  401    HG   SER  57           HG       SER  57  -4.804   2.930  -2.732
  402    H    GLY  58           H        GLY  58  -5.872   7.024  -4.871
  403   1HA   GLY  58          2HA       GLY  58  -8.153   6.802  -6.738
  404   2HA   GLY  58          1HA       GLY  58  -7.224   8.281  -6.500
  405    H    LEU  59           H        LEU  59  -5.414   5.425  -6.343
  406    HA   LEU  59           HA       LEU  59  -4.147   6.058  -8.899
  407   1HB   LEU  59          2HB       LEU  59  -3.340   4.084  -6.754
  408   2HB   LEU  59          1HB       LEU  59  -2.383   4.525  -8.153
  409    HG   LEU  59           HG       LEU  59  -3.156   6.419  -5.933
  410   1HD1  LEU  59          1HD1      LEU  59  -0.539   5.037  -6.505
  411   2HD1  LEU  59          2HD1      LEU  59  -1.611   4.711  -5.144
  412   3HD1  LEU  59          3HD1      LEU  59  -0.804   6.272  -5.276
  413   1HD2  LEU  59          1HD2      LEU  59  -1.508   7.906  -6.973
  414   2HD2  LEU  59          2HD2      LEU  59  -2.837   7.536  -8.071
  415   3HD2  LEU  59          3HD2      LEU  59  -1.277   6.737  -8.272
  416    H    GLN  60           H        GLN  60  -3.275   3.790  -9.952
  417    HA   GLN  60           HA       GLN  60  -5.472   1.877 -10.005
  418   1HB   GLN  60          2HB       GLN  60  -5.984   3.454 -11.799
  419   2HB   GLN  60          1HB       GLN  60  -4.359   3.290 -12.438
  420   1HG   GLN  60          2HG       GLN  60  -5.927   2.050 -13.786
  421   2HG   GLN  60          1HG       GLN  60  -4.807   0.951 -12.982
  422   1HE2  GLN  60          1HE2      GLN  60  -5.593  -0.543 -11.549
  423   2HE2  GLN  60          2HE2      GLN  60  -7.278  -0.771 -11.243
  424    H    VAL  61           H        VAL  61  -4.525  -0.018  -9.609
  425    HA   VAL  61           HA       VAL  61  -1.813  -0.482 -10.603
  426    HB   VAL  61           HB       VAL  61  -2.135  -0.991  -8.242
  427   1HG1  VAL  61          1HG1      VAL  61  -4.229  -2.962  -9.146
  428   2HG1  VAL  61          2HG1      VAL  61  -4.511  -1.480  -8.232
  429   3HG1  VAL  61          3HG1      VAL  61  -3.605  -2.807  -7.504
  430   1HG2  VAL  61          1HG2      VAL  61  -1.797  -3.481  -9.911
  431   2HG2  VAL  61          2HG2      VAL  61  -1.318  -3.304  -8.223
  432   3HG2  VAL  61          3HG2      VAL  61  -0.533  -2.333  -9.468
  433    H    LYS  62           H        LYS  62  -1.407  -1.812 -12.250
  434    HA   LYS  62           HA       LYS  62  -3.470  -3.657 -13.175
  435   1HB   LYS  62          2HB       LYS  62  -3.196  -2.768 -15.521
  436   2HB   LYS  62          1HB       LYS  62  -4.060  -1.707 -14.418
  437   1HG   LYS  62          2HG       LYS  62  -1.995  -0.410 -14.090
  438   2HG   LYS  62          1HG       LYS  62  -1.182  -1.449 -15.263
  439   1HD   LYS  62          2HD       LYS  62  -3.645   0.176 -15.868
  440   2HD   LYS  62          1HD       LYS  62  -2.000   0.731 -16.177
  441   1HE   LYS  62          2HE       LYS  62  -1.654  -1.246 -17.627
  442   2HE   LYS  62          1HE       LYS  62  -3.345  -1.685 -17.377
  443   1HZ   LYS  62          1HZ       LYS  62  -2.375   0.835 -18.611
  444   2HZ   LYS  62          2HZ       LYS  62  -4.000   0.419 -18.363
  445   3HZ   LYS  62          3HZ       LYS  62  -3.054  -0.478 -19.447
  446    HA   PRO  63           HA       PRO  63   0.102  -6.147 -14.069
  447   1HB   PRO  63          2HB       PRO  63  -1.587  -7.481 -16.081
  448   2HB   PRO  63          1HB       PRO  63  -0.829  -8.153 -14.635
  449   1HG   PRO  63          2HG       PRO  63  -3.478  -7.783 -14.781
  450   2HG   PRO  63          1HG       PRO  63  -2.585  -7.533 -13.268
  451   1HD   PRO  63          2HD       PRO  63  -3.576  -5.500 -15.238
  452   2HD   PRO  63          1HD       PRO  63  -3.628  -5.463 -13.462
  453    H    LEU  64           H        LEU  64   1.734  -6.098 -15.493
  454    HA   LEU  64           HA       LEU  64   1.728  -4.185 -17.571
  455   1HB   LEU  64          2HB       LEU  64   3.670  -6.333 -16.761
  456   2HB   LEU  64          1HB       LEU  64   3.965  -5.297 -18.143
  457    HG   LEU  64           HG       LEU  64   3.577  -4.307 -15.315
  458   1HD1  LEU  64          1HD1      LEU  64   6.096  -4.632 -16.941
  459   2HD1  LEU  64          2HD1      LEU  64   5.646  -5.567 -15.513
  460   3HD1  LEU  64          3HD1      LEU  64   5.979  -3.842 -15.368
  461   1HD2  LEU  64          1HD2      LEU  64   2.896  -2.688 -16.990
  462   2HD2  LEU  64          2HD2      LEU  64   4.421  -2.903 -17.847
  463   3HD2  LEU  64          3HD2      LEU  64   4.409  -2.187 -16.234
  464    H    GLY  65           H        GLY  65   1.678  -7.743 -17.622
  465   1HA   GLY  65          2HA       GLY  65   0.025  -7.862 -19.877
  466   2HA   GLY  65          1HA       GLY  65   1.693  -8.017 -20.412
  467    H    ASN  66           H        ASN  66   2.955  -9.593 -18.791
  468    HA   ASN  66           HA       ASN  66   1.493 -12.099 -19.082
  469   1HB   ASN  66          2HB       ASN  66   4.389 -11.400 -18.804
  470   2HB   ASN  66          1HB       ASN  66   3.851 -13.027 -18.402
  471   1HD2  ASN  66          1HD2      ASN  66   1.756 -13.107 -20.378
  472   2HD2  ASN  66          2HD2      ASN  66   2.541 -13.260 -21.917
  473    H    ASN  67           H        ASN  67   3.911 -11.206 -16.633
  474    HA   ASN  67           HA       ASN  67   2.006 -11.967 -14.548
  475   1HB   ASN  67          2HB       ASN  67   3.263 -14.013 -15.318
  476   2HB   ASN  67          1HB       ASN  67   4.740 -13.244 -14.756
  477   1HD2  ASN  67          1HD2      ASN  67   1.593 -13.052 -13.177
  478   2HD2  ASN  67          2HD2      ASN  67   2.069 -13.920 -11.757
  479    H    SER  68           H        SER  68   3.005  -9.398 -15.136
  480    HA   SER  68           HA       SER  68   4.259  -8.834 -12.562
  481   1HB   SER  68          2HB       SER  68   5.198  -7.534 -15.142
  482   2HB   SER  68          1HB       SER  68   5.906  -7.363 -13.535
  483    HG   SER  68           HG       SER  68   6.154  -9.806 -13.783
  484    H    TRP  69           H        TRP  69   4.227  -6.194 -12.451
  485    HA   TRP  69           HA       TRP  69   1.586  -5.364 -13.391
  486   1HB   TRP  69          2HB       TRP  69   2.410  -5.322 -10.482
  487   2HB   TRP  69          1HB       TRP  69   0.981  -4.546 -11.137
  488    HD1  TRP  69           HD       TRP  69   0.550  -7.544 -12.921
  489    HE1  TRP  69           1HE      TRP  69  -0.744  -9.329 -11.573
  490    HE3  TRP  69           3HE      TRP  69   1.166  -5.608  -8.293
  491    HZ2  TRP  69           2HZ      TRP  69  -1.448  -9.803  -8.865
  492    HZ3  TRP  69           3HZ      TRP  69   0.175  -6.739  -6.366
  493    HH2  TRP  69           HH       TRP  69  -1.114  -8.806  -6.638
  494    H    THR  70           H        THR  70   1.239  -3.020 -12.893
  495    HA   THR  70           HA       THR  70   3.667  -1.534 -12.239
  496    HB   THR  70           HB       THR  70   3.656  -1.566 -14.687
  497    HG1  THR  70           1HG      THR  70   2.738   1.025 -14.334
  498   1HG2  THR  70          1HG2      THR  70   0.899  -0.346 -14.475
  499   2HG2  THR  70          2HG2      THR  70   1.276  -1.966 -15.062
  500   3HG2  THR  70          3HG2      THR  70   1.824  -0.553 -15.964
  501    H    LEU  71           H        LEU  71   3.262   0.371 -11.127
  502    HA   LEU  71           HA       LEU  71   0.473   0.790 -10.348
  503   1HB   LEU  71          2HB       LEU  71   2.609   0.720  -8.790
  504   2HB   LEU  71          1HB       LEU  71   2.751   2.399  -9.269
  505    HG   LEU  71           HG       LEU  71   1.616   2.173  -7.115
  506   1HD1  LEU  71          1HD1      LEU  71   1.012   4.067  -8.513
  507   2HD1  LEU  71          2HD1      LEU  71  -0.383   3.498  -7.592
  508   3HD1  LEU  71          3HD1      LEU  71  -0.234   3.101  -9.304
  509   1HD2  LEU  71          1HD2      LEU  71   0.638  -0.029  -7.437
  510   2HD2  LEU  71          2HD2      LEU  71  -0.462   0.622  -8.653
  511   3HD2  LEU  71          3HD2      LEU  71  -0.596   1.143  -6.973
  512    H    GLU  72           H        GLU  72  -0.438   1.790 -11.983
  513    HA   GLU  72           HA       GLU  72   0.724   4.119 -13.225
  514   1HB   GLU  72          2HB       GLU  72  -2.037   2.948 -13.566
  515   2HB   GLU  72          1HB       GLU  72  -1.286   4.148 -14.608
  516   1HG   GLU  72          2HG       GLU  72  -0.292   1.339 -14.183
  517   2HG   GLU  72          1HG       GLU  72  -1.237   1.892 -15.563
  518    HA   PRO  73           HA       PRO  73  -1.446   6.877 -10.454
  519   1HB   PRO  73          2HB       PRO  73   0.102   9.032 -10.922
  520   2HB   PRO  73          1HB       PRO  73   0.625   7.713  -9.873
  521   1HG   PRO  73          2HG       PRO  73   1.502   8.403 -12.612
  522   2HG   PRO  73          1HG       PRO  73   2.382   7.553 -11.333
  523   1HD   PRO  73          2HD       PRO  73   1.039   6.414 -13.568
  524   2HD   PRO  73          1HD       PRO  73   1.793   5.555 -12.213
  525    H    ALA  74           H        ALA  74  -3.354   7.448 -11.248
  526    HA   ALA  74           HA       ALA  74  -3.648   9.605 -13.071
  527   1HB   ALA  74          1HB       ALA  74  -3.139   7.872 -14.724
  528   2HB   ALA  74          2HB       ALA  74  -4.814   8.409 -14.866
  529   3HB   ALA  74          3HB       ALA  74  -4.442   6.872 -14.086
  530    HA   PRO  75           HA       PRO  75  -7.069   8.616 -10.131
  531   1HB   PRO  75          2HB       PRO  75  -6.842  11.316  -9.124
  532   2HB   PRO  75          1HB       PRO  75  -6.533   9.803  -8.275
  533   1HG   PRO  75          2HG       PRO  75  -4.591  11.625  -8.955
  534   2HG   PRO  75          1HG       PRO  75  -4.290   9.902  -8.667
  535   1HD   PRO  75          2HD       PRO  75  -4.543  11.381 -11.255
  536   2HD   PRO  75          1HD       PRO  75  -3.479  10.024 -10.823
  537    H    ALA  76           H        ALA  76  -6.953  12.070 -10.677
  538    HA   ALA  76           HA       ALA  76  -8.841  11.906 -12.897
  539   1HB   ALA  76          1HB       ALA  76 -10.224  13.705 -11.965
  540   2HB   ALA  76          2HB       ALA  76  -9.242  13.712 -10.499
  541   3HB   ALA  76          3HB       ALA  76 -10.225  12.302 -10.896
  542    HA   PRO  77           HA       PRO  77  -5.178  14.746 -12.947
  543   1HB   PRO  77          2HB       PRO  77  -3.537  13.416 -14.601
  544   2HB   PRO  77          1HB       PRO  77  -3.777  12.924 -12.918
  545   1HG   PRO  77          2HG       PRO  77  -4.755  11.656 -15.398
  546   2HG   PRO  77          1HG       PRO  77  -4.444  10.945 -13.804
  547   1HD   PRO  77          2HD       PRO  77  -6.958  11.782 -14.905
  548   2HD   PRO  77          1HD       PRO  77  -6.641  11.085 -13.306
  549    H    LYS  78           H        LYS  78  -7.428  14.019 -15.252
  550    HA   LYS  78           HA       LYS  78  -6.653  16.431 -16.684
  551   1HB   LYS  78          2HB       LYS  78  -5.916  14.577 -18.128
  552   2HB   LYS  78          1HB       LYS  78  -7.545  13.910 -18.100
  553   1HG   LYS  78          2HG       LYS  78  -8.417  15.710 -19.343
  554   2HG   LYS  78          1HG       LYS  78  -6.964  16.683 -19.099
  555   1HD   LYS  78          2HD       LYS  78  -6.941  14.073 -20.592
  556   2HD   LYS  78          1HD       LYS  78  -7.255  15.619 -21.383
  557   1HE   LYS  78          2HE       LYS  78  -4.783  14.971 -19.782
  558   2HE   LYS  78          1HE       LYS  78  -4.891  14.898 -21.541
  559   1HZ   LYS  78          1HZ       LYS  78  -3.933  16.972 -20.957
  560   2HZ   LYS  78          2HZ       LYS  78  -5.146  17.308 -19.821
  561   3HZ   LYS  78          3HZ       LYS  78  -5.514  17.296 -21.479
  562    H    GLU  79           H        GLU  79  -8.156  17.448 -15.484
  563    HA   GLU  79           HA       GLU  79 -10.787  16.500 -15.025
  564   1HB   GLU  79          2HB       GLU  79  -9.396  18.090 -13.619
  565   2HB   GLU  79          1HB       GLU  79  -9.789  19.336 -14.791
  566   1HG   GLU  79          2HG       GLU  79 -12.085  19.253 -14.239
  567   2HG   GLU  79          1HG       GLU  79 -11.868  17.787 -13.283
  568    H    ASP  80           H        ASP  80 -12.721  17.156 -15.870
  569    HA   ASP  80           HA       ASP  80 -14.244  17.816 -17.396
  570   1HB   ASP  80          2HB       ASP  80 -13.309  20.086 -17.198
  571   2HB   ASP  80          1HB       ASP  80 -12.127  19.700 -18.447
  Start of MODEL   10
    1   1H    ALA   1          1HT       ALA   1  -8.020 -19.752  -3.351
    2   2H    ALA   1          2HT       ALA   1  -6.578 -20.225  -2.593
    3   3H    ALA   1          3HT       ALA   1  -6.896 -20.717  -4.183
    4    HA   ALA   1           HA       ALA   1  -5.270 -18.891  -4.022
    5   1HB   ALA   1          1HB       ALA   1  -7.864 -18.254  -5.435
    6   2HB   ALA   1          2HB       ALA   1  -6.553 -19.249  -6.070
    7   3HB   ALA   1          3HB       ALA   1  -6.295 -17.529  -5.786
    8    H    GLN   2           H        GLN   2  -5.859 -18.551  -1.538
    9    HA   GLN   2           HA       GLN   2  -7.428 -16.106  -1.197
   10   1HB   GLN   2          2HB       GLN   2  -6.498 -18.205   0.753
   11   2HB   GLN   2          1HB       GLN   2  -7.232 -16.690   1.260
   12   1HG   GLN   2          2HG       GLN   2  -9.244 -17.257  -0.025
   13   2HG   GLN   2          1HG       GLN   2  -8.505 -18.794  -0.470
   14   1HE2  GLN   2          1HE2      GLN   2 -10.156 -19.952   0.511
   15   2HE2  GLN   2          2HE2      GLN   2 -10.294 -20.086   2.234
   16    H    VAL   3           H        VAL   3  -6.727 -14.605   0.385
   17    HA   VAL   3           HA       VAL   3  -3.886 -14.326   0.921
   18    HB   VAL   3           HB       VAL   3  -5.415 -12.069  -0.426
   19   1HG1  VAL   3          1HG1      VAL   3  -3.246 -10.955  -0.510
   20   2HG1  VAL   3          2HG1      VAL   3  -2.513 -12.318   0.335
   21   3HG1  VAL   3          3HG1      VAL   3  -3.721 -11.325   1.147
   22   1HG2  VAL   3          1HG2      VAL   3  -4.928 -13.845  -2.047
   23   2HG2  VAL   3          2HG2      VAL   3  -3.219 -13.767  -1.609
   24   3HG2  VAL   3          3HG2      VAL   3  -4.002 -12.381  -2.370
   25    H    ASN   4           H        ASN   4  -3.578 -12.729   2.682
   26    HA   ASN   4           HA       ASN   4  -6.090 -12.227   4.120
   27   1HB   ASN   4          2HB       ASN   4  -3.538 -13.425   5.202
   28   2HB   ASN   4          1HB       ASN   4  -4.708 -12.633   6.248
   29   1HD2  ASN   4          1HD2      ASN   4  -6.970 -13.580   4.610
   30   2HD2  ASN   4          2HD2      ASN   4  -7.166 -15.246   5.026
   31    H    ILE   5           H        ILE   5  -6.270 -10.121   3.898
   32    HA   ILE   5           HA       ILE   5  -3.935  -8.446   4.526
   33    HB   ILE   5           HB       ILE   5  -6.219  -7.778   2.650
   34   1HG1  ILE   5          2HG1      ILE   5  -3.314  -8.396   2.062
   35   2HG1  ILE   5          1HG1      ILE   5  -4.667  -9.468   1.735
   36   1HG2  ILE   5          1HG2      ILE   5  -3.707  -6.232   3.276
   37   2HG2  ILE   5          2HG2      ILE   5  -5.331  -5.817   3.826
   38   3HG2  ILE   5          3HG2      ILE   5  -4.944  -5.776   2.105
   39   1HD1  ILE   5          1HD1      ILE   5  -4.218  -6.775   0.479
   40   2HD1  ILE   5          2HD1      ILE   5  -5.557  -7.869   0.134
   41   3HD1  ILE   5          3HD1      ILE   5  -3.907  -8.337  -0.277
   42    H    ALA   6           H        ALA   6  -4.341  -6.575   5.751
   43    HA   ALA   6           HA       ALA   6  -6.881  -6.116   7.001
   44   1HB   ALA   6          1HB       ALA   6  -6.101  -6.771   9.278
   45   2HB   ALA   6          2HB       ALA   6  -4.664  -7.482   8.548
   46   3HB   ALA   6          3HB       ALA   6  -6.256  -8.147   8.185
   47    HA   PRO   7           HA       PRO   7  -5.636  -2.027   7.985
   48   1HB   PRO   7          2HB       PRO   7  -4.805  -2.500  10.745
   49   2HB   PRO   7          1HB       PRO   7  -6.136  -1.520  10.128
   50   1HG   PRO   7          2HG       PRO   7  -6.183  -4.238  11.170
   51   2HG   PRO   7          1HG       PRO   7  -7.537  -3.155  10.813
   52   1HD   PRO   7          2HD       PRO   7  -7.018  -5.402   9.375
   53   2HD   PRO   7          1HD       PRO   7  -7.783  -3.963   8.674
   54    H    GLY   8           H        GLY   8  -3.836  -0.954   7.506
   55   1HA   GLY   8          2HA       GLY   8  -1.333  -0.982   8.404
   56   2HA   GLY   8          1HA       GLY   8  -1.362  -2.448   7.424
   57    H    SER   9           H        SER   9   0.361  -0.541   6.631
   58    HA   SER   9           HA       SER   9  -0.731   1.358   4.821
   59   1HB   SER   9          2HB       SER   9   1.694   1.088   5.921
   60   2HB   SER   9          1HB       SER   9   2.016   0.241   4.407
   61    HG   SER   9           HG       SER   9   1.670   2.078   3.277
   62    H    LEU  10           H        LEU  10  -1.142   1.196   2.632
   63    HA   LEU  10           HA       LEU  10  -1.952  -1.284   1.609
   64   1HB   LEU  10          2HB       LEU  10  -2.846   0.910   0.900
   65   2HB   LEU  10          1HB       LEU  10  -1.319   1.263   0.118
   66    HG   LEU  10           HG       LEU  10  -1.682  -0.646  -1.416
   67   1HD1  LEU  10          1HD1      LEU  10  -3.900  -1.685  -1.512
   68   2HD1  LEU  10          2HD1      LEU  10  -4.369  -0.808  -0.055
   69   3HD1  LEU  10          3HD1      LEU  10  -3.087  -2.017   0.018
   70   1HD2  LEU  10          1HD2      LEU  10  -2.352   1.624  -2.052
   71   2HD2  LEU  10          2HD2      LEU  10  -3.949   1.345  -1.355
   72   3HD2  LEU  10          3HD2      LEU  10  -3.421   0.409  -2.754
   73    H    ASP  11           H        ASP  11   1.030   0.490   1.427
   74    HA   ASP  11           HA       ASP  11   2.495  -0.776  -0.503
   75   1HB   ASP  11          2HB       ASP  11   3.510  -0.261   2.300
   76   2HB   ASP  11          1HB       ASP  11   4.462  -0.313   0.822
   77    H    LYS  12           H        LYS  12   1.898  -1.896   2.822
   78    HA   LYS  12           HA       LYS  12   3.380  -4.293   2.578
   79   1HB   LYS  12          2HB       LYS  12   2.978  -3.267   4.738
   80   2HB   LYS  12          1HB       LYS  12   1.242  -3.415   4.525
   81   1HG   LYS  12          2HG       LYS  12   1.444  -5.856   4.596
   82   2HG   LYS  12          1HG       LYS  12   3.186  -5.695   4.833
   83   1HD   LYS  12          2HD       LYS  12   2.836  -4.540   6.921
   84   2HD   LYS  12          1HD       LYS  12   1.091  -4.541   6.667
   85   1HE   LYS  12          2HE       LYS  12   2.822  -6.986   7.015
   86   2HE   LYS  12          1HE       LYS  12   1.789  -6.273   8.254
   87   1HZ   LYS  12          1HZ       LYS  12   0.611  -8.074   7.299
   88   2HZ   LYS  12          2HZ       LYS  12   0.946  -7.561   5.721
   89   3HZ   LYS  12          3HZ       LYS  12  -0.111  -6.660   6.696
   90    H    ALA  13           H        ALA  13   0.058  -3.383   1.892
   91    HA   ALA  13           HA       ALA  13  -1.033  -6.001   1.860
   92   1HB   ALA  13          1HB       ALA  13  -2.412  -3.962   2.027
   93   2HB   ALA  13          2HB       ALA  13  -2.911  -5.006   0.698
   94   3HB   ALA  13          3HB       ALA  13  -1.972  -3.550   0.369
   95    H    LEU  14           H        LEU  14  -0.035  -3.812  -0.781
   96    HA   LEU  14           HA       LEU  14  -0.072  -5.617  -2.876
   97   1HB   LEU  14          2HB       LEU  14   1.873  -3.358  -2.373
   98   2HB   LEU  14          1HB       LEU  14   1.641  -4.156  -3.917
   99    HG   LEU  14           HG       LEU  14  -0.501  -2.607  -2.464
  100   1HD1  LEU  14          1HD1      LEU  14   1.247  -1.806  -4.785
  101   2HD1  LEU  14          2HD1      LEU  14   1.283  -1.119  -3.161
  102   3HD1  LEU  14          3HD1      LEU  14  -0.137  -0.895  -4.182
  103   1HD2  LEU  14          1HD2      LEU  14  -0.373  -3.733  -5.257
  104   2HD2  LEU  14          2HD2      LEU  14  -1.681  -2.750  -4.599
  105   3HD2  LEU  14          3HD2      LEU  14  -1.359  -4.350  -3.933
  106    H    ASN  15           H        ASN  15   2.429  -5.009  -0.465
  107    HA   ASN  15           HA       ASN  15   4.449  -6.623  -1.578
  108   1HB   ASN  15          2HB       ASN  15   4.879  -4.968   0.189
  109   2HB   ASN  15          1HB       ASN  15   3.932  -5.925   1.323
  110   1HD2  ASN  15          1HD2      ASN  15   4.818  -7.741   2.240
  111   2HD2  ASN  15          2HD2      ASN  15   6.494  -8.151   2.080
  112    H    GLN  16           H        GLN  16   1.842  -7.335   0.728
  113    HA   GLN  16           HA       GLN  16   2.530  -9.943   1.352
  114   1HB   GLN  16          2HB       GLN  16   0.820  -8.657   2.538
  115   2HB   GLN  16          1HB       GLN  16  -0.212  -8.697   1.118
  116   1HG   GLN  16          2HG       GLN  16  -0.955 -10.302   2.763
  117   2HG   GLN  16          1HG       GLN  16  -0.389 -11.123   1.311
  118   1HE2  GLN  16          1HE2      GLN  16   1.531 -12.293   1.382
  119   2HE2  GLN  16          2HE2      GLN  16   2.261 -12.779   2.879
  120    H    TYR  17           H        TYR  17   0.499  -8.736  -1.344
  121    HA   TYR  17           HA       TYR  17  -0.153 -11.335  -2.303
  122   1HB   TYR  17          2HB       TYR  17  -1.148  -8.895  -2.785
  123   2HB   TYR  17          1HB       TYR  17  -0.042  -8.997  -4.142
  124    HD1  TYR  17           1HD      TYR  17  -0.225 -11.244  -5.536
  125    HD2  TYR  17           2HD      TYR  17  -3.324  -9.687  -3.077
  126    HE1  TYR  17           1HE      TYR  17  -1.882 -12.539  -6.813
  127    HE2  TYR  17           2HE      TYR  17  -4.987 -10.973  -4.340
  128    HH   TYR  17           HH       TYR  17  -4.127 -13.443  -6.538
  129    H    ALA  18           H        ALA  18   2.226  -8.870  -3.114
  130    HA   ALA  18           HA       ALA  18   3.488 -10.037  -5.272
  131   1HB   ALA  18          1HB       ALA  18   5.437  -8.685  -4.698
  132   2HB   ALA  18          2HB       ALA  18   4.767  -8.396  -3.094
  133   3HB   ALA  18          3HB       ALA  18   3.942  -7.766  -4.519
  134    H    ALA  19           H        ALA  19   4.385 -10.407  -1.832
  135    HA   ALA  19           HA       ALA  19   6.524 -12.194  -2.352
  136   1HB   ALA  19          1HB       ALA  19   4.954 -11.787   0.189
  137   2HB   ALA  19          2HB       ALA  19   6.383 -10.876  -0.302
  138   3HB   ALA  19          3HB       ALA  19   6.514 -12.598   0.051
  139    H    HIS  20           H        HIS  20   3.106 -12.608  -1.981
  140    HA   HIS  20           HA       HIS  20   3.009 -15.302  -1.232
  141   1HB   HIS  20          2HB       HIS  20   1.051 -13.913  -1.059
  142   2HB   HIS  20          1HB       HIS  20   1.063 -13.588  -2.786
  143    HD1  HIS  20           1HD      HIS  20   0.874 -16.770  -0.652
  144    HD2  HIS  20           2HD      HIS  20  -0.874 -15.011  -3.998
  145    HE1  HIS  20           1HE      HIS  20  -0.913 -18.370  -1.413
  146    HE2  HIS  20           2HE      HIS  20  -2.038 -17.231  -3.364
  147    H    SER  21           H        SER  21   2.917 -13.856  -4.522
  148    HA   SER  21           HA       SER  21   3.304 -16.581  -5.552
  149   1HB   SER  21          2HB       SER  21   1.272 -15.083  -6.202
  150   2HB   SER  21          1HB       SER  21   2.422 -14.280  -7.264
  151    HG   SER  21           HG       SER  21   1.137 -16.615  -7.601
  152    H    GLY  22           H        GLY  22   5.077 -13.989  -4.802
  153   1HA   GLY  22          2HA       GLY  22   7.236 -13.379  -5.226
  154   2HA   GLY  22          1HA       GLY  22   7.407 -14.945  -5.994
  155    H    PHE  23           H        PHE  23   5.493 -12.078  -6.928
  156    HA   PHE  23           HA       PHE  23   6.861 -12.203  -9.523
  157   1HB   PHE  23          2HB       PHE  23   4.855 -10.763 -10.264
  158   2HB   PHE  23          1HB       PHE  23   4.598 -12.477  -9.976
  159    HD1  PHE  23           1HD      PHE  23   2.922 -13.175  -8.539
  160    HD2  PHE  23           2HD      PHE  23   4.303  -9.158  -8.363
  161    HE1  PHE  23           1HE      PHE  23   1.123 -12.624  -6.960
  162    HE2  PHE  23           2HE      PHE  23   2.505  -8.605  -6.783
  163    HZ   PHE  23           HZ       PHE  23   0.867 -10.353  -6.136
  164    H    THR  24           H        THR  24   6.998 -10.109 -10.698
  165    HA   THR  24           HA       THR  24   8.380  -8.235  -8.944
  166    HB   THR  24           HB       THR  24   8.320  -8.177 -11.958
  167    HG1  THR  24           1HG      THR  24   9.766  -9.814 -10.151
  168   1HG2  THR  24          1HG2      THR  24   9.243  -6.188 -10.918
  169   2HG2  THR  24          2HG2      THR  24  10.549  -7.131 -11.640
  170   3HG2  THR  24          3HG2      THR  24  10.287  -7.176  -9.895
  171    H    LEU  25           H        LEU  25   7.239  -6.659  -8.143
  172    HA   LEU  25           HA       LEU  25   5.056  -5.400  -9.585
  173   1HB   LEU  25          2HB       LEU  25   5.908  -5.607  -6.853
  174   2HB   LEU  25          1HB       LEU  25   5.681  -3.918  -7.269
  175    HG   LEU  25           HG       LEU  25   3.661  -4.998  -6.299
  176   1HD1  LEU  25          1HD1      LEU  25   3.363  -4.076  -9.158
  177   2HD1  LEU  25          2HD1      LEU  25   3.472  -3.026  -7.746
  178   3HD1  LEU  25          3HD1      LEU  25   2.091  -4.105  -7.934
  179   1HD2  LEU  25          1HD2      LEU  25   3.659  -6.548  -8.875
  180   2HD2  LEU  25          2HD2      LEU  25   2.406  -6.572  -7.632
  181   3HD2  LEU  25          3HD2      LEU  25   4.014  -7.210  -7.280
  182    H    SER  26           H        SER  26   5.284  -3.716 -10.886
  183    HA   SER  26           HA       SER  26   7.697  -2.060 -10.641
  184   1HB   SER  26          2HB       SER  26   7.179  -3.128 -12.864
  185   2HB   SER  26          1HB       SER  26   5.706  -2.164 -12.925
  186    HG   SER  26           HG       SER  26   8.394  -1.250 -12.935
  187    H    VAL  27           H        VAL  27   7.044  -0.768  -8.930
  188    HA   VAL  27           HA       VAL  27   5.090   1.289  -9.612
  189    HB   VAL  27           HB       VAL  27   3.749  -0.323  -8.389
  190   1HG1  VAL  27          1HG1      VAL  27   5.518  -1.482  -7.183
  191   2HG1  VAL  27          2HG1      VAL  27   4.246  -0.954  -6.081
  192   3HG1  VAL  27          3HG1      VAL  27   5.766  -0.065  -6.163
  193   1HG2  VAL  27          1HG2      VAL  27   2.969   1.095  -6.537
  194   2HG2  VAL  27          2HG2      VAL  27   3.249   2.018  -8.013
  195   3HG2  VAL  27          3HG2      VAL  27   4.422   2.082  -6.698
  196    H    ASP  28           H        ASP  28   5.644   3.260  -8.905
  197    HA   ASP  28           HA       ASP  28   8.226   3.713  -7.812
  198   1HB   ASP  28          2HB       ASP  28   7.198   5.305  -9.360
  199   2HB   ASP  28          1HB       ASP  28   5.885   5.591  -8.225
  200    H    ALA  29           H        ALA  29   8.784   3.511  -5.773
  201    HA   ALA  29           HA       ALA  29   7.028   3.186  -3.596
  202   1HB   ALA  29          1HB       ALA  29   9.016   3.294  -2.200
  203   2HB   ALA  29          2HB       ALA  29   9.943   3.955  -3.546
  204   3HB   ALA  29          3HB       ALA  29   9.315   2.310  -3.633
  205    H    SER  30           H        SER  30   5.759   5.181  -4.280
  206    HA   SER  30           HA       SER  30   6.011   7.173  -2.300
  207   1HB   SER  30          2HB       SER  30   7.828   7.969  -3.787
  208   2HB   SER  30          1HB       SER  30   6.683   8.063  -5.123
  209    HG   SER  30           HG       SER  30   7.112  10.072  -3.953
  210    H    LEU  31           H        LEU  31   4.691   5.986  -5.289
  211    HA   LEU  31           HA       LEU  31   2.434   7.608  -5.539
  212   1HB   LEU  31          2HB       LEU  31   2.812   4.705  -6.277
  213   2HB   LEU  31          1HB       LEU  31   1.480   5.705  -6.823
  214    HG   LEU  31           HG       LEU  31   4.397   6.160  -7.465
  215   1HD1  LEU  31          1HD1      LEU  31   2.136   5.194  -9.206
  216   2HD1  LEU  31          2HD1      LEU  31   3.462   4.205  -8.594
  217   3HD1  LEU  31          3HD1      LEU  31   3.788   5.517  -9.727
  218   1HD2  LEU  31          1HD2      LEU  31   3.596   7.889  -8.977
  219   2HD2  LEU  31          2HD2      LEU  31   3.117   8.247  -7.318
  220   3HD2  LEU  31          3HD2      LEU  31   1.936   7.597  -8.456
  221    H    THR  32           H        THR  32   2.781   4.468  -3.910
  222    HA   THR  32           HA       THR  32   0.158   4.867  -2.673
  223    HB   THR  32           HB       THR  32   0.371   2.762  -3.841
  224    HG1  THR  32           1HG      THR  32   0.396   2.551  -1.002
  225   1HG2  THR  32          1HG2      THR  32   2.742   2.208  -2.055
  226   2HG2  THR  32          2HG2      THR  32   2.797   2.533  -3.788
  227   3HG2  THR  32          3HG2      THR  32   2.014   1.070  -3.190
  228    H    ARG  33           H        ARG  33   3.016   5.896  -1.897
  229    HA   ARG  33           HA       ARG  33   3.549   4.670   0.631
  230   1HB   ARG  33          2HB       ARG  33   5.282   5.814  -0.755
  231   2HB   ARG  33          1HB       ARG  33   4.515   7.351  -0.381
  232   1HG   ARG  33          2HG       ARG  33   4.884   6.700   2.080
  233   2HG   ARG  33          1HG       ARG  33   6.008   5.498   1.439
  234   1HD   ARG  33          2HD       ARG  33   7.208   7.509   2.025
  235   2HD   ARG  33          1HD       ARG  33   7.223   7.296   0.274
  236    HE   ARG  33           HE       ARG  33   5.187   9.035   1.465
  237   1HH1  ARG  33          1HH1      ARG  33   8.150   8.715  -0.388
  238   2HH1  ARG  33          2HH1      ARG  33   8.032  10.316  -1.066
  239   1HH2  ARG  33          1HH2      ARG  33   5.038  11.118   0.564
  240   2HH2  ARG  33          2HH2      ARG  33   6.280  11.681  -0.509
  241    H    GLY  34           H        GLY  34   2.711   5.119   2.565
  242   1HA   GLY  34          2HA       GLY  34   1.775   6.438   4.260
  243   2HA   GLY  34          1HA       GLY  34   1.517   7.725   3.089
  244    H    LYS  35           H        LYS  35   0.444   5.070   1.603
  245    HA   LYS  35           HA       LYS  35  -2.336   5.672   2.188
  246   1HB   LYS  35          2HB       LYS  35  -1.405   5.433  -0.123
  247   2HB   LYS  35          1HB       LYS  35  -1.154   3.729   0.212
  248   1HG   LYS  35          2HG       LYS  35  -3.352   3.230   0.070
  249   2HG   LYS  35          1HG       LYS  35  -3.865   4.820   0.649
  250   1HD   LYS  35          2HD       LYS  35  -3.168   5.804  -1.469
  251   2HD   LYS  35          1HD       LYS  35  -2.699   4.209  -2.064
  252   1HE   LYS  35          2HE       LYS  35  -4.883   4.790  -2.922
  253   2HE   LYS  35          1HE       LYS  35  -5.018   3.449  -1.782
  254   1HZ   LYS  35          1HZ       LYS  35  -6.751   5.028  -1.357
  255   2HZ   LYS  35          2HZ       LYS  35  -5.639   6.303  -1.228
  256   3HZ   LYS  35          3HZ       LYS  35  -5.657   5.065  -0.066
  257    H    GLN  36           H        GLN  36  -3.755   4.217   3.190
  258    HA   GLN  36           HA       GLN  36  -2.594   1.665   4.111
  259   1HB   GLN  36          2HB       GLN  36  -4.331   3.502   5.770
  260   2HB   GLN  36          1HB       GLN  36  -3.636   1.973   6.288
  261   1HG   GLN  36          2HG       GLN  36  -1.379   2.959   5.977
  262   2HG   GLN  36          1HG       GLN  36  -2.152   4.505   5.634
  263   1HE2  GLN  36          1HE2      GLN  36  -1.262   5.540   7.392
  264   2HE2  GLN  36          2HE2      GLN  36  -1.720   5.181   9.022
  265    H    SER  37           H        SER  37  -4.136  -0.084   4.409
  266    HA   SER  37           HA       SER  37  -6.791   0.483   3.309
  267   1HB   SER  37          2HB       SER  37  -5.273  -0.726   1.683
  268   2HB   SER  37          1HB       SER  37  -5.165  -2.036   2.855
  269    HG   SER  37           HG       SER  37  -7.339  -1.238   1.272
  270    H    ASN  38           H        ASN  38  -8.404  -0.241   4.581
  271    HA   ASN  38           HA       ASN  38  -7.772  -1.222   7.163
  272   1HB   ASN  38          2HB       ASN  38 -10.475  -0.907   5.862
  273   2HB   ASN  38          1HB       ASN  38 -10.198  -1.201   7.575
  274   1HD2  ASN  38          1HD2      ASN  38  -7.704   0.579   7.234
  275   2HD2  ASN  38          2HD2      ASN  38  -8.346   2.185   7.344
  276    H    GLY  39           H        GLY  39  -8.290  -2.916   4.279
  277   1HA   GLY  39          2HA       GLY  39  -7.236  -5.220   4.952
  278   2HA   GLY  39          1HA       GLY  39  -8.746  -5.379   5.830
  279    H    LEU  40           H        LEU  40  -8.080  -7.298   4.042
  280    HA   LEU  40           HA       LEU  40 -10.195  -7.229   2.154
  281   1HB   LEU  40          2HB       LEU  40  -8.582  -5.934   0.866
  282   2HB   LEU  40          1HB       LEU  40  -7.345  -7.143   1.142
  283    HG   LEU  40           HG       LEU  40  -8.593  -8.746  -0.224
  284   1HD1  LEU  40          1HD1      LEU  40 -10.507  -6.475  -0.723
  285   2HD1  LEU  40          2HD1      LEU  40 -10.847  -7.918   0.234
  286   3HD1  LEU  40          3HD1      LEU  40 -10.537  -8.061  -1.497
  287   1HD2  LEU  40          1HD2      LEU  40  -8.143  -6.094  -1.580
  288   2HD2  LEU  40          2HD2      LEU  40  -8.274  -7.655  -2.389
  289   3HD2  LEU  40          3HD2      LEU  40  -6.930  -7.341  -1.293
  290    H    HIS  41           H        HIS  41 -10.924  -9.338   2.107
  291    HA   HIS  41           HA       HIS  41  -8.959 -11.502   2.306
  292   1HB   HIS  41          2HB       HIS  41 -10.316 -12.629   4.111
  293   2HB   HIS  41          1HB       HIS  41  -9.438 -11.195   4.622
  294    HD1  HIS  41           1HD      HIS  41 -12.877 -12.556   4.197
  295    HD2  HIS  41           2HD      HIS  41 -11.046  -8.984   5.285
  296    HE1  HIS  41           1HE      HIS  41 -14.690 -11.151   5.225
  297    HE2  HIS  41           2HE      HIS  41 -13.498  -9.111   6.104
  298    H    GLY  42           H        GLY  42  -9.427 -12.541   0.413
  299   1HA   GLY  42          2HA       GLY  42 -11.765 -14.210   0.507
  300   2HA   GLY  42          1HA       GLY  42 -11.860 -13.019  -0.779
  301    H    ASP  43           H        ASP  43 -11.987 -15.473  -1.667
  302    HA   ASP  43           HA       ASP  43  -9.352 -16.255  -2.643
  303   1HB   ASP  43          2HB       ASP  43 -12.140 -17.282  -2.971
  304   2HB   ASP  43          1HB       ASP  43 -11.004 -17.602  -4.274
  305    H    TYR  44           H        TYR  44  -8.425 -15.057  -4.206
  306    HA   TYR  44           HA       TYR  44 -10.181 -13.142  -5.574
  307   1HB   TYR  44          2HB       TYR  44  -7.186 -13.034  -5.272
  308   2HB   TYR  44          1HB       TYR  44  -8.229 -11.749  -5.863
  309    HD1  TYR  44           1HD      TYR  44  -6.538 -13.078  -3.055
  310    HD2  TYR  44           2HD      TYR  44 -10.007 -10.911  -4.211
  311    HE1  TYR  44           1HE      TYR  44  -6.757 -12.201  -0.763
  312    HE2  TYR  44           2HE      TYR  44 -10.231 -10.028  -1.937
  313    HH   TYR  44           HH       TYR  44  -9.568 -10.626   0.320
  314    H    ASP  45           H        ASP  45 -10.238 -12.917  -7.747
  315    HA   ASP  45           HA       ASP  45  -8.260 -14.313  -9.381
  316   1HB   ASP  45          2HB       ASP  45 -10.552 -12.471 -10.139
  317   2HB   ASP  45          1HB       ASP  45  -9.461 -13.230 -11.295
  318    H    VAL  46           H        VAL  46  -6.694 -13.085 -10.586
  319    HA   VAL  46           HA       VAL  46  -5.254 -11.423  -8.967
  320    HB   VAL  46           HB       VAL  46  -5.172 -11.467 -11.987
  321   1HG1  VAL  46          1HG1      VAL  46  -4.066  -9.480 -11.065
  322   2HG1  VAL  46          2HG1      VAL  46  -2.906 -10.605 -11.772
  323   3HG1  VAL  46          3HG1      VAL  46  -3.090 -10.514 -10.021
  324   1HG2  VAL  46          1HG2      VAL  46  -3.327 -13.052 -11.666
  325   2HG2  VAL  46          2HG2      VAL  46  -4.832 -13.662 -10.981
  326   3HG2  VAL  46          3HG2      VAL  46  -3.588 -12.996  -9.922
  327    H    GLU  47           H        GLU  47  -7.032 -10.220 -11.831
  328    HA   GLU  47           HA       GLU  47  -6.529  -7.504 -11.273
  329   1HB   GLU  47          2HB       GLU  47  -8.007  -7.002 -13.070
  330   2HB   GLU  47          1HB       GLU  47  -7.146  -8.467 -13.494
  331   1HG   GLU  47          2HG       GLU  47  -9.976  -8.301 -12.498
  332   2HG   GLU  47          1HG       GLU  47  -9.465  -8.605 -14.156
  333    H    SER  48           H        SER  48  -9.034  -9.661 -10.175
  334    HA   SER  48           HA       SER  48 -10.943  -7.652  -9.491
  335   1HB   SER  48          2HB       SER  48 -10.692 -10.541  -8.629
  336   2HB   SER  48          1HB       SER  48 -12.088  -9.512  -8.327
  337    HG   SER  48           HG       SER  48 -11.061 -10.318 -10.866
  338    H    GLY  49           H        GLY  49  -8.281  -9.231  -7.873
  339   1HA   GLY  49          2HA       GLY  49  -9.132  -8.420  -5.220
  340   2HA   GLY  49          1HA       GLY  49  -7.626  -9.232  -5.633
  341    H    LEU  50           H        LEU  50  -7.113  -7.274  -7.771
  342    HA   LEU  50           HA       LEU  50  -5.642  -5.393  -6.206
  343   1HB   LEU  50          2HB       LEU  50  -6.100  -5.549  -9.185
  344   2HB   LEU  50          1HB       LEU  50  -4.924  -4.516  -8.394
  345    HG   LEU  50           HG       LEU  50  -4.913  -7.534  -8.384
  346   1HD1  LEU  50          1HD1      LEU  50  -3.091  -5.560  -9.748
  347   2HD1  LEU  50          2HD1      LEU  50  -4.296  -6.573 -10.543
  348   3HD1  LEU  50          3HD1      LEU  50  -2.907  -7.313  -9.746
  349   1HD2  LEU  50          1HD2      LEU  50  -2.726  -7.290  -7.288
  350   2HD2  LEU  50          2HD2      LEU  50  -4.043  -6.656  -6.302
  351   3HD2  LEU  50          3HD2      LEU  50  -2.989  -5.549  -7.183
  352    H    GLN  51           H        GLN  51  -8.559  -5.313  -8.179
  353    HA   GLN  51           HA       GLN  51  -9.026  -2.559  -8.148
  354   1HB   GLN  51          2HB       GLN  51 -10.300  -4.191  -9.521
  355   2HB   GLN  51          1HB       GLN  51 -11.097  -4.765  -8.063
  356   1HG   GLN  51          2HG       GLN  51 -12.486  -3.212  -9.357
  357   2HG   GLN  51          1HG       GLN  51 -12.145  -2.622  -7.730
  358   1HE2  GLN  51          1HE2      GLN  51 -11.551  -2.183 -11.126
  359   2HE2  GLN  51          2HE2      GLN  51 -10.831  -0.617 -11.001
  360    H    GLN  52           H        GLN  52  -9.802  -5.066  -5.761
  361    HA   GLN  52           HA       GLN  52 -11.263  -3.414  -4.001
  362   1HB   GLN  52          2HB       GLN  52  -9.672  -5.935  -3.564
  363   2HB   GLN  52          1HB       GLN  52 -10.567  -5.144  -2.273
  364   1HG   GLN  52          2HG       GLN  52 -11.769  -6.170  -4.835
  365   2HG   GLN  52          1HG       GLN  52 -11.793  -7.010  -3.286
  366   1HE2  GLN  52          1HE2      GLN  52 -14.025  -6.111  -4.907
  367   2HE2  GLN  52          2HE2      GLN  52 -14.937  -5.026  -3.907
  368    H    LEU  53           H        LEU  53  -7.809  -4.107  -4.259
  369    HA   LEU  53           HA       LEU  53  -6.966  -2.774  -1.947
  370   1HB   LEU  53          2HB       LEU  53  -5.544  -3.141  -4.580
  371   2HB   LEU  53          1HB       LEU  53  -4.780  -2.571  -3.109
  372    HG   LEU  53           HG       LEU  53  -6.083  -5.278  -3.425
  373   1HD1  LEU  53          1HD1      LEU  53  -4.089  -5.111  -4.800
  374   2HD1  LEU  53          2HD1      LEU  53  -3.797  -6.147  -3.404
  375   3HD1  LEU  53          3HD1      LEU  53  -3.173  -4.498  -3.424
  376   1HD2  LEU  53          1HD2      LEU  53  -6.148  -4.495  -1.144
  377   2HD2  LEU  53          2HD2      LEU  53  -4.437  -4.071  -1.209
  378   3HD2  LEU  53          3HD2      LEU  53  -4.933  -5.761  -1.304
  379    H    LEU  54           H        LEU  54  -7.842  -1.569  -5.107
  380    HA   LEU  54           HA       LEU  54  -6.759   1.071  -4.636
  381   1HB   LEU  54          2HB       LEU  54  -8.435  -0.061  -6.869
  382   2HB   LEU  54          1HB       LEU  54  -7.800   1.571  -6.842
  383    HG   LEU  54           HG       LEU  54  -6.131  -0.948  -6.853
  384   1HD1  LEU  54          1HD1      LEU  54  -7.259  -0.630  -8.973
  385   2HD1  LEU  54          2HD1      LEU  54  -5.540  -0.270  -9.137
  386   3HD1  LEU  54          3HD1      LEU  54  -6.712   1.045  -9.040
  387   1HD2  LEU  54          1HD2      LEU  54  -4.247   0.548  -7.214
  388   2HD2  LEU  54          2HD2      LEU  54  -5.051   0.909  -5.687
  389   3HD2  LEU  54          3HD2      LEU  54  -5.316   1.945  -7.090
  390    H    ASP  55           H        ASP  55  -9.339  -0.387  -3.403
  391    HA   ASP  55           HA       ASP  55 -11.542   1.253  -4.014
  392   1HB   ASP  55          2HB       ASP  55 -11.743  -0.968  -2.988
  393   2HB   ASP  55          1HB       ASP  55 -11.003  -0.363  -1.511
  394    H    GLY  56           H        GLY  56 -11.730   3.347  -3.643
  395   1HA   GLY  56          2HA       GLY  56 -12.122   5.083  -2.011
  396   2HA   GLY  56          1HA       GLY  56 -10.836   4.395  -1.029
  397    H    SER  57           H        SER  57  -9.960   4.393  -4.268
  398    HA   SER  57           HA       SER  57  -8.791   7.064  -4.181
  399   1HB   SER  57          2HB       SER  57  -6.546   6.075  -4.829
  400   2HB   SER  57          1HB       SER  57  -7.040   5.807  -3.157
  401    HG   SER  57           HG       SER  57  -7.997   3.785  -4.539
  402    H    GLY  58           H        GLY  58  -7.189   7.008  -6.396
  403   1HA   GLY  58          2HA       GLY  58  -9.026   6.092  -8.512
  404   2HA   GLY  58          1HA       GLY  58  -8.469   7.757  -8.472
  405    H    LEU  59           H        LEU  59  -6.594   4.823  -7.802
  406    HA   LEU  59           HA       LEU  59  -4.913   5.436 -10.099
  407   1HB   LEU  59          2HB       LEU  59  -4.444   3.377  -7.955
  408   2HB   LEU  59          1HB       LEU  59  -3.295   3.911  -9.168
  409    HG   LEU  59           HG       LEU  59  -3.748   6.256  -8.040
  410   1HD1  LEU  59          1HD1      LEU  59  -4.279   4.323  -5.812
  411   2HD1  LEU  59          2HD1      LEU  59  -5.433   5.450  -6.530
  412   3HD1  LEU  59          3HD1      LEU  59  -4.035   6.063  -5.647
  413   1HD2  LEU  59          1HD2      LEU  59  -1.944   4.152  -6.859
  414   2HD2  LEU  59          2HD2      LEU  59  -1.772   5.895  -6.646
  415   3HD2  LEU  59          3HD2      LEU  59  -1.571   5.176  -8.245
  416    H    GLN  60           H        GLN  60  -3.986   3.188 -11.090
  417    HA   GLN  60           HA       GLN  60  -6.058   1.205 -11.326
  418   1HB   GLN  60          2HB       GLN  60  -6.745   2.835 -13.028
  419   2HB   GLN  60          1HB       GLN  60  -5.130   2.814 -13.718
  420   1HG   GLN  60          2HG       GLN  60  -6.710   1.509 -15.042
  421   2HG   GLN  60          1HG       GLN  60  -5.411   0.508 -14.396
  422   1HE2  GLN  60          1HE2      GLN  60  -5.886  -1.100 -12.948
  423   2HE2  GLN  60          2HE2      GLN  60  -7.503  -1.567 -12.547
  424    H    VAL  61           H        VAL  61  -4.960  -0.619 -11.108
  425    HA   VAL  61           HA       VAL  61  -2.142  -0.715 -11.777
  426    HB   VAL  61           HB       VAL  61  -2.823  -1.733  -9.683
  427   1HG1  VAL  61          1HG1      VAL  61  -5.112  -2.309 -10.240
  428   2HG1  VAL  61          2HG1      VAL  61  -4.253  -3.714  -9.608
  429   3HG1  VAL  61          3HG1      VAL  61  -4.544  -3.566 -11.340
  430   1HG2  VAL  61          1HG2      VAL  61  -0.918  -2.731 -10.795
  431   2HG2  VAL  61          2HG2      VAL  61  -1.981  -3.795 -11.716
  432   3HG2  VAL  61          3HG2      VAL  61  -1.849  -3.979  -9.966
  433    H    LYS  62           H        LYS  62  -1.282  -1.745 -13.508
  434    HA   LYS  62           HA       LYS  62  -3.162  -3.161 -15.271
  435   1HB   LYS  62          2HB       LYS  62  -0.927  -1.306 -16.130
  436   2HB   LYS  62          1HB       LYS  62  -2.015  -2.182 -17.201
  437   1HG   LYS  62          2HG       LYS  62  -3.913  -0.927 -16.326
  438   2HG   LYS  62          1HG       LYS  62  -2.836  -0.063 -15.229
  439   1HD   LYS  62          2HD       LYS  62  -3.277   1.347 -17.110
  440   2HD   LYS  62          1HD       LYS  62  -1.605   0.794 -17.219
  441   1HE   LYS  62          2HE       LYS  62  -2.238  -0.875 -18.863
  442   2HE   LYS  62          1HE       LYS  62  -3.934  -0.424 -18.699
  443   1HZ   LYS  62          1HZ       LYS  62  -1.752   1.309 -19.737
  444   2HZ   LYS  62          2HZ       LYS  62  -3.358   1.801 -19.515
  445   3HZ   LYS  62          3HZ       LYS  62  -2.993   0.597 -20.651
  446    HA   PRO  63           HA       PRO  63   0.017  -6.220 -14.500
  447   1HB   PRO  63          2HB       PRO  63  -1.804  -8.114 -15.729
  448   2HB   PRO  63          1HB       PRO  63  -1.314  -7.987 -14.040
  449   1HG   PRO  63          2HG       PRO  63  -3.831  -7.431 -14.909
  450   2HG   PRO  63          1HG       PRO  63  -3.100  -6.664 -13.489
  451   1HD   PRO  63          2HD       PRO  63  -3.391  -5.601 -16.276
  452   2HD   PRO  63          1HD       PRO  63  -3.634  -4.770 -14.724
  453    H    LEU  64           H        LEU  64   1.561  -7.146 -15.712
  454    HA   LEU  64           HA       LEU  64   1.424  -6.847 -18.614
  455   1HB   LEU  64          2HB       LEU  64   3.670  -7.638 -16.754
  456   2HB   LEU  64          1HB       LEU  64   3.822  -7.659 -18.497
  457    HG   LEU  64           HG       LEU  64   4.839  -5.655 -17.737
  458   1HD1  LEU  64          1HD1      LEU  64   3.541  -3.924 -18.819
  459   2HD1  LEU  64          2HD1      LEU  64   2.100  -4.937 -18.758
  460   3HD1  LEU  64          3HD1      LEU  64   3.478  -5.421 -19.748
  461   1HD2  LEU  64          1HD2      LEU  64   3.884  -5.512 -15.518
  462   2HD2  LEU  64          2HD2      LEU  64   2.314  -5.083 -16.197
  463   3HD2  LEU  64          3HD2      LEU  64   3.681  -3.981 -16.370
  464    H    GLY  65           H        GLY  65  -0.083  -8.776 -16.989
  465   1HA   GLY  65          2HA       GLY  65  -1.088 -10.764 -17.668
  466   2HA   GLY  65          1HA       GLY  65   0.212 -10.986 -18.825
  467    H    ASN  66           H        ASN  66   2.413 -11.423 -17.705
  468    HA   ASN  66           HA       ASN  66   1.914 -13.818 -16.153
  469   1HB   ASN  66          2HB       ASN  66   3.461 -13.860 -18.089
  470   2HB   ASN  66          1HB       ASN  66   4.532 -12.757 -17.230
  471   1HD2  ASN  66          1HD2      ASN  66   6.227 -14.225 -17.238
  472   2HD2  ASN  66          2HD2      ASN  66   6.231 -15.625 -16.208
  473    H    ASN  67           H        ASN  67   1.180 -12.457 -14.323
  474    HA   ASN  67           HA       ASN  67   1.463 -12.220 -12.083
  475   1HB   ASN  67          2HB       ASN  67   4.215 -13.188 -12.787
  476   2HB   ASN  67          1HB       ASN  67   3.817 -12.696 -11.146
  477   1HD2  ASN  67          1HD2      ASN  67   4.265 -14.851 -10.508
  478   2HD2  ASN  67          2HD2      ASN  67   3.076 -16.094 -10.729
  479    H    SER  68           H        SER  68   3.578 -10.518 -14.208
  480    HA   SER  68           HA       SER  68   4.409  -8.618 -12.181
  481   1HB   SER  68          2HB       SER  68   4.831  -8.468 -15.179
  482   2HB   SER  68          1HB       SER  68   5.725  -7.594 -13.935
  483    HG   SER  68           HG       SER  68   6.116 -10.104 -14.894
  484    H    TRP  69           H        TRP  69   3.913  -6.366 -12.195
  485    HA   TRP  69           HA       TRP  69   1.543  -5.585 -13.711
  486   1HB   TRP  69          2HB       TRP  69   1.598  -5.091 -10.736
  487   2HB   TRP  69          1HB       TRP  69   0.266  -4.850 -11.847
  488    HD1  TRP  69           HD       TRP  69   0.331  -7.921 -13.056
  489    HE1  TRP  69           1HE      TRP  69  -0.596  -9.786 -11.530
  490    HE3  TRP  69           3HE      TRP  69   0.682  -5.536  -8.576
  491    HZ2  TRP  69           2HZ      TRP  69  -1.137 -10.168  -8.779
  492    HZ3  TRP  69           3HZ      TRP  69  -0.057  -6.692  -6.547
  493    HH2  TRP  69           HH       TRP  69  -0.953  -8.964  -6.639
  494    H    THR  70           H        THR  70   1.140  -3.202 -13.417
  495    HA   THR  70           HA       THR  70   3.269  -1.756 -12.046
  496    HB   THR  70           HB       THR  70   3.940  -1.857 -14.443
  497    HG1  THR  70           1HG      THR  70   4.397  -0.010 -13.037
  498   1HG2  THR  70          1HG2      THR  70   2.690  -0.635 -16.130
  499   2HG2  THR  70          2HG2      THR  70   1.457  -0.215 -14.943
  500   3HG2  THR  70          3HG2      THR  70   1.677  -1.896 -15.429
  501    H    LEU  71           H        LEU  71   2.523   0.064 -11.002
  502    HA   LEU  71           HA       LEU  71  -0.383   0.370 -11.040
  503   1HB   LEU  71          2HB       LEU  71   0.737  -0.027  -8.882
  504   2HB   LEU  71          1HB       LEU  71   1.671   1.440  -9.102
  505    HG   LEU  71           HG       LEU  71  -0.410   2.764  -9.027
  506   1HD1  LEU  71          1HD1      LEU  71  -2.489   1.718  -8.317
  507   2HD1  LEU  71          2HD1      LEU  71  -1.722   0.130  -8.370
  508   3HD1  LEU  71          3HD1      LEU  71  -1.945   1.053  -9.858
  509   1HD2  LEU  71          1HD2      LEU  71  -0.853   2.440  -6.627
  510   2HD2  LEU  71          2HD2      LEU  71   0.871   2.446  -6.996
  511   3HD2  LEU  71          3HD2      LEU  71   0.041   0.922  -6.683
  512    H    GLU  72           H        GLU  72  -0.857   1.656 -12.696
  513    HA   GLU  72           HA       GLU  72   0.413   4.266 -12.928
  514   1HB   GLU  72          2HB       GLU  72  -0.140   2.905 -14.945
  515   2HB   GLU  72          1HB       GLU  72  -1.845   3.104 -14.562
  516   1HG   GLU  72          2HG       GLU  72  -1.677   5.494 -14.863
  517   2HG   GLU  72          1HG       GLU  72   0.059   5.363 -15.138
  518    HA   PRO  73           HA       PRO  73  -2.883   6.154 -10.535
  519   1HB   PRO  73          2HB       PRO  73  -1.704   8.714 -11.266
  520   2HB   PRO  73          1HB       PRO  73  -1.782   7.942  -9.680
  521   1HG   PRO  73          2HG       PRO  73   0.539   8.268 -11.068
  522   2HG   PRO  73          1HG       PRO  73   0.268   6.939  -9.926
  523   1HD   PRO  73          2HD       PRO  73   0.122   6.929 -12.917
  524   2HD   PRO  73          1HD       PRO  73   0.788   5.702 -11.817
  525    H    ALA  74           H        ALA  74  -4.816   6.255 -11.481
  526    HA   ALA  74           HA       ALA  74  -5.694   8.196 -13.254
  527   1HB   ALA  74          1HB       ALA  74  -5.047   5.604 -14.663
  528   2HB   ALA  74          2HB       ALA  74  -4.222   7.143 -14.909
  529   3HB   ALA  74          3HB       ALA  74  -5.919   6.972 -15.358
  530    HA   PRO  75           HA       PRO  75  -9.252   5.916 -11.753
  531   1HB   PRO  75          2HB       PRO  75 -10.939   8.127 -12.251
  532   2HB   PRO  75          1HB       PRO  75 -10.185   7.698 -10.716
  533   1HG   PRO  75          2HG       PRO  75  -9.617   9.962 -12.283
  534   2HG   PRO  75          1HG       PRO  75  -8.675   9.371 -10.907
  535   1HD   PRO  75          2HD       PRO  75  -8.179   9.058 -13.818
  536   2HD   PRO  75          1HD       PRO  75  -7.023   9.137 -12.473
  537    H    ALA  76           H        ALA  76  -8.335   5.598 -14.443
  538    HA   ALA  76           HA       ALA  76  -8.960   5.081 -16.565
  539   1HB   ALA  76          1HB       ALA  76 -11.122   4.010 -16.860
  540   2HB   ALA  76          2HB       ALA  76 -11.676   4.656 -15.317
  541   3HB   ALA  76          3HB       ALA  76 -10.377   3.464 -15.358
  542    HA   PRO  77           HA       PRO  77 -11.051   9.284 -16.694
  543   1HB   PRO  77          2HB       PRO  77  -9.002  10.858 -17.414
  544   2HB   PRO  77          1HB       PRO  77  -9.247  10.351 -15.743
  545   1HG   PRO  77          2HG       PRO  77  -7.329   9.319 -17.780
  546   2HG   PRO  77          1HG       PRO  77  -7.094   9.574 -16.043
  547   1HD   PRO  77          2HD       PRO  77  -7.636   7.137 -17.227
  548   2HD   PRO  77          1HD       PRO  77  -7.922   7.524 -15.520
  549    H    LYS  78           H        LYS  78  -9.357   7.443 -18.966
  550    HA   LYS  78           HA       LYS  78 -10.665   8.912 -21.157
  551   1HB   LYS  78          2HB       LYS  78  -8.162   7.220 -21.257
  552   2HB   LYS  78          1HB       LYS  78  -8.962   7.906 -22.663
  553   1HG   LYS  78          2HG       LYS  78  -8.555  10.166 -21.738
  554   2HG   LYS  78          1HG       LYS  78  -7.650   9.420 -20.416
  555   1HD   LYS  78          2HD       LYS  78  -6.107   8.429 -22.044
  556   2HD   LYS  78          1HD       LYS  78  -7.006   9.196 -23.354
  557   1HE   LYS  78          2HE       LYS  78  -6.458  11.398 -22.444
  558   2HE   LYS  78          1HE       LYS  78  -5.574  10.634 -21.123
  559   1HZ   LYS  78          1HZ       LYS  78  -4.024  11.314 -22.791
  560   2HZ   LYS  78          2HZ       LYS  78  -4.903  10.528 -24.012
  561   3HZ   LYS  78          3HZ       LYS  78  -4.112   9.619 -22.821
  562    H    GLU  79           H        GLU  79 -10.773   6.213 -19.282
  563    HA   GLU  79           HA       GLU  79 -11.727   4.438 -21.405
  564   1HB   GLU  79          2HB       GLU  79 -11.375   3.767 -18.480
  565   2HB   GLU  79          1HB       GLU  79 -11.540   2.646 -19.825
  566   1HG   GLU  79          2HG       GLU  79  -9.193   4.440 -19.246
  567   2HG   GLU  79          1HG       GLU  79  -9.263   2.689 -19.056
  568    H    ASP  80           H        ASP  80 -12.684   6.051 -18.445
  569    HA   ASP  80           HA       ASP  80 -14.665   6.605 -17.535
  570   1HB   ASP  80          2HB       ASP  80 -15.739   5.900 -20.269
  571   2HB   ASP  80          1HB       ASP  80 -16.708   6.615 -18.985
  Start of MODEL   11
    1   1H    ALA   1          1HT       ALA   1  -7.918 -16.515  -5.439
    2   2H    ALA   1          2HT       ALA   1  -8.972 -17.663  -4.757
    3   3H    ALA   1          3HT       ALA   1  -7.826 -18.143  -5.912
    4    HA   ALA   1           HA       ALA   1  -7.150 -18.769  -3.676
    5   1HB   ALA   1          1HB       ALA   1  -5.437 -16.615  -4.917
    6   2HB   ALA   1          2HB       ALA   1  -5.458 -18.314  -5.390
    7   3HB   ALA   1          3HB       ALA   1  -4.892 -17.852  -3.784
    8    H    GLN   2           H        GLN   2  -6.886 -18.249  -1.548
    9    HA   GLN   2           HA       GLN   2  -8.398 -16.148  -0.513
   10   1HB   GLN   2          2HB       GLN   2  -8.030 -18.061   0.839
   11   2HB   GLN   2          1HB       GLN   2  -6.283 -17.878   0.757
   12   1HG   GLN   2          2HG       GLN   2  -6.523 -15.746   2.024
   13   2HG   GLN   2          1HG       GLN   2  -8.240 -16.107   2.203
   14   1HE2  GLN   2          1HE2      GLN   2  -8.894 -17.733   3.569
   15   2HE2  GLN   2          2HE2      GLN   2  -7.829 -18.449   4.734
   16    H    VAL   3           H        VAL   3  -8.044 -14.112  -0.458
   17    HA   VAL   3           HA       VAL   3  -5.295 -13.071  -0.357
   18    HB   VAL   3           HB       VAL   3  -7.861 -11.613  -1.054
   19   1HG1  VAL   3          1HG1      VAL   3  -4.985 -10.706  -1.127
   20   2HG1  VAL   3          2HG1      VAL   3  -6.253 -10.112  -0.054
   21   3HG1  VAL   3          3HG1      VAL   3  -6.347  -9.802  -1.787
   22   1HG2  VAL   3          1HG2      VAL   3  -6.986 -11.567  -3.340
   23   2HG2  VAL   3          2HG2      VAL   3  -7.242 -13.220  -2.775
   24   3HG2  VAL   3          3HG2      VAL   3  -5.611 -12.548  -2.833
   25    H    ASN   4           H        ASN   4  -4.627 -12.051   1.480
   26    HA   ASN   4           HA       ASN   4  -6.643 -11.566   3.555
   27   1HB   ASN   4          2HB       ASN   4  -5.515 -13.692   4.053
   28   2HB   ASN   4          1HB       ASN   4  -3.946 -12.897   3.943
   29   1HD2  ASN   4          1HD2      ASN   4  -3.436 -13.490   6.054
   30   2HD2  ASN   4          2HD2      ASN   4  -4.152 -12.705   7.420
   31    H    ILE   5           H        ILE   5  -6.654  -9.436   3.515
   32    HA   ILE   5           HA       ILE   5  -4.091  -8.010   3.823
   33    HB   ILE   5           HB       ILE   5  -6.516  -6.932   2.358
   34   1HG1  ILE   5          2HG1      ILE   5  -5.483  -8.820   1.121
   35   2HG1  ILE   5          1HG1      ILE   5  -5.315  -7.283   0.278
   36   1HG2  ILE   5          1HG2      ILE   5  -5.033  -5.252   3.397
   37   2HG2  ILE   5          2HG2      ILE   5  -5.050  -5.149   1.637
   38   3HG2  ILE   5          3HG2      ILE   5  -3.681  -5.897   2.462
   39   1HD1  ILE   5          1HD1      ILE   5  -3.183  -8.674   1.881
   40   2HD1  ILE   5          2HD1      ILE   5  -3.006  -7.118   1.073
   41   3HD1  ILE   5          3HD1      ILE   5  -3.281  -8.577   0.124
   42    H    ALA   6           H        ALA   6  -4.275  -6.030   5.077
   43    HA   ALA   6           HA       ALA   6  -6.685  -5.511   6.575
   44   1HB   ALA   6          1HB       ALA   6  -4.254  -6.647   7.967
   45   2HB   ALA   6          2HB       ALA   6  -5.803  -7.461   7.766
   46   3HB   ALA   6          3HB       ALA   6  -5.692  -6.015   8.767
   47    HA   PRO   7           HA       PRO   7  -5.561  -1.335   7.083
   48   1HB   PRO   7          2HB       PRO   7  -4.563  -1.497   9.814
   49   2HB   PRO   7          1HB       PRO   7  -6.012  -0.699   9.205
   50   1HG   PRO   7          2HG       PRO   7  -5.726  -3.337  10.438
   51   2HG   PRO   7          1HG       PRO   7  -7.190  -2.376  10.173
   52   1HD   PRO   7          2HD       PRO   7  -6.686  -4.656   8.812
   53   2HD   PRO   7          1HD       PRO   7  -7.559  -3.291   8.084
   54    H    GLY   8           H        GLY   8  -3.821  -0.247   6.386
   55   1HA   GLY   8          2HA       GLY   8  -1.304  -0.060   7.137
   56   2HA   GLY   8          1HA       GLY   8  -1.292  -1.667   6.415
   57    H    SER   9           H        SER   9   0.313   0.209   5.337
   58    HA   SER   9           HA       SER   9  -0.777   1.782   3.296
   59   1HB   SER   9          2HB       SER   9   1.941   0.472   3.494
   60   2HB   SER   9          1HB       SER   9   1.521   1.780   2.390
   61    HG   SER   9           HG       SER   9   0.819   2.851   4.496
   62    H    LEU  10           H        LEU  10  -1.191   1.434   1.122
   63    HA   LEU  10           HA       LEU  10  -2.051  -1.088   0.284
   64   1HB   LEU  10          2HB       LEU  10  -2.899   0.976  -0.675
   65   2HB   LEU  10          1HB       LEU  10  -1.315   1.369  -1.311
   66    HG   LEU  10           HG       LEU  10  -1.479  -0.721  -2.722
   67   1HD1  LEU  10          1HD1      LEU  10  -4.355  -0.581  -1.836
   68   2HD1  LEU  10          2HD1      LEU  10  -3.210  -1.871  -1.471
   69   3HD1  LEU  10          3HD1      LEU  10  -3.730  -1.598  -3.135
   70   1HD2  LEU  10          1HD2      LEU  10  -1.828   1.532  -3.606
   71   2HD2  LEU  10          2HD2      LEU  10  -3.540   1.427  -3.181
   72   3HD2  LEU  10          3HD2      LEU  10  -2.865   0.348  -4.404
   73    H    ASP  11           H        ASP  11   0.960   0.656  -0.156
   74    HA   ASP  11           HA       ASP  11   2.248  -1.019  -1.948
   75   1HB   ASP  11          2HB       ASP  11   4.364  -0.208  -0.766
   76   2HB   ASP  11          1HB       ASP  11   3.315   1.014  -1.466
   77    H    LYS  12           H        LYS  12   1.684  -1.453   1.511
   78    HA   LYS  12           HA       LYS  12   3.387  -3.721   1.799
   79   1HB   LYS  12          2HB       LYS  12   2.658  -2.470   3.764
   80   2HB   LYS  12          1HB       LYS  12   0.973  -2.807   3.386
   81   1HG   LYS  12          2HG       LYS  12   1.647  -5.284   3.591
   82   2HG   LYS  12          1HG       LYS  12   3.079  -4.668   4.416
   83   1HD   LYS  12          2HD       LYS  12   1.376  -5.248   6.040
   84   2HD   LYS  12          1HD       LYS  12   1.614  -3.500   6.026
   85   1HE   LYS  12          2HE       LYS  12  -0.382  -3.178   4.741
   86   2HE   LYS  12          1HE       LYS  12  -0.569  -4.914   4.503
   87   1HZ   LYS  12          1HZ       LYS  12  -1.010  -5.197   6.825
   88   2HZ   LYS  12          2HZ       LYS  12  -2.045  -3.989   6.236
   89   3HZ   LYS  12          3HZ       LYS  12  -0.680  -3.565   7.150
   90    H    ALA  13           H        ALA  13   0.044  -3.162   0.888
   91    HA   ALA  13           HA       ALA  13  -0.876  -5.825   1.223
   92   1HB   ALA  13          1HB       ALA  13  -2.020  -3.599  -0.462
   93   2HB   ALA  13          2HB       ALA  13  -2.392  -3.907   1.234
   94   3HB   ALA  13          3HB       ALA  13  -2.855  -5.080   0.004
   95    H    LEU  14           H        LEU  14  -0.183  -3.931  -1.722
   96    HA   LEU  14           HA       LEU  14  -0.367  -6.002  -3.554
   97   1HB   LEU  14          2HB       LEU  14   1.456  -3.599  -3.647
   98   2HB   LEU  14          1HB       LEU  14   1.009  -4.592  -5.019
   99    HG   LEU  14           HG       LEU  14  -0.892  -2.897  -3.395
  100   1HD1  LEU  14          1HD1      LEU  14   0.207  -2.508  -6.175
  101   2HD1  LEU  14          2HD1      LEU  14   0.623  -1.554  -4.751
  102   3HD1  LEU  14          3HD1      LEU  14  -1.017  -1.506  -5.396
  103   1HD2  LEU  14          1HD2      LEU  14  -1.345  -4.523  -5.893
  104   2HD2  LEU  14          2HD2      LEU  14  -2.516  -3.437  -5.142
  105   3HD2  LEU  14          3HD2      LEU  14  -1.977  -4.882  -4.287
  106    H    ASN  15           H        ASN  15   2.407  -4.924  -1.643
  107    HA   ASN  15           HA       ASN  15   4.335  -6.597  -2.836
  108   1HB   ASN  15          2HB       ASN  15   4.901  -4.678  -1.387
  109   2HB   ASN  15          1HB       ASN  15   4.255  -5.544   0.001
  110   1HD2  ASN  15          1HD2      ASN  15   6.241  -5.425   1.046
  111   2HD2  ASN  15          2HD2      ASN  15   7.584  -6.419   0.588
  112    H    GLN  16           H        GLN  16   2.149  -7.068  -0.079
  113    HA   GLN  16           HA       GLN  16   3.038  -9.615   0.668
  114   1HB   GLN  16          2HB       GLN  16   1.493  -8.089   1.961
  115   2HB   GLN  16          1HB       GLN  16   0.207  -8.565   0.866
  116   1HG   GLN  16          2HG       GLN  16   1.746 -10.599   2.436
  117   2HG   GLN  16          1HG       GLN  16   0.389  -9.728   3.142
  118   1HE2  GLN  16          1HE2      GLN  16  -1.080  -9.624   0.617
  119   2HE2  GLN  16          2HE2      GLN  16  -1.691 -11.217   0.358
  120    H    TYR  17           H        TYR  17   0.613  -8.584  -1.762
  121    HA   TYR  17           HA       TYR  17  -0.285 -11.208  -2.360
  122   1HB   TYR  17          2HB       TYR  17  -1.401  -8.946  -2.916
  123   2HB   TYR  17          1HB       TYR  17  -0.295  -8.875  -4.281
  124    HD1  TYR  17           1HD      TYR  17  -0.324 -11.062  -5.810
  125    HD2  TYR  17           2HD      TYR  17  -3.512  -9.857  -3.253
  126    HE1  TYR  17           1HE      TYR  17  -1.904 -12.392  -7.148
  127    HE2  TYR  17           2HE      TYR  17  -5.084 -11.181  -4.580
  128    HH   TYR  17           HH       TYR  17  -5.247 -12.064  -6.899
  129    H    ALA  18           H        ALA  18   2.189  -9.063  -3.699
  130    HA   ALA  18           HA       ALA  18   3.152 -10.604  -5.781
  131   1HB   ALA  18          1HB       ALA  18   3.888  -8.317  -5.339
  132   2HB   ALA  18          2HB       ALA  18   5.262  -9.411  -5.512
  133   3HB   ALA  18          3HB       ALA  18   4.761  -8.871  -3.908
  134    H    ALA  19           H        ALA  19   3.874 -10.837  -2.335
  135    HA   ALA  19           HA       ALA  19   5.933 -12.745  -2.524
  136   1HB   ALA  19          1HB       ALA  19   5.470 -11.411  -0.503
  137   2HB   ALA  19          2HB       ALA  19   5.569 -13.140  -0.170
  138   3HB   ALA  19          3HB       ALA  19   3.996 -12.346  -0.249
  139    H    HIS  20           H        HIS  20   2.465 -13.025  -2.623
  140    HA   HIS  20           HA       HIS  20   2.171 -15.720  -1.942
  141   1HB   HIS  20          2HB       HIS  20   0.241 -14.313  -1.981
  142   2HB   HIS  20          1HB       HIS  20   0.498 -13.888  -3.667
  143    HD1  HIS  20           1HD      HIS  20  -0.876 -16.631  -1.485
  144    HD2  HIS  20           2HD      HIS  20  -0.522 -15.693  -5.522
  145    HE1  HIS  20           1HE      HIS  20  -2.361 -18.260  -2.693
  146    HE2  HIS  20           2HE      HIS  20  -1.944 -17.814  -5.140
  147    H    SER  21           H        SER  21   2.306 -14.319  -5.277
  148    HA   SER  21           HA       SER  21   2.655 -17.060  -6.240
  149   1HB   SER  21          2HB       SER  21   0.860 -15.589  -7.208
  150   2HB   SER  21          1HB       SER  21   2.138 -14.579  -7.885
  151    HG   SER  21           HG       SER  21   1.094 -16.554  -9.085
  152    H    GLY  22           H        GLY  22   4.519 -14.395  -5.499
  153   1HA   GLY  22          2HA       GLY  22   6.759 -13.965  -5.755
  154   2HA   GLY  22          1HA       GLY  22   6.909 -15.559  -6.471
  155    H    PHE  23           H        PHE  23   5.260 -12.551  -7.454
  156    HA   PHE  23           HA       PHE  23   6.597 -12.819 -10.064
  157   1HB   PHE  23          2HB       PHE  23   4.751 -11.283 -10.879
  158   2HB   PHE  23          1HB       PHE  23   4.235 -12.895 -10.408
  159    HD1  PHE  23           1HD      PHE  23   2.776 -13.243  -8.577
  160    HD2  PHE  23           2HD      PHE  23   4.239  -9.349  -9.458
  161    HE1  PHE  23           1HE      PHE  23   1.101 -12.278  -7.064
  162    HE2  PHE  23           2HE      PHE  23   2.569  -8.377  -7.940
  163    HZ   PHE  23           HZ       PHE  23   0.999  -9.845  -6.745
  164    H    THR  24           H        THR  24   7.009 -10.713 -11.178
  165    HA   THR  24           HA       THR  24   8.315  -8.891  -9.322
  166    HB   THR  24           HB       THR  24   8.380  -8.864 -12.346
  167    HG1  THR  24           1HG      THR  24   9.242 -10.809 -11.669
  168   1HG2  THR  24          1HG2      THR  24   9.088  -6.760 -11.337
  169   2HG2  THR  24          2HG2      THR  24  10.479  -7.612 -12.005
  170   3HG2  THR  24          3HG2      THR  24  10.191  -7.623 -10.265
  171    H    LEU  25           H        LEU  25   7.116  -7.336  -8.519
  172    HA   LEU  25           HA       LEU  25   4.947  -6.139 -10.066
  173   1HB   LEU  25          2HB       LEU  25   4.935  -6.852  -7.558
  174   2HB   LEU  25          1HB       LEU  25   5.766  -5.331  -7.301
  175    HG   LEU  25           HG       LEU  25   3.116  -5.462  -8.723
  176   1HD1  LEU  25          1HD1      LEU  25   2.883  -6.530  -6.544
  177   2HD1  LEU  25          2HD1      LEU  25   2.054  -4.972  -6.598
  178   3HD1  LEU  25          3HD1      LEU  25   3.607  -5.117  -5.773
  179   1HD2  LEU  25          1HD2      LEU  25   4.383  -3.389  -8.967
  180   2HD2  LEU  25          2HD2      LEU  25   4.529  -3.263  -7.214
  181   3HD2  LEU  25          3HD2      LEU  25   2.945  -3.137  -7.978
  182    H    SER  26           H        SER  26   5.161  -4.207 -11.073
  183    HA   SER  26           HA       SER  26   7.695  -2.778 -10.712
  184   1HB   SER  26          2HB       SER  26   7.077  -3.485 -13.020
  185   2HB   SER  26          1HB       SER  26   5.643  -2.465 -12.919
  186    HG   SER  26           HG       SER  26   7.046  -1.125 -13.828
  187    H    VAL  27           H        VAL  27   7.439  -1.428  -9.034
  188    HA   VAL  27           HA       VAL  27   5.249   0.520  -9.209
  189    HB   VAL  27           HB       VAL  27   4.689  -1.047  -7.439
  190   1HG1  VAL  27          1HG1      VAL  27   6.107  -1.281  -5.441
  191   2HG1  VAL  27          2HG1      VAL  27   7.367  -0.344  -6.246
  192   3HG1  VAL  27          3HG1      VAL  27   6.879  -1.909  -6.898
  193   1HG2  VAL  27          1HG2      VAL  27   4.465   0.519  -5.573
  194   2HG2  VAL  27          2HG2      VAL  27   4.080   1.281  -7.115
  195   3HG2  VAL  27          3HG2      VAL  27   5.631   1.596  -6.340
  196    H    ASP  28           H        ASP  28   5.865   2.565  -9.115
  197    HA   ASP  28           HA       ASP  28   8.631   3.252  -8.943
  198   1HB   ASP  28          2HB       ASP  28   7.240   4.481 -10.475
  199   2HB   ASP  28          1HB       ASP  28   6.134   4.933  -9.182
  200    H    ALA  29           H        ALA  29   9.745   3.728  -7.223
  201    HA   ALA  29           HA       ALA  29   8.706   3.702  -4.599
  202   1HB   ALA  29          1HB       ALA  29  11.399   4.681  -5.526
  203   2HB   ALA  29          2HB       ALA  29  10.981   3.000  -5.192
  204   3HB   ALA  29          3HB       ALA  29  10.963   4.189  -3.889
  205    H    SER  30           H        SER  30   7.173   5.632  -5.692
  206    HA   SER  30           HA       SER  30   7.695   7.899  -4.003
  207   1HB   SER  30          2HB       SER  30   7.723   8.276  -7.015
  208   2HB   SER  30          1HB       SER  30   7.586   9.585  -5.845
  209    HG   SER  30           HG       SER  30   9.690   9.569  -5.976
  210    H    LEU  31           H        LEU  31   5.760   6.239  -6.394
  211    HA   LEU  31           HA       LEU  31   3.411   7.814  -6.047
  212   1HB   LEU  31          2HB       LEU  31   3.649   4.946  -6.969
  213   2HB   LEU  31          1HB       LEU  31   2.265   5.997  -7.201
  214    HG   LEU  31           HG       LEU  31   4.989   6.388  -8.444
  215   1HD1  LEU  31          1HD1      LEU  31   3.743   4.479  -9.357
  216   2HD1  LEU  31          2HD1      LEU  31   3.913   5.792 -10.527
  217   3HD1  LEU  31          3HD1      LEU  31   2.378   5.547  -9.688
  218   1HD2  LEU  31          1HD2      LEU  31   3.838   8.501  -7.997
  219   2HD2  LEU  31          2HD2      LEU  31   2.415   7.901  -8.849
  220   3HD2  LEU  31          3HD2      LEU  31   3.923   8.161  -9.724
  221    H    THR  32           H        THR  32   4.616   4.822  -4.621
  222    HA   THR  32           HA       THR  32   2.243   4.607  -2.945
  223    HB   THR  32           HB       THR  32   3.400   2.405  -2.281
  224    HG1  THR  32           1HG      THR  32   5.245   1.996  -3.218
  225   1HG2  THR  32          1HG2      THR  32   1.463   2.475  -3.750
  226   2HG2  THR  32          2HG2      THR  32   2.626   1.287  -4.339
  227   3HG2  THR  32          3HG2      THR  32   2.494   2.859  -5.128
  228    H    ARG  33           H        ARG  33   3.656   6.772  -2.092
  229    HA   ARG  33           HA       ARG  33   5.178   5.815   0.195
  230   1HB   ARG  33          2HB       ARG  33   5.645   8.278   0.513
  231   2HB   ARG  33          1HB       ARG  33   6.358   7.526  -0.894
  232   1HG   ARG  33          2HG       ARG  33   4.611   8.499  -2.292
  233   2HG   ARG  33          1HG       ARG  33   3.874   9.232  -0.865
  234   1HD   ARG  33          2HD       ARG  33   5.275  10.819  -2.134
  235   2HD   ARG  33          1HD       ARG  33   5.844  10.574  -0.484
  236    HE   ARG  33           HE       ARG  33   7.317   8.788  -1.870
  237   1HH1  ARG  33          1HH1      ARG  33   6.695  12.215  -2.340
  238   2HH1  ARG  33          2HH1      ARG  33   8.226  12.499  -3.114
  239   1HH2  ARG  33          1HH2      ARG  33   9.337   9.189  -2.873
  240   2HH2  ARG  33          2HH2      ARG  33   9.725  10.804  -3.399
  241    H    GLY  34           H        GLY  34   3.895   5.228   1.799
  242   1HA   GLY  34          2HA       GLY  34   2.628   5.562   3.680
  243   2HA   GLY  34          1HA       GLY  34   2.572   7.266   3.271
  244    H    LYS  35           H        LYS  35   1.340   4.434   1.494
  245    HA   LYS  35           HA       LYS  35  -1.253   5.721   1.266
  246   1HB   LYS  35          2HB       LYS  35   0.171   3.596  -0.116
  247   2HB   LYS  35          1HB       LYS  35  -1.481   3.131   0.257
  248   1HG   LYS  35          2HG       LYS  35  -1.357   4.121  -1.940
  249   2HG   LYS  35          1HG       LYS  35  -2.299   5.145  -0.854
  250   1HD   LYS  35          2HD       LYS  35  -0.314   6.574  -0.522
  251   2HD   LYS  35          1HD       LYS  35   0.578   5.571  -1.667
  252   1HE   LYS  35          2HE       LYS  35  -1.038   6.150  -3.423
  253   2HE   LYS  35          1HE       LYS  35  -1.912   7.160  -2.273
  254   1HZ   LYS  35          1HZ       LYS  35  -0.467   8.502  -3.639
  255   2HZ   LYS  35          2HZ       LYS  35   0.880   7.574  -3.195
  256   3HZ   LYS  35          3HZ       LYS  35   0.086   8.524  -2.033
  257    H    GLN  36           H        GLN  36  -3.223   4.260   1.681
  258    HA   GLN  36           HA       GLN  36  -2.795   2.227   3.726
  259   1HB   GLN  36          2HB       GLN  36  -3.092   4.288   4.997
  260   2HB   GLN  36          1HB       GLN  36  -4.591   4.618   4.140
  261   1HG   GLN  36          2HG       GLN  36  -5.678   2.772   5.167
  262   2HG   GLN  36          1HG       GLN  36  -4.160   2.180   5.844
  263   1HE2  GLN  36          1HE2      GLN  36  -6.695   2.979   7.142
  264   2HE2  GLN  36          2HE2      GLN  36  -6.246   4.173   8.312
  265    H    SER  37           H        SER  37  -4.122   0.516   3.468
  266    HA   SER  37           HA       SER  37  -6.732   0.945   2.222
  267   1HB   SER  37          2HB       SER  37  -5.225  -0.125   0.552
  268   2HB   SER  37          1HB       SER  37  -4.859  -1.397   1.712
  269    HG   SER  37           HG       SER  37  -7.236  -0.910   0.288
  270    H    ASN  38           H        ASN  38  -8.333   0.061   3.439
  271    HA   ASN  38           HA       ASN  38  -7.673  -0.747   6.069
  272   1HB   ASN  38          2HB       ASN  38  -9.991   0.157   4.737
  273   2HB   ASN  38          1HB       ASN  38 -10.404  -1.373   5.513
  274   1HD2  ASN  38          1HD2      ASN  38  -7.930   0.809   6.662
  275   2HD2  ASN  38          2HD2      ASN  38  -8.742   1.259   8.128
  276    H    GLY  39           H        GLY  39  -7.874  -2.595   3.267
  277   1HA   GLY  39          2HA       GLY  39  -6.760  -4.776   3.655
  278   2HA   GLY  39          1HA       GLY  39  -7.878  -4.996   4.990
  279    H    LEU  40           H        LEU  40  -8.033  -7.078   3.615
  280    HA   LEU  40           HA       LEU  40 -10.486  -7.023   2.172
  281   1HB   LEU  40          2HB       LEU  40  -8.911  -6.348   0.384
  282   2HB   LEU  40          1HB       LEU  40  -7.951  -7.778   0.699
  283    HG   LEU  40           HG       LEU  40  -9.864  -9.190   0.017
  284   1HD1  LEU  40          1HD1      LEU  40 -11.754  -8.165  -1.130
  285   2HD1  LEU  40          2HD1      LEU  40 -11.127  -6.561  -0.742
  286   3HD1  LEU  40          3HD1      LEU  40 -11.661  -7.637   0.551
  287   1HD2  LEU  40          1HD2      LEU  40  -8.125  -8.620  -1.587
  288   2HD2  LEU  40          2HD2      LEU  40  -8.990  -7.145  -2.018
  289   3HD2  LEU  40          3HD2      LEU  40  -9.699  -8.718  -2.376
  290    H    HIS  41           H        HIS  41 -11.420  -9.099   2.248
  291    HA   HIS  41           HA       HIS  41  -9.701 -11.339   3.042
  292   1HB   HIS  41          2HB       HIS  41 -10.476 -10.361   5.145
  293   2HB   HIS  41          1HB       HIS  41 -12.139 -10.408   4.578
  294    HD1  HIS  41           1HD      HIS  41 -13.356 -12.679   4.634
  295    HD2  HIS  41           2HD      HIS  41  -9.461 -12.797   6.092
  296    HE1  HIS  41           1HE      HIS  41 -13.148 -14.874   5.836
  297    HE2  HIS  41           2HE      HIS  41 -10.871 -14.811   6.904
  298    H    GLY  42           H        GLY  42 -10.097 -12.360   1.094
  299   1HA   GLY  42          2HA       GLY  42 -12.462 -13.970   1.072
  300   2HA   GLY  42          1HA       GLY  42 -12.490 -12.768  -0.212
  301    H    ASP  43           H        ASP  43 -12.558 -15.268  -1.081
  302    HA   ASP  43           HA       ASP  43  -9.823 -15.957  -1.854
  303   1HB   ASP  43          2HB       ASP  43 -11.517 -17.756  -1.327
  304   2HB   ASP  43          1HB       ASP  43 -12.398 -17.262  -2.769
  305    H    TYR  44           H        TYR  44  -9.047 -14.544  -3.299
  306    HA   TYR  44           HA       TYR  44 -10.879 -13.573  -5.386
  307   1HB   TYR  44          2HB       TYR  44  -8.863 -12.174  -3.691
  308   2HB   TYR  44          1HB       TYR  44  -9.157 -11.561  -5.315
  309    HD1  TYR  44           1HD      TYR  44 -10.382 -11.764  -1.929
  310    HD2  TYR  44           2HD      TYR  44 -11.502 -10.872  -5.935
  311    HE1  TYR  44           1HE      TYR  44 -12.387 -10.603  -1.105
  312    HE2  TYR  44           2HE      TYR  44 -13.507  -9.706  -5.123
  313    HH   TYR  44           HH       TYR  44 -13.956  -8.834  -1.889
  314    H    ASP  45           H        ASP  45 -10.031 -13.060  -7.400
  315    HA   ASP  45           HA       ASP  45  -7.645 -14.548  -8.178
  316   1HB   ASP  45          2HB       ASP  45  -9.588 -14.855  -9.608
  317   2HB   ASP  45          1HB       ASP  45  -9.788 -13.117  -9.784
  318    H    VAL  46           H        VAL  46  -6.207 -13.306  -9.809
  319    HA   VAL  46           HA       VAL  46  -4.875 -11.265  -8.558
  320    HB   VAL  46           HB       VAL  46  -5.091 -11.695 -11.542
  321   1HG1  VAL  46          1HG1      VAL  46  -4.164  -9.507 -11.038
  322   2HG1  VAL  46          2HG1      VAL  46  -2.906 -10.580 -11.652
  323   3HG1  VAL  46          3HG1      VAL  46  -3.006 -10.236  -9.925
  324   1HG2  VAL  46          1HG2      VAL  46  -3.042 -13.007 -11.280
  325   2HG2  VAL  46          2HG2      VAL  46  -4.372 -13.696 -10.348
  326   3HG2  VAL  46          3HG2      VAL  46  -3.113 -12.769  -9.534
  327    H    GLU  47           H        GLU  47  -7.020 -10.734 -11.381
  328    HA   GLU  47           HA       GLU  47  -6.936  -7.950 -11.191
  329   1HB   GLU  47          2HB       GLU  47  -8.959  -9.752 -12.512
  330   2HB   GLU  47          1HB       GLU  47  -8.900  -8.006 -12.726
  331   1HG   GLU  47          2HG       GLU  47  -6.601  -8.230 -13.602
  332   2HG   GLU  47          1HG       GLU  47  -6.760  -9.982 -13.481
  333    H    SER  48           H        SER  48  -9.299 -10.236  -9.789
  334    HA   SER  48           HA       SER  48 -11.153  -8.135  -9.181
  335   1HB   SER  48          2HB       SER  48 -12.209 -10.069  -7.809
  336   2HB   SER  48          1HB       SER  48 -12.206 -10.179  -9.569
  337    HG   SER  48           HG       SER  48 -11.182 -11.975  -9.309
  338    H    GLY  49           H        GLY  49  -8.559  -9.792  -7.550
  339   1HA   GLY  49          2HA       GLY  49  -9.258  -8.940  -4.904
  340   2HA   GLY  49          1HA       GLY  49  -7.706  -9.599  -5.411
  341    H    LEU  50           H        LEU  50  -7.207  -7.734  -7.478
  342    HA   LEU  50           HA       LEU  50  -6.060  -5.616  -5.960
  343   1HB   LEU  50          2HB       LEU  50  -6.349  -5.939  -8.947
  344   2HB   LEU  50          1HB       LEU  50  -5.331  -4.756  -8.150
  345    HG   LEU  50           HG       LEU  50  -4.987  -7.753  -8.023
  346   1HD1  LEU  50          1HD1      LEU  50  -3.344  -5.631  -9.399
  347   2HD1  LEU  50          2HD1      LEU  50  -4.387  -6.817 -10.190
  348   3HD1  LEU  50          3HD1      LEU  50  -2.954  -7.349  -9.307
  349   1HD2  LEU  50          1HD2      LEU  50  -4.317  -6.667  -5.941
  350   2HD2  LEU  50          2HD2      LEU  50  -3.294  -5.552  -6.845
  351   3HD2  LEU  50          3HD2      LEU  50  -2.918  -7.275  -6.828
  352    H    GLN  51           H        GLN  51  -8.844  -5.938  -8.086
  353    HA   GLN  51           HA       GLN  51  -9.586  -3.301  -8.415
  354   1HB   GLN  51          2HB       GLN  51 -10.608  -5.332  -9.483
  355   2HB   GLN  51          1HB       GLN  51 -11.460  -5.637  -7.981
  356   1HG   GLN  51          2HG       GLN  51 -11.796  -3.007  -9.349
  357   2HG   GLN  51          1HG       GLN  51 -12.636  -4.427  -9.966
  358   1HE2  GLN  51          1HE2      GLN  51 -14.144  -5.476  -8.623
  359   2HE2  GLN  51          2HE2      GLN  51 -14.908  -4.643  -7.313
  360    H    GLN  52           H        GLN  52 -10.453  -5.497  -5.738
  361    HA   GLN  52           HA       GLN  52 -12.004  -3.622  -4.314
  362   1HB   GLN  52          2HB       GLN  52 -10.468  -6.004  -3.256
  363   2HB   GLN  52          1HB       GLN  52 -11.741  -5.144  -2.402
  364   1HG   GLN  52          2HG       GLN  52 -12.109  -6.617  -4.998
  365   2HG   GLN  52          1HG       GLN  52 -12.485  -7.269  -3.407
  366   1HE2  GLN  52          1HE2      GLN  52 -14.282  -6.527  -2.301
  367   2HE2  GLN  52          2HE2      GLN  52 -15.517  -5.588  -3.072
  368    H    LEU  53           H        LEU  53  -8.575  -4.493  -4.136
  369    HA   LEU  53           HA       LEU  53  -7.858  -2.906  -1.944
  370   1HB   LEU  53          2HB       LEU  53  -6.229  -3.736  -4.342
  371   2HB   LEU  53          1HB       LEU  53  -5.557  -3.000  -2.901
  372    HG   LEU  53           HG       LEU  53  -6.968  -5.669  -3.021
  373   1HD1  LEU  53          1HD1      LEU  53  -4.061  -4.964  -2.650
  374   2HD1  LEU  53          2HD1      LEU  53  -4.779  -5.753  -4.054
  375   3HD1  LEU  53          3HD1      LEU  53  -4.747  -6.580  -2.497
  376   1HD2  LEU  53          1HD2      LEU  53  -5.612  -4.273  -0.716
  377   2HD2  LEU  53          2HD2      LEU  53  -6.263  -5.913  -0.694
  378   3HD2  LEU  53          3HD2      LEU  53  -7.347  -4.536  -0.895
  379    H    LEU  54           H        LEU  54  -8.395  -2.056  -5.282
  380    HA   LEU  54           HA       LEU  54  -7.099   0.488  -5.200
  381   1HB   LEU  54          2HB       LEU  54  -8.806  -1.005  -7.088
  382   2HB   LEU  54          1HB       LEU  54  -8.871   0.741  -7.228
  383    HG   LEU  54           HG       LEU  54  -6.535   0.873  -7.723
  384   1HD1  LEU  54          1HD1      LEU  54  -5.074  -1.075  -7.786
  385   2HD1  LEU  54          2HD1      LEU  54  -6.389  -2.092  -7.201
  386   3HD1  LEU  54          3HD1      LEU  54  -5.726  -0.830  -6.165
  387   1HD2  LEU  54          1HD2      LEU  54  -7.774  -1.426  -9.228
  388   2HD2  LEU  54          2HD2      LEU  54  -6.409  -0.452  -9.773
  389   3HD2  LEU  54          3HD2      LEU  54  -7.998   0.288  -9.583
  390    H    ASP  55           H        ASP  55 -10.126  -0.663  -4.112
  391    HA   ASP  55           HA       ASP  55 -11.610   1.758  -4.384
  392   1HB   ASP  55          2HB       ASP  55 -12.741  -0.399  -4.272
  393   2HB   ASP  55          1HB       ASP  55 -12.095  -0.681  -2.659
  394    H    GLY  56           H        GLY  56 -10.230   3.338  -3.482
  395   1HA   GLY  56          2HA       GLY  56 -10.581   4.831  -1.572
  396   2HA   GLY  56          1HA       GLY  56 -10.434   3.423  -0.535
  397    H    SER  57           H        SER  57  -8.131   2.816  -2.703
  398    HA   SER  57           HA       SER  57  -6.100   3.695  -0.851
  399   1HB   SER  57          2HB       SER  57  -4.583   2.429  -2.469
  400   2HB   SER  57          1HB       SER  57  -5.815   1.489  -1.626
  401    HG   SER  57           HG       SER  57  -6.533   0.947  -3.504
  402    H    GLY  58           H        GLY  58  -7.301   4.719  -3.940
  403   1HA   GLY  58          2HA       GLY  58  -6.958   6.836  -4.852
  404   2HA   GLY  58          1HA       GLY  58  -5.580   7.047  -3.782
  405    H    LEU  59           H        LEU  59  -5.355   4.084  -5.230
  406    HA   LEU  59           HA       LEU  59  -3.711   5.135  -7.430
  407   1HB   LEU  59          2HB       LEU  59  -3.108   2.843  -5.567
  408   2HB   LEU  59          1HB       LEU  59  -2.190   3.220  -7.005
  409    HG   LEU  59           HG       LEU  59  -2.498   5.044  -4.626
  410   1HD1  LEU  59          1HD1      LEU  59  -1.149   3.087  -4.095
  411   2HD1  LEU  59          2HD1      LEU  59  -0.138   4.528  -4.206
  412   3HD1  LEU  59          3HD1      LEU  59  -0.161   3.366  -5.531
  413   1HD2  LEU  59          1HD2      LEU  59  -0.783   5.284  -7.099
  414   2HD2  LEU  59          2HD2      LEU  59  -0.747   6.372  -5.710
  415   3HD2  LEU  59          3HD2      LEU  59  -2.195   6.268  -6.713
  416    H    GLN  60           H        GLN  60  -3.044   3.048  -8.843
  417    HA   GLN  60           HA       GLN  60  -5.271   1.240  -9.167
  418   1HB   GLN  60          2HB       GLN  60  -5.974   3.131 -10.547
  419   2HB   GLN  60          1HB       GLN  60  -4.411   3.157 -11.350
  420   1HG   GLN  60          2HG       GLN  60  -4.862   0.942 -12.287
  421   2HG   GLN  60          1HG       GLN  60  -6.434   0.933 -11.491
  422   1HE2  GLN  60          1HE2      GLN  60  -5.068   3.811 -12.896
  423   2HE2  GLN  60          2HE2      GLN  60  -6.170   3.926 -14.220
  424    H    VAL  61           H        VAL  61  -4.328  -0.701  -9.392
  425    HA   VAL  61           HA       VAL  61  -1.609  -0.790 -10.473
  426    HB   VAL  61           HB       VAL  61  -1.838  -1.853  -8.309
  427   1HG1  VAL  61          1HG1      VAL  61  -3.234  -3.827  -7.966
  428   2HG1  VAL  61          2HG1      VAL  61  -3.888  -3.647  -9.595
  429   3HG1  VAL  61          3HG1      VAL  61  -4.200  -2.409  -8.377
  430   1HG2  VAL  61          1HG2      VAL  61  -0.227  -2.820  -9.825
  431   2HG2  VAL  61          2HG2      VAL  61  -1.465  -3.859 -10.528
  432   3HG2  VAL  61          3HG2      VAL  61  -0.966  -4.092  -8.852
  433    H    LYS  62           H        LYS  62  -1.168  -1.649 -12.398
  434    HA   LYS  62           HA       LYS  62  -3.443  -2.789 -13.882
  435   1HB   LYS  62          2HB       LYS  62  -0.978  -1.400 -14.947
  436   2HB   LYS  62          1HB       LYS  62  -2.305  -2.025 -15.917
  437   1HG   LYS  62          2HG       LYS  62  -3.820  -0.410 -14.907
  438   2HG   LYS  62          1HG       LYS  62  -2.500   0.207 -13.908
  439   1HD   LYS  62          2HD       LYS  62  -2.579   0.224 -16.924
  440   2HD   LYS  62          1HD       LYS  62  -2.877   1.614 -15.878
  441   1HE   LYS  62          2HE       LYS  62  -0.620   1.507 -15.026
  442   2HE   LYS  62          1HE       LYS  62  -0.307   0.038 -15.945
  443   1HZ   LYS  62          1HZ       LYS  62  -0.927   2.700 -17.119
  444   2HZ   LYS  62          2HZ       LYS  62  -0.573   1.282 -17.986
  445   3HZ   LYS  62          3HZ       LYS  62   0.617   2.002 -17.023
  446    HA   PRO  63           HA       PRO  63  -0.936  -6.524 -14.273
  447   1HB   PRO  63          2HB       PRO  63  -2.987  -7.244 -16.259
  448   2HB   PRO  63          1HB       PRO  63  -2.525  -8.090 -14.780
  449   1HG   PRO  63          2HG       PRO  63  -4.882  -6.806 -15.007
  450   2HG   PRO  63          1HG       PRO  63  -3.997  -6.886 -13.472
  451   1HD   PRO  63          2HD       PRO  63  -4.172  -4.638 -15.445
  452   2HD   PRO  63          1HD       PRO  63  -4.208  -4.582 -13.669
  453    H    LEU  64           H        LEU  64   0.823  -6.266 -15.482
  454    HA   LEU  64           HA       LEU  64   0.997  -4.419 -17.581
  455   1HB   LEU  64          2HB       LEU  64   2.848  -5.111 -16.081
  456   2HB   LEU  64          1HB       LEU  64   2.909  -6.655 -16.905
  457    HG   LEU  64           HG       LEU  64   3.543  -5.514 -18.990
  458   1HD1  LEU  64          1HD1      LEU  64   4.164  -3.151 -18.943
  459   2HD1  LEU  64          2HD1      LEU  64   3.578  -3.028 -17.283
  460   3HD1  LEU  64          3HD1      LEU  64   2.448  -3.373 -18.593
  461   1HD2  LEU  64          1HD2      LEU  64   5.262  -6.360 -17.483
  462   2HD2  LEU  64          2HD2      LEU  64   5.271  -4.825 -16.617
  463   3HD2  LEU  64          3HD2      LEU  64   5.802  -4.893 -18.295
  464    H    GLY  65           H        GLY  65   0.819  -7.947 -17.625
  465   1HA   GLY  65          2HA       GLY  65  -0.612  -8.246 -19.941
  466   2HA   GLY  65          1HA       GLY  65   1.068  -8.167 -20.468
  467    H    ASN  66           H        ASN  66   2.504  -9.467 -18.798
  468    HA   ASN  66           HA       ASN  66   1.520 -12.197 -18.731
  469   1HB   ASN  66          2HB       ASN  66   3.784 -12.758 -17.973
  470   2HB   ASN  66          1HB       ASN  66   3.857 -11.736 -19.405
  471   1HD2  ASN  66          1HD2      ASN  66   5.813 -12.216 -17.256
  472   2HD2  ASN  66          2HD2      ASN  66   6.192 -10.649 -16.614
  473    H    ASN  67           H        ASN  67   2.890 -13.012 -16.331
  474    HA   ASN  67           HA       ASN  67   0.988 -12.075 -14.365
  475   1HB   ASN  67          2HB       ASN  67   2.066 -13.707 -12.840
  476   2HB   ASN  67          1HB       ASN  67   1.517 -14.435 -14.343
  477   1HD2  ASN  67          1HD2      ASN  67   3.563 -15.239 -12.372
  478   2HD2  ASN  67          2HD2      ASN  67   5.008 -15.475 -13.294
  479    H    SER  68           H        SER  68   2.420  -9.926 -15.144
  480    HA   SER  68           HA       SER  68   3.740  -9.219 -12.635
  481   1HB   SER  68          2HB       SER  68   4.789  -8.483 -15.391
  482   2HB   SER  68          1HB       SER  68   5.469  -7.957 -13.847
  483    HG   SER  68           HG       SER  68   5.280 -10.601 -13.799
  484    H    TRP  69           H        TRP  69   3.985  -6.572 -12.804
  485    HA   TRP  69           HA       TRP  69   1.395  -5.610 -13.711
  486   1HB   TRP  69          2HB       TRP  69   2.193  -5.442 -10.800
  487   2HB   TRP  69          1HB       TRP  69   0.752  -4.756 -11.520
  488    HD1  TRP  69           HD       TRP  69   0.409  -7.849 -13.106
  489    HE1  TRP  69           1HE      TRP  69  -0.793  -9.620 -11.672
  490    HE3  TRP  69           3HE      TRP  69   0.913  -5.638  -8.578
  491    HZ2  TRP  69           2HZ      TRP  69  -1.482  -9.986  -8.945
  492    HZ3  TRP  69           3HZ      TRP  69  -0.034  -6.730  -6.593
  493    HH2  TRP  69           HH       TRP  69  -1.213  -8.865  -6.771
  494    H    THR  70           H        THR  70   1.176  -3.236 -13.149
  495    HA   THR  70           HA       THR  70   3.671  -1.891 -12.478
  496    HB   THR  70           HB       THR  70   3.789  -1.928 -14.894
  497    HG1  THR  70           1HG      THR  70   4.536   0.014 -14.534
  498   1HG2  THR  70          1HG2      THR  70   1.440  -2.295 -15.421
  499   2HG2  THR  70          2HG2      THR  70   2.062  -0.895 -16.298
  500   3HG2  THR  70          3HG2      THR  70   1.048  -0.667 -14.871
  501    H    LEU  71           H        LEU  71   3.359   0.219 -11.635
  502    HA   LEU  71           HA       LEU  71   0.715   0.482 -10.426
  503   1HB   LEU  71          2HB       LEU  71   3.024   0.506  -9.198
  504   2HB   LEU  71          1HB       LEU  71   3.083   2.178  -9.716
  505    HG   LEU  71           HG       LEU  71   2.279   1.895  -7.389
  506   1HD1  LEU  71          1HD1      LEU  71   1.615   3.881  -8.614
  507   2HD1  LEU  71          2HD1      LEU  71   0.312   3.345  -7.554
  508   3HD1  LEU  71          3HD1      LEU  71   0.228   3.024  -9.286
  509   1HD2  LEU  71          1HD2      LEU  71  -0.077   0.537  -8.684
  510   2HD2  LEU  71          2HD2      LEU  71   0.050   0.985  -6.983
  511   3HD2  LEU  71          3HD2      LEU  71   1.132  -0.234  -7.657
  512    H    GLU  72           H        GLU  72  -0.645   1.589 -11.592
  513    HA   GLU  72           HA       GLU  72   0.149   4.047 -12.965
  514   1HB   GLU  72          2HB       GLU  72  -1.435   2.319 -13.964
  515   2HB   GLU  72          1HB       GLU  72  -2.626   2.873 -12.796
  516   1HG   GLU  72          2HG       GLU  72  -3.111   4.016 -14.780
  517   2HG   GLU  72          1HG       GLU  72  -2.289   5.191 -13.753
  518    HA   PRO  73           HA       PRO  73  -1.493   6.359  -9.466
  519   1HB   PRO  73          2HB       PRO  73  -0.448   8.741 -10.113
  520   2HB   PRO  73          1HB       PRO  73   0.556   7.444  -9.454
  521   1HG   PRO  73          2HG       PRO  73   0.293   8.392 -12.269
  522   2HG   PRO  73          1HG       PRO  73   1.727   7.809 -11.406
  523   1HD   PRO  73          2HD       PRO  73   0.164   6.311 -13.165
  524   2HD   PRO  73          1HD       PRO  73   1.312   5.651 -11.985
  525    H    ALA  74           H        ALA  74  -3.617   6.682  -9.628
  526    HA   ALA  74           HA       ALA  74  -4.793   8.877 -10.881
  527   1HB   ALA  74          1HB       ALA  74  -5.203   6.291 -12.394
  528   2HB   ALA  74          2HB       ALA  74  -4.352   7.717 -12.988
  529   3HB   ALA  74          3HB       ALA  74  -6.084   7.792 -12.672
  530    HA   PRO  75           HA       PRO  75  -7.486   6.942  -7.836
  531   1HB   PRO  75          2HB       PRO  75  -8.428   9.504  -7.042
  532   2HB   PRO  75          1HB       PRO  75  -7.243   8.491  -6.215
  533   1HG   PRO  75          2HG       PRO  75  -6.710  10.932  -7.448
  534   2HG   PRO  75          1HG       PRO  75  -5.505   9.720  -6.993
  535   1HD   PRO  75          2HD       PRO  75  -6.710  10.285  -9.663
  536   2HD   PRO  75          1HD       PRO  75  -5.067   9.747  -9.251
  537    H    ALA  76           H        ALA  76  -9.069   9.941  -8.557
  538    HA   ALA  76           HA       ALA  76 -10.846   8.792 -10.540
  539   1HB   ALA  76          1HB       ALA  76 -12.886   9.399  -9.344
  540   2HB   ALA  76          2HB       ALA  76 -11.932   9.936  -7.960
  541   3HB   ALA  76          3HB       ALA  76 -11.953   8.228  -8.406
  542    HA   PRO  77           HA       PRO  77  -9.518  13.225 -10.586
  543   1HB   PRO  77          2HB       PRO  77  -7.561  13.178 -12.359
  544   2HB   PRO  77          1HB       PRO  77  -7.355  12.359 -10.800
  545   1HG   PRO  77          2HG       PRO  77  -7.956  11.183 -13.481
  546   2HG   PRO  77          1HG       PRO  77  -6.882  10.588 -12.197
  547   1HD   PRO  77          2HD       PRO  77  -9.543   9.783 -12.652
  548   2HD   PRO  77          1HD       PRO  77  -8.572   9.448 -11.205
  549    H    LYS  78           H        LYS  78 -11.478  11.610 -12.503
  550    HA   LYS  78           HA       LYS  78 -11.619  13.702 -14.565
  551   1HB   LYS  78          2HB       LYS  78 -11.199  11.330 -15.349
  552   2HB   LYS  78          1HB       LYS  78 -12.795  10.923 -14.740
  553   1HG   LYS  78          2HG       LYS  78 -13.840  12.406 -16.306
  554   2HG   LYS  78          1HG       LYS  78 -12.272  13.013 -16.840
  555   1HD   LYS  78          2HD       LYS  78 -11.695  10.805 -17.693
  556   2HD   LYS  78          1HD       LYS  78 -13.240  10.171 -17.123
  557   1HE   LYS  78          2HE       LYS  78 -12.955  12.393 -19.139
  558   2HE   LYS  78          1HE       LYS  78 -13.194  10.698 -19.556
  559   1HZ   LYS  78          1HZ       LYS  78 -15.316  10.706 -18.513
  560   2HZ   LYS  78          2HZ       LYS  78 -15.260  12.062 -19.530
  561   3HZ   LYS  78          3HZ       LYS  78 -15.075  12.252 -17.855
  562    H    GLU  79           H        GLU  79 -13.808  14.335 -15.221
  563    HA   GLU  79           HA       GLU  79 -15.845  15.199 -14.766
  564   1HB   GLU  79          2HB       GLU  79 -15.964  12.623 -13.274
  565   2HB   GLU  79          1HB       GLU  79 -17.218  13.817 -12.972
  566   1HG   GLU  79          2HG       GLU  79 -17.911  12.213 -14.657
  567   2HG   GLU  79          1HG       GLU  79 -17.796  13.836 -15.331
  568    H    ASP  80           H        ASP  80 -13.514  16.014 -13.257
  569    HA   ASP  80           HA       ASP  80 -14.834  17.003 -10.818
  570   1HB   ASP  80          2HB       ASP  80 -12.738  15.779 -10.392
  571   2HB   ASP  80          1HB       ASP  80 -11.876  16.874 -11.467
  Start of MODEL   12
    1   1H    ALA   1          1HT       ALA   1 -10.730 -19.190   1.314
    2   2H    ALA   1          2HT       ALA   1  -9.077 -19.581   1.309
    3   3H    ALA   1          3HT       ALA   1  -9.960 -19.595  -0.138
    4    HA   ALA   1           HA       ALA   1 -10.278 -17.245  -0.057
    5   1HB   ALA   1          1HB       ALA   1  -8.669 -17.356   2.493
    6   2HB   ALA   1          2HB       ALA   1 -10.404 -17.059   2.389
    7   3HB   ALA   1          3HB       ALA   1  -9.268 -15.898   1.700
    8    H    GLN   2           H        GLN   2  -8.635 -15.734  -0.837
    9    HA   GLN   2           HA       GLN   2  -6.124 -17.105  -1.408
   10   1HB   GLN   2          2HB       GLN   2  -7.803 -15.372  -3.140
   11   2HB   GLN   2          1HB       GLN   2  -6.061 -15.387  -3.389
   12   1HG   GLN   2          2HG       GLN   2  -7.914 -17.753  -3.506
   13   2HG   GLN   2          1HG       GLN   2  -7.113 -16.967  -4.868
   14   1HE2  GLN   2          1HE2      GLN   2  -4.622 -16.597  -3.367
   15   2HE2  GLN   2          2HE2      GLN   2  -3.877 -18.155  -3.275
   16    H    VAL   3           H        VAL   3  -7.421 -14.624   0.277
   17    HA   VAL   3           HA       VAL   3  -4.823 -13.375   0.646
   18    HB   VAL   3           HB       VAL   3  -5.781 -11.077   0.545
   19   1HG1  VAL   3          1HG1      VAL   3  -4.481 -11.912  -1.324
   20   2HG1  VAL   3          2HG1      VAL   3  -5.791 -10.878  -1.895
   21   3HG1  VAL   3          3HG1      VAL   3  -5.929 -12.631  -2.032
   22   1HG2  VAL   3          1HG2      VAL   3  -8.123 -11.547   0.823
   23   2HG2  VAL   3          2HG2      VAL   3  -8.154 -12.473  -0.677
   24   3HG2  VAL   3          3HG2      VAL   3  -7.874 -10.732  -0.722
   25    H    ASN   4           H        ASN   4  -4.494 -12.573   2.668
   26    HA   ASN   4           HA       ASN   4  -6.812 -12.318   4.427
   27   1HB   ASN   4          2HB       ASN   4  -5.402 -13.116   6.333
   28   2HB   ASN   4          1HB       ASN   4  -5.745 -14.366   5.148
   29   1HD2  ASN   4          1HD2      ASN   4  -3.339 -12.502   6.713
   30   2HD2  ASN   4          2HD2      ASN   4  -1.960 -13.267   6.003
   31    H    ILE   5           H        ILE   5  -6.967 -10.174   4.455
   32    HA   ILE   5           HA       ILE   5  -4.528  -8.597   4.916
   33    HB   ILE   5           HB       ILE   5  -6.668  -7.780   2.934
   34   1HG1  ILE   5          2HG1      ILE   5  -3.974  -9.041   2.350
   35   2HG1  ILE   5          1HG1      ILE   5  -5.529  -9.850   2.173
   36   1HG2  ILE   5          1HG2      ILE   5  -4.961  -6.193   2.160
   37   2HG2  ILE   5          2HG2      ILE   5  -3.864  -6.766   3.419
   38   3HG2  ILE   5          3HG2      ILE   5  -5.362  -5.942   3.859
   39   1HD1  ILE   5          1HD1      ILE   5  -6.165  -8.294   0.435
   40   2HD1  ILE   5          2HD1      ILE   5  -4.631  -9.069   0.039
   41   3HD1  ILE   5          3HD1      ILE   5  -4.652  -7.412   0.646
   42    H    ALA   6           H        ALA   6  -4.971  -6.445   5.729
   43    HA   ALA   6           HA       ALA   6  -7.536  -5.818   6.862
   44   1HB   ALA   6          1HB       ALA   6  -5.294  -6.668   8.717
   45   2HB   ALA   6          2HB       ALA   6  -6.724  -7.636   8.356
   46   3HB   ALA   6          3HB       ALA   6  -6.895  -6.097   9.194
   47    HA   PRO   7           HA       PRO   7  -6.151  -1.592   7.266
   48   1HB   PRO   7          2HB       PRO   7  -5.307  -2.063  10.112
   49   2HB   PRO   7          1HB       PRO   7  -6.140  -0.670   9.408
   50   1HG   PRO   7          2HG       PRO   7  -7.504  -2.525  10.735
   51   2HG   PRO   7          1HG       PRO   7  -8.171  -1.783   9.269
   52   1HD   PRO   7          2HD       PRO   7  -7.103  -4.510   9.679
   53   2HD   PRO   7          1HD       PRO   7  -8.284  -3.929   8.492
   54    H    GLY   8           H        GLY   8  -4.342  -0.748   6.458
   55   1HA   GLY   8          2HA       GLY   8  -1.773  -0.826   7.288
   56   2HA   GLY   8          1HA       GLY   8  -1.960  -2.352   6.428
   57    H    SER   9           H        SER   9  -0.192  -0.386   5.550
   58    HA   SER   9           HA       SER   9  -1.281   1.410   3.683
   59   1HB   SER   9          2HB       SER   9   1.050   1.438   2.734
   60   2HB   SER   9          1HB       SER   9   0.974   1.726   4.471
   61    HG   SER   9           HG       SER   9   2.557   0.239   4.221
   62    H    LEU  10           H        LEU  10  -1.787   1.244   1.513
   63    HA   LEU  10           HA       LEU  10  -2.517  -1.256   0.467
   64   1HB   LEU  10          2HB       LEU  10  -3.535   0.861  -0.232
   65   2HB   LEU  10          1HB       LEU  10  -2.010   1.378  -0.926
   66    HG   LEU  10           HG       LEU  10  -2.159  -0.478  -2.567
   67   1HD1  LEU  10          1HD1      LEU  10  -4.905  -0.887  -1.392
   68   2HD1  LEU  10          2HD1      LEU  10  -3.541  -1.994  -1.230
   69   3HD1  LEU  10          3HD1      LEU  10  -4.248  -1.694  -2.817
   70   1HD2  LEU  10          1HD2      LEU  10  -4.513   1.403  -2.469
   71   2HD2  LEU  10          2HD2      LEU  10  -3.983   0.510  -3.896
   72   3HD2  LEU  10          3HD2      LEU  10  -2.932   1.734  -3.178
   73    H    ASP  11           H        ASP  11   0.340   0.729   0.167
   74    HA   ASP  11           HA       ASP  11   1.837  -0.554  -1.723
   75   1HB   ASP  11          2HB       ASP  11   2.603   1.416  -0.481
   76   2HB   ASP  11          1HB       ASP  11   2.760   0.451   0.981
   77    H    LYS  12           H        LYS  12   1.647  -1.435   1.741
   78    HA   LYS  12           HA       LYS  12   3.212  -3.768   1.478
   79   1HB   LYS  12          2HB       LYS  12   2.882  -2.562   3.608
   80   2HB   LYS  12          1HB       LYS  12   1.187  -3.032   3.598
   81   1HG   LYS  12          2HG       LYS  12   1.863  -5.393   3.703
   82   2HG   LYS  12          1HG       LYS  12   3.551  -4.883   3.777
   83   1HD   LYS  12          2HD       LYS  12   3.022  -3.615   5.844
   84   2HD   LYS  12          1HD       LYS  12   1.386  -4.281   5.790
   85   1HE   LYS  12          2HE       LYS  12   2.823  -5.550   7.312
   86   2HE   LYS  12          1HE       LYS  12   2.284  -6.536   5.953
   87   1HZ   LYS  12          1HZ       LYS  12   4.419  -6.193   4.883
   88   2HZ   LYS  12          2HZ       LYS  12   4.642  -6.861   6.425
   89   3HZ   LYS  12          3HZ       LYS  12   4.936  -5.211   6.167
   90    H    ALA  13           H        ALA  13  -0.193  -3.085   1.074
   91    HA   ALA  13           HA       ALA  13  -1.168  -5.726   1.399
   92   1HB   ALA  13          1HB       ALA  13  -2.345  -3.423  -0.160
   93   2HB   ALA  13          2HB       ALA  13  -2.627  -3.769   1.546
   94   3HB   ALA  13          3HB       ALA  13  -3.198  -4.894   0.311
   95    H    LEU  14           H        LEU  14  -0.600  -3.781  -1.545
   96    HA   LEU  14           HA       LEU  14  -0.879  -5.805  -3.414
   97   1HB   LEU  14          2HB       LEU  14   1.006  -3.449  -3.534
   98   2HB   LEU  14          1HB       LEU  14   0.455  -4.392  -4.904
   99    HG   LEU  14           HG       LEU  14  -1.297  -2.671  -3.144
  100   1HD1  LEU  14          1HD1      LEU  14   0.191  -1.361  -4.560
  101   2HD1  LEU  14          2HD1      LEU  14  -1.480  -1.236  -5.109
  102   3HD1  LEU  14          3HD1      LEU  14  -0.342  -2.271  -5.976
  103   1HD2  LEU  14          1HD2      LEU  14  -3.040  -3.126  -4.787
  104   2HD2  LEU  14          2HD2      LEU  14  -2.487  -4.617  -4.025
  105   3HD2  LEU  14          3HD2      LEU  14  -1.954  -4.210  -5.655
  106    H    ASN  15           H        ASN  15   1.978  -4.817  -1.581
  107    HA   ASN  15           HA       ASN  15   3.831  -6.486  -2.888
  108   1HB   ASN  15          2HB       ASN  15   4.582  -4.643  -1.506
  109   2HB   ASN  15          1HB       ASN  15   3.840  -5.360  -0.079
  110   1HD2  ASN  15          1HD2      ASN  15   4.939  -6.860   1.061
  111   2HD2  ASN  15          2HD2      ASN  15   6.534  -7.412   0.664
  112    H    GLN  16           H        GLN  16   1.643  -7.040  -0.165
  113    HA   GLN  16           HA       GLN  16   2.568  -9.558   0.588
  114   1HB   GLN  16          2HB       GLN  16   1.034  -8.374   1.992
  115   2HB   GLN  16          1HB       GLN  16  -0.167  -8.288   0.716
  116   1HG   GLN  16          2HG       GLN  16   0.690 -10.967   1.693
  117   2HG   GLN  16          1HG       GLN  16  -0.387 -10.000   2.697
  118   1HE2  GLN  16          1HE2      GLN  16  -1.640  -8.759   0.345
  119   2HE2  GLN  16          2HE2      GLN  16  -2.694  -9.959  -0.309
  120    H    TYR  17           H        TYR  17   0.175  -8.627  -1.908
  121    HA   TYR  17           HA       TYR  17  -0.564 -11.314  -2.463
  122   1HB   TYR  17          2HB       TYR  17  -1.921  -9.214  -2.972
  123   2HB   TYR  17          1HB       TYR  17  -0.854  -8.979  -4.353
  124    HD1  TYR  17           1HD      TYR  17  -1.208 -10.172  -6.369
  125    HD2  TYR  17           2HD      TYR  17  -3.303 -11.322  -2.852
  126    HE1  TYR  17           1HE      TYR  17  -2.614 -11.683  -7.707
  127    HE2  TYR  17           2HE      TYR  17  -4.716 -12.830  -4.179
  128    HH   TYR  17           HH       TYR  17  -5.445 -13.169  -6.454
  129    H    ALA  18           H        ALA  18   1.843  -9.091  -3.752
  130    HA   ALA  18           HA       ALA  18   2.751 -10.401  -5.961
  131   1HB   ALA  18          1HB       ALA  18   4.499  -9.126  -3.865
  132   2HB   ALA  18          2HB       ALA  18   3.649  -8.272  -5.154
  133   3HB   ALA  18          3HB       ALA  18   4.930  -9.421  -5.551
  134    H    ALA  19           H        ALA  19   3.307 -11.316  -2.624
  135    HA   ALA  19           HA       ALA  19   5.311 -13.247  -3.033
  136   1HB   ALA  19          1HB       ALA  19   4.698 -14.111  -0.839
  137   2HB   ALA  19          2HB       ALA  19   3.200 -13.180  -0.884
  138   3HB   ALA  19          3HB       ALA  19   4.754 -12.346  -0.831
  139    H    HIS  20           H        HIS  20   1.997 -13.314  -3.866
  140    HA   HIS  20           HA       HIS  20   1.380 -16.019  -3.637
  141   1HB   HIS  20          2HB       HIS  20  -0.296 -14.312  -4.163
  142   2HB   HIS  20          1HB       HIS  20   0.442 -14.054  -5.739
  143    HD1  HIS  20           1HD      HIS  20  -0.758 -15.212  -7.572
  144    HD2  HIS  20           2HD      HIS  20  -1.156 -17.205  -3.941
  145    HE1  HIS  20           1HE      HIS  20  -2.259 -17.179  -8.035
  146    HE2  HIS  20           2HE      HIS  20  -2.586 -18.306  -5.801
  147    H    SER  21           H        SER  21   2.306 -14.409  -6.714
  148    HA   SER  21           HA       SER  21   3.105 -17.053  -7.682
  149   1HB   SER  21          2HB       SER  21   1.388 -15.788  -8.969
  150   2HB   SER  21          1HB       SER  21   2.577 -14.526  -9.270
  151    HG   SER  21           HG       SER  21   3.196 -17.181  -9.961
  152    H    GLY  22           H        GLY  22   4.507 -14.309  -6.414
  153   1HA   GLY  22          2HA       GLY  22   6.721 -13.722  -6.176
  154   2HA   GLY  22          1HA       GLY  22   7.140 -15.199  -7.030
  155    H    PHE  23           H        PHE  23   5.334 -12.302  -7.997
  156    HA   PHE  23           HA       PHE  23   6.913 -12.259 -10.467
  157   1HB   PHE  23          2HB       PHE  23   5.005 -10.680 -11.194
  158   2HB   PHE  23          1HB       PHE  23   4.632 -12.392 -11.034
  159    HD1  PHE  23           1HD      PHE  23   3.127 -13.184  -9.389
  160    HD2  PHE  23           2HD      PHE  23   4.232  -9.076  -9.497
  161    HE1  PHE  23           1HE      PHE  23   1.309 -12.662  -7.821
  162    HE2  PHE  23           2HE      PHE  23   2.413  -8.547  -7.934
  163    HZ   PHE  23           HZ       PHE  23   0.949 -10.342  -7.095
  164    H    THR  24           H        THR  24   7.173  -9.974 -11.389
  165    HA   THR  24           HA       THR  24   8.448  -8.397  -9.310
  166    HB   THR  24           HB       THR  24   8.510  -7.955 -12.300
  167    HG1  THR  24           1HG      THR  24   9.498  -9.989 -10.964
  168   1HG2  THR  24          1HG2      THR  24  10.302  -6.987 -10.067
  169   2HG2  THR  24          2HG2      THR  24   9.189  -6.002 -11.018
  170   3HG2  THR  24          3HG2      THR  24  10.597  -6.736 -11.788
  171    H    LEU  25           H        LEU  25   7.261  -6.932  -8.309
  172    HA   LEU  25           HA       LEU  25   5.050  -5.643  -9.712
  173   1HB   LEU  25          2HB       LEU  25   4.972  -6.658  -7.333
  174   2HB   LEU  25          1HB       LEU  25   5.815  -5.206  -6.841
  175    HG   LEU  25           HG       LEU  25   3.203  -5.058  -8.320
  176   1HD1  LEU  25          1HD1      LEU  25   3.600  -5.260  -5.341
  177   2HD1  LEU  25          2HD1      LEU  25   2.872  -6.488  -6.377
  178   3HD1  LEU  25          3HD1      LEU  25   2.077  -4.927  -6.167
  179   1HD2  LEU  25          1HD2      LEU  25   4.580  -3.192  -6.392
  180   2HD2  LEU  25          2HD2      LEU  25   3.045  -2.895  -7.206
  181   3HD2  LEU  25          3HD2      LEU  25   4.534  -3.009  -8.145
  182    H    SER  26           H        SER  26   5.214  -3.654 -10.516
  183    HA   SER  26           HA       SER  26   7.657  -2.134  -9.963
  184   1HB   SER  26          2HB       SER  26   5.628  -1.683 -12.164
  185   2HB   SER  26          1HB       SER  26   7.228  -0.954 -12.029
  186    HG   SER  26           HG       SER  26   6.540  -3.634 -12.607
  187    H    VAL  27           H        VAL  27   7.178  -1.098  -8.070
  188    HA   VAL  27           HA       VAL  27   4.813   0.653  -8.084
  189    HB   VAL  27           HB       VAL  27   4.674  -1.071  -6.333
  190   1HG1  VAL  27          1HG1      VAL  27   6.251  -1.054  -4.443
  191   2HG1  VAL  27          2HG1      VAL  27   7.244   0.120  -5.307
  192   3HG1  VAL  27          3HG1      VAL  27   7.023  -1.501  -5.964
  193   1HG2  VAL  27          1HG2      VAL  27   5.178   1.683  -5.215
  194   2HG2  VAL  27          2HG2      VAL  27   4.271   0.397  -4.422
  195   3HG2  VAL  27          3HG2      VAL  27   3.665   1.110  -5.916
  196    H    ASP  28           H        ASP  28   5.096   2.800  -7.558
  197    HA   ASP  28           HA       ASP  28   7.874   3.720  -7.560
  198   1HB   ASP  28          2HB       ASP  28   6.333   4.649  -9.266
  199   2HB   ASP  28          1HB       ASP  28   5.324   5.296  -7.975
  200    H    ALA  29           H        ALA  29   8.793   4.463  -5.788
  201    HA   ALA  29           HA       ALA  29   7.534   4.483  -3.256
  202   1HB   ALA  29          1HB       ALA  29   9.910   4.029  -3.554
  203   2HB   ALA  29          2HB       ALA  29   9.653   5.366  -2.434
  204   3HB   ALA  29          3HB       ALA  29  10.167   5.689  -4.088
  205    H    SER  30           H        SER  30   5.799   6.008  -4.383
  206    HA   SER  30           HA       SER  30   5.830   8.435  -2.947
  207   1HB   SER  30          2HB       SER  30   7.400   9.079  -4.777
  208   2HB   SER  30          1HB       SER  30   6.129   8.736  -5.950
  209    HG   SER  30           HG       SER  30   4.918  10.326  -4.438
  210    H    LEU  31           H        LEU  31   4.509   6.362  -5.412
  211    HA   LEU  31           HA       LEU  31   2.005   7.740  -5.623
  212   1HB   LEU  31          2HB       LEU  31   2.823   4.978  -6.513
  213   2HB   LEU  31          1HB       LEU  31   1.291   5.740  -6.904
  214    HG   LEU  31           HG       LEU  31   4.025   6.684  -7.777
  215   1HD1  LEU  31          1HD1      LEU  31   1.736   5.481  -9.328
  216   2HD1  LEU  31          2HD1      LEU  31   3.268   4.692  -8.950
  217   3HD1  LEU  31          3HD1      LEU  31   3.240   6.097 -10.015
  218   1HD2  LEU  31          1HD2      LEU  31   2.556   8.581  -7.386
  219   2HD2  LEU  31          2HD2      LEU  31   1.289   7.824  -8.354
  220   3HD2  LEU  31          3HD2      LEU  31   2.795   8.337  -9.117
  221    H    THR  32           H        THR  32   3.230   5.033  -3.743
  222    HA   THR  32           HA       THR  32   0.575   4.511  -2.669
  223    HB   THR  32           HB       THR  32   1.899   2.753  -1.309
  224    HG1  THR  32           1HG      THR  32   3.898   2.195  -2.205
  225   1HG2  THR  32          1HG2      THR  32   1.869   1.193  -3.208
  226   2HG2  THR  32          2HG2      THR  32   1.691   2.553  -4.317
  227   3HG2  THR  32          3HG2      THR  32   0.413   2.188  -3.154
  228    H    ARG  33           H        ARG  33   2.465   6.904  -2.148
  229    HA   ARG  33           HA       ARG  33   3.032   6.824   0.650
  230   1HB   ARG  33          2HB       ARG  33   4.311   8.236  -0.898
  231   2HB   ARG  33          1HB       ARG  33   2.860   9.156  -1.269
  232   1HG   ARG  33          2HG       ARG  33   2.761   9.866   1.100
  233   2HG   ARG  33          1HG       ARG  33   4.292   9.033   1.372
  234   1HD   ARG  33          2HD       ARG  33   3.821  11.308  -0.554
  235   2HD   ARG  33          1HD       ARG  33   4.653  11.418   0.997
  236    HE   ARG  33           HE       ARG  33   6.159   9.605  -0.194
  237   1HH1  ARG  33          1HH1      ARG  33   4.799  12.556  -1.532
  238   2HH1  ARG  33          2HH1      ARG  33   6.108  12.782  -2.661
  239   1HH2  ARG  33          1HH2      ARG  33   7.855   9.906  -1.671
  240   2HH2  ARG  33          2HH2      ARG  33   7.847  11.279  -2.734
  241    H    GLY  34           H        GLY  34   1.499   6.834   2.154
  242   1HA   GLY  34          2HA       GLY  34  -0.231   7.763   3.401
  243   2HA   GLY  34          1HA       GLY  34  -0.569   8.866   2.073
  244    H    LYS  35           H        LYS  35  -0.265   5.513   1.358
  245    HA   LYS  35           HA       LYS  35  -3.165   5.422   0.913
  246   1HB   LYS  35          2HB       LYS  35  -0.921   4.662  -0.720
  247   2HB   LYS  35          1HB       LYS  35  -1.970   3.276  -0.447
  248   1HG   LYS  35          2HG       LYS  35  -2.568   4.516  -2.474
  249   2HG   LYS  35          1HG       LYS  35  -3.874   4.499  -1.283
  250   1HD   LYS  35          2HD       LYS  35  -3.211   6.737  -0.537
  251   2HD   LYS  35          1HD       LYS  35  -1.921   6.757  -1.737
  252   1HE   LYS  35          2HE       LYS  35  -3.537   6.666  -3.531
  253   2HE   LYS  35          1HE       LYS  35  -4.859   6.505  -2.374
  254   1HZ   LYS  35          1HZ       LYS  35  -4.607   8.780  -3.217
  255   2HZ   LYS  35          2HZ       LYS  35  -3.047   8.852  -2.550
  256   3HZ   LYS  35          3HZ       LYS  35  -4.398   8.692  -1.537
  257    H    GLN  36           H        GLN  36  -4.339   4.165   2.113
  258    HA   GLN  36           HA       GLN  36  -3.182   1.723   3.271
  259   1HB   GLN  36          2HB       GLN  36  -3.294   3.373   5.064
  260   2HB   GLN  36          1HB       GLN  36  -4.966   3.738   4.655
  261   1HG   GLN  36          2HG       GLN  36  -5.525   1.360   5.208
  262   2HG   GLN  36          1HG       GLN  36  -3.880   1.185   5.814
  263   1HE2  GLN  36          1HE2      GLN  36  -3.829   3.924   6.840
  264   2HE2  GLN  36          2HE2      GLN  36  -4.790   3.900   8.283
  265    H    SER  37           H        SER  37  -4.549  -0.071   3.200
  266    HA   SER  37           HA       SER  37  -7.261   0.422   2.225
  267   1HB   SER  37          2HB       SER  37  -5.612  -0.698   0.577
  268   2HB   SER  37          1HB       SER  37  -5.653  -2.081   1.673
  269    HG   SER  37           HG       SER  37  -7.435  -1.338  -0.206
  270    H    ASN  38           H        ASN  38  -8.716  -0.240   3.669
  271    HA   ASN  38           HA       ASN  38  -7.775  -1.112   6.191
  272   1HB   ASN  38          2HB       ASN  38 -10.495  -0.494   5.096
  273   2HB   ASN  38          1HB       ASN  38 -10.284  -1.100   6.738
  274   1HD2  ASN  38          1HD2      ASN  38  -9.179   1.446   4.527
  275   2HD2  ASN  38          2HD2      ASN  38  -8.952   2.648   5.751
  276    H    GLY  39           H        GLY  39  -8.510  -2.976   3.528
  277   1HA   GLY  39          2HA       GLY  39  -7.451  -5.217   4.272
  278   2HA   GLY  39          1HA       GLY  39  -8.863  -5.301   5.307
  279    H    LEU  40           H        LEU  40  -8.420  -7.366   3.701
  280    HA   LEU  40           HA       LEU  40 -10.702  -7.447   2.034
  281   1HB   LEU  40          2HB       LEU  40  -9.189  -6.441   0.405
  282   2HB   LEU  40          1HB       LEU  40  -7.962  -7.644   0.760
  283    HG   LEU  40           HG       LEU  40  -9.437  -9.401  -0.152
  284   1HD1  LEU  40          1HD1      LEU  40 -11.236  -7.092  -0.861
  285   2HD1  LEU  40          2HD1      LEU  40 -11.585  -8.381   0.291
  286   3HD1  LEU  40          3HD1      LEU  40 -11.427  -8.750  -1.425
  287   1HD2  LEU  40          1HD2      LEU  40  -8.923  -7.089  -2.020
  288   2HD2  LEU  40          2HD2      LEU  40  -9.240  -8.755  -2.510
  289   3HD2  LEU  40          3HD2      LEU  40  -7.780  -8.366  -1.597
  290    H    HIS  41           H        HIS  41 -11.441  -9.569   2.164
  291    HA   HIS  41           HA       HIS  41  -9.455 -11.658   2.621
  292   1HB   HIS  41          2HB       HIS  41 -10.148 -10.848   4.862
  293   2HB   HIS  41          1HB       HIS  41 -11.813 -11.258   4.472
  294    HD1  HIS  41           1HD      HIS  41  -8.649 -13.347   4.020
  295    HD2  HIS  41           2HD      HIS  41 -12.308 -13.427   5.993
  296    HE1  HIS  41           1HE      HIS  41  -8.757 -15.586   5.154
  297    HE2  HIS  41           2HE      HIS  41 -10.880 -15.517   6.512
  298    H    GLY  42           H        GLY  42  -9.887 -12.619   0.741
  299   1HA   GLY  42          2HA       GLY  42 -12.099 -14.413   0.690
  300   2HA   GLY  42          1HA       GLY  42 -12.284 -13.134  -0.505
  301    H    ASP  43           H        ASP  43 -12.145 -15.605  -1.499
  302    HA   ASP  43           HA       ASP  43  -9.417 -16.142  -2.389
  303   1HB   ASP  43          2HB       ASP  43 -11.190 -17.938  -2.128
  304   2HB   ASP  43          1HB       ASP  43 -12.040 -17.220  -3.492
  305    H    TYR  44           H        TYR  44  -8.725 -14.331  -3.502
  306    HA   TYR  44           HA       TYR  44 -10.440 -13.377  -5.685
  307   1HB   TYR  44          2HB       TYR  44  -8.636 -11.900  -3.804
  308   2HB   TYR  44          1HB       TYR  44  -9.004 -11.226  -5.389
  309    HD1  TYR  44           1HD      TYR  44 -10.318 -12.008  -2.076
  310    HD2  TYR  44           2HD      TYR  44 -11.282 -10.543  -5.947
  311    HE1  TYR  44           1HE      TYR  44 -12.439 -11.120  -1.206
  312    HE2  TYR  44           2HE      TYR  44 -13.403  -9.647  -5.090
  313    HH   TYR  44           HH       TYR  44 -14.070  -9.334  -1.803
  314    H    ASP  45           H        ASP  45  -9.747 -13.639  -7.645
  315    HA   ASP  45           HA       ASP  45  -7.170 -14.592  -8.325
  316   1HB   ASP  45          2HB       ASP  45  -9.385 -13.380  -9.987
  317   2HB   ASP  45          1HB       ASP  45  -7.893 -14.002 -10.682
  318    H    VAL  46           H        VAL  46  -5.875 -13.351 -10.067
  319    HA   VAL  46           HA       VAL  46  -4.502 -11.330  -8.819
  320    HB   VAL  46           HB       VAL  46  -4.747 -11.776 -11.798
  321   1HG1  VAL  46          1HG1      VAL  46  -2.642 -10.317 -10.205
  322   2HG1  VAL  46          2HG1      VAL  46  -3.782  -9.602 -11.342
  323   3HG1  VAL  46          3HG1      VAL  46  -2.531 -10.701 -11.923
  324   1HG2  VAL  46          1HG2      VAL  46  -4.046 -13.780 -10.616
  325   2HG2  VAL  46          2HG2      VAL  46  -2.780 -12.872  -9.788
  326   3HG2  VAL  46          3HG2      VAL  46  -2.700 -13.105 -11.535
  327    H    GLU  47           H        GLU  47  -6.588 -10.777 -11.659
  328    HA   GLU  47           HA       GLU  47  -6.575  -8.001 -11.534
  329   1HB   GLU  47          2HB       GLU  47  -8.608  -8.213 -13.004
  330   2HB   GLU  47          1HB       GLU  47  -7.194  -9.107 -13.532
  331   1HG   GLU  47          2HG       GLU  47  -8.204 -11.132 -12.406
  332   2HG   GLU  47          1HG       GLU  47  -9.683 -10.183 -12.256
  333    H    SER  48           H        SER  48  -8.811 -10.305 -10.051
  334    HA   SER  48           HA       SER  48 -10.795  -8.332  -9.462
  335   1HB   SER  48          2HB       SER  48 -11.326 -10.741  -9.833
  336   2HB   SER  48          1HB       SER  48 -10.502 -11.122  -8.322
  337    HG   SER  48           HG       SER  48 -12.631  -9.260  -8.452
  338    H    GLY  49           H        GLY  49  -8.050  -9.696  -7.810
  339   1HA   GLY  49          2HA       GLY  49  -8.874  -8.907  -5.171
  340   2HA   GLY  49          1HA       GLY  49  -7.282  -9.493  -5.641
  341    H    LEU  50           H        LEU  50  -6.762  -7.617  -7.670
  342    HA   LEU  50           HA       LEU  50  -5.688  -5.505  -6.117
  343   1HB   LEU  50          2HB       LEU  50  -5.982  -5.759  -9.111
  344   2HB   LEU  50          1HB       LEU  50  -4.968  -4.591  -8.284
  345    HG   LEU  50           HG       LEU  50  -4.604  -7.586  -8.246
  346   1HD1  LEU  50          1HD1      LEU  50  -4.017  -6.584 -10.380
  347   2HD1  LEU  50          2HD1      LEU  50  -2.572  -7.108  -9.514
  348   3HD1  LEU  50          3HD1      LEU  50  -3.002  -5.399  -9.558
  349   1HD2  LEU  50          1HD2      LEU  50  -2.520  -7.097  -7.047
  350   2HD2  LEU  50          2HD2      LEU  50  -3.940  -6.583  -6.133
  351   3HD2  LEU  50          3HD2      LEU  50  -2.963  -5.390  -6.989
  352    H    GLN  51           H        GLN  51  -8.425  -5.765  -8.331
  353    HA   GLN  51           HA       GLN  51  -9.169  -3.111  -8.513
  354   1HB   GLN  51          2HB       GLN  51 -10.212  -4.794  -9.886
  355   2HB   GLN  51          1HB       GLN  51 -10.872  -5.607  -8.476
  356   1HG   GLN  51          2HG       GLN  51 -11.651  -2.782  -8.948
  357   2HG   GLN  51          1HG       GLN  51 -12.331  -4.020 -10.001
  358   1HE2  GLN  51          1HE2      GLN  51 -12.356  -6.066  -7.956
  359   2HE2  GLN  51          2HE2      GLN  51 -13.641  -5.661  -6.872
  360    H    GLN  52           H        GLN  52 -10.163  -5.492  -6.061
  361    HA   GLN  52           HA       GLN  52 -11.865  -3.691  -4.679
  362   1HB   GLN  52          2HB       GLN  52 -12.122  -6.128  -4.558
  363   2HB   GLN  52          1HB       GLN  52 -10.578  -6.257  -3.731
  364   1HG   GLN  52          2HG       GLN  52 -12.464  -6.440  -2.194
  365   2HG   GLN  52          1HG       GLN  52 -11.454  -5.043  -1.833
  366   1HE2  GLN  52          1HE2      GLN  52 -12.277  -2.989  -2.109
  367   2HE2  GLN  52          2HE2      GLN  52 -13.966  -2.688  -2.362
  368    H    LEU  53           H        LEU  53  -8.500  -4.676  -4.235
  369    HA   LEU  53           HA       LEU  53  -8.020  -3.521  -1.752
  370   1HB   LEU  53          2HB       LEU  53  -6.224  -4.034  -4.099
  371   2HB   LEU  53          1HB       LEU  53  -5.620  -3.325  -2.615
  372    HG   LEU  53           HG       LEU  53  -6.944  -6.027  -2.844
  373   1HD1  LEU  53          1HD1      LEU  53  -4.058  -5.285  -2.379
  374   2HD1  LEU  53          2HD1      LEU  53  -4.721  -5.957  -3.868
  375   3HD1  LEU  53          3HD1      LEU  53  -4.726  -6.916  -2.387
  376   1HD2  LEU  53          1HD2      LEU  53  -7.356  -4.924  -0.697
  377   2HD2  LEU  53          2HD2      LEU  53  -5.622  -4.670  -0.496
  378   3HD2  LEU  53          3HD2      LEU  53  -6.277  -6.305  -0.522
  379    H    LEU  54           H        LEU  54  -7.908  -2.042  -4.959
  380    HA   LEU  54           HA       LEU  54  -6.822   0.413  -3.877
  381   1HB   LEU  54          2HB       LEU  54  -7.415  -0.608  -6.608
  382   2HB   LEU  54          1HB       LEU  54  -7.299   1.125  -6.371
  383    HG   LEU  54           HG       LEU  54  -5.013   0.793  -5.432
  384   1HD1  LEU  54          1HD1      LEU  54  -5.371  -2.039  -6.397
  385   2HD1  LEU  54          2HD1      LEU  54  -5.233  -1.524  -4.716
  386   3HD1  LEU  54          3HD1      LEU  54  -3.871  -1.318  -5.818
  387   1HD2  LEU  54          1HD2      LEU  54  -5.474  -0.234  -8.225
  388   2HD2  LEU  54          2HD2      LEU  54  -3.945   0.377  -7.590
  389   3HD2  LEU  54          3HD2      LEU  54  -5.332   1.456  -7.740
  390    H    ASP  55           H        ASP  55  -9.908  -0.833  -4.048
  391    HA   ASP  55           HA       ASP  55 -11.348   1.476  -4.847
  392   1HB   ASP  55          2HB       ASP  55 -12.357  -0.798  -4.748
  393   2HB   ASP  55          1HB       ASP  55 -12.296  -0.717  -2.989
  394    H    GLY  56           H        GLY  56 -11.116   3.344  -3.901
  395   1HA   GLY  56          2HA       GLY  56 -11.703   4.514  -1.706
  396   2HA   GLY  56          1HA       GLY  56 -10.503   3.425  -1.013
  397    H    SER  57           H        SER  57  -9.123   3.696  -3.747
  398    HA   SER  57           HA       SER  57  -7.900   6.342  -3.299
  399   1HB   SER  57          2HB       SER  57  -5.794   5.384  -4.189
  400   2HB   SER  57          1HB       SER  57  -6.328   4.540  -2.738
  401    HG   SER  57           HG       SER  57  -7.405   3.087  -4.422
  402    H    GLY  58           H        GLY  58  -6.655   6.951  -5.503
  403   1HA   GLY  58          2HA       GLY  58  -8.691   6.597  -7.610
  404   2HA   GLY  58          1HA       GLY  58  -7.765   8.072  -7.374
  405    H    LEU  59           H        LEU  59  -6.053   5.134  -6.973
  406    HA   LEU  59           HA       LEU  59  -4.535   5.728  -9.398
  407   1HB   LEU  59          2HB       LEU  59  -3.992   3.782  -7.149
  408   2HB   LEU  59          1HB       LEU  59  -2.922   4.073  -8.508
  409    HG   LEU  59           HG       LEU  59  -3.679   6.117  -6.416
  410   1HD1  LEU  59          1HD1      LEU  59  -1.361   5.885  -5.672
  411   2HD1  LEU  59          2HD1      LEU  59  -1.107   4.603  -6.855
  412   3HD1  LEU  59          3HD1      LEU  59  -2.239   4.360  -5.524
  413   1HD2  LEU  59          1HD2      LEU  59  -3.242   7.124  -8.598
  414   2HD2  LEU  59          2HD2      LEU  59  -1.704   6.265  -8.693
  415   3HD2  LEU  59          3HD2      LEU  59  -1.951   7.495  -7.455
  416    H    GLN  60           H        GLN  60  -3.614   3.536 -10.432
  417    HA   GLN  60           HA       GLN  60  -5.767   1.600 -10.730
  418   1HB   GLN  60          2HB       GLN  60  -4.521   3.097 -13.052
  419   2HB   GLN  60          1HB       GLN  60  -5.449   1.621 -13.228
  420   1HG   GLN  60          2HG       GLN  60  -6.948   3.304 -13.762
  421   2HG   GLN  60          1HG       GLN  60  -7.351   2.893 -12.097
  422   1HE2  GLN  60          1HE2      GLN  60  -8.323   4.897 -11.790
  423   2HE2  GLN  60          2HE2      GLN  60  -7.386   6.339 -11.587
  424    H    VAL  61           H        VAL  61  -4.824  -0.322 -10.400
  425    HA   VAL  61           HA       VAL  61  -1.996  -0.621 -11.076
  426    HB   VAL  61           HB       VAL  61  -2.564  -1.283  -8.808
  427   1HG1  VAL  61          1HG1      VAL  61  -4.037  -3.194  -8.364
  428   2HG1  VAL  61          2HG1      VAL  61  -4.470  -3.242 -10.072
  429   3HG1  VAL  61          3HG1      VAL  61  -4.898  -1.839  -9.092
  430   1HG2  VAL  61          1HG2      VAL  61  -0.783  -2.505  -9.924
  431   2HG2  VAL  61          2HG2      VAL  61  -1.954  -3.670 -10.544
  432   3HG2  VAL  61          3HG2      VAL  61  -1.657  -3.557  -8.808
  433    H    LYS  62           H        LYS  62  -1.355  -1.780 -12.779
  434    HA   LYS  62           HA       LYS  62  -3.226  -3.633 -14.022
  435   1HB   LYS  62          2HB       LYS  62  -2.592  -2.568 -16.285
  436   2HB   LYS  62          1HB       LYS  62  -3.796  -1.765 -15.295
  437   1HG   LYS  62          2HG       LYS  62  -2.525   0.016 -15.925
  438   2HG   LYS  62          1HG       LYS  62  -1.720  -0.420 -14.419
  439   1HD   LYS  62          2HD       LYS  62  -0.019  -0.038 -16.030
  440   2HD   LYS  62          1HD       LYS  62  -0.113  -1.784 -15.794
  441   1HE   LYS  62          2HE       LYS  62   0.099  -1.310 -18.146
  442   2HE   LYS  62          1HE       LYS  62  -1.517  -1.939 -17.827
  443   1HZ   LYS  62          1HZ       LYS  62  -2.415   0.259 -17.967
  444   2HZ   LYS  62          2HZ       LYS  62  -1.476  -0.011 -19.348
  445   3HZ   LYS  62          3HZ       LYS  62  -0.874   0.953 -18.087
  446    HA   PRO  63           HA       PRO  63   0.412  -6.112 -14.439
  447   1HB   PRO  63          2HB       PRO  63  -1.069  -7.378 -16.668
  448   2HB   PRO  63          1HB       PRO  63  -0.429  -8.104 -15.191
  449   1HG   PRO  63          2HG       PRO  63  -3.054  -7.740 -15.528
  450   2HG   PRO  63          1HG       PRO  63  -2.285  -7.521 -13.944
  451   1HD   PRO  63          2HD       PRO  63  -3.163  -5.454 -15.926
  452   2HD   PRO  63          1HD       PRO  63  -3.314  -5.451 -14.155
  453    H    LEU  64           H        LEU  64   2.209  -5.694 -15.519
  454    HA   LEU  64           HA       LEU  64   2.243  -3.857 -17.675
  455   1HB   LEU  64          2HB       LEU  64   4.033  -4.318 -15.861
  456   2HB   LEU  64          1HB       LEU  64   4.561  -5.614 -16.914
  457    HG   LEU  64           HG       LEU  64   5.855  -3.455 -17.101
  458   1HD1  LEU  64          1HD1      LEU  64   4.501  -4.430 -19.608
  459   2HD1  LEU  64          2HD1      LEU  64   5.944  -5.125 -18.870
  460   3HD1  LEU  64          3HD1      LEU  64   5.993  -3.492 -19.537
  461   1HD2  LEU  64          1HD2      LEU  64   4.859  -1.648 -18.407
  462   2HD2  LEU  64          2HD2      LEU  64   3.990  -1.911 -16.895
  463   3HD2  LEU  64          3HD2      LEU  64   3.316  -2.502 -18.414
  464    H    GLY  65           H        GLY  65   2.825  -7.377 -17.469
  465   1HA   GLY  65          2HA       GLY  65   1.521  -8.056 -19.773
  466   2HA   GLY  65          1HA       GLY  65   3.151  -7.655 -20.295
  467    H    ASN  66           H        ASN  66   4.838  -8.666 -18.625
  468    HA   ASN  66           HA       ASN  66   4.450 -11.518 -19.000
  469   1HB   ASN  66          2HB       ASN  66   6.549 -10.443 -19.693
  470   2HB   ASN  66          1HB       ASN  66   6.858  -9.960 -18.030
  471   1HD2  ASN  66          1HD2      ASN  66   8.792 -11.061 -17.968
  472   2HD2  ASN  66          2HD2      ASN  66   8.883 -12.789 -17.895
  473    H    ASN  67           H        ASN  67   2.699 -11.367 -17.291
  474    HA   ASN  67           HA       ASN  67   1.902 -12.072 -15.282
  475   1HB   ASN  67          2HB       ASN  67   3.488 -13.960 -15.800
  476   2HB   ASN  67          1HB       ASN  67   4.683 -13.156 -14.788
  477   1HD2  ASN  67          1HD2      ASN  67   4.819 -14.740 -13.272
  478   2HD2  ASN  67          2HD2      ASN  67   3.526 -15.140 -12.186
  479    H    SER  68           H        SER  68   3.589  -9.471 -15.487
  480    HA   SER  68           HA       SER  68   4.091  -9.124 -12.611
  481   1HB   SER  68          2HB       SER  68   5.707  -7.988 -14.919
  482   2HB   SER  68          1HB       SER  68   5.994  -7.663 -13.207
  483    HG   SER  68           HG       SER  68   6.130 -10.213 -14.473
  484    H    TRP  69           H        TRP  69   4.441  -6.381 -12.510
  485    HA   TRP  69           HA       TRP  69   1.914  -5.394 -13.581
  486   1HB   TRP  69          2HB       TRP  69   2.520  -5.412 -10.618
  487   2HB   TRP  69          1HB       TRP  69   1.146  -4.631 -11.378
  488    HD1  TRP  69           HD       TRP  69   0.801  -7.547 -13.225
  489    HE1  TRP  69           1HE      TRP  69  -0.550  -9.380 -12.019
  490    HE3  TRP  69           3HE      TRP  69   1.140  -5.773  -8.476
  491    HZ2  TRP  69           2HZ      TRP  69  -1.395  -9.964  -9.373
  492    HZ3  TRP  69           3HZ      TRP  69   0.032  -6.998  -6.655
  493    HH2  TRP  69           HH       TRP  69  -1.210  -9.054  -7.098
  494    H    THR  70           H        THR  70   1.656  -3.072 -13.142
  495    HA   THR  70           HA       THR  70   3.912  -1.710 -11.928
  496    HB   THR  70           HB       THR  70   4.445  -1.754 -14.368
  497    HG1  THR  70           1HG      THR  70   3.844   0.927 -13.918
  498   1HG2  THR  70          1HG2      THR  70   2.211  -1.736 -15.304
  499   2HG2  THR  70          2HG2      THR  70   3.109  -0.333 -15.886
  500   3HG2  THR  70          3HG2      THR  70   1.903  -0.145 -14.612
  501    H    LEU  71           H        LEU  71   3.321   0.328 -11.069
  502    HA   LEU  71           HA       LEU  71   0.437   0.566 -10.717
  503   1HB   LEU  71          2HB       LEU  71   1.980   0.588  -8.753
  504   2HB   LEU  71          1HB       LEU  71   2.651   2.096  -9.343
  505    HG   LEU  71           HG       LEU  71   0.482   3.197  -9.050
  506   1HD1  LEU  71          1HD1      LEU  71  -1.350   2.036  -7.917
  507   2HD1  LEU  71          2HD1      LEU  71  -0.425   0.534  -7.958
  508   3HD1  LEU  71          3HD1      LEU  71  -0.966   1.278  -9.463
  509   1HD2  LEU  71          1HD2      LEU  71   1.373   1.695  -6.588
  510   2HD2  LEU  71          2HD2      LEU  71   0.431   3.187  -6.616
  511   3HD2  LEU  71          3HD2      LEU  71   2.095   3.180  -7.205
  512    H    GLU  72           H        GLU  72  -0.421   1.552 -12.361
  513    HA   GLU  72           HA       GLU  72   0.792   3.877 -13.582
  514   1HB   GLU  72          2HB       GLU  72  -0.402   2.095 -14.875
  515   2HB   GLU  72          1HB       GLU  72  -1.906   2.668 -14.166
  516   1HG   GLU  72          2HG       GLU  72  -1.682   4.790 -15.240
  517   2HG   GLU  72          1HG       GLU  72  -0.063   4.379 -15.810
  518    HA   PRO  73           HA       PRO  73  -1.658   6.608 -11.047
  519   1HB   PRO  73          2HB       PRO  73  -0.112   8.781 -11.384
  520   2HB   PRO  73          1HB       PRO  73   0.372   7.443 -10.339
  521   1HG   PRO  73          2HG       PRO  73   1.387   8.215 -13.002
  522   2HG   PRO  73          1HG       PRO  73   2.200   7.336 -11.699
  523   1HD   PRO  73          2HD       PRO  73   0.971   6.253 -14.033
  524   2HD   PRO  73          1HD       PRO  73   1.697   5.363 -12.681
  525    H    ALA  74           H        ALA  74  -3.529   7.150 -11.962
  526    HA   ALA  74           HA       ALA  74  -3.657   9.462 -13.647
  527   1HB   ALA  74          1HB       ALA  74  -4.644   6.832 -14.762
  528   2HB   ALA  74          2HB       ALA  74  -3.285   7.776 -15.373
  529   3HB   ALA  74          3HB       ALA  74  -4.923   8.420 -15.476
  530    HA   PRO  75           HA       PRO  75  -7.108   8.542 -10.750
  531   1HB   PRO  75          2HB       PRO  75  -6.810  10.619  -9.065
  532   2HB   PRO  75          1HB       PRO  75  -5.778   9.188  -8.970
  533   1HG   PRO  75          2HG       PRO  75  -5.165  11.894 -10.019
  534   2HG   PRO  75          1HG       PRO  75  -4.093  10.714  -9.249
  535   1HD   PRO  75          2HD       PRO  75  -4.371  11.214 -12.016
  536   2HD   PRO  75          1HD       PRO  75  -3.473   9.885 -11.260
  537    H    ALA  76           H        ALA  76  -8.066  11.185  -9.626
  538    HA   ALA  76           HA       ALA  76  -9.290  12.309 -12.055
  539   1HB   ALA  76          1HB       ALA  76 -10.337  12.354  -9.221
  540   2HB   ALA  76          2HB       ALA  76 -10.924  11.315 -10.519
  541   3HB   ALA  76          3HB       ALA  76 -11.130  13.062 -10.629
  542    HA   PRO  77           HA       PRO  77  -6.452  15.342 -10.042
  543   1HB   PRO  77          2HB       PRO  77  -4.590  15.561 -11.908
  544   2HB   PRO  77          1HB       PRO  77  -4.714  14.071 -10.964
  545   1HG   PRO  77          2HG       PRO  77  -5.587  14.616 -13.761
  546   2HG   PRO  77          1HG       PRO  77  -4.887  13.143 -13.064
  547   1HD   PRO  77          2HD       PRO  77  -7.628  13.669 -13.488
  548   2HD   PRO  77          1HD       PRO  77  -6.939  12.332 -12.548
  549    H    LYS  78           H        LYS  78  -8.733  16.420 -10.766
  550    HA   LYS  78           HA       LYS  78  -8.075  18.479 -12.777
  551   1HB   LYS  78          2HB       LYS  78 -10.789  17.242 -12.277
  552   2HB   LYS  78          1HB       LYS  78 -10.437  18.510 -13.440
  553   1HG   LYS  78          2HG       LYS  78  -8.967  16.949 -14.656
  554   2HG   LYS  78          1HG       LYS  78  -9.417  15.678 -13.517
  555   1HD   LYS  78          2HD       LYS  78 -11.779  15.975 -14.165
  556   2HD   LYS  78          1HD       LYS  78 -11.283  17.182 -15.349
  557   1HE   LYS  78          2HE       LYS  78 -10.393  14.301 -15.324
  558   2HE   LYS  78          1HE       LYS  78 -11.670  14.959 -16.346
  559   1HZ   LYS  78          1HZ       LYS  78  -9.587  14.785 -17.543
  560   2HZ   LYS  78          2HZ       LYS  78  -8.812  15.771 -16.404
  561   3HZ   LYS  78          3HZ       LYS  78 -10.039  16.414 -17.384
  562    H    GLU  79           H        GLU  79  -8.146  18.277  -9.645
  563    HA   GLU  79           HA       GLU  79  -9.300  20.906  -9.274
  564   1HB   GLU  79          2HB       GLU  79 -11.238  19.335  -9.074
  565   2HB   GLU  79          1HB       GLU  79 -10.434  18.587  -7.703
  566   1HG   GLU  79          2HG       GLU  79 -10.455  20.839  -6.594
  567   2HG   GLU  79          1HG       GLU  79 -11.493  21.391  -7.907
  568    H    ASP  80           H        ASP  80  -6.770  20.611  -8.991
  569    HA   ASP  80           HA       ASP  80  -6.246  21.398  -6.356
  570   1HB   ASP  80          2HB       ASP  80  -6.437  19.028  -5.779
  571   2HB   ASP  80          1HB       ASP  80  -5.250  18.615  -7.014
  Start of MODEL   13
    1   1H    ALA   1          1HT       ALA   1  -8.080 -17.560  -4.238
    2   2H    ALA   1          2HT       ALA   1  -7.015 -17.570  -5.564
    3   3H    ALA   1          3HT       ALA   1  -7.356 -16.116  -4.755
    4    HA   ALA   1           HA       ALA   1  -5.973 -18.437  -3.552
    5   1HB   ALA   1          1HB       ALA   1  -4.605 -17.363  -5.271
    6   2HB   ALA   1          2HB       ALA   1  -3.957 -17.051  -3.661
    7   3HB   ALA   1          3HB       ALA   1  -4.864 -15.795  -4.504
    8    H    GLN   2           H        GLN   2  -5.268 -18.077  -1.412
    9    HA   GLN   2           HA       GLN   2  -7.062 -16.449   0.114
   10   1HB   GLN   2          2HB       GLN   2  -4.673 -18.108   0.908
   11   2HB   GLN   2          1HB       GLN   2  -5.674 -17.227   2.056
   12   1HG   GLN   2          2HG       GLN   2  -6.726 -19.342   0.193
   13   2HG   GLN   2          1HG       GLN   2  -6.188 -19.657   1.843
   14   1HE2  GLN   2          1HE2      GLN   2  -8.657 -18.355  -0.167
   15   2HE2  GLN   2          2HE2      GLN   2  -9.799 -18.019   1.094
   16    H    VAL   3           H        VAL   3  -6.823 -14.339   0.192
   17    HA   VAL   3           HA       VAL   3  -4.117 -13.229   0.476
   18    HB   VAL   3           HB       VAL   3  -5.092 -11.027  -0.042
   19   1HG1  VAL   3          1HG1      VAL   3  -5.704 -13.165  -2.076
   20   2HG1  VAL   3          2HG1      VAL   3  -4.158 -12.353  -1.842
   21   3HG1  VAL   3          3HG1      VAL   3  -5.551 -11.442  -2.419
   22   1HG2  VAL   3          1HG2      VAL   3  -7.382 -10.865  -0.916
   23   2HG2  VAL   3          2HG2      VAL   3  -7.360 -11.374   0.772
   24   3HG2  VAL   3          3HG2      VAL   3  -7.655 -12.556  -0.502
   25    H    ASN   4           H        ASN   4  -3.520 -12.141   2.306
   26    HA   ASN   4           HA       ASN   4  -5.577 -11.844   4.385
   27   1HB   ASN   4          2HB       ASN   4  -4.160 -13.836   4.866
   28   2HB   ASN   4          1HB       ASN   4  -2.731 -12.810   4.822
   29   1HD2  ASN   4          1HD2      ASN   4  -5.560 -13.725   6.600
   30   2HD2  ASN   4          2HD2      ASN   4  -5.143 -12.924   8.083
   31    H    ILE   5           H        ILE   5  -5.815  -9.693   4.236
   32    HA   ILE   5           HA       ILE   5  -3.388  -8.045   4.424
   33    HB   ILE   5           HB       ILE   5  -5.851  -7.352   2.804
   34   1HG1  ILE   5          2HG1      ILE   5  -3.120  -8.220   1.826
   35   2HG1  ILE   5          1HG1      ILE   5  -4.549  -9.247   1.841
   36   1HG2  ILE   5          1HG2      ILE   5  -3.150  -6.014   2.937
   37   2HG2  ILE   5          2HG2      ILE   5  -4.619  -5.426   3.717
   38   3HG2  ILE   5          3HG2      ILE   5  -4.527  -5.502   1.958
   39   1HD1  ILE   5          1HD1      ILE   5  -4.248  -6.690   0.283
   40   2HD1  ILE   5          2HD1      ILE   5  -5.651  -7.759   0.270
   41   3HD1  ILE   5          3HD1      ILE   5  -4.106  -8.324  -0.370
   42    H    ALA   6           H        ALA   6  -3.611  -6.089   5.556
   43    HA   ALA   6           HA       ALA   6  -6.034  -5.369   6.903
   44   1HB   ALA   6          1HB       ALA   6  -3.783  -6.612   8.505
   45   2HB   ALA   6          2HB       ALA   6  -5.383  -7.315   8.250
   46   3HB   ALA   6          3HB       ALA   6  -5.212  -5.824   9.179
   47    HA   PRO   7           HA       PRO   7  -4.305  -1.336   7.287
   48   1HB   PRO   7          2HB       PRO   7  -4.011  -1.727  10.239
   49   2HB   PRO   7          1HB       PRO   7  -4.684  -0.355   9.349
   50   1HG   PRO   7          2HG       PRO   7  -6.291  -2.125  10.510
   51   2HG   PRO   7          1HG       PRO   7  -6.685  -1.441   8.923
   52   1HD   PRO   7          2HD       PRO   7  -5.701  -4.155   9.621
   53   2HD   PRO   7          1HD       PRO   7  -6.746  -3.642   8.283
   54    H    GLY   8           H        GLY   8  -2.328  -0.614   6.850
   55   1HA   GLY   8          2HA       GLY   8  -0.081  -0.559   8.296
   56   2HA   GLY   8          1HA       GLY   8  -0.027  -2.198   7.661
   57    H    SER   9           H        SER   9  -1.122   0.821   6.173
   58    HA   SER   9           HA       SER   9  -0.670   1.787   4.171
   59   1HB   SER   9          2HB       SER   9   1.994   0.350   4.326
   60   2HB   SER   9          1HB       SER   9   1.603   1.725   3.294
   61    HG   SER   9           HG       SER   9   1.508   3.045   5.052
   62    H    LEU  10           H        LEU  10  -1.186   1.347   2.067
   63    HA   LEU  10           HA       LEU  10  -2.062  -1.193   1.314
   64   1HB   LEU  10          2HB       LEU  10  -2.798   0.933   0.285
   65   2HB   LEU  10          1HB       LEU  10  -1.224   1.100  -0.469
   66    HG   LEU  10           HG       LEU  10  -1.652  -0.991  -1.738
   67   1HD1  LEU  10          1HD1      LEU  10  -3.229  -2.045  -0.223
   68   2HD1  LEU  10          2HD1      LEU  10  -3.945  -1.858  -1.826
   69   3HD1  LEU  10          3HD1      LEU  10  -4.400  -0.758  -0.521
   70   1HD2  LEU  10          1HD2      LEU  10  -3.275  -0.002  -3.285
   71   2HD2  LEU  10          2HD2      LEU  10  -2.086   1.180  -2.741
   72   3HD2  LEU  10          3HD2      LEU  10  -3.711   1.189  -2.058
   73    H    ASP  11           H        ASP  11   1.028   0.317   1.145
   74    HA   ASP  11           HA       ASP  11   2.482  -1.121  -0.635
   75   1HB   ASP  11          2HB       ASP  11   3.503   0.616   0.670
   76   2HB   ASP  11          1HB       ASP  11   3.245  -0.281   2.161
   77    H    LYS  12           H        LYS  12   1.759  -2.197   2.724
   78    HA   LYS  12           HA       LYS  12   3.227  -4.596   2.448
   79   1HB   LYS  12          2HB       LYS  12   2.326  -5.229   4.573
   80   2HB   LYS  12          1HB       LYS  12   2.702  -3.517   4.623
   81   1HG   LYS  12          2HG       LYS  12   0.682  -3.314   5.540
   82   2HG   LYS  12          1HG       LYS  12   0.083  -3.468   3.890
   83   1HD   LYS  12          2HD       LYS  12  -1.122  -4.964   5.382
   84   2HD   LYS  12          1HD       LYS  12  -0.169  -5.887   4.220
   85   1HE   LYS  12          2HE       LYS  12  -0.000  -6.859   6.445
   86   2HE   LYS  12          1HE       LYS  12   1.560  -6.245   5.908
   87   1HZ   LYS  12          1HZ       LYS  12   1.063  -5.712   8.237
   88   2HZ   LYS  12          2HZ       LYS  12  -0.275  -4.799   7.745
   89   3HZ   LYS  12          3HZ       LYS  12   1.284  -4.321   7.297
   90    H    ALA  13           H        ALA  13   0.012  -3.691   1.538
   91    HA   ALA  13           HA       ALA  13  -1.155  -6.273   1.481
   92   1HB   ALA  13          1HB       ALA  13  -2.494  -4.226   1.436
   93   2HB   ALA  13          2HB       ALA  13  -2.842  -5.250   0.043
   94   3HB   ALA  13          3HB       ALA  13  -1.828  -3.820  -0.145
   95    H    LEU  14           H        LEU  14   0.005  -4.206  -1.185
   96    HA   LEU  14           HA       LEU  14   0.099  -6.163  -3.147
   97   1HB   LEU  14          2HB       LEU  14   1.906  -3.764  -2.836
   98   2HB   LEU  14          1HB       LEU  14   1.659  -4.674  -4.314
   99    HG   LEU  14           HG       LEU  14  -0.462  -3.073  -2.880
  100   1HD1  LEU  14          1HD1      LEU  14   1.204  -1.634  -3.888
  101   2HD1  LEU  14          2HD1      LEU  14  -0.298  -1.568  -4.812
  102   3HD1  LEU  14          3HD1      LEU  14   1.067  -2.509  -5.413
  103   1HD2  LEU  14          1HD2      LEU  14  -1.815  -3.488  -4.874
  104   2HD2  LEU  14          2HD2      LEU  14  -1.393  -4.997  -4.062
  105   3HD2  LEU  14          3HD2      LEU  14  -0.538  -4.516  -5.528
  106    H    ASN  15           H        ASN  15   2.487  -5.272  -0.712
  107    HA   ASN  15           HA       ASN  15   4.644  -6.803  -1.660
  108   1HB   ASN  15          2HB       ASN  15   4.870  -5.099   0.103
  109   2HB   ASN  15          1HB       ASN  15   3.919  -6.097   1.196
  110   1HD2  ASN  15          1HD2      ASN  15   5.544  -6.235   2.700
  111   2HD2  ASN  15          2HD2      ASN  15   6.970  -7.181   2.459
  112    H    GLN  16           H        GLN  16   1.933  -7.617   0.483
  113    HA   GLN  16           HA       GLN  16   2.727 -10.203   1.161
  114   1HB   GLN  16          2HB       GLN  16   0.871  -8.845   2.197
  115   2HB   GLN  16          1HB       GLN  16  -0.110  -9.224   0.792
  116   1HG   GLN  16          2HG       GLN  16   1.077 -11.504   2.259
  117   2HG   GLN  16          1HG       GLN  16  -0.214 -10.613   3.058
  118   1HE2  GLN  16          1HE2      GLN  16   0.620 -12.704   0.414
  119   2HE2  GLN  16          2HE2      GLN  16  -1.001 -13.081  -0.055
  120    H    TYR  17           H        TYR  17   0.752  -9.033  -1.593
  121    HA   TYR  17           HA       TYR  17   0.199 -11.660  -2.560
  122   1HB   TYR  17          2HB       TYR  17  -1.040  -9.374  -2.980
  123   2HB   TYR  17          1HB       TYR  17   0.120  -9.208  -4.291
  124    HD1  TYR  17           1HD      TYR  17   0.240 -11.264  -5.945
  125    HD2  TYR  17           2HD      TYR  17  -3.058 -10.446  -3.381
  126    HE1  TYR  17           1HE      TYR  17  -1.210 -12.615  -7.390
  127    HE2  TYR  17           2HE      TYR  17  -4.517 -11.799  -4.824
  128    HH   TYR  17           HH       TYR  17  -4.595 -12.586  -7.146
  129    H    ALA  18           H        ALA  18   2.487  -9.091  -3.443
  130    HA   ALA  18           HA       ALA  18   3.682 -10.196  -5.653
  131   1HB   ALA  18          1HB       ALA  18   5.049  -8.590  -3.502
  132   2HB   ALA  18          2HB       ALA  18   4.118  -7.928  -4.847
  133   3HB   ALA  18          3HB       ALA  18   5.615  -8.810  -5.158
  134    H    ALA  19           H        ALA  19   4.782 -10.601  -2.280
  135    HA   ALA  19           HA       ALA  19   6.925 -12.316  -2.892
  136   1HB   ALA  19          1HB       ALA  19   6.975 -12.839  -0.526
  137   2HB   ALA  19          2HB       ALA  19   5.363 -12.158  -0.319
  138   3HB   ALA  19          3HB       ALA  19   6.710 -11.114  -0.766
  139    H    HIS  20           H        HIS  20   3.548 -12.892  -2.688
  140    HA   HIS  20           HA       HIS  20   3.572 -15.647  -2.086
  141   1HB   HIS  20          2HB       HIS  20   1.540 -14.393  -1.818
  142   2HB   HIS  20          1HB       HIS  20   1.539 -13.928  -3.511
  143    HD1  HIS  20           1HD      HIS  20   1.372 -17.186  -1.517
  144    HD2  HIS  20           2HD      HIS  20  -0.115 -15.444  -4.992
  145    HE1  HIS  20           1HE      HIS  20  -0.237 -18.862  -2.491
  146    HE2  HIS  20           2HE      HIS  20  -0.954 -17.870  -4.699
  147    H    SER  21           H        SER  21   3.375 -13.969  -5.279
  148    HA   SER  21           HA       SER  21   3.813 -16.605  -6.497
  149   1HB   SER  21          2HB       SER  21   2.659 -14.113  -7.760
  150   2HB   SER  21          1HB       SER  21   2.758 -15.716  -8.496
  151    HG   SER  21           HG       SER  21   0.686 -15.244  -7.554
  152    H    GLY  22           H        GLY  22   5.483 -13.843  -5.769
  153   1HA   GLY  22          2HA       GLY  22   7.661 -13.281  -6.223
  154   2HA   GLY  22          1HA       GLY  22   7.782 -14.762  -7.154
  155    H    PHE  23           H        PHE  23   5.797 -11.836  -7.619
  156    HA   PHE  23           HA       PHE  23   7.015 -11.593 -10.290
  157   1HB   PHE  23          2HB       PHE  23   4.915 -10.254 -10.837
  158   2HB   PHE  23          1HB       PHE  23   4.698 -11.984 -10.615
  159    HD1  PHE  23           1HD      PHE  23   3.192 -12.805  -9.035
  160    HD2  PHE  23           2HD      PHE  23   4.359  -8.718  -8.919
  161    HE1  PHE  23           1HE      PHE  23   1.452 -12.358  -7.358
  162    HE2  PHE  23           2HE      PHE  23   2.624  -8.264  -7.241
  163    HZ   PHE  23           HZ       PHE  23   1.182 -10.120  -6.441
  164    H    THR  24           H        THR  24   7.102  -9.313 -11.123
  165    HA   THR  24           HA       THR  24   8.310  -7.705  -9.000
  166    HB   THR  24           HB       THR  24   8.582  -7.401 -11.994
  167    HG1  THR  24           1HG      THR  24   9.525  -9.295 -10.408
  168   1HG2  THR  24          1HG2      THR  24   9.126  -5.363 -10.765
  169   2HG2  THR  24          2HG2      THR  24  10.593  -6.099 -11.413
  170   3HG2  THR  24          3HG2      THR  24  10.198  -6.270  -9.701
  171    H    LEU  25           H        LEU  25   7.271  -6.045  -8.205
  172    HA   LEU  25           HA       LEU  25   5.102  -4.772  -9.646
  173   1HB   LEU  25          2HB       LEU  25   5.983  -4.953  -6.883
  174   2HB   LEU  25          1HB       LEU  25   5.573  -3.306  -7.327
  175    HG   LEU  25           HG       LEU  25   3.693  -4.654  -6.326
  176   1HD1  LEU  25          1HD1      LEU  25   2.025  -3.847  -7.920
  177   2HD1  LEU  25          2HD1      LEU  25   3.285  -3.604  -9.127
  178   3HD1  LEU  25          3HD1      LEU  25   3.279  -2.638  -7.652
  179   1HD2  LEU  25          1HD2      LEU  25   4.172  -6.776  -7.372
  180   2HD2  LEU  25          2HD2      LEU  25   3.877  -6.081  -8.966
  181   3HD2  LEU  25          3HD2      LEU  25   2.551  -6.227  -7.811
  182    H    SER  26           H        SER  26   5.495  -3.224 -11.052
  183    HA   SER  26           HA       SER  26   7.944  -1.637 -10.807
  184   1HB   SER  26          2HB       SER  26   7.521  -2.777 -12.967
  185   2HB   SER  26          1HB       SER  26   6.017  -1.877 -13.138
  186    HG   SER  26           HG       SER  26   8.475  -1.136 -13.841
  187    H    VAL  27           H        VAL  27   7.420  -0.142  -9.279
  188    HA   VAL  27           HA       VAL  27   5.564   1.941 -10.098
  189    HB   VAL  27           HB       VAL  27   4.137   0.520  -8.744
  190   1HG1  VAL  27          1HG1      VAL  27   5.801  -0.680  -7.466
  191   2HG1  VAL  27          2HG1      VAL  27   4.646   0.076  -6.369
  192   3HG1  VAL  27          3HG1      VAL  27   6.239   0.792  -6.602
  193   1HG2  VAL  27          1HG2      VAL  27   4.993   3.003  -7.257
  194   2HG2  VAL  27          2HG2      VAL  27   3.495   2.117  -6.973
  195   3HG2  VAL  27          3HG2      VAL  27   3.772   2.902  -8.528
  196    H    ASP  28           H        ASP  28   6.155   3.945  -9.426
  197    HA   ASP  28           HA       ASP  28   8.706   4.192  -8.040
  198   1HB   ASP  28          2HB       ASP  28   6.939   6.128  -9.519
  199   2HB   ASP  28          1HB       ASP  28   8.244   6.702  -8.487
  200    H    ALA  29           H        ALA  29   8.956   4.821  -6.008
  201    HA   ALA  29           HA       ALA  29   6.848   4.757  -4.157
  202   1HB   ALA  29          1HB       ALA  29   8.480   5.437  -2.510
  203   2HB   ALA  29          2HB       ALA  29   9.578   5.976  -3.781
  204   3HB   ALA  29          3HB       ALA  29   9.198   4.261  -3.613
  205    H    SER  30           H        SER  30   5.352   6.249  -5.136
  206    HA   SER  30           HA       SER  30   5.354   8.807  -3.864
  207   1HB   SER  30          2HB       SER  30   5.631   8.697  -6.881
  208   2HB   SER  30          1HB       SER  30   5.119  10.130  -5.992
  209    HG   SER  30           HG       SER  30   7.439   9.000  -5.044
  210    H    LEU  31           H        LEU  31   4.001   6.656  -6.307
  211    HA   LEU  31           HA       LEU  31   1.380   7.790  -6.175
  212   1HB   LEU  31          2HB       LEU  31   2.311   5.124  -7.239
  213   2HB   LEU  31          1HB       LEU  31   0.704   5.793  -7.466
  214    HG   LEU  31           HG       LEU  31   3.276   6.955  -8.541
  215   1HD1  LEU  31          1HD1      LEU  31   2.566   4.932  -9.702
  216   2HD1  LEU  31          2HD1      LEU  31   2.361   6.356 -10.720
  217   3HD1  LEU  31          3HD1      LEU  31   0.962   5.624  -9.938
  218   1HD2  LEU  31          1HD2      LEU  31   1.655   8.691  -7.941
  219   2HD2  LEU  31          2HD2      LEU  31   0.431   7.880  -8.916
  220   3HD2  LEU  31          3HD2      LEU  31   1.861   8.566  -9.686
  221    H    THR  32           H        THR  32   3.052   5.158  -4.564
  222    HA   THR  32           HA       THR  32   0.648   4.385  -3.124
  223    HB   THR  32           HB       THR  32   2.321   2.778  -1.996
  224    HG1  THR  32           1HG      THR  32   4.310   2.681  -2.811
  225   1HG2  THR  32          1HG2      THR  32   1.834   2.542  -4.967
  226   2HG2  THR  32          2HG2      THR  32   0.687   2.098  -3.704
  227   3HG2  THR  32          3HG2      THR  32   2.206   1.218  -3.864
  228    H    ARG  33           H        ARG  33   3.125   6.610  -2.827
  229    HA   ARG  33           HA       ARG  33   3.640   6.587  -0.056
  230   1HB   ARG  33          2HB       ARG  33   5.081   7.744  -1.666
  231   2HB   ARG  33          1HB       ARG  33   3.782   8.860  -2.048
  232   1HG   ARG  33          2HG       ARG  33   3.852   9.702   0.258
  233   2HG   ARG  33          1HG       ARG  33   5.192   8.605   0.601
  234   1HD   ARG  33          2HD       ARG  33   5.986  10.872   0.096
  235   2HD   ARG  33          1HD       ARG  33   6.548   9.701  -1.095
  236    HE   ARG  33           HE       ARG  33   4.117  11.158  -1.751
  237   1HH1  ARG  33          1HH1      ARG  33   7.593  10.904  -2.116
  238   2HH1  ARG  33          2HH1      ARG  33   7.638  11.834  -3.582
  239   1HH2  ARG  33          1HH2      ARG  33   4.165  12.373  -3.681
  240   2HH2  ARG  33          2HH2      ARG  33   5.686  12.665  -4.482
  241    H    GLY  34           H        GLY  34   2.048   6.714   1.383
  242   1HA   GLY  34          2HA       GLY  34   0.568   8.125   2.639
  243   2HA   GLY  34          1HA       GLY  34   0.138   8.943   1.141
  244    H    LYS  35           H        LYS  35   0.374   5.540   0.937
  245    HA   LYS  35           HA       LYS  35  -2.560   5.359   0.926
  246   1HB   LYS  35          2HB       LYS  35  -0.462   4.143  -0.733
  247   2HB   LYS  35          1HB       LYS  35  -1.726   3.034  -0.225
  248   1HG   LYS  35          2HG       LYS  35  -2.395   3.889  -2.302
  249   2HG   LYS  35          1HG       LYS  35  -3.383   4.709  -1.088
  250   1HD   LYS  35          2HD       LYS  35  -1.948   6.666  -1.201
  251   2HD   LYS  35          1HD       LYS  35  -0.882   5.848  -2.348
  252   1HE   LYS  35          2HE       LYS  35  -2.863   5.645  -3.881
  253   2HE   LYS  35          1HE       LYS  35  -3.739   6.696  -2.767
  254   1HZ   LYS  35          1HZ       LYS  35  -1.250   7.392  -4.221
  255   2HZ   LYS  35          2HZ       LYS  35  -2.052   8.403  -3.127
  256   3HZ   LYS  35          3HZ       LYS  35  -2.805   7.962  -4.584
  257    H    GLN  36           H        GLN  36  -3.477   4.398   2.541
  258    HA   GLN  36           HA       GLN  36  -2.276   1.947   3.608
  259   1HB   GLN  36          2HB       GLN  36  -2.968   2.602   5.896
  260   2HB   GLN  36          1HB       GLN  36  -1.714   3.641   5.241
  261   1HG   GLN  36          2HG       GLN  36  -3.443   5.306   4.666
  262   2HG   GLN  36          1HG       GLN  36  -4.646   4.277   5.443
  263   1HE2  GLN  36          1HE2      GLN  36  -4.612   4.038   7.689
  264   2HE2  GLN  36          2HE2      GLN  36  -3.737   5.131   8.706
  265    H    SER  37           H        SER  37  -3.760   0.310   3.877
  266    HA   SER  37           HA       SER  37  -6.532   1.004   3.243
  267   1HB   SER  37          2HB       SER  37  -5.248  -0.297   1.502
  268   2HB   SER  37          1HB       SER  37  -5.073  -1.589   2.680
  269    HG   SER  37           HG       SER  37  -7.254  -0.873   1.171
  270    H    ASN  38           H        ASN  38  -8.084   0.207   4.576
  271    HA   ASN  38           HA       ASN  38  -7.353  -0.847   7.105
  272   1HB   ASN  38          2HB       ASN  38  -9.977  -0.364   5.744
  273   2HB   ASN  38          1HB       ASN  38  -9.916  -1.219   7.281
  274   1HD2  ASN  38          1HD2      ASN  38  -7.637   1.301   6.447
  275   2HD2  ASN  38          2HD2      ASN  38  -8.234   2.467   7.579
  276    H    GLY  39           H        GLY  39  -7.448  -2.432   4.213
  277   1HA   GLY  39          2HA       GLY  39  -6.282  -4.587   4.516
  278   2HA   GLY  39          1HA       GLY  39  -7.473  -4.957   5.752
  279    H    LEU  40           H        LEU  40  -7.395  -6.936   4.184
  280    HA   LEU  40           HA       LEU  40  -9.813  -6.937   2.698
  281   1HB   LEU  40          2HB       LEU  40  -8.288  -6.000   0.984
  282   2HB   LEU  40          1HB       LEU  40  -7.210  -7.365   1.205
  283    HG   LEU  40           HG       LEU  40  -9.033  -8.872   0.413
  284   1HD1  LEU  40          1HD1      LEU  40 -10.415  -6.282  -0.278
  285   2HD1  LEU  40          2HD1      LEU  40 -10.927  -7.426   0.964
  286   3HD1  LEU  40          3HD1      LEU  40 -10.945  -7.901  -0.736
  287   1HD2  LEU  40          1HD2      LEU  40  -7.276  -8.135  -1.098
  288   2HD2  LEU  40          2HD2      LEU  40  -8.193  -6.679  -1.480
  289   3HD2  LEU  40          3HD2      LEU  40  -8.816  -8.260  -1.949
  290    H    HIS  41           H        HIS  41 -10.633  -9.032   2.930
  291    HA   HIS  41           HA       HIS  41  -8.699 -11.181   3.397
  292   1HB   HIS  41          2HB       HIS  41  -9.359 -10.131   5.602
  293   2HB   HIS  41          1HB       HIS  41 -10.989 -10.719   5.309
  294    HD1  HIS  41           1HD      HIS  41 -10.664 -12.138   7.527
  295    HD2  HIS  41           2HD      HIS  41  -8.188 -13.187   4.353
  296    HE1  HIS  41           1HE      HIS  41  -9.734 -14.400   8.108
  297    HE2  HIS  41           2HE      HIS  41  -8.112 -14.933   6.255
  298    H    GLY  42           H        GLY  42  -9.236 -12.306   1.633
  299   1HA   GLY  42          2HA       GLY  42 -11.540 -13.985   1.822
  300   2HA   GLY  42          1HA       GLY  42 -11.702 -12.822   0.512
  301    H    ASP  43           H        ASP  43 -11.775 -15.045  -0.617
  302    HA   ASP  43           HA       ASP  43  -9.023 -15.768  -1.366
  303   1HB   ASP  43          2HB       ASP  43 -10.706 -17.603  -0.780
  304   2HB   ASP  43          1HB       ASP  43 -11.527 -17.186  -2.284
  305    H    TYR  44           H        TYR  44  -8.503 -14.059  -2.635
  306    HA   TYR  44           HA       TYR  44 -10.273 -13.477  -4.909
  307   1HB   TYR  44          2HB       TYR  44  -8.359 -11.757  -3.349
  308   2HB   TYR  44          1HB       TYR  44  -8.907 -11.291  -4.955
  309    HD1  TYR  44           1HD      TYR  44  -9.839 -11.655  -1.439
  310    HD2  TYR  44           2HD      TYR  44 -11.253 -10.697  -5.336
  311    HE1  TYR  44           1HE      TYR  44 -11.870 -10.673  -0.456
  312    HE2  TYR  44           2HE      TYR  44 -13.284  -9.714  -4.366
  313    HH   TYR  44           HH       TYR  44 -13.604  -9.024  -1.048
  314    H    ASP  45           H        ASP  45  -9.364 -13.185  -6.954
  315    HA   ASP  45           HA       ASP  45  -6.709 -14.380  -7.292
  316   1HB   ASP  45          2HB       ASP  45  -8.775 -15.200  -8.597
  317   2HB   ASP  45          1HB       ASP  45  -8.652 -13.699  -9.508
  318    H    VAL  46           H        VAL  46  -5.946 -13.176  -9.673
  319    HA   VAL  46           HA       VAL  46  -4.524 -11.032  -8.674
  320    HB   VAL  46           HB       VAL  46  -5.193 -11.482 -11.584
  321   1HG1  VAL  46          1HG1      VAL  46  -2.886 -10.067 -10.253
  322   2HG1  VAL  46          2HG1      VAL  46  -4.165  -9.326 -11.217
  323   3HG1  VAL  46          3HG1      VAL  46  -3.002 -10.412 -11.977
  324   1HG2  VAL  46          1HG2      VAL  46  -4.336 -13.522 -10.559
  325   2HG2  VAL  46          2HG2      VAL  46  -2.952 -12.633  -9.922
  326   3HG2  VAL  46          3HG2      VAL  46  -3.149 -12.827 -11.664
  327    H    GLU  47           H        GLU  47  -7.076 -10.637 -11.178
  328    HA   GLU  47           HA       GLU  47  -6.854  -7.842 -11.071
  329   1HB   GLU  47          2HB       GLU  47  -8.642  -7.752 -12.651
  330   2HB   GLU  47          1HB       GLU  47  -7.619  -9.118 -13.048
  331   1HG   GLU  47          2HG       GLU  47 -10.246  -9.304 -11.591
  332   2HG   GLU  47          1HG       GLU  47 -10.027  -9.564 -13.319
  333    H    SER  48           H        SER  48  -9.269  -9.989  -9.561
  334    HA   SER  48           HA       SER  48 -10.998  -7.771  -8.953
  335   1HB   SER  48          2HB       SER  48 -11.751 -10.167  -9.399
  336   2HB   SER  48          1HB       SER  48 -11.194 -10.538  -7.769
  337    HG   SER  48           HG       SER  48 -13.166  -8.625  -8.507
  338    H    GLY  49           H        GLY  49  -8.390  -9.414  -7.398
  339   1HA   GLY  49          2HA       GLY  49  -9.086  -8.632  -4.710
  340   2HA   GLY  49          1HA       GLY  49  -7.554  -9.324  -5.234
  341    H    LEU  50           H        LEU  50  -6.977  -7.472  -7.267
  342    HA   LEU  50           HA       LEU  50  -5.767  -5.406  -5.732
  343   1HB   LEU  50          2HB       LEU  50  -6.078  -5.683  -8.722
  344   2HB   LEU  50          1HB       LEU  50  -4.998  -4.568  -7.909
  345    HG   LEU  50           HG       LEU  50  -4.805  -7.574  -7.736
  346   1HD1  LEU  50          1HD1      LEU  50  -2.822  -7.315  -9.159
  347   2HD1  LEU  50          2HD1      LEU  50  -3.201  -5.603  -9.354
  348   3HD1  LEU  50          3HD1      LEU  50  -4.304  -6.828  -9.983
  349   1HD2  LEU  50          1HD2      LEU  50  -2.630  -7.129  -6.720
  350   2HD2  LEU  50          2HD2      LEU  50  -3.940  -6.427  -5.771
  351   3HD2  LEU  50          3HD2      LEU  50  -2.946  -5.397  -6.798
  352    H    GLN  51           H        GLN  51  -8.516  -5.577  -7.954
  353    HA   GLN  51           HA       GLN  51  -9.105  -2.878  -8.173
  354   1HB   GLN  51          2HB       GLN  51 -10.157  -4.651  -9.525
  355   2HB   GLN  51          1HB       GLN  51 -11.064  -5.178  -8.114
  356   1HG   GLN  51          2HG       GLN  51 -12.426  -3.820  -9.609
  357   2HG   GLN  51          1HG       GLN  51 -12.230  -3.057  -8.033
  358   1HE2  GLN  51          1HE2      GLN  51 -12.679  -1.017  -8.819
  359   2HE2  GLN  51          2HE2      GLN  51 -11.564  -0.140  -9.813
  360    H    GLN  52           H        GLN  52 -10.020  -5.152  -5.623
  361    HA   GLN  52           HA       GLN  52 -11.763  -3.417  -4.244
  362   1HB   GLN  52          2HB       GLN  52 -10.128  -5.782  -3.354
  363   2HB   GLN  52          1HB       GLN  52 -11.146  -4.885  -2.236
  364   1HG   GLN  52          2HG       GLN  52 -12.052  -6.324  -4.720
  365   2HG   GLN  52          1HG       GLN  52 -12.308  -6.837  -3.050
  366   1HE2  GLN  52          1HE2      GLN  52 -13.241  -4.608  -5.538
  367   2HE2  GLN  52          2HE2      GLN  52 -14.647  -3.977  -4.747
  368    H    LEU  53           H        LEU  53  -8.298  -4.045  -3.883
  369    HA   LEU  53           HA       LEU  53  -7.792  -2.236  -1.802
  370   1HB   LEU  53          2HB       LEU  53  -5.973  -3.101  -4.049
  371   2HB   LEU  53          1HB       LEU  53  -5.454  -2.311  -2.571
  372    HG   LEU  53           HG       LEU  53  -6.757  -5.034  -2.726
  373   1HD1  LEU  53          1HD1      LEU  53  -4.562  -5.898  -2.136
  374   2HD1  LEU  53          2HD1      LEU  53  -3.894  -4.267  -2.181
  375   3HD1  LEU  53          3HD1      LEU  53  -4.499  -5.013  -3.660
  376   1HD2  LEU  53          1HD2      LEU  53  -5.554  -3.552  -0.391
  377   2HD2  LEU  53          2HD2      LEU  53  -6.149  -5.212  -0.365
  378   3HD2  LEU  53          3HD2      LEU  53  -7.270  -3.878  -0.644
  379    H    LEU  54           H        LEU  54  -8.489  -1.671  -5.124
  380    HA   LEU  54           HA       LEU  54  -7.151   0.893  -5.246
  381   1HB   LEU  54          2HB       LEU  54  -8.999  -0.433  -7.220
  382   2HB   LEU  54          1HB       LEU  54  -8.048   1.009  -7.519
  383    HG   LEU  54           HG       LEU  54  -6.938  -1.738  -6.955
  384   1HD1  LEU  54          1HD1      LEU  54  -6.963  -0.148  -9.507
  385   2HD1  LEU  54          2HD1      LEU  54  -8.022  -1.511  -9.156
  386   3HD1  LEU  54          3HD1      LEU  54  -6.279  -1.755  -9.268
  387   1HD2  LEU  54          1HD2      LEU  54  -4.783  -0.741  -7.547
  388   2HD2  LEU  54          2HD2      LEU  54  -5.477   0.010  -6.111
  389   3HD2  LEU  54          3HD2      LEU  54  -5.553   0.840  -7.666
  390    H    ASP  55           H        ASP  55 -10.296  -0.276  -4.476
  391    HA   ASP  55           HA       ASP  55 -11.755   2.039  -5.255
  392   1HB   ASP  55          2HB       ASP  55 -12.758  -0.228  -4.932
  393   2HB   ASP  55          1HB       ASP  55 -12.548  -0.030  -3.195
  394    H    GLY  56           H        GLY  56 -10.845   3.867  -4.425
  395   1HA   GLY  56          2HA       GLY  56 -11.372   5.452  -2.633
  396   2HA   GLY  56          1HA       GLY  56 -11.039   4.158  -1.491
  397    H    SER  57           H        SER  57  -8.719   3.596  -3.625
  398    HA   SER  57           HA       SER  57  -6.834   5.261  -2.129
  399   1HB   SER  57          2HB       SER  57  -5.109   3.671  -3.059
  400   2HB   SER  57          1HB       SER  57  -6.297   2.939  -1.982
  401    HG   SER  57           HG       SER  57  -6.662   1.622  -3.565
  402    H    GLY  58           H        GLY  58  -8.308   5.110  -5.167
  403   1HA   GLY  58          2HA       GLY  58  -8.141   6.558  -6.936
  404   2HA   GLY  58          1HA       GLY  58  -6.937   7.448  -6.018
  405    H    LEU  59           H        LEU  59  -6.585   4.067  -6.735
  406    HA   LEU  59           HA       LEU  59  -4.416   4.740  -8.605
  407   1HB   LEU  59          2HB       LEU  59  -4.589   2.519  -6.572
  408   2HB   LEU  59          1HB       LEU  59  -3.340   2.640  -7.787
  409    HG   LEU  59           HG       LEU  59  -3.837   4.672  -5.619
  410   1HD1  LEU  59          1HD1      LEU  59  -1.663   2.599  -5.894
  411   2HD1  LEU  59          2HD1      LEU  59  -2.988   2.567  -4.729
  412   3HD1  LEU  59          3HD1      LEU  59  -1.765   3.836  -4.639
  413   1HD2  LEU  59          1HD2      LEU  59  -1.716   5.643  -6.340
  414   2HD2  LEU  59          2HD2      LEU  59  -2.890   5.650  -7.655
  415   3HD2  LEU  59          3HD2      LEU  59  -1.599   4.450  -7.633
  416    H    GLN  60           H        GLN  60  -3.841   2.847 -10.063
  417    HA   GLN  60           HA       GLN  60  -6.053   1.068 -10.642
  418   1HB   GLN  60          2HB       GLN  60  -6.387   3.110 -12.043
  419   2HB   GLN  60          1HB       GLN  60  -4.824   2.793 -12.768
  420   1HG   GLN  60          2HG       GLN  60  -5.635   0.648 -13.603
  421   2HG   GLN  60          1HG       GLN  60  -7.211   0.972 -12.882
  422   1HE2  GLN  60          1HE2      GLN  60  -8.290   0.909 -14.847
  423   2HE2  GLN  60          2HE2      GLN  60  -8.112   2.150 -16.041
  424    H    VAL  61           H        VAL  61  -5.184  -0.904 -10.784
  425    HA   VAL  61           HA       VAL  61  -2.322  -1.130 -11.296
  426    HB   VAL  61           HB       VAL  61  -4.224  -3.304 -10.397
  427   1HG1  VAL  61          1HG1      VAL  61  -2.200  -4.150 -11.438
  428   2HG1  VAL  61          2HG1      VAL  61  -2.169  -4.453  -9.701
  429   3HG1  VAL  61          3HG1      VAL  61  -1.212  -3.137 -10.382
  430   1HG2  VAL  61          1HG2      VAL  61  -2.400  -1.575  -8.732
  431   2HG2  VAL  61          2HG2      VAL  61  -3.332  -2.953  -8.147
  432   3HG2  VAL  61          3HG2      VAL  61  -4.162  -1.515  -8.741
  433    H    LYS  62           H        LYS  62  -1.528  -1.928 -13.130
  434    HA   LYS  62           HA       LYS  62  -3.333  -3.427 -14.885
  435   1HB   LYS  62          2HB       LYS  62  -2.423  -2.236 -16.832
  436   2HB   LYS  62          1HB       LYS  62  -3.215  -1.124 -15.723
  437   1HG   LYS  62          2HG       LYS  62  -0.875  -0.692 -14.785
  438   2HG   LYS  62          1HG       LYS  62  -0.286  -1.490 -16.242
  439   1HD   LYS  62          2HD       LYS  62  -1.993   0.986 -16.087
  440   2HD   LYS  62          1HD       LYS  62  -0.308   0.886 -16.601
  441   1HE   LYS  62          2HE       LYS  62  -1.002  -0.520 -18.501
  442   2HE   LYS  62          1HE       LYS  62  -2.685  -0.337 -18.000
  443   1HZ   LYS  62          1HZ       LYS  62  -2.308   2.125 -18.214
  444   2HZ   LYS  62          2HZ       LYS  62  -2.318   1.257 -19.667
  445   3HZ   LYS  62          3HZ       LYS  62  -0.847   1.764 -19.000
  446    HA   PRO  63           HA       PRO  63   0.041  -6.336 -14.695
  447   1HB   PRO  63          2HB       PRO  63  -1.252  -7.379 -17.158
  448   2HB   PRO  63          1HB       PRO  63  -0.869  -8.215 -15.648
  449   1HG   PRO  63          2HG       PRO  63  -3.389  -7.575 -16.256
  450   2HG   PRO  63          1HG       PRO  63  -2.790  -7.463 -14.589
  451   1HD   PRO  63          2HD       PRO  63  -3.237  -5.287 -16.595
  452   2HD   PRO  63          1HD       PRO  63  -3.568  -5.299 -14.851
  453    H    LEU  64           H        LEU  64   2.012  -6.269 -15.566
  454    HA   LEU  64           HA       LEU  64   2.589  -4.271 -17.503
  455   1HB   LEU  64          2HB       LEU  64   4.073  -4.856 -15.605
  456   2HB   LEU  64          1HB       LEU  64   4.404  -6.399 -16.368
  457    HG   LEU  64           HG       LEU  64   5.428  -5.217 -18.282
  458   1HD1  LEU  64          1HD1      LEU  64   4.965  -2.755 -16.608
  459   2HD1  LEU  64          2HD1      LEU  64   4.209  -3.129 -18.158
  460   3HD1  LEU  64          3HD1      LEU  64   5.946  -2.831 -18.071
  461   1HD2  LEU  64          1HD2      LEU  64   6.580  -4.475 -15.596
  462   2HD2  LEU  64          2HD2      LEU  64   7.456  -4.515 -17.126
  463   3HD2  LEU  64          3HD2      LEU  64   6.817  -6.008 -16.435
  464    H    GLY  65           H        GLY  65   2.636  -7.839 -17.575
  465   1HA   GLY  65          2HA       GLY  65   1.638  -8.192 -20.064
  466   2HA   GLY  65          1HA       GLY  65   3.342  -7.885 -20.368
  467    H    ASN  66           H        ASN  66   4.495  -9.145 -18.205
  468    HA   ASN  66           HA       ASN  66   4.354 -11.880 -19.050
  469   1HB   ASN  66          2HB       ASN  66   5.883 -10.753 -16.693
  470   2HB   ASN  66          1HB       ASN  66   6.191 -12.269 -17.532
  471   1HD2  ASN  66          1HD2      ASN  66   7.256 -12.254 -19.483
  472   2HD2  ASN  66          2HD2      ASN  66   8.059 -10.843 -20.095
  473    H    ASN  67           H        ASN  67   4.692 -11.116 -15.678
  474    HA   ASN  67           HA       ASN  67   2.012 -12.066 -15.019
  475   1HB   ASN  67          2HB       ASN  67   2.798 -13.740 -13.458
  476   2HB   ASN  67          1HB       ASN  67   3.512 -14.079 -15.031
  477   1HD2  ASN  67          1HD2      ASN  67   4.387 -14.858 -12.349
  478   2HD2  ASN  67          2HD2      ASN  67   6.002 -14.242 -12.185
  479    H    SER  68           H        SER  68   3.428  -9.534 -14.936
  480    HA   SER  68           HA       SER  68   3.616  -9.032 -12.058
  481   1HB   SER  68          2HB       SER  68   5.543  -8.027 -14.179
  482   2HB   SER  68          1HB       SER  68   5.577  -7.589 -12.471
  483    HG   SER  68           HG       SER  68   5.635 -10.310 -13.105
  484    H    TRP  69           H        TRP  69   3.926  -6.243 -12.127
  485    HA   TRP  69           HA       TRP  69   1.732  -5.373 -13.812
  486   1HB   TRP  69          2HB       TRP  69   1.461  -4.813 -10.873
  487   2HB   TRP  69          1HB       TRP  69   0.257  -4.649 -12.136
  488    HD1  TRP  69           HD       TRP  69   0.192  -7.620 -13.272
  489    HE1  TRP  69           1HE      TRP  69  -0.701  -9.526 -11.778
  490    HE3  TRP  69           3HE      TRP  69   0.766  -5.400  -8.738
  491    HZ2  TRP  69           2HZ      TRP  69  -1.133  -9.995  -9.022
  492    HZ3  TRP  69           3HZ      TRP  69   0.096  -6.617  -6.716
  493    HH2  TRP  69           HH       TRP  69  -0.842  -8.873  -6.853
  494    H    THR  70           H        THR  70   1.327  -3.018 -13.505
  495    HA   THR  70           HA       THR  70   3.453  -1.573 -12.122
  496    HB   THR  70           HB       THR  70   4.180  -1.657 -14.476
  497    HG1  THR  70           1HG      THR  70   4.470   0.285 -13.137
  498   1HG2  THR  70          1HG2      THR  70   1.994  -1.893 -15.543
  499   2HG2  THR  70          2HG2      THR  70   2.894  -0.541 -16.231
  500   3HG2  THR  70          3HG2      THR  70   1.587  -0.240 -15.084
  501    H    LEU  71           H        LEU  71   2.769   0.471 -11.338
  502    HA   LEU  71           HA       LEU  71  -0.134   0.528 -11.058
  503   1HB   LEU  71          2HB       LEU  71   2.009   1.937  -9.470
  504   2HB   LEU  71          1HB       LEU  71   0.289   2.064  -9.161
  505    HG   LEU  71           HG       LEU  71   2.012  -0.395  -8.867
  506   1HD1  LEU  71          1HD1      LEU  71   2.157   1.188  -7.030
  507   2HD1  LEU  71          2HD1      LEU  71   1.299  -0.271  -6.536
  508   3HD1  LEU  71          3HD1      LEU  71   0.398   1.205  -6.891
  509   1HD2  LEU  71          1HD2      LEU  71  -0.123  -1.043  -9.827
  510   2HD2  LEU  71          2HD2      LEU  71  -0.978  -0.136  -8.582
  511   3HD2  LEU  71          3HD2      LEU  71  -0.020  -1.550  -8.143
  512    H    GLU  72           H        GLU  72  -1.038   1.591 -12.627
  513    HA   GLU  72           HA       GLU  72  -0.053   4.190 -13.466
  514   1HB   GLU  72          2HB       GLU  72  -0.903   2.784 -15.213
  515   2HB   GLU  72          1HB       GLU  72  -2.404   2.507 -14.341
  516   1HG   GLU  72          2HG       GLU  72  -3.243   4.586 -14.849
  517   2HG   GLU  72          1HG       GLU  72  -1.648   5.278 -15.136
  518    HA   PRO  73           HA       PRO  73  -2.700   6.224 -10.519
  519   1HB   PRO  73          2HB       PRO  73  -2.056   8.766 -11.151
  520   2HB   PRO  73          1HB       PRO  73  -0.963   7.712 -10.248
  521   1HG   PRO  73          2HG       PRO  73  -0.887   8.513 -13.116
  522   2HG   PRO  73          1HG       PRO  73   0.452   8.222 -11.991
  523   1HD   PRO  73          2HD       PRO  73  -0.464   6.427 -13.909
  524   2HD   PRO  73          1HD       PRO  73   0.521   6.006 -12.497
  525    H    ALA  74           H        ALA  74  -4.797   6.147 -10.927
  526    HA   ALA  74           HA       ALA  74  -6.101   8.062 -12.539
  527   1HB   ALA  74          1HB       ALA  74  -6.108   5.248 -13.637
  528   2HB   ALA  74          2HB       ALA  74  -5.303   6.635 -14.371
  529   3HB   ALA  74          3HB       ALA  74  -7.063   6.602 -14.243
  530    HA   PRO  75           HA       PRO  75  -8.805   6.199  -9.368
  531   1HB   PRO  75          2HB       PRO  75  -9.847   8.499  -8.459
  532   2HB   PRO  75          1HB       PRO  75  -8.225   7.974  -7.988
  533   1HG   PRO  75          2HG       PRO  75  -9.047  10.001 -10.029
  534   2HG   PRO  75          1HG       PRO  75  -7.717  10.067  -8.859
  535   1HD   PRO  75          2HD       PRO  75  -7.425   9.386 -11.515
  536   2HD   PRO  75          1HD       PRO  75  -6.305   8.905 -10.227
  537    H    ALA  76           H        ALA  76  -9.365   6.339 -12.197
  538    HA   ALA  76           HA       ALA  76 -10.982   6.565 -13.775
  539   1HB   ALA  76          1HB       ALA  76 -13.322   6.268 -13.074
  540   2HB   ALA  76          2HB       ALA  76 -12.837   6.467 -11.389
  541   3HB   ALA  76          3HB       ALA  76 -12.256   5.083 -12.316
  542    HA   PRO  77           HA       PRO  77 -11.272  11.058 -12.659
  543   1HB   PRO  77          2HB       PRO  77  -9.314  12.039 -14.198
  544   2HB   PRO  77          1HB       PRO  77  -8.971  11.252 -12.655
  545   1HG   PRO  77          2HG       PRO  77  -8.636  10.227 -15.426
  546   2HG   PRO  77          1HG       PRO  77  -7.657   9.914 -13.983
  547   1HD   PRO  77          2HD       PRO  77  -9.643   8.235 -15.045
  548   2HD   PRO  77          1HD       PRO  77  -8.895   8.101 -13.442
  549    H    LYS  78           H        LYS  78 -13.211  10.152 -14.036
  550    HA   LYS  78           HA       LYS  78 -13.315  11.724 -16.520
  551   1HB   LYS  78          2HB       LYS  78 -14.985   9.920 -17.291
  552   2HB   LYS  78          1HB       LYS  78 -13.272   9.524 -17.335
  553   1HG   LYS  78          2HG       LYS  78 -13.423   8.135 -15.456
  554   2HG   LYS  78          1HG       LYS  78 -14.989   8.801 -14.986
  555   1HD   LYS  78          2HD       LYS  78 -14.781   7.478 -17.637
  556   2HD   LYS  78          1HD       LYS  78 -14.759   6.451 -16.203
  557   1HE   LYS  78          2HE       LYS  78 -17.027   6.712 -17.060
  558   2HE   LYS  78          1HE       LYS  78 -16.868   7.430 -15.460
  559   1HZ   LYS  78          1HZ       LYS  78 -18.131   8.876 -16.864
  560   2HZ   LYS  78          2HZ       LYS  78 -16.925   8.877 -18.057
  561   3HZ   LYS  78          3HZ       LYS  78 -16.636   9.614 -16.556
  562    H    GLU  79           H        GLU  79 -14.034  13.103 -14.520
  563    HA   GLU  79           HA       GLU  79 -16.503  12.703 -13.282
  564   1HB   GLU  79          2HB       GLU  79 -14.983  15.241 -13.879
  565   2HB   GLU  79          1HB       GLU  79 -16.463  15.212 -12.932
  566   1HG   GLU  79          2HG       GLU  79 -14.597  15.267 -11.443
  567   2HG   GLU  79          1HG       GLU  79 -15.359  13.683 -11.330
  568    H    ASP  80           H        ASP  80 -18.366  12.431 -14.262
  569    HA   ASP  80           HA       ASP  80 -19.029  14.171 -16.540
  570   1HB   ASP  80          2HB       ASP  80 -18.610  11.821 -17.239
  571   2HB   ASP  80          1HB       ASP  80 -19.903  11.298 -16.163
  Start of MODEL   14
    1   1H    ALA   1          1HT       ALA   1  -6.975 -18.907  -5.203
    2   2H    ALA   1          2HT       ALA   1  -7.635 -18.973  -6.763
    3   3H    ALA   1          3HT       ALA   1  -8.556 -19.477  -5.432
    4    HA   ALA   1           HA       ALA   1  -7.576 -16.721  -5.884
    5   1HB   ALA   1          1HB       ALA   1 -10.357 -17.836  -6.252
    6   2HB   ALA   1          2HB       ALA   1  -9.253 -17.371  -7.546
    7   3HB   ALA   1          3HB       ALA   1  -9.875 -16.150  -6.437
    8    H    GLN   2           H        GLN   2  -6.830 -17.036  -3.614
    9    HA   GLN   2           HA       GLN   2  -8.966 -16.110  -1.864
   10   1HB   GLN   2          2HB       GLN   2  -8.492 -17.590  -0.073
   11   2HB   GLN   2          1HB       GLN   2  -8.647 -18.601  -1.498
   12   1HG   GLN   2          2HG       GLN   2  -6.027 -17.710  -0.317
   13   2HG   GLN   2          1HG       GLN   2  -6.808 -19.250   0.021
   14   1HE2  GLN   2          1HE2      GLN   2  -4.226 -18.601  -1.193
   15   2HE2  GLN   2          2HE2      GLN   2  -4.208 -19.396  -2.728
   16    H    VAL   3           H        VAL   3  -8.288 -14.594  -0.376
   17    HA   VAL   3           HA       VAL   3  -5.431 -13.930  -0.372
   18    HB   VAL   3           HB       VAL   3  -5.900 -11.552  -0.722
   19   1HG1  VAL   3          1HG1      VAL   3  -7.013 -13.294  -2.913
   20   2HG1  VAL   3          2HG1      VAL   3  -5.316 -12.891  -2.662
   21   3HG1  VAL   3          3HG1      VAL   3  -6.465 -11.629  -3.106
   22   1HG2  VAL   3          1HG2      VAL   3  -8.162 -11.437   0.139
   23   2HG2  VAL   3          2HG2      VAL   3  -8.747 -12.429  -1.196
   24   3HG2  VAL   3          3HG2      VAL   3  -8.114 -10.812  -1.509
   25    H    ASN   4           H        ASN   4  -4.740 -12.699   1.417
   26    HA   ASN   4           HA       ASN   4  -6.729 -12.256   3.533
   27   1HB   ASN   4          2HB       ASN   4  -3.865 -13.159   3.961
   28   2HB   ASN   4          1HB       ASN   4  -5.066 -12.870   5.213
   29   1HD2  ASN   4          1HD2      ASN   4  -3.894 -15.046   2.816
   30   2HD2  ASN   4          2HD2      ASN   4  -4.914 -16.387   3.218
   31    H    ILE   5           H        ILE   5  -6.932 -10.083   3.248
   32    HA   ILE   5           HA       ILE   5  -4.452  -8.484   3.299
   33    HB   ILE   5           HB       ILE   5  -7.041  -7.680   1.949
   34   1HG1  ILE   5          2HG1      ILE   5  -5.972  -9.586   0.774
   35   2HG1  ILE   5          1HG1      ILE   5  -5.959  -8.113  -0.187
   36   1HG2  ILE   5          1HG2      ILE   5  -5.704  -5.887   0.961
   37   2HG2  ILE   5          2HG2      ILE   5  -4.292  -6.445   1.857
   38   3HG2  ILE   5          3HG2      ILE   5  -5.691  -5.806   2.723
   39   1HD1  ILE   5          1HD1      ILE   5  -3.624  -7.751   0.386
   40   2HD1  ILE   5          2HD1      ILE   5  -3.861  -9.329  -0.369
   41   3HD1  ILE   5          3HD1      ILE   5  -3.635  -9.210   1.377
   42    H    ALA   6           H        ALA   6  -4.539  -6.546   4.503
   43    HA   ALA   6           HA       ALA   6  -6.848  -5.818   6.038
   44   1HB   ALA   6          1HB       ALA   6  -6.107  -7.802   7.278
   45   2HB   ALA   6          2HB       ALA   6  -5.882  -6.334   8.231
   46   3HB   ALA   6          3HB       ALA   6  -4.498  -7.096   7.448
   47    HA   PRO   7           HA       PRO   7  -5.048  -1.849   6.167
   48   1HB   PRO   7          2HB       PRO   7  -5.057  -1.896   9.145
   49   2HB   PRO   7          1HB       PRO   7  -5.741  -0.704   8.035
   50   1HG   PRO   7          2HG       PRO   7  -7.315  -2.437   9.302
   51   2HG   PRO   7          1HG       PRO   7  -7.631  -1.975   7.618
   52   1HD   PRO   7          2HD       PRO   7  -6.466  -4.493   8.706
   53   2HD   PRO   7          1HD       PRO   7  -7.521  -4.249   7.301
   54    H    GLY   8           H        GLY   8  -3.024  -1.166   5.892
   55   1HA   GLY   8          2HA       GLY   8  -0.916  -1.074   7.547
   56   2HA   GLY   8          1HA       GLY   8  -0.851  -2.739   6.984
   57    H    SER   9           H        SER   9  -1.638   0.326   5.366
   58    HA   SER   9           HA       SER   9  -0.847   1.339   3.495
   59   1HB   SER   9          2HB       SER   9   1.621  -0.373   3.862
   60   2HB   SER   9          1HB       SER   9   1.493   1.083   2.879
   61    HG   SER   9           HG       SER   9   0.800   1.265   5.585
   62    H    LEU  10           H        LEU  10  -1.476   1.021   1.438
   63    HA   LEU  10           HA       LEU  10  -2.323  -1.488   0.506
   64   1HB   LEU  10          2HB       LEU  10  -3.268   0.627  -0.266
   65   2HB   LEU  10          1HB       LEU  10  -1.728   1.083  -0.968
   66    HG   LEU  10           HG       LEU  10  -1.926  -0.806  -2.557
   67   1HD1  LEU  10          1HD1      LEU  10  -4.683  -1.109  -1.369
   68   2HD1  LEU  10          2HD1      LEU  10  -3.348  -2.250  -1.189
   69   3HD1  LEU  10          3HD1      LEU  10  -4.059  -1.967  -2.778
   70   1HD2  LEU  10          1HD2      LEU  10  -2.663   1.460  -3.156
   71   2HD2  LEU  10          2HD2      LEU  10  -4.283   1.078  -2.572
   72   3HD2  LEU  10          3HD2      LEU  10  -3.620   0.218  -3.962
   73    H    ASP  11           H        ASP  11   0.595   0.401  -0.023
   74    HA   ASP  11           HA       ASP  11   1.961  -1.046  -1.889
   75   1HB   ASP  11          2HB       ASP  11   3.006   0.888  -1.030
   76   2HB   ASP  11          1HB       ASP  11   2.896   0.317   0.631
   77    H    LYS  12           H        LYS  12   1.964  -1.722   1.625
   78    HA   LYS  12           HA       LYS  12   3.496  -4.090   1.385
   79   1HB   LYS  12          2HB       LYS  12   3.367  -2.726   3.439
   80   2HB   LYS  12          1HB       LYS  12   1.682  -3.183   3.624
   81   1HG   LYS  12          2HG       LYS  12   2.297  -5.490   3.961
   82   2HG   LYS  12          1HG       LYS  12   3.990  -5.112   3.645
   83   1HD   LYS  12          2HD       LYS  12   4.059  -3.679   5.610
   84   2HD   LYS  12          1HD       LYS  12   2.349  -3.993   5.915
   85   1HE   LYS  12          2HE       LYS  12   4.453  -6.141   5.823
   86   2HE   LYS  12          1HE       LYS  12   3.960  -5.327   7.307
   87   1HZ   LYS  12          1HZ       LYS  12   1.747  -6.155   7.041
   88   2HZ   LYS  12          2HZ       LYS  12   2.822  -7.459   6.933
   89   3HZ   LYS  12          3HZ       LYS  12   2.112  -6.828   5.526
   90    H    ALA  13           H        ALA  13   0.106  -3.376   1.116
   91    HA   ALA  13           HA       ALA  13  -0.888  -5.998   1.595
   92   1HB   ALA  13          1HB       ALA  13  -2.098  -3.749  -0.018
   93   2HB   ALA  13          2HB       ALA  13  -2.341  -4.036   1.706
   94   3HB   ALA  13          3HB       ALA  13  -2.939  -5.201   0.524
   95    H    LEU  14           H        LEU  14  -0.436  -4.170  -1.452
   96    HA   LEU  14           HA       LEU  14  -0.712  -6.318  -3.204
   97   1HB   LEU  14          2HB       LEU  14   0.960  -3.824  -3.482
   98   2HB   LEU  14          1HB       LEU  14   0.590  -4.919  -4.799
   99    HG   LEU  14           HG       LEU  14  -1.460  -3.343  -3.239
  100   1HD1  LEU  14          1HD1      LEU  14  -0.348  -2.897  -6.006
  101   2HD1  LEU  14          2HD1      LEU  14  -0.031  -1.896  -4.591
  102   3HD1  LEU  14          3HD1      LEU  14  -1.660  -1.986  -5.259
  103   1HD2  LEU  14          1HD2      LEU  14  -1.711  -5.042  -5.722
  104   2HD2  LEU  14          2HD2      LEU  14  -2.990  -4.050  -5.022
  105   3HD2  LEU  14          3HD2      LEU  14  -2.351  -5.429  -4.125
  106    H    ASN  15           H        ASN  15   2.111  -5.114  -1.478
  107    HA   ASN  15           HA       ASN  15   4.073  -6.670  -2.737
  108   1HB   ASN  15          2HB       ASN  15   4.538  -4.753  -1.226
  109   2HB   ASN  15          1HB       ASN  15   4.010  -5.729   0.141
  110   1HD2  ASN  15          1HD2      ASN  15   6.484  -5.209  -2.228
  111   2HD2  ASN  15          2HD2      ASN  15   7.683  -6.210  -1.483
  112    H    GLN  16           H        GLN  16   1.942  -7.338  -0.001
  113    HA   GLN  16           HA       GLN  16   3.006  -9.843   0.702
  114   1HB   GLN  16          2HB       GLN  16   1.410  -8.627   2.125
  115   2HB   GLN  16          1HB       GLN  16   0.145  -8.900   0.932
  116   1HG   GLN  16          2HG       GLN  16   0.554 -11.368   1.251
  117   2HG   GLN  16          1HG       GLN  16   1.547 -10.934   2.641
  118   1HE2  GLN  16          1HE2      GLN  16  -1.305  -9.166   1.711
  119   2HE2  GLN  16          2HE2      GLN  16  -2.290  -9.667   3.044
  120    H    TYR  17           H        TYR  17   0.607  -8.898  -1.745
  121    HA   TYR  17           HA       TYR  17  -0.188 -11.561  -2.390
  122   1HB   TYR  17          2HB       TYR  17  -1.402  -9.311  -2.854
  123   2HB   TYR  17          1HB       TYR  17  -0.333  -9.176  -4.239
  124    HD1  TYR  17           1HD      TYR  17  -0.315 -11.373  -5.790
  125    HD2  TYR  17           2HD      TYR  17  -3.504 -10.248  -3.198
  126    HE1  TYR  17           1HE      TYR  17  -1.872 -12.722  -7.118
  127    HE2  TYR  17           2HE      TYR  17  -5.065 -11.598  -4.525
  128    HH   TYR  17           HH       TYR  17  -4.018 -13.830  -6.886
  129    H    ALA  18           H        ALA  18   2.105  -9.200  -3.682
  130    HA   ALA  18           HA       ALA  18   3.189 -10.608  -5.784
  131   1HB   ALA  18          1HB       ALA  18   5.156  -9.231  -5.543
  132   2HB   ALA  18          2HB       ALA  18   4.708  -8.831  -3.885
  133   3HB   ALA  18          3HB       ALA  18   3.713  -8.266  -5.226
  134    H    ALA  19           H        ALA  19   4.189 -10.707  -2.381
  135    HA   ALA  19           HA       ALA  19   6.328 -12.492  -2.708
  136   1HB   ALA  19          1HB       ALA  19   4.589 -12.122  -0.272
  137   2HB   ALA  19          2HB       ALA  19   5.973 -11.117  -0.704
  138   3HB   ALA  19          3HB       ALA  19   6.207 -12.821  -0.311
  139    H    HIS  20           H        HIS  20   2.919 -13.028  -2.655
  140    HA   HIS  20           HA       HIS  20   2.885 -15.697  -1.742
  141   1HB   HIS  20          2HB       HIS  20   0.873 -14.278  -1.805
  142   2HB   HIS  20          1HB       HIS  20   0.914 -14.294  -3.563
  143    HD1  HIS  20           1HD      HIS  20   0.253 -16.560  -0.610
  144    HD2  HIS  20           2HD      HIS  20  -0.265 -16.499  -4.747
  145    HE1  HIS  20           1HE      HIS  20  -1.196 -18.545  -1.148
  146    HE2  HIS  20           2HE      HIS  20  -1.536 -18.471  -3.641
  147    H    SER  21           H        SER  21   2.934 -14.382  -5.083
  148    HA   SER  21           HA       SER  21   3.395 -17.135  -5.996
  149   1HB   SER  21          2HB       SER  21   2.446 -14.776  -7.631
  150   2HB   SER  21          1HB       SER  21   2.515 -16.463  -8.145
  151    HG   SER  21           HG       SER  21   0.528 -16.472  -7.446
  152    H    GLY  22           H        GLY  22   4.960 -14.204  -5.535
  153   1HA   GLY  22          2HA       GLY  22   7.179 -13.672  -5.856
  154   2HA   GLY  22          1HA       GLY  22   7.394 -15.225  -6.646
  155    H    PHE  23           H        PHE  23   5.606 -12.202  -7.351
  156    HA   PHE  23           HA       PHE  23   6.842 -12.265 -10.023
  157   1HB   PHE  23          2HB       PHE  23   4.775 -10.897 -10.710
  158   2HB   PHE  23          1HB       PHE  23   4.582 -12.625 -10.478
  159    HD1  PHE  23           1HD      PHE  23   3.120 -13.480  -8.867
  160    HD2  PHE  23           2HD      PHE  23   3.997  -9.327  -8.975
  161    HE1  PHE  23           1HE      PHE  23   1.306 -13.059  -7.270
  162    HE2  PHE  23           2HE      PHE  23   2.182  -8.896  -7.370
  163    HZ   PHE  23           HZ       PHE  23   0.769 -10.768  -6.604
  164    H    THR  24           H        THR  24   6.748  -9.987 -11.073
  165    HA   THR  24           HA       THR  24   8.318  -8.350  -9.249
  166    HB   THR  24           HB       THR  24   7.944  -7.957 -12.220
  167    HG1  THR  24           1HG      THR  24   9.360  -9.866 -10.807
  168   1HG2  THR  24          1HG2      THR  24  10.144  -7.105 -10.330
  169   2HG2  THR  24          2HG2      THR  24   8.901  -6.051 -11.001
  170   3HG2  THR  24          3HG2      THR  24  10.093  -6.796 -12.066
  171    H    LEU  25           H        LEU  25   7.405  -6.729  -8.209
  172    HA   LEU  25           HA       LEU  25   5.161  -5.274  -9.408
  173   1HB   LEU  25          2HB       LEU  25   6.044  -5.856  -6.694
  174   2HB   LEU  25          1HB       LEU  25   5.627  -4.168  -6.926
  175    HG   LEU  25           HG       LEU  25   3.751  -5.645  -6.131
  176   1HD1  LEU  25          1HD1      LEU  25   2.097  -4.652  -7.639
  177   2HD1  LEU  25          2HD1      LEU  25   3.391  -4.215  -8.756
  178   3HD1  LEU  25          3HD1      LEU  25   3.324  -3.482  -7.153
  179   1HD2  LEU  25          1HD2      LEU  25   2.638  -6.986  -7.885
  180   2HD2  LEU  25          2HD2      LEU  25   4.210  -7.620  -7.398
  181   3HD2  LEU  25          3HD2      LEU  25   4.047  -6.735  -8.916
  182    H    SER  26           H        SER  26   5.292  -3.169 -10.002
  183    HA   SER  26           HA       SER  26   7.829  -1.764  -9.499
  184   1HB   SER  26          2HB       SER  26   6.177  -1.655 -12.038
  185   2HB   SER  26          1HB       SER  26   7.654  -0.738 -11.729
  186    HG   SER  26           HG       SER  26   7.864  -3.454 -11.319
  187    H    VAL  27           H        VAL  27   7.245  -0.418  -7.915
  188    HA   VAL  27           HA       VAL  27   5.188   1.574  -8.498
  189    HB   VAL  27           HB       VAL  27   3.941  -0.087  -7.264
  190   1HG1  VAL  27          1HG1      VAL  27   4.566  -0.796  -5.005
  191   2HG1  VAL  27          2HG1      VAL  27   6.063   0.128  -5.131
  192   3HG1  VAL  27          3HG1      VAL  27   5.790  -1.255  -6.191
  193   1HG2  VAL  27          1HG2      VAL  27   3.206   1.236  -5.337
  194   2HG2  VAL  27          2HG2      VAL  27   3.432   2.242  -6.766
  195   3HG2  VAL  27          3HG2      VAL  27   4.643   2.248  -5.484
  196    H    ASP  28           H        ASP  28   5.725   3.559  -7.788
  197    HA   ASP  28           HA       ASP  28   8.194   3.829  -6.238
  198   1HB   ASP  28          2HB       ASP  28   7.993   5.020  -8.433
  199   2HB   ASP  28          1HB       ASP  28   6.670   5.963  -7.752
  200    H    ALA  29           H        ALA  29   8.202   4.599  -4.226
  201    HA   ALA  29           HA       ALA  29   5.957   4.354  -2.637
  202   1HB   ALA  29          1HB       ALA  29   7.291   5.245  -0.828
  203   2HB   ALA  29          2HB       ALA  29   8.447   5.909  -1.982
  204   3HB   ALA  29          3HB       ALA  29   8.260   4.162  -1.829
  205    H    SER  30           H        SER  30   6.915   7.170  -4.417
  206    HA   SER  30           HA       SER  30   5.837   9.138  -2.685
  207   1HB   SER  30          2HB       SER  30   6.008  10.649  -4.628
  208   2HB   SER  30          1HB       SER  30   7.480   9.696  -4.432
  209    HG   SER  30           HG       SER  30   7.066   8.632  -6.235
  210    H    LEU  31           H        LEU  31   4.482   7.032  -5.052
  211    HA   LEU  31           HA       LEU  31   2.070   8.507  -5.504
  212   1HB   LEU  31          2HB       LEU  31   2.809   5.636  -6.067
  213   2HB   LEU  31          1HB       LEU  31   1.349   6.412  -6.633
  214    HG   LEU  31           HG       LEU  31   4.151   7.248  -7.388
  215   1HD1  LEU  31          1HD1      LEU  31   3.645   6.295  -9.569
  216   2HD1  LEU  31          2HD1      LEU  31   2.073   5.755  -8.981
  217   3HD1  LEU  31          3HD1      LEU  31   3.549   5.063  -8.312
  218   1HD2  LEU  31          1HD2      LEU  31   2.568   9.100  -7.421
  219   2HD2  LEU  31          2HD2      LEU  31   1.462   8.151  -8.413
  220   3HD2  LEU  31          3HD2      LEU  31   3.028   8.641  -9.062
  221    H    THR  32           H        THR  32   2.940   5.657  -3.610
  222    HA   THR  32           HA       THR  32   0.261   5.606  -2.420
  223    HB   THR  32           HB       THR  32   0.896   3.483  -3.323
  224    HG1  THR  32           1HG      THR  32   1.281   3.437  -0.498
  225   1HG2  THR  32          1HG2      THR  32   3.287   3.772  -3.492
  226   2HG2  THR  32          2HG2      THR  32   2.944   2.288  -2.599
  227   3HG2  THR  32          3HG2      THR  32   3.452   3.743  -1.738
  228    H    ARG  33           H        ARG  33   1.918   7.692  -1.647
  229    HA   ARG  33           HA       ARG  33   3.398   7.248   0.687
  230   1HB   ARG  33          2HB       ARG  33   3.105   9.689   1.028
  231   2HB   ARG  33          1HB       ARG  33   3.650   9.285  -0.587
  232   1HG   ARG  33          2HG       ARG  33   1.427   9.616  -1.463
  233   2HG   ARG  33          1HG       ARG  33   0.797   9.900   0.160
  234   1HD   ARG  33          2HD       ARG  33   1.063  12.023  -0.835
  235   2HD   ARG  33          1HD       ARG  33   2.392  11.843   0.310
  236    HE   ARG  33           HE       ARG  33   3.451  10.987  -2.041
  237   1HH1  ARG  33          1HH1      ARG  33   1.811  13.898  -1.009
  238   2HH1  ARG  33          2HH1      ARG  33   2.598  14.918  -2.175
  239   1HH2  ARG  33          1HH2      ARG  33   4.517  12.316  -3.568
  240   2HH2  ARG  33          2HH2      ARG  33   4.148  14.011  -3.641
  241    H    GLY  34           H        GLY  34   2.526   6.219   2.393
  242   1HA   GLY  34          2HA       GLY  34   1.203   5.850   4.231
  243   2HA   GLY  34          1HA       GLY  34   0.627   7.499   4.038
  244    H    LYS  35           H        LYS  35   0.236   5.365   1.372
  245    HA   LYS  35           HA       LYS  35  -2.600   5.729   1.437
  246   1HB   LYS  35          2HB       LYS  35  -0.805   5.305  -0.554
  247   2HB   LYS  35          1HB       LYS  35  -1.448   3.680  -0.365
  248   1HG   LYS  35          2HG       LYS  35  -2.753   4.686  -2.031
  249   2HG   LYS  35          1HG       LYS  35  -3.748   4.718  -0.572
  250   1HD   LYS  35          2HD       LYS  35  -2.715   7.066  -0.221
  251   2HD   LYS  35          1HD       LYS  35  -2.303   6.961  -1.930
  252   1HE   LYS  35          2HE       LYS  35  -4.424   8.111  -1.627
  253   2HE   LYS  35          1HE       LYS  35  -4.651   6.585  -2.480
  254   1HZ   LYS  35          1HZ       LYS  35  -5.422   5.570  -0.449
  255   2HZ   LYS  35          2HZ       LYS  35  -6.337   6.961  -0.761
  256   3HZ   LYS  35          3HZ       LYS  35  -5.125   6.992   0.427
  257    H    GLN  36           H        GLN  36  -3.915   4.540   2.742
  258    HA   GLN  36           HA       GLN  36  -3.004   1.865   3.525
  259   1HB   GLN  36          2HB       GLN  36  -4.537   2.108   5.423
  260   2HB   GLN  36          1HB       GLN  36  -3.372   3.424   5.375
  261   1HG   GLN  36          2HG       GLN  36  -5.087   4.856   4.321
  262   2HG   GLN  36          1HG       GLN  36  -6.247   3.538   4.483
  263   1HE2  GLN  36          1HE2      GLN  36  -7.600   4.751   5.809
  264   2HE2  GLN  36          2HE2      GLN  36  -7.192   5.118   7.455
  265    H    SER  37           H        SER  37  -4.557   0.138   3.588
  266    HA   SER  37           HA       SER  37  -7.046   0.652   2.146
  267   1HB   SER  37          2HB       SER  37  -5.494  -0.585   0.660
  268   2HB   SER  37          1HB       SER  37  -5.275  -1.804   1.913
  269    HG   SER  37           HG       SER  37  -7.697  -1.167   0.556
  270    H    ASN  38           H        ASN  38  -8.773  -0.043   3.249
  271    HA   ASN  38           HA       ASN  38  -8.493  -0.657   5.968
  272   1HB   ASN  38          2HB       ASN  38 -10.977  -1.002   4.287
  273   2HB   ASN  38          1HB       ASN  38 -10.905  -0.808   6.036
  274   1HD2  ASN  38          1HD2      ASN  38  -8.689   1.220   5.703
  275   2HD2  ASN  38          2HD2      ASN  38  -9.528   2.663   5.231
  276    H    GLY  39           H        GLY  39  -8.539  -2.715   3.261
  277   1HA   GLY  39          2HA       GLY  39  -7.384  -4.862   3.884
  278   2HA   GLY  39          1HA       GLY  39  -8.653  -5.038   5.089
  279    H    LEU  40           H        LEU  40  -8.460  -7.150   3.504
  280    HA   LEU  40           HA       LEU  40 -10.849  -7.150   1.973
  281   1HB   LEU  40          2HB       LEU  40  -9.206  -6.104   0.373
  282   2HB   LEU  40          1HB       LEU  40  -8.274  -7.587   0.450
  283    HG   LEU  40           HG       LEU  40 -10.241  -8.821  -0.448
  284   1HD1  LEU  40          1HD1      LEU  40 -12.072  -7.565  -1.441
  285   2HD1  LEU  40          2HD1      LEU  40 -11.379  -6.057  -0.844
  286   3HD1  LEU  40          3HD1      LEU  40 -11.974  -7.264   0.295
  287   1HD2  LEU  40          1HD2      LEU  40 -10.010  -7.992  -2.747
  288   2HD2  LEU  40          2HD2      LEU  40  -8.449  -8.113  -1.932
  289   3HD2  LEU  40          3HD2      LEU  40  -9.218  -6.538  -2.137
  290    H    HIS  41           H        HIS  41 -11.671  -9.154   2.426
  291    HA   HIS  41           HA       HIS  41  -9.809 -11.411   2.402
  292   1HB   HIS  41          2HB       HIS  41  -9.975 -10.579   4.771
  293   2HB   HIS  41          1HB       HIS  41 -11.692 -10.963   4.726
  294    HD1  HIS  41           1HD      HIS  41 -12.159 -13.113   5.841
  295    HD2  HIS  41           2HD      HIS  41  -8.449 -13.124   3.953
  296    HE1  HIS  41           1HE      HIS  41 -11.189 -15.402   6.255
  297    HE2  HIS  41           2HE      HIS  41  -9.020 -15.434   4.971
  298    H    GLY  42           H        GLY  42 -10.716 -12.348   0.686
  299   1HA   GLY  42          2HA       GLY  42 -13.121 -13.840   1.098
  300   2HA   GLY  42          1HA       GLY  42 -13.354 -12.537  -0.059
  301    H    ASP  43           H        ASP  43 -13.844 -14.571  -1.343
  302    HA   ASP  43           HA       ASP  43 -11.576 -15.989  -2.402
  303   1HB   ASP  43          2HB       ASP  43 -14.464 -15.813  -3.295
  304   2HB   ASP  43          1HB       ASP  43 -13.258 -16.813  -4.093
  305    H    TYR  44           H        TYR  44 -10.206 -14.330  -3.111
  306    HA   TYR  44           HA       TYR  44 -11.189 -12.806  -5.425
  307   1HB   TYR  44          2HB       TYR  44  -9.347 -11.957  -3.202
  308   2HB   TYR  44          1HB       TYR  44  -9.390 -11.103  -4.743
  309    HD1  TYR  44           1HD      TYR  44 -11.011 -11.613  -1.565
  310    HD2  TYR  44           2HD      TYR  44 -11.543 -10.050  -5.479
  311    HE1  TYR  44           1HE      TYR  44 -12.924 -10.295  -0.768
  312    HE2  TYR  44           2HE      TYR  44 -13.459  -8.724  -4.700
  313    HH   TYR  44           HH       TYR  44 -14.122  -8.196  -1.449
  314    H    ASP  45           H        ASP  45 -10.295 -13.330  -7.243
  315    HA   ASP  45           HA       ASP  45  -7.741 -14.675  -7.368
  316   1HB   ASP  45          2HB       ASP  45  -9.790 -15.102  -8.876
  317   2HB   ASP  45          1HB       ASP  45  -9.334 -13.620  -9.707
  318    H    VAL  46           H        VAL  46  -6.462 -13.617  -9.521
  319    HA   VAL  46           HA       VAL  46  -4.998 -11.523  -8.451
  320    HB   VAL  46           HB       VAL  46  -5.341 -12.123 -11.395
  321   1HG1  VAL  46          1HG1      VAL  46  -3.082 -10.777  -9.909
  322   2HG1  VAL  46          2HG1      VAL  46  -4.249  -9.974 -10.960
  323   3HG1  VAL  46          3HG1      VAL  46  -3.113 -11.142 -11.633
  324   1HG2  VAL  46          1HG2      VAL  46  -3.382 -13.254  -9.401
  325   2HG2  VAL  46          2HG2      VAL  46  -3.382 -13.567 -11.138
  326   3HG2  VAL  46          3HG2      VAL  46  -4.727 -14.122 -10.140
  327    H    GLU  47           H        GLU  47  -7.142 -11.162 -11.285
  328    HA   GLU  47           HA       GLU  47  -7.074  -8.417 -11.411
  329   1HB   GLU  47          2HB       GLU  47  -9.143  -8.639 -12.769
  330   2HB   GLU  47          1HB       GLU  47  -7.868  -9.754 -13.230
  331   1HG   GLU  47          2HG       GLU  47  -9.014 -11.504 -11.863
  332   2HG   GLU  47          1HG       GLU  47 -10.353 -10.373 -11.665
  333    H    SER  48           H        SER  48  -9.291 -10.444  -9.557
  334    HA   SER  48           HA       SER  48 -11.128  -8.347  -8.978
  335   1HB   SER  48          2HB       SER  48 -10.763 -11.033  -7.637
  336   2HB   SER  48          1HB       SER  48 -12.183  -9.994  -7.526
  337    HG   SER  48           HG       SER  48 -12.352 -10.215  -9.852
  338    H    GLY  49           H        GLY  49  -8.239  -9.596  -7.487
  339   1HA   GLY  49          2HA       GLY  49  -8.781  -8.619  -4.851
  340   2HA   GLY  49          1HA       GLY  49  -7.234  -9.201  -5.451
  341    H    LEU  50           H        LEU  50  -6.694  -7.495  -7.506
  342    HA   LEU  50           HA       LEU  50  -5.690  -5.264  -6.117
  343   1HB   LEU  50          2HB       LEU  50  -5.825  -5.992  -9.030
  344   2HB   LEU  50          1HB       LEU  50  -5.140  -4.472  -8.494
  345    HG   LEU  50           HG       LEU  50  -3.528  -5.802  -7.097
  346   1HD1  LEU  50          1HD1      LEU  50  -4.587  -8.095  -8.720
  347   2HD1  LEU  50          2HD1      LEU  50  -4.707  -7.901  -6.972
  348   3HD1  LEU  50          3HD1      LEU  50  -3.130  -8.126  -7.727
  349   1HD2  LEU  50          1HD2      LEU  50  -2.085  -6.346  -8.995
  350   2HD2  LEU  50          2HD2      LEU  50  -2.882  -4.787  -9.201
  351   3HD2  LEU  50          3HD2      LEU  50  -3.470  -6.199 -10.079
  352    H    GLN  51           H        GLN  51  -8.438  -5.688  -8.310
  353    HA   GLN  51           HA       GLN  51  -9.148  -3.070  -8.746
  354   1HB   GLN  51          2HB       GLN  51 -10.271  -4.864  -9.886
  355   2HB   GLN  51          1HB       GLN  51 -10.906  -5.494  -8.373
  356   1HG   GLN  51          2HG       GLN  51 -12.288  -3.516  -8.106
  357   2HG   GLN  51          1HG       GLN  51 -11.626  -2.838  -9.590
  358   1HE2  GLN  51          1HE2      GLN  51 -13.652  -2.697 -10.521
  359   2HE2  GLN  51          2HE2      GLN  51 -14.502  -4.096 -11.102
  360    H    GLN  52           H        GLN  52 -10.278  -5.132  -6.047
  361    HA   GLN  52           HA       GLN  52 -11.851  -3.110  -4.861
  362   1HB   GLN  52          2HB       GLN  52 -10.588  -5.523  -3.546
  363   2HB   GLN  52          1HB       GLN  52 -11.903  -4.560  -2.884
  364   1HG   GLN  52          2HG       GLN  52 -11.987  -6.231  -5.385
  365   2HG   GLN  52          1HG       GLN  52 -12.758  -6.601  -3.844
  366   1HE2  GLN  52          1HE2      GLN  52 -14.602  -5.464  -3.227
  367   2HE2  GLN  52          2HE2      GLN  52 -15.520  -4.532  -4.363
  368    H    LEU  53           H        LEU  53  -8.525  -4.141  -4.316
  369    HA   LEU  53           HA       LEU  53  -7.953  -2.587  -2.066
  370   1HB   LEU  53          2HB       LEU  53  -6.140  -3.534  -4.277
  371   2HB   LEU  53          1HB       LEU  53  -5.578  -2.826  -2.774
  372    HG   LEU  53           HG       LEU  53  -7.138  -5.399  -3.039
  373   1HD1  LEU  53          1HD1      LEU  53  -4.256  -4.893  -2.312
  374   2HD1  LEU  53          2HD1      LEU  53  -4.840  -5.611  -3.813
  375   3HD1  LEU  53          3HD1      LEU  53  -5.068  -6.458  -2.282
  376   1HD2  LEU  53          1HD2      LEU  53  -5.974  -4.055  -0.600
  377   2HD2  LEU  53          2HD2      LEU  53  -6.710  -5.659  -0.639
  378   3HD2  LEU  53          3HD2      LEU  53  -7.688  -4.229  -0.975
  379    H    LEU  54           H        LEU  54  -8.376  -1.610  -5.340
  380    HA   LEU  54           HA       LEU  54  -6.709   0.715  -5.217
  381   1HB   LEU  54          2HB       LEU  54  -8.840  -0.165  -7.151
  382   2HB   LEU  54          1HB       LEU  54  -7.984   1.356  -7.319
  383    HG   LEU  54           HG       LEU  54  -6.726  -1.387  -7.366
  384   1HD1  LEU  54          1HD1      LEU  54  -7.228   0.619  -9.557
  385   2HD1  LEU  54          2HD1      LEU  54  -8.009  -0.951  -9.368
  386   3HD1  LEU  54          3HD1      LEU  54  -6.283  -0.860  -9.725
  387   1HD2  LEU  54          1HD2      LEU  54  -5.232   0.274  -6.394
  388   2HD2  LEU  54          2HD2      LEU  54  -5.508   1.346  -7.768
  389   3HD2  LEU  54          3HD2      LEU  54  -4.682  -0.196  -8.001
  390    H    ASP  55           H        ASP  55  -9.766   0.027  -3.947
  391    HA   ASP  55           HA       ASP  55 -10.943   2.607  -4.357
  392   1HB   ASP  55          2HB       ASP  55 -12.279   0.519  -3.919
  393   2HB   ASP  55          1HB       ASP  55 -11.722   0.590  -2.248
  394    H    GLY  56           H        GLY  56 -10.821   4.388  -3.146
  395   1HA   GLY  56          2HA       GLY  56 -10.384   5.589  -1.125
  396   2HA   GLY  56          1HA       GLY  56  -9.388   4.243  -0.581
  397    H    SER  57           H        SER  57  -8.305   4.224  -3.455
  398    HA   SER  57           HA       SER  57  -6.253   6.265  -2.989
  399   1HB   SER  57          2HB       SER  57  -6.137   4.033  -5.020
  400   2HB   SER  57          1HB       SER  57  -4.800   4.963  -4.341
  401    HG   SER  57           HG       SER  57  -5.734   2.675  -3.514
  402    H    GLY  58           H        GLY  58  -5.486   7.506  -4.834
  403   1HA   GLY  58          2HA       GLY  58  -7.501   7.782  -6.955
  404   2HA   GLY  58          1HA       GLY  58  -6.350   9.034  -6.482
  405    H    LEU  59           H        LEU  59  -5.695   5.622  -6.846
  406    HA   LEU  59           HA       LEU  59  -3.965   6.210  -9.158
  407   1HB   LEU  59          2HB       LEU  59  -3.365   4.326  -6.870
  408   2HB   LEU  59          1HB       LEU  59  -2.332   4.632  -8.252
  409    HG   LEU  59           HG       LEU  59  -3.081   6.741  -6.228
  410   1HD1  LEU  59          1HD1      LEU  59  -0.817   6.433  -5.336
  411   2HD1  LEU  59          2HD1      LEU  59  -0.595   5.046  -6.404
  412   3HD1  LEU  59          3HD1      LEU  59  -1.813   4.991  -5.128
  413   1HD2  LEU  59          1HD2      LEU  59  -1.201   7.961  -7.208
  414   2HD2  LEU  59          2HD2      LEU  59  -2.442   7.613  -8.413
  415   3HD2  LEU  59          3HD2      LEU  59  -0.960   6.658  -8.372
  416    H    GLN  60           H        GLN  60  -3.279   3.899 -10.127
  417    HA   GLN  60           HA       GLN  60  -5.424   1.984  -9.966
  418   1HB   GLN  60          2HB       GLN  60  -4.863   3.554 -12.483
  419   2HB   GLN  60          1HB       GLN  60  -5.592   1.956 -12.532
  420   1HG   GLN  60          2HG       GLN  60  -7.426   2.797 -11.110
  421   2HG   GLN  60          1HG       GLN  60  -6.711   4.404 -11.189
  422   1HE2  GLN  60          1HE2      GLN  60  -6.689   2.202 -13.898
  423   2HE2  GLN  60          2HE2      GLN  60  -7.824   3.077 -14.870
  424    H    VAL  61           H        VAL  61  -4.418   0.098  -9.831
  425    HA   VAL  61           HA       VAL  61  -1.689  -0.135 -10.790
  426    HB   VAL  61           HB       VAL  61  -2.184  -1.030  -8.572
  427   1HG1  VAL  61          1HG1      VAL  61  -4.027  -2.967  -9.966
  428   2HG1  VAL  61          2HG1      VAL  61  -4.519  -1.651  -8.899
  429   3HG1  VAL  61          3HG1      VAL  61  -3.584  -3.003  -8.260
  430   1HG2  VAL  61          1HG2      VAL  61  -1.513  -3.168 -10.589
  431   2HG2  VAL  61          2HG2      VAL  61  -1.217  -3.277  -8.855
  432   3HG2  VAL  61          3HG2      VAL  61  -0.383  -2.057  -9.815
  433    H    LYS  62           H        LYS  62  -1.075  -1.212 -12.573
  434    HA   LYS  62           HA       LYS  62  -3.140  -2.653 -14.076
  435   1HB   LYS  62          2HB       LYS  62  -2.785  -0.249 -14.808
  436   2HB   LYS  62          1HB       LYS  62  -1.152  -0.714 -15.264
  437   1HG   LYS  62          2HG       LYS  62  -1.960  -2.203 -16.930
  438   2HG   LYS  62          1HG       LYS  62  -3.618  -2.015 -16.355
  439   1HD   LYS  62          2HD       LYS  62  -3.331  -0.685 -18.341
  440   2HD   LYS  62          1HD       LYS  62  -3.503   0.392 -16.955
  441   1HE   LYS  62          2HE       LYS  62  -1.743   1.293 -18.230
  442   2HE   LYS  62          1HE       LYS  62  -0.959   0.457 -16.889
  443   1HZ   LYS  62          1HZ       LYS  62  -1.123  -0.344 -19.721
  444   2HZ   LYS  62          2HZ       LYS  62  -0.827  -1.499 -18.523
  445   3HZ   LYS  62          3HZ       LYS  62   0.248  -0.204 -18.738
  446    HA   PRO  63           HA       PRO  63   0.032  -5.801 -14.251
  447   1HB   PRO  63          2HB       PRO  63  -1.359  -6.443 -16.812
  448   2HB   PRO  63          1HB       PRO  63  -0.941  -7.507 -15.464
  449   1HG   PRO  63          2HG       PRO  63  -3.454  -6.708 -15.829
  450   2HG   PRO  63          1HG       PRO  63  -2.768  -6.841 -14.198
  451   1HD   PRO  63          2HD       PRO  63  -3.281  -4.404 -15.849
  452   2HD   PRO  63          1HD       PRO  63  -3.440  -4.633 -14.094
  453    H    LEU  64           H        LEU  64   2.017  -5.561 -14.996
  454    HA   LEU  64           HA       LEU  64   2.615  -3.497 -16.888
  455   1HB   LEU  64          2HB       LEU  64   3.889  -4.514 -14.729
  456   2HB   LEU  64          1HB       LEU  64   4.747  -5.353 -16.007
  457    HG   LEU  64           HG       LEU  64   4.518  -2.361 -15.666
  458   1HD1  LEU  64          1HD1      LEU  64   6.859  -4.235 -15.364
  459   2HD1  LEU  64          2HD1      LEU  64   6.019  -3.389 -14.065
  460   3HD1  LEU  64          3HD1      LEU  64   6.932  -2.475 -15.266
  461   1HD2  LEU  64          1HD2      LEU  64   4.557  -2.952 -18.029
  462   2HD2  LEU  64          2HD2      LEU  64   5.996  -3.939 -17.766
  463   3HD2  LEU  64          3HD2      LEU  64   6.071  -2.192 -17.537
  464    H    GLY  65           H        GLY  65   3.645  -6.926 -16.778
  465   1HA   GLY  65          2HA       GLY  65   2.907  -7.245 -19.565
  466   2HA   GLY  65          1HA       GLY  65   4.630  -7.334 -19.224
  467    H    ASN  66           H        ASN  66   5.457  -9.218 -18.594
  468    HA   ASN  66           HA       ASN  66   3.713 -11.510 -18.433
  469   1HB   ASN  66          2HB       ASN  66   5.833 -11.709 -19.628
  470   2HB   ASN  66          1HB       ASN  66   6.720 -11.276 -18.170
  471   1HD2  ASN  66          1HD2      ASN  66   6.942 -12.782 -16.523
  472   2HD2  ASN  66          2HD2      ASN  66   6.597 -14.466 -16.746
  473    H    ASN  67           H        ASN  67   2.546 -11.294 -16.553
  474    HA   ASN  67           HA       ASN  67   2.063 -11.682 -14.366
  475   1HB   ASN  67          2HB       ASN  67   3.407 -13.748 -14.909
  476   2HB   ASN  67          1HB       ASN  67   4.817 -12.940 -14.239
  477   1HD2  ASN  67          1HD2      ASN  67   1.560 -12.686 -12.955
  478   2HD2  ASN  67          2HD2      ASN  67   1.886 -13.519 -11.478
  479    H    SER  68           H        SER  68   3.145  -9.139 -14.997
  480    HA   SER  68           HA       SER  68   4.336  -8.473 -12.400
  481   1HB   SER  68          2HB       SER  68   5.686  -6.723 -13.673
  482   2HB   SER  68          1HB       SER  68   6.195  -8.392 -13.921
  483    HG   SER  68           HG       SER  68   5.952  -7.961 -15.957
  484    H    TRP  69           H        TRP  69   4.206  -5.922 -12.194
  485    HA   TRP  69           HA       TRP  69   1.680  -4.988 -13.280
  486   1HB   TRP  69          2HB       TRP  69   2.120  -4.976 -10.292
  487   2HB   TRP  69          1HB       TRP  69   0.708  -4.401 -11.153
  488    HD1  TRP  69           HD       TRP  69   0.631  -7.362 -12.905
  489    HE1  TRP  69           1HE      TRP  69  -0.456  -9.328 -11.626
  490    HE3  TRP  69           3HE      TRP  69   0.951  -5.508  -8.220
  491    HZ2  TRP  69           2HZ      TRP  69  -1.142  -9.959  -8.947
  492    HZ3  TRP  69           3HZ      TRP  69   0.073  -6.803  -6.331
  493    HH2  TRP  69           HH       TRP  69  -0.963  -8.995  -6.687
  494    H    THR  70           H        THR  70   1.451  -2.706 -13.061
  495    HA   THR  70           HA       THR  70   3.692  -1.271 -11.837
  496    HB   THR  70           HB       THR  70   4.232  -1.343 -14.232
  497    HG1  THR  70           1HG      THR  70   3.283   1.269 -14.073
  498   1HG2  THR  70          1HG2      THR  70   1.969  -1.700 -15.113
  499   2HG2  THR  70          2HG2      THR  70   2.768  -0.347 -15.910
  500   3HG2  THR  70          3HG2      THR  70   1.537  -0.046 -14.681
  501    H    LEU  71           H        LEU  71   3.055   0.615 -10.796
  502    HA   LEU  71           HA       LEU  71   0.156   0.933 -10.613
  503   1HB   LEU  71          2HB       LEU  71   1.673   0.704  -8.577
  504   2HB   LEU  71          1HB       LEU  71   2.237   2.323  -8.935
  505    HG   LEU  71           HG       LEU  71  -0.682   1.739  -8.475
  506   1HD1  LEU  71          1HD1      LEU  71  -0.373   2.397  -6.155
  507   2HD1  LEU  71          2HD1      LEU  71   1.367   2.531  -6.409
  508   3HD1  LEU  71          3HD1      LEU  71   0.577   0.958  -6.520
  509   1HD2  LEU  71          1HD2      LEU  71  -0.726   4.117  -7.864
  510   2HD2  LEU  71          2HD2      LEU  71  -0.160   3.873  -9.517
  511   3HD2  LEU  71          3HD2      LEU  71   0.993   4.236  -8.234
  512    H    GLU  72           H        GLU  72  -0.502   2.066 -12.254
  513    HA   GLU  72           HA       GLU  72   0.820   4.499 -13.092
  514   1HB   GLU  72          2HB       GLU  72  -1.762   3.267 -14.072
  515   2HB   GLU  72          1HB       GLU  72  -0.886   4.580 -14.845
  516   1HG   GLU  72          2HG       GLU  72   0.073   1.751 -14.494
  517   2HG   GLU  72          1HG       GLU  72  -0.470   2.501 -15.994
  518    HA   PRO  73           HA       PRO  73  -1.707   7.145 -10.538
  519   1HB   PRO  73          2HB       PRO  73  -0.699   9.355 -12.150
  520   2HB   PRO  73          1HB       PRO  73  -0.384   8.982 -10.456
  521   1HG   PRO  73          2HG       PRO  73   1.513   8.755 -12.383
  522   2HG   PRO  73          1HG       PRO  73   1.480   7.729 -10.938
  523   1HD   PRO  73          2HD       PRO  73   0.567   7.111 -13.723
  524   2HD   PRO  73          1HD       PRO  73   1.453   6.087 -12.572
  525    H    ALA  74           H        ALA  74  -3.816   7.182 -10.938
  526    HA   ALA  74           HA       ALA  74  -4.965   8.804 -12.969
  527   1HB   ALA  74          1HB       ALA  74  -4.359   6.882 -14.376
  528   2HB   ALA  74          2HB       ALA  74  -6.109   7.057 -14.241
  529   3HB   ALA  74          3HB       ALA  74  -5.275   5.816 -13.308
  530    HA   PRO  75           HA       PRO  75  -7.592   8.086  -9.334
  531   1HB   PRO  75          2HB       PRO  75  -8.298  10.873  -9.432
  532   2HB   PRO  75          1HB       PRO  75  -7.307  10.040  -8.235
  533   1HG   PRO  75          2HG       PRO  75  -6.354  11.908 -10.026
  534   2HG   PRO  75          1HG       PRO  75  -5.361  10.675  -9.232
  535   1HD   PRO  75          2HD       PRO  75  -6.484  10.709 -12.004
  536   2HD   PRO  75          1HD       PRO  75  -4.922  10.093 -11.420
  537    H    ALA  76           H        ALA  76  -8.901  10.850 -11.010
  538    HA   ALA  76           HA       ALA  76 -10.815   9.211 -12.485
  539   1HB   ALA  76          1HB       ALA  76 -12.670  10.704 -11.836
  540   2HB   ALA  76          2HB       ALA  76 -11.594  11.528 -10.706
  541   3HB   ALA  76          3HB       ALA  76 -12.009   9.833 -10.452
  542    HA   PRO  77           HA       PRO  77  -8.820  12.852 -14.544
  543   1HB   PRO  77          2HB       PRO  77  -6.862  11.681 -15.895
  544   2HB   PRO  77          1HB       PRO  77  -6.778  11.798 -14.129
  545   1HG   PRO  77          2HG       PRO  77  -7.393   9.443 -15.835
  546   2HG   PRO  77          1HG       PRO  77  -6.558   9.525 -14.273
  547   1HD   PRO  77          2HD       PRO  77  -9.301   8.913 -14.742
  548   2HD   PRO  77          1HD       PRO  77  -8.494   9.124 -13.176
  549    H    LYS  78           H        LYS  78 -11.143  11.178 -15.471
  550    HA   LYS  78           HA       LYS  78 -11.185  12.171 -18.162
  551   1HB   LYS  78          2HB       LYS  78 -10.062   9.999 -18.490
  552   2HB   LYS  78          1HB       LYS  78 -11.400   9.187 -17.691
  553   1HG   LYS  78          2HG       LYS  78 -12.892   9.710 -19.470
  554   2HG   LYS  78          1HG       LYS  78 -11.725  10.814 -20.200
  555   1HD   LYS  78          2HD       LYS  78 -11.715   8.776 -21.459
  556   2HD   LYS  78          1HD       LYS  78 -10.204   8.872 -20.556
  557   1HE   LYS  78          2HE       LYS  78 -10.892   6.655 -20.292
  558   2HE   LYS  78          1HE       LYS  78 -11.388   7.438 -18.792
  559   1HZ   LYS  78          1HZ       LYS  78 -13.643   7.625 -19.693
  560   2HZ   LYS  78          2HZ       LYS  78 -13.129   6.012 -19.653
  561   3HZ   LYS  78          3HZ       LYS  78 -13.146   6.853 -21.121
  562    H    GLU  79           H        GLU  79 -13.031  13.272 -17.947
  563    HA   GLU  79           HA       GLU  79 -15.277  12.255 -16.465
  564   1HB   GLU  79          2HB       GLU  79 -15.082  14.626 -18.334
  565   2HB   GLU  79          1HB       GLU  79 -16.449  14.269 -17.289
  566   1HG   GLU  79          2HG       GLU  79 -13.656  14.983 -16.431
  567   2HG   GLU  79          1HG       GLU  79 -15.105  15.979 -16.287
  568    H    ASP  80           H        ASP  80 -15.058  10.236 -17.845
  569    HA   ASP  80           HA       ASP  80 -17.162  10.174 -19.795
  570   1HB   ASP  80          2HB       ASP  80 -15.427  10.882 -21.298
  571   2HB   ASP  80          1HB       ASP  80 -14.283   9.732 -20.612
  Start of MODEL   15
    1   1H    ALA   1          1HT       ALA   1  -7.851 -20.198  -1.846
    2   2H    ALA   1          2HT       ALA   1  -7.342 -20.470  -3.443
    3   3H    ALA   1          3HT       ALA   1  -8.558 -19.333  -3.121
    4    HA   ALA   1           HA       ALA   1  -5.772 -19.116  -2.147
    5   1HB   ALA   1          1HB       ALA   1  -7.082 -17.649  -4.436
    6   2HB   ALA   1          2HB       ALA   1  -5.897 -18.943  -4.607
    7   3HB   ALA   1          3HB       ALA   1  -5.435 -17.419  -3.848
    8    H    GLN   2           H        GLN   2  -6.391 -18.433  -0.108
    9    HA   GLN   2           HA       GLN   2  -8.348 -16.301   0.124
   10   1HB   GLN   2          2HB       GLN   2  -8.029 -16.531   2.547
   11   2HB   GLN   2          1HB       GLN   2  -8.425 -18.066   1.793
   12   1HG   GLN   2          2HG       GLN   2  -6.234 -18.876   2.035
   13   2HG   GLN   2          1HG       GLN   2  -5.595 -17.273   2.394
   14   1HE2  GLN   2          1HE2      GLN   2  -5.414 -19.779   3.892
   15   2HE2  GLN   2          2HE2      GLN   2  -6.059 -19.437   5.464
   16    H    VAL   3           H        VAL   3  -7.935 -14.257   0.465
   17    HA   VAL   3           HA       VAL   3  -5.132 -13.395   0.710
   18    HB   VAL   3           HB       VAL   3  -7.553 -11.689   0.077
   19   1HG1  VAL   3          1HG1      VAL   3  -4.596 -11.148  -0.136
   20   2HG1  VAL   3          2HG1      VAL   3  -5.721 -10.427   1.016
   21   3HG1  VAL   3          3HG1      VAL   3  -5.872 -10.071  -0.706
   22   1HG2  VAL   3          1HG2      VAL   3  -6.787 -11.722  -2.250
   23   2HG2  VAL   3          2HG2      VAL   3  -7.225 -13.336  -1.689
   24   3HG2  VAL   3          3HG2      VAL   3  -5.527 -12.878  -1.818
   25    H    ASN   4           H        ASN   4  -4.437 -12.418   2.588
   26    HA   ASN   4           HA       ASN   4  -6.490 -11.651   4.514
   27   1HB   ASN   4          2HB       ASN   4  -4.865 -12.541   6.328
   28   2HB   ASN   4          1HB       ASN   4  -5.918 -13.674   5.498
   29   1HD2  ASN   4          1HD2      ASN   4  -2.899 -12.270   4.261
   30   2HD2  ASN   4          2HD2      ASN   4  -2.048 -13.778   4.169
   31    H    ILE   5           H        ILE   5  -6.289  -9.569   4.751
   32    HA   ILE   5           HA       ILE   5  -3.591  -8.419   4.995
   33    HB   ILE   5           HB       ILE   5  -5.870  -7.221   3.404
   34   1HG1  ILE   5          2HG1      ILE   5  -3.176  -8.266   2.504
   35   2HG1  ILE   5          1HG1      ILE   5  -4.717  -9.073   2.246
   36   1HG2  ILE   5          1HG2      ILE   5  -4.583  -5.522   4.584
   37   2HG2  ILE   5          2HG2      ILE   5  -4.299  -5.442   2.846
   38   3HG2  ILE   5          3HG2      ILE   5  -3.090  -6.168   3.902
   39   1HD1  ILE   5          1HD1      ILE   5  -3.917  -6.400   1.116
   40   2HD1  ILE   5          2HD1      ILE   5  -5.455  -7.222   0.845
   41   3HD1  ILE   5          3HD1      ILE   5  -3.957  -7.931   0.242
   42    H    ALA   6           H        ALA   6  -3.339  -7.173   6.722
   43    HA   ALA   6           HA       ALA   6  -5.549  -6.683   8.505
   44   1HB   ALA   6          1HB       ALA   6  -3.340  -7.304   9.371
   45   2HB   ALA   6          2HB       ALA   6  -3.838  -5.721   9.971
   46   3HB   ALA   6          3HB       ALA   6  -2.654  -5.839   8.670
   47    HA   PRO   7           HA       PRO   7  -6.480  -2.523   7.192
   48   1HB   PRO   7          2HB       PRO   7  -6.926  -1.261   9.560
   49   2HB   PRO   7          1HB       PRO   7  -8.061  -2.411   8.845
   50   1HG   PRO   7          2HG       PRO   7  -6.037  -2.843  11.004
   51   2HG   PRO   7          1HG       PRO   7  -7.714  -3.414  10.912
   52   1HD   PRO   7          2HD       PRO   7  -5.610  -5.006  10.337
   53   2HD   PRO   7          1HD       PRO   7  -7.173  -5.163   9.510
   54    H    GLY   8           H        GLY   8  -3.740  -2.948   7.135
   55   1HA   GLY   8          2HA       GLY   8  -2.650  -0.484   8.351
   56   2HA   GLY   8          1HA       GLY   8  -1.706  -1.932   8.046
   57    H    SER   9           H        SER   9  -0.169  -0.880   6.795
   58    HA   SER   9           HA       SER   9  -0.781   0.964   4.768
   59   1HB   SER   9          2HB       SER   9   1.580   0.482   3.998
   60   2HB   SER   9          1HB       SER   9   1.415   0.973   5.684
   61    HG   SER   9           HG       SER   9   2.349  -0.824   6.188
   62    H    LEU  10           H        LEU  10  -1.475   0.756   2.753
   63    HA   LEU  10           HA       LEU  10  -2.260  -1.754   1.688
   64   1HB   LEU  10          2HB       LEU  10  -3.471   0.293   1.176
   65   2HB   LEU  10          1HB       LEU  10  -2.039   0.989   0.442
   66    HG   LEU  10           HG       LEU  10  -2.129  -0.749  -1.328
   67   1HD1  LEU  10          1HD1      LEU  10  -4.103  -2.132  -1.577
   68   2HD1  LEU  10          2HD1      LEU  10  -4.775  -1.480  -0.084
   69   3HD1  LEU  10          3HD1      LEU  10  -3.317  -2.468  -0.035
   70   1HD2  LEU  10          1HD2      LEU  10  -4.626   0.898  -0.983
   71   2HD2  LEU  10          2HD2      LEU  10  -4.080   0.170  -2.493
   72   3HD2  LEU  10          3HD2      LEU  10  -3.115   1.429  -1.721
   73    H    ASP  11           H        ASP  11   0.453   0.403   1.272
   74    HA   ASP  11           HA       ASP  11   1.800  -0.632  -0.852
   75   1HB   ASP  11          2HB       ASP  11   3.196   0.009   1.749
   76   2HB   ASP  11          1HB       ASP  11   3.800   0.234   0.111
   77    H    LYS  12           H        LYS  12   2.086  -1.762   2.511
   78    HA   LYS  12           HA       LYS  12   3.645  -4.049   1.882
   79   1HB   LYS  12          2HB       LYS  12   3.585  -2.960   4.108
   80   2HB   LYS  12          1HB       LYS  12   1.924  -3.496   4.308
   81   1HG   LYS  12          2HG       LYS  12   2.699  -5.836   4.185
   82   2HG   LYS  12          1HG       LYS  12   4.361  -5.250   4.078
   83   1HD   LYS  12          2HD       LYS  12   3.796  -5.895   6.368
   84   2HD   LYS  12          1HD       LYS  12   4.120  -4.164   6.254
   85   1HE   LYS  12          2HE       LYS  12   1.713  -3.721   6.178
   86   2HE   LYS  12          1HE       LYS  12   1.390  -5.449   6.291
   87   1HZ   LYS  12          1HZ       LYS  12   2.729  -3.779   8.348
   88   2HZ   LYS  12          2HZ       LYS  12   2.496  -5.456   8.454
   89   3HZ   LYS  12          3HZ       LYS  12   1.157  -4.416   8.433
   90    H    ALA  13           H        ALA  13   0.264  -3.358   1.823
   91    HA   ALA  13           HA       ALA  13  -0.736  -6.011   2.125
   92   1HB   ALA  13          1HB       ALA  13  -2.845  -5.092   1.302
   93   2HB   ALA  13          2HB       ALA  13  -2.020  -3.599   0.847
   94   3HB   ALA  13          3HB       ALA  13  -2.138  -4.059   2.546
   95    H    LEU  14           H        LEU  14  -0.366  -3.898  -0.742
   96    HA   LEU  14           HA       LEU  14  -0.959  -5.763  -2.699
   97   1HB   LEU  14          2HB       LEU  14   1.053  -3.514  -2.795
   98   2HB   LEU  14          1HB       LEU  14   0.421  -4.356  -4.195
   99    HG   LEU  14           HG       LEU  14  -1.274  -2.743  -2.288
  100   1HD1  LEU  14          1HD1      LEU  14   0.306  -1.299  -3.445
  101   2HD1  LEU  14          2HD1      LEU  14  -1.327  -1.054  -4.058
  102   3HD1  LEU  14          3HD1      LEU  14  -0.167  -1.998  -4.993
  103   1HD2  LEU  14          1HD2      LEU  14  -2.519  -4.472  -3.447
  104   2HD2  LEU  14          2HD2      LEU  14  -1.852  -3.944  -4.995
  105   3HD2  LEU  14          3HD2      LEU  14  -2.938  -2.883  -4.094
  106    H    ASN  15           H        ASN  15   2.135  -5.056  -1.146
  107    HA   ASN  15           HA       ASN  15   3.728  -6.760  -2.717
  108   1HB   ASN  15          2HB       ASN  15   4.631  -4.975  -1.266
  109   2HB   ASN  15          1HB       ASN  15   4.146  -5.895   0.153
  110   1HD2  ASN  15          1HD2      ASN  15   6.264  -5.964   0.888
  111   2HD2  ASN  15          2HD2      ASN  15   7.451  -6.993   0.170
  112    H    GLN  16           H        GLN  16   1.730  -7.327   0.124
  113    HA   GLN  16           HA       GLN  16   2.628  -9.903   0.751
  114   1HB   GLN  16          2HB       GLN  16   1.218  -8.557   2.239
  115   2HB   GLN  16          1HB       GLN  16  -0.111  -8.665   1.100
  116   1HG   GLN  16          2HG       GLN  16   1.063 -11.165   2.221
  117   2HG   GLN  16          1HG       GLN  16  -0.027 -10.196   3.208
  118   1HE2  GLN  16          1HE2      GLN  16  -1.579  -9.319   0.885
  119   2HE2  GLN  16          2HE2      GLN  16  -2.546 -10.676   0.426
  120    H    TYR  17           H        TYR  17   0.122  -8.781  -1.542
  121    HA   TYR  17           HA       TYR  17  -0.709 -11.454  -2.174
  122   1HB   TYR  17          2HB       TYR  17  -2.147  -9.357  -2.433
  123   2HB   TYR  17          1HB       TYR  17  -1.187  -8.998  -3.866
  124    HD1  TYR  17           1HD      TYR  17  -2.426  -9.442  -5.809
  125    HD2  TYR  17           2HD      TYR  17  -2.716 -12.121  -2.505
  126    HE1  TYR  17           1HE      TYR  17  -3.880 -10.921  -7.131
  127    HE2  TYR  17           2HE      TYR  17  -4.171 -13.593  -3.819
  128    HH   TYR  17           HH       TYR  17  -5.698 -13.428  -5.766
  129    H    ALA  18           H        ALA  18   1.368  -8.996  -3.630
  130    HA   ALA  18           HA       ALA  18   2.093 -10.213  -5.979
  131   1HB   ALA  18          1HB       ALA  18   3.871  -8.607  -4.154
  132   2HB   ALA  18          2HB       ALA  18   2.758  -7.955  -5.356
  133   3HB   ALA  18          3HB       ALA  18   4.151  -8.909  -5.867
  134    H    ALA  19           H        ALA  19   3.764 -10.566  -2.846
  135    HA   ALA  19           HA       ALA  19   5.679 -12.413  -3.776
  136   1HB   ALA  19          1HB       ALA  19   6.172 -12.815  -1.428
  137   2HB   ALA  19          2HB       ALA  19   4.674 -12.007  -0.960
  138   3HB   ALA  19          3HB       ALA  19   5.967 -11.088  -1.735
  139    H    HIS  20           H        HIS  20   2.392 -12.776  -2.783
  140    HA   HIS  20           HA       HIS  20   2.478 -15.474  -1.950
  141   1HB   HIS  20          2HB       HIS  20   0.611 -13.938  -1.415
  142   2HB   HIS  20          1HB       HIS  20   0.131 -13.957  -3.107
  143    HD1  HIS  20           1HD      HIS  20   0.301 -16.217  -0.079
  144    HD2  HIS  20           2HD      HIS  20  -1.413 -16.108  -3.869
  145    HE1  HIS  20           1HE      HIS  20  -1.319 -18.140  -0.147
  146    HE2  HIS  20           2HE      HIS  20  -2.137 -18.200  -2.531
  147    H    SER  21           H        SER  21   1.734 -14.018  -5.134
  148    HA   SER  21           HA       SER  21   1.654 -16.722  -6.253
  149   1HB   SER  21          2HB       SER  21   0.857 -14.096  -7.523
  150   2HB   SER  21          1HB       SER  21   0.606 -15.703  -8.206
  151    HG   SER  21           HG       SER  21  -0.741 -16.178  -6.437
  152    H    GLY  22           H        GLY  22   3.792 -14.257  -5.798
  153   1HA   GLY  22          2HA       GLY  22   5.954 -13.953  -6.482
  154   2HA   GLY  22          1HA       GLY  22   5.829 -15.505  -7.290
  155    H    PHE  23           H        PHE  23   4.096 -12.437  -7.901
  156    HA   PHE  23           HA       PHE  23   5.251 -12.518 -10.604
  157   1HB   PHE  23          2HB       PHE  23   3.319 -10.947 -11.188
  158   2HB   PHE  23          1HB       PHE  23   2.927 -12.633 -10.905
  159    HD1  PHE  23           1HD      PHE  23   1.214 -13.178  -9.472
  160    HD2  PHE  23           2HD      PHE  23   3.041  -9.348  -9.161
  161    HE1  PHE  23           1HE      PHE  23  -0.502 -12.498  -7.847
  162    HE2  PHE  23           2HE      PHE  23   1.331  -8.667  -7.530
  163    HZ   PHE  23           HZ       PHE  23  -0.451 -10.230  -6.881
  164    H    THR  24           H        THR  24   5.629 -10.375 -11.625
  165    HA   THR  24           HA       THR  24   7.328  -8.928  -9.784
  166    HB   THR  24           HB       THR  24   7.046  -8.578 -12.771
  167    HG1  THR  24           1HG      THR  24   9.093 -10.060 -11.479
  168   1HG2  THR  24          1HG2      THR  24   9.304  -7.635 -12.626
  169   2HG2  THR  24          2HG2      THR  24   9.282  -7.848 -10.877
  170   3HG2  THR  24          3HG2      THR  24   8.170  -6.713 -11.638
  171    H    LEU  25           H        LEU  25   6.707  -7.160  -8.787
  172    HA   LEU  25           HA       LEU  25   4.604  -5.468  -9.899
  173   1HB   LEU  25          2HB       LEU  25   5.662  -6.040  -7.241
  174   2HB   LEU  25          1HB       LEU  25   5.392  -4.327  -7.518
  175    HG   LEU  25           HG       LEU  25   3.461  -5.599  -6.495
  176   1HD1  LEU  25          1HD1      LEU  25   1.786  -4.454  -7.854
  177   2HD1  LEU  25          2HD1      LEU  25   2.980  -4.210  -9.128
  178   3HD1  LEU  25          3HD1      LEU  25   3.182  -3.416  -7.568
  179   1HD2  LEU  25          1HD2      LEU  25   3.374  -6.755  -9.264
  180   2HD2  LEU  25          2HD2      LEU  25   2.059  -6.851  -8.095
  181   3HD2  LEU  25          3HD2      LEU  25   3.603  -7.631  -7.751
  182    H    SER  26           H        SER  26   5.106  -3.753 -11.086
  183    HA   SER  26           HA       SER  26   7.733  -2.480 -10.740
  184   1HB   SER  26          2HB       SER  26   5.749  -2.165 -13.006
  185   2HB   SER  26          1HB       SER  26   7.396  -1.536 -12.956
  186    HG   SER  26           HG       SER  26   7.453  -4.164 -12.464
  187    H    VAL  27           H        VAL  27   7.378  -1.157  -9.010
  188    HA   VAL  27           HA       VAL  27   5.407   0.985  -9.367
  189    HB   VAL  27           HB       VAL  27   4.239  -0.624  -7.998
  190   1HG1  VAL  27          1HG1      VAL  27   5.103  -1.413  -5.853
  191   2HG1  VAL  27          2HG1      VAL  27   6.617  -0.557  -6.144
  192   3HG1  VAL  27          3HG1      VAL  27   6.151  -1.902  -7.184
  193   1HG2  VAL  27          1HG2      VAL  27   3.910   1.705  -7.390
  194   2HG2  VAL  27          2HG2      VAL  27   5.296   1.635  -6.299
  195   3HG2  VAL  27          3HG2      VAL  27   3.851   0.683  -5.953
  196    H    ASP  28           H        ASP  28   6.120   2.929  -8.778
  197    HA   ASP  28           HA       ASP  28   8.733   3.161  -7.511
  198   1HB   ASP  28          2HB       ASP  28   8.382   4.537  -9.476
  199   2HB   ASP  28          1HB       ASP  28   6.911   5.213  -8.788
  200    H    ALA  29           H        ALA  29   8.866   3.313  -5.398
  201    HA   ALA  29           HA       ALA  29   6.719   3.686  -3.631
  202   1HB   ALA  29          1HB       ALA  29   8.782   2.515  -3.035
  203   2HB   ALA  29          2HB       ALA  29   8.404   3.796  -1.885
  204   3HB   ALA  29          3HB       ALA  29   9.662   4.044  -3.095
  205    H    SER  30           H        SER  30   5.762   5.595  -4.600
  206    HA   SER  30           HA       SER  30   6.431   7.968  -3.109
  207   1HB   SER  30          2HB       SER  30   6.359   8.153  -6.135
  208   2HB   SER  30          1HB       SER  30   6.712   9.449  -4.995
  209    HG   SER  30           HG       SER  30   8.357   7.556  -6.063
  210    H    LEU  31           H        LEU  31   4.614   6.755  -5.924
  211    HA   LEU  31           HA       LEU  31   2.222   8.145  -5.404
  212   1HB   LEU  31          2HB       LEU  31   2.591   5.433  -6.696
  213   2HB   LEU  31          1HB       LEU  31   1.154   6.432  -6.808
  214    HG   LEU  31           HG       LEU  31   3.867   7.163  -7.921
  215   1HD1  LEU  31          1HD1      LEU  31   2.847   6.769 -10.099
  216   2HD1  LEU  31          2HD1      LEU  31   1.355   6.249  -9.319
  217   3HD1  LEU  31          3HD1      LEU  31   2.830   5.304  -9.120
  218   1HD2  LEU  31          1HD2      LEU  31   2.692   9.002  -8.998
  219   2HD2  LEU  31          2HD2      LEU  31   2.525   9.104  -7.246
  220   3HD2  LEU  31          3HD2      LEU  31   1.184   8.511  -8.226
  221    H    THR  32           H        THR  32   3.391   4.961  -4.470
  222    HA   THR  32           HA       THR  32   1.219   4.622  -2.567
  223    HB   THR  32           HB       THR  32   2.350   2.396  -2.153
  224    HG1  THR  32           1HG      THR  32   4.393   2.638  -2.856
  225   1HG2  THR  32          1HG2      THR  32   0.433   2.595  -3.656
  226   2HG2  THR  32          2HG2      THR  32   1.584   1.404  -4.266
  227   3HG2  THR  32          3HG2      THR  32   1.511   3.012  -4.988
  228    H    ARG  33           H        ARG  33   2.463   6.737  -1.721
  229    HA   ARG  33           HA       ARG  33   4.358   5.867   0.340
  230   1HB   ARG  33          2HB       ARG  33   5.120   7.791  -0.914
  231   2HB   ARG  33          1HB       ARG  33   3.602   8.631  -0.620
  232   1HG   ARG  33          2HG       ARG  33   5.312   9.519   0.815
  233   2HG   ARG  33          1HG       ARG  33   4.111   8.671   1.786
  234   1HD   ARG  33          2HD       ARG  33   5.651   6.669   1.723
  235   2HD   ARG  33          1HD       ARG  33   6.871   7.736   1.028
  236    HE   ARG  33           HE       ARG  33   5.633   8.458   3.592
  237   1HH1  ARG  33          1HH1      ARG  33   8.495   7.460   1.803
  238   2HH1  ARG  33          2HH1      ARG  33   9.559   7.760   3.145
  239   1HH2  ARG  33          1HH2      ARG  33   7.045   8.838   5.314
  240   2HH2  ARG  33          2HH2      ARG  33   8.750   8.540   5.120
  241    H    GLY  34           H        GLY  34   3.397   5.192   2.135
  242   1HA   GLY  34          2HA       GLY  34   2.209   5.345   4.097
  243   2HA   GLY  34          1HA       GLY  34   1.837   7.011   3.673
  244    H    LYS  35           H        LYS  35   1.042   4.218   1.682
  245    HA   LYS  35           HA       LYS  35  -1.753   4.942   1.782
  246   1HB   LYS  35          2HB       LYS  35  -0.063   3.335   0.064
  247   2HB   LYS  35          1HB       LYS  35  -1.524   2.459   0.508
  248   1HG   LYS  35          2HG       LYS  35  -1.923   3.634  -1.532
  249   2HG   LYS  35          1HG       LYS  35  -2.863   4.394  -0.245
  250   1HD   LYS  35          2HD       LYS  35  -1.129   6.124  -0.023
  251   2HD   LYS  35          1HD       LYS  35  -0.221   5.374  -1.337
  252   1HE   LYS  35          2HE       LYS  35  -2.167   5.756  -2.827
  253   2HE   LYS  35          1HE       LYS  35  -2.970   6.604  -1.505
  254   1HZ   LYS  35          1HZ       LYS  35  -1.915   8.174  -2.976
  255   2HZ   LYS  35          2HZ       LYS  35  -0.419   7.395  -2.808
  256   3HZ   LYS  35          3HZ       LYS  35  -1.112   8.185  -1.479
  257    H    GLN  36           H        GLN  36  -3.370   3.820   2.784
  258    HA   GLN  36           HA       GLN  36  -2.641   1.425   4.315
  259   1HB   GLN  36          2HB       GLN  36  -3.955   3.901   5.450
  260   2HB   GLN  36          1HB       GLN  36  -3.916   2.348   6.273
  261   1HG   GLN  36          2HG       GLN  36  -1.512   2.416   6.397
  262   2HG   GLN  36          1HG       GLN  36  -1.471   3.891   5.433
  263   1HE2  GLN  36          1HE2      GLN  36  -2.048   5.836   6.372
  264   2HE2  GLN  36          2HE2      GLN  36  -2.161   6.037   8.086
  265    H    SER  37           H        SER  37  -4.219  -0.123   4.337
  266    HA   SER  37           HA       SER  37  -6.817   0.625   3.221
  267   1HB   SER  37          2HB       SER  37  -5.227  -0.672   1.672
  268   2HB   SER  37          1HB       SER  37  -5.441  -2.021   2.776
  269    HG   SER  37           HG       SER  37  -7.061  -1.206   0.811
  270    H    ASN  38           H        ASN  38  -8.520  -0.083   4.353
  271    HA   ASN  38           HA       ASN  38  -8.241  -0.994   6.972
  272   1HB   ASN  38          2HB       ASN  38 -10.600  -0.859   5.120
  273   2HB   ASN  38          1HB       ASN  38 -10.756  -1.503   6.752
  274   1HD2  ASN  38          1HD2      ASN  38  -8.499   1.057   5.986
  275   2HD2  ASN  38          2HD2      ASN  38  -9.362   2.315   6.803
  276    H    GLY  39           H        GLY  39  -8.241  -2.849   4.089
  277   1HA   GLY  39          2HA       GLY  39  -6.969  -4.977   4.744
  278   2HA   GLY  39          1HA       GLY  39  -8.380  -5.289   5.740
  279    H    LEU  40           H        LEU  40  -7.983  -7.296   4.212
  280    HA   LEU  40           HA       LEU  40 -10.067  -7.289   2.291
  281   1HB   LEU  40          2HB       LEU  40  -8.230  -6.334   0.916
  282   2HB   LEU  40          1HB       LEU  40  -7.232  -7.720   1.314
  283    HG   LEU  40           HG       LEU  40  -8.932  -9.174   0.185
  284   1HD1  LEU  40          1HD1      LEU  40 -10.825  -7.646   0.342
  285   2HD1  LEU  40          2HD1      LEU  40 -10.523  -8.134  -1.325
  286   3HD1  LEU  40          3HD1      LEU  40 -10.023  -6.536  -0.769
  287   1HD2  LEU  40          1HD2      LEU  40  -6.870  -8.525  -0.930
  288   2HD2  LEU  40          2HD2      LEU  40  -7.631  -7.040  -1.499
  289   3HD2  LEU  40          3HD2      LEU  40  -8.205  -8.604  -2.079
  290    H    HIS  41           H        HIS  41 -10.982  -9.295   2.629
  291    HA   HIS  41           HA       HIS  41  -9.171 -11.551   2.990
  292   1HB   HIS  41          2HB       HIS  41  -9.598 -10.780   5.291
  293   2HB   HIS  41          1HB       HIS  41 -11.331 -10.967   5.024
  294    HD1  HIS  41           1HD      HIS  41 -12.260 -13.137   5.779
  295    HD2  HIS  41           2HD      HIS  41  -8.207 -13.412   4.882
  296    HE1  HIS  41           1HE      HIS  41 -11.606 -15.497   6.323
  297    HE2  HIS  41           2HE      HIS  41  -9.229 -15.704   5.527
  298    H    GLY  42           H        GLY  42  -9.809 -12.528   1.192
  299   1HA   GLY  42          2HA       GLY  42 -12.145 -14.142   1.400
  300   2HA   GLY  42          1HA       GLY  42 -12.327 -12.914   0.149
  301    H    ASP  43           H        ASP  43 -12.441 -15.418  -0.737
  302    HA   ASP  43           HA       ASP  43  -9.851 -16.132  -1.825
  303   1HB   ASP  43          2HB       ASP  43 -11.567 -17.881  -1.484
  304   2HB   ASP  43          1HB       ASP  43 -12.630 -17.058  -2.621
  305    H    TYR  44           H        TYR  44  -8.942 -14.930  -3.354
  306    HA   TYR  44           HA       TYR  44 -10.708 -13.500  -5.213
  307   1HB   TYR  44          2HB       TYR  44  -8.431 -12.423  -3.581
  308   2HB   TYR  44          1HB       TYR  44  -8.919 -11.636  -5.079
  309    HD1  TYR  44           1HD      TYR  44  -9.556 -11.951  -1.581
  310    HD2  TYR  44           2HD      TYR  44 -11.372 -10.918  -5.284
  311    HE1  TYR  44           1HE      TYR  44 -11.336 -10.765  -0.368
  312    HE2  TYR  44           2HE      TYR  44 -13.156  -9.729  -4.082
  313    HH   TYR  44           HH       TYR  44 -14.210  -9.800  -1.824
  314    H    ASP  45           H        ASP  45 -10.256 -13.779  -7.259
  315    HA   ASP  45           HA       ASP  45  -7.930 -15.052  -8.252
  316   1HB   ASP  45          2HB       ASP  45  -9.997 -14.990  -9.556
  317   2HB   ASP  45          1HB       ASP  45  -9.927 -13.233  -9.625
  318    H    VAL  46           H        VAL  46  -6.355 -13.965  -9.734
  319    HA   VAL  46           HA       VAL  46  -4.778 -12.218  -8.306
  320    HB   VAL  46           HB       VAL  46  -4.823 -12.491 -11.315
  321   1HG1  VAL  46          1HG1      VAL  46  -3.487 -10.594 -10.546
  322   2HG1  VAL  46          2HG1      VAL  46  -2.460 -11.873 -11.195
  323   3HG1  VAL  46          3HG1      VAL  46  -2.602 -11.656  -9.451
  324   1HG2  VAL  46          1HG2      VAL  46  -4.671 -14.673 -10.252
  325   2HG2  VAL  46          2HG2      VAL  46  -3.337 -14.109  -9.243
  326   3HG2  VAL  46          3HG2      VAL  46  -3.129 -14.239 -10.991
  327    H    GLU  47           H        GLU  47  -6.667 -11.332 -11.219
  328    HA   GLU  47           HA       GLU  47  -6.199  -8.573 -10.960
  329   1HB   GLU  47          2HB       GLU  47  -8.443  -9.999 -12.395
  330   2HB   GLU  47          1HB       GLU  47  -7.949  -8.335 -12.663
  331   1HG   GLU  47          2HG       GLU  47  -5.775  -9.097 -13.461
  332   2HG   GLU  47          1HG       GLU  47  -6.252 -10.768 -13.170
  333    H    SER  48           H        SER  48  -8.763 -10.655  -9.707
  334    HA   SER  48           HA       SER  48 -10.603  -8.516  -9.274
  335   1HB   SER  48          2HB       SER  48 -11.329 -10.845  -9.691
  336   2HB   SER  48          1HB       SER  48 -10.632 -11.325  -8.144
  337    HG   SER  48           HG       SER  48 -12.509  -9.221  -8.266
  338    H    GLY  49           H        GLY  49  -8.086 -10.027  -7.404
  339   1HA   GLY  49          2HA       GLY  49  -9.092  -9.044  -4.868
  340   2HA   GLY  49          1HA       GLY  49  -7.577  -9.904  -5.132
  341    H    LEU  50           H        LEU  50  -6.770  -8.111  -7.293
  342    HA   LEU  50           HA       LEU  50  -5.521  -6.141  -5.600
  343   1HB   LEU  50          2HB       LEU  50  -3.942  -5.999  -7.228
  344   2HB   LEU  50          1HB       LEU  50  -4.624  -7.548  -7.660
  345    HG   LEU  50           HG       LEU  50  -6.152  -5.896  -9.164
  346   1HD1  LEU  50          1HD1      LEU  50  -4.836  -3.941  -8.495
  347   2HD1  LEU  50          2HD1      LEU  50  -4.692  -4.274 -10.222
  348   3HD1  LEU  50          3HD1      LEU  50  -3.382  -4.718  -9.124
  349   1HD2  LEU  50          1HD2      LEU  50  -3.514  -7.163  -9.866
  350   2HD2  LEU  50          2HD2      LEU  50  -4.708  -6.591 -11.034
  351   3HD2  LEU  50          3HD2      LEU  50  -5.105  -7.922  -9.945
  352    H    GLN  51           H        GLN  51  -7.735  -6.187  -8.364
  353    HA   GLN  51           HA       GLN  51  -8.270  -3.508  -8.661
  354   1HB   GLN  51          2HB       GLN  51  -9.225  -5.094 -10.168
  355   2HB   GLN  51          1HB       GLN  51 -10.114  -5.884  -8.871
  356   1HG   GLN  51          2HG       GLN  51 -11.506  -3.906  -8.608
  357   2HG   GLN  51          1HG       GLN  51 -10.603  -3.089  -9.881
  358   1HE2  GLN  51          1HE2      GLN  51 -12.470  -2.815 -11.093
  359   2HE2  GLN  51          2HE2      GLN  51 -13.188  -4.124 -11.970
  360    H    GLN  52           H        GLN  52  -9.589  -5.705  -6.235
  361    HA   GLN  52           HA       GLN  52 -11.488  -3.919  -5.154
  362   1HB   GLN  52          2HB       GLN  52 -11.530  -6.324  -4.666
  363   2HB   GLN  52          1HB       GLN  52 -10.009  -6.182  -3.793
  364   1HG   GLN  52          2HG       GLN  52 -11.845  -6.302  -2.242
  365   2HG   GLN  52          1HG       GLN  52 -11.091  -4.712  -2.159
  366   1HE2  GLN  52          1HE2      GLN  52 -13.273  -5.738  -4.712
  367   2HE2  GLN  52          2HE2      GLN  52 -14.565  -4.659  -4.288
  368    H    LEU  53           H        LEU  53  -8.137  -4.625  -4.258
  369    HA   LEU  53           HA       LEU  53  -7.886  -2.871  -2.107
  370   1HB   LEU  53          2HB       LEU  53  -5.845  -3.831  -4.104
  371   2HB   LEU  53          1HB       LEU  53  -5.437  -2.925  -2.656
  372    HG   LEU  53           HG       LEU  53  -6.818  -5.611  -2.670
  373   1HD1  LEU  53          1HD1      LEU  53  -3.965  -4.930  -1.985
  374   2HD1  LEU  53          2HD1      LEU  53  -4.493  -5.732  -3.464
  375   3HD1  LEU  53          3HD1      LEU  53  -4.719  -6.523  -1.904
  376   1HD2  LEU  53          1HD2      LEU  53  -5.685  -3.963  -0.411
  377   2HD2  LEU  53          2HD2      LEU  53  -6.358  -5.588  -0.269
  378   3HD2  LEU  53          3HD2      LEU  53  -7.395  -4.242  -0.739
  379    H    LEU  54           H        LEU  54  -8.108  -2.163  -5.467
  380    HA   LEU  54           HA       LEU  54  -6.692   0.316  -5.417
  381   1HB   LEU  54          2HB       LEU  54  -8.715  -0.741  -7.389
  382   2HB   LEU  54          1HB       LEU  54  -7.732   0.690  -7.629
  383    HG   LEU  54           HG       LEU  54  -6.714  -2.144  -7.395
  384   1HD1  LEU  54          1HD1      LEU  54  -6.067  -1.846  -9.732
  385   2HD1  LEU  54          2HD1      LEU  54  -6.824  -0.252  -9.737
  386   3HD1  LEU  54          3HD1      LEU  54  -7.810  -1.697  -9.515
  387   1HD2  LEU  54          1HD2      LEU  54  -5.231   0.445  -7.819
  388   2HD2  LEU  54          2HD2      LEU  54  -4.529  -1.166  -7.957
  389   3HD2  LEU  54          3HD2      LEU  54  -5.135  -0.601  -6.401
  390    H    ASP  55           H        ASP  55  -9.907  -0.637  -4.578
  391    HA   ASP  55           HA       ASP  55 -11.119   1.911  -5.066
  392   1HB   ASP  55          2HB       ASP  55 -12.478  -0.122  -5.089
  393   2HB   ASP  55          1HB       ASP  55 -12.088  -0.418  -3.397
  394    H    GLY  56           H        GLY  56 -10.683   3.656  -3.944
  395   1HA   GLY  56          2HA       GLY  56 -11.097   4.604  -1.642
  396   2HA   GLY  56          1HA       GLY  56 -10.001   3.347  -1.084
  397    H    SER  57           H        SER  57  -8.598   3.938  -3.820
  398    HA   SER  57           HA       SER  57  -7.078   6.263  -2.839
  399   1HB   SER  57          2HB       SER  57  -5.100   5.256  -3.967
  400   2HB   SER  57          1HB       SER  57  -5.738   4.230  -2.683
  401    HG   SER  57           HG       SER  57  -6.808   3.010  -4.313
  402    H    GLY  58           H        GLY  58  -5.729   7.218  -4.810
  403   1HA   GLY  58          2HA       GLY  58  -7.643   7.519  -7.034
  404   2HA   GLY  58          1HA       GLY  58  -6.582   8.801  -6.459
  405    H    LEU  59           H        LEU  59  -5.636   5.471  -6.813
  406    HA   LEU  59           HA       LEU  59  -3.921   6.223  -9.087
  407   1HB   LEU  59          2HB       LEU  59  -3.341   4.214  -6.896
  408   2HB   LEU  59          1HB       LEU  59  -2.308   4.545  -8.274
  409    HG   LEU  59           HG       LEU  59  -2.998   6.552  -6.122
  410   1HD1  LEU  59          1HD1      LEU  59  -0.457   4.984  -6.562
  411   2HD1  LEU  59          2HD1      LEU  59  -1.625   4.710  -5.270
  412   3HD1  LEU  59          3HD1      LEU  59  -0.724   6.224  -5.335
  413   1HD2  LEU  59          1HD2      LEU  59  -2.496   7.534  -8.324
  414   2HD2  LEU  59          2HD2      LEU  59  -0.960   6.666  -8.349
  415   3HD2  LEU  59          3HD2      LEU  59  -1.255   7.906  -7.126
  416    H    GLN  60           H        GLN  60  -3.147   3.882 -10.106
  417    HA   GLN  60           HA       GLN  60  -5.323   2.019 -10.097
  418   1HB   GLN  60          2HB       GLN  60  -6.072   3.681 -11.770
  419   2HB   GLN  60          1HB       GLN  60  -4.578   3.426 -12.666
  420   1HG   GLN  60          2HG       GLN  60  -5.177   1.147 -13.121
  421   2HG   GLN  60          1HG       GLN  60  -6.607   1.280 -12.098
  422   1HE2  GLN  60          1HE2      GLN  60  -8.391   2.434 -12.842
  423   2HE2  GLN  60          2HE2      GLN  60  -8.586   2.832 -14.520
  424    H    VAL  61           H        VAL  61  -4.358   0.125  -9.974
  425    HA   VAL  61           HA       VAL  61  -1.675  -0.213 -11.071
  426    HB   VAL  61           HB       VAL  61  -3.313  -2.147  -9.416
  427   1HG1  VAL  61          1HG1      VAL  61  -0.409  -2.203 -10.223
  428   2HG1  VAL  61          2HG1      VAL  61  -1.676  -3.287 -10.796
  429   3HG1  VAL  61          3HG1      VAL  61  -1.180  -3.328  -9.106
  430   1HG2  VAL  61          1HG2      VAL  61  -1.042  -0.339  -8.588
  431   2HG2  VAL  61          2HG2      VAL  61  -1.838  -1.536  -7.564
  432   3HG2  VAL  61          3HG2      VAL  61  -2.740  -0.138  -8.148
  433    H    LYS  62           H        LYS  62  -1.318  -1.244 -12.936
  434    HA   LYS  62           HA       LYS  62  -3.540  -2.787 -14.094
  435   1HB   LYS  62          2HB       LYS  62  -1.695  -0.880 -15.552
  436   2HB   LYS  62          1HB       LYS  62  -2.881  -1.925 -16.320
  437   1HG   LYS  62          2HG       LYS  62  -4.672  -0.736 -15.136
  438   2HG   LYS  62          1HG       LYS  62  -3.467   0.344 -14.427
  439   1HD   LYS  62          2HD       LYS  62  -4.075   0.006 -17.363
  440   2HD   LYS  62          1HD       LYS  62  -4.510   1.390 -16.359
  441   1HE   LYS  62          2HE       LYS  62  -2.112   1.813 -15.963
  442   2HE   LYS  62          1HE       LYS  62  -1.719   0.471 -17.035
  443   1HZ   LYS  62          1HZ       LYS  62  -1.564   2.568 -18.195
  444   2HZ   LYS  62          2HZ       LYS  62  -3.173   2.946 -17.811
  445   3HZ   LYS  62          3HZ       LYS  62  -2.830   1.647 -18.848
  446    HA   PRO  63           HA       PRO  63  -0.428  -5.964 -14.499
  447   1HB   PRO  63          2HB       PRO  63  -2.189  -6.802 -16.755
  448   2HB   PRO  63          1HB       PRO  63  -1.585  -7.752 -15.392
  449   1HG   PRO  63          2HG       PRO  63  -4.124  -6.941 -15.472
  450   2HG   PRO  63          1HG       PRO  63  -3.217  -6.962 -13.948
  451   1HD   PRO  63          2HD       PRO  63  -3.929  -4.650 -15.704
  452   2HD   PRO  63          1HD       PRO  63  -3.869  -4.747 -13.930
  453    H    LEU  64           H        LEU  64   1.407  -5.572 -15.440
  454    HA   LEU  64           HA       LEU  64   1.791  -3.556 -17.321
  455   1HB   LEU  64          2HB       LEU  64   3.455  -4.246 -15.667
  456   2HB   LEU  64          1HB       LEU  64   3.665  -5.773 -16.502
  457    HG   LEU  64           HG       LEU  64   4.557  -4.559 -18.462
  458   1HD1  LEU  64          1HD1      LEU  64   3.387  -2.442 -18.145
  459   2HD1  LEU  64          2HD1      LEU  64   5.129  -2.196 -18.259
  460   3HD1  LEU  64          3HD1      LEU  64   4.330  -2.133 -16.689
  461   1HD2  LEU  64          1HD2      LEU  64   6.688  -3.921 -17.436
  462   2HD2  LEU  64          2HD2      LEU  64   6.073  -5.435 -16.773
  463   3HD2  LEU  64          3HD2      LEU  64   5.922  -3.944 -15.847
  464    H    GLY  65           H        GLY  65   1.823  -7.084 -17.758
  465   1HA   GLY  65          2HA       GLY  65   0.914  -6.943 -20.412
  466   2HA   GLY  65          1HA       GLY  65   2.664  -7.106 -20.420
  467    H    ASN  66           H        ASN  66   3.621  -8.978 -19.563
  468    HA   ASN  66           HA       ASN  66   2.287 -11.366 -20.186
  469   1HB   ASN  66          2HB       ASN  66   4.741 -11.151 -20.200
  470   2HB   ASN  66          1HB       ASN  66   4.737 -10.999 -18.447
  471   1HD2  ASN  66          1HD2      ASN  66   5.906 -12.807 -17.999
  472   2HD2  ASN  66          2HD2      ASN  66   5.343 -14.415 -18.309
  473    H    ASN  67           H        ASN  67   3.609 -10.749 -16.926
  474    HA   ASN  67           HA       ASN  67   1.040 -11.192 -15.682
  475   1HB   ASN  67          2HB       ASN  67   1.948 -13.511 -16.175
  476   2HB   ASN  67          1HB       ASN  67   3.275 -13.147 -15.075
  477   1HD2  ASN  67          1HD2      ASN  67   2.720 -14.765 -13.649
  478   2HD2  ASN  67          2HD2      ASN  67   1.313 -14.691 -12.641
  479    H    SER  68           H        SER  68   2.325  -8.951 -15.568
  480    HA   SER  68           HA       SER  68   3.405  -8.771 -12.845
  481   1HB   SER  68          2HB       SER  68   4.557  -7.253 -15.213
  482   2HB   SER  68          1HB       SER  68   5.192  -7.314 -13.568
  483    HG   SER  68           HG       SER  68   5.813  -8.868 -15.606
  484    H    TRP  69           H        TRP  69   3.615  -6.119 -12.552
  485    HA   TRP  69           HA       TRP  69   1.112  -4.991 -13.548
  486   1HB   TRP  69          2HB       TRP  69   1.839  -5.079 -10.617
  487   2HB   TRP  69          1HB       TRP  69   0.498  -4.185 -11.307
  488    HD1  TRP  69           HD       TRP  69  -0.186  -7.103 -13.126
  489    HE1  TRP  69           1HE      TRP  69  -1.638  -8.784 -11.815
  490    HE3  TRP  69           3HE      TRP  69   0.601  -5.312  -8.498
  491    HZ2  TRP  69           2HZ      TRP  69  -2.368  -9.251  -9.107
  492    HZ3  TRP  69           3HZ      TRP  69  -0.475  -6.380  -6.567
  493    HH2  TRP  69           HH       TRP  69  -1.941  -8.324  -6.865
  494    H    THR  70           H        THR  70   1.074  -2.653 -13.323
  495    HA   THR  70           HA       THR  70   3.538  -1.408 -12.361
  496    HB   THR  70           HB       THR  70   3.850  -1.725 -14.804
  497    HG1  THR  70           1HG      THR  70   4.799   0.092 -13.798
  498   1HG2  THR  70          1HG2      THR  70   2.498  -0.427 -16.378
  499   2HG2  THR  70          2HG2      THR  70   1.453   0.095 -15.055
  500   3HG2  THR  70          3HG2      THR  70   1.514  -1.607 -15.512
  501    H    LEU  71           H        LEU  71   3.278   0.741 -11.678
  502    HA   LEU  71           HA       LEU  71   0.502   1.460 -11.127
  503   1HB   LEU  71          2HB       LEU  71   3.126   2.072  -9.906
  504   2HB   LEU  71          1HB       LEU  71   1.931   3.354  -9.848
  505    HG   LEU  71           HG       LEU  71   1.939   1.985  -7.805
  506   1HD1  LEU  71          1HD1      LEU  71  -0.562   1.764  -9.473
  507   2HD1  LEU  71          2HD1      LEU  71  -0.094   3.124  -8.452
  508   3HD1  LEU  71          3HD1      LEU  71  -0.480   1.565  -7.723
  509   1HD2  LEU  71          1HD2      LEU  71   1.116  -0.311  -7.857
  510   2HD2  LEU  71          2HD2      LEU  71   2.596  -0.152  -8.804
  511   3HD2  LEU  71          3HD2      LEU  71   1.035  -0.253  -9.618
  512    H    GLU  72           H        GLU  72  -0.302   2.386 -12.893
  513    HA   GLU  72           HA       GLU  72   1.020   4.833 -13.830
  514   1HB   GLU  72          2HB       GLU  72  -1.033   3.058 -15.089
  515   2HB   GLU  72          1HB       GLU  72  -0.902   4.739 -15.593
  516   1HG   GLU  72          2HG       GLU  72   1.608   4.212 -15.890
  517   2HG   GLU  72          1HG       GLU  72   1.085   2.528 -15.878
  518    HA   PRO  73           HA       PRO  73  -1.834   7.302 -11.520
  519   1HB   PRO  73          2HB       PRO  73  -1.068   9.407 -13.442
  520   2HB   PRO  73          1HB       PRO  73  -0.910   9.384 -11.684
  521   1HG   PRO  73          2HG       PRO  73   1.225   9.154 -13.295
  522   2HG   PRO  73          1HG       PRO  73   1.118   8.283 -11.753
  523   1HD   PRO  73          2HD       PRO  73   0.679   7.273 -14.535
  524   2HD   PRO  73          1HD       PRO  73   1.489   6.483 -13.164
  525    H    ALA  74           H        ALA  74  -3.882   6.876 -11.928
  526    HA   ALA  74           HA       ALA  74  -5.130   8.151 -14.240
  527   1HB   ALA  74          1HB       ALA  74  -6.564   6.203 -14.651
  528   2HB   ALA  74          2HB       ALA  74  -5.696   5.298 -13.409
  529   3HB   ALA  74          3HB       ALA  74  -4.863   5.798 -14.880
  530    HA   PRO  75           HA       PRO  75  -7.020   8.646 -10.043
  531   1HB   PRO  75          2HB       PRO  75  -6.519  11.244  -9.597
  532   2HB   PRO  75          1HB       PRO  75  -5.274  10.011  -9.378
  533   1HG   PRO  75          2HG       PRO  75  -5.640  11.967 -11.590
  534   2HG   PRO  75          1HG       PRO  75  -4.143  11.319 -10.896
  535   1HD   PRO  75          2HD       PRO  75  -5.395  10.459 -13.262
  536   2HD   PRO  75          1HD       PRO  75  -4.100   9.619 -12.391
  537    H    ALA  76           H        ALA  76  -8.813   8.327 -11.850
  538    HA   ALA  76           HA       ALA  76 -10.725   8.985 -12.909
  539   1HB   ALA  76          1HB       ALA  76 -11.463   9.332 -10.615
  540   2HB   ALA  76          2HB       ALA  76 -12.159  10.557 -11.674
  541   3HB   ALA  76          3HB       ALA  76 -10.801  10.965 -10.631
  542    HA   PRO  77           HA       PRO  77  -8.302  12.534 -14.596
  543   1HB   PRO  77          2HB       PRO  77  -7.521  11.201 -16.934
  544   2HB   PRO  77          1HB       PRO  77  -6.574  11.380 -15.458
  545   1HG   PRO  77          2HG       PRO  77  -7.634   8.985 -16.516
  546   2HG   PRO  77          1HG       PRO  77  -6.847   9.211 -14.942
  547   1HD   PRO  77          2HD       PRO  77  -9.735   9.058 -15.610
  548   2HD   PRO  77          1HD       PRO  77  -8.895   8.622 -14.108
  549    H    LYS  78           H        LYS  78 -10.344  13.556 -14.857
  550    HA   LYS  78           HA       LYS  78 -11.815  13.203 -17.319
  551   1HB   LYS  78          2HB       LYS  78 -12.741  13.930 -15.026
  552   2HB   LYS  78          1HB       LYS  78 -12.064  15.507 -15.392
  553   1HG   LYS  78          2HG       LYS  78 -14.310  15.665 -15.996
  554   2HG   LYS  78          1HG       LYS  78 -13.458  15.439 -17.524
  555   1HD   LYS  78          2HD       LYS  78 -14.508  13.049 -16.069
  556   2HD   LYS  78          1HD       LYS  78 -15.629  14.061 -16.977
  557   1HE   LYS  78          2HE       LYS  78 -13.118  12.881 -18.152
  558   2HE   LYS  78          1HE       LYS  78 -14.690  12.084 -18.220
  559   1HZ   LYS  78          1HZ       LYS  78 -13.979  14.717 -19.409
  560   2HZ   LYS  78          2HZ       LYS  78 -15.550  14.081 -19.363
  561   3HZ   LYS  78          3HZ       LYS  78 -14.338  13.283 -20.240
  562    H    GLU  79           H        GLU  79  -9.467  13.536 -18.241
  563    HA   GLU  79           HA       GLU  79  -8.400  16.154 -18.372
  564   1HB   GLU  79          2HB       GLU  79  -7.903  13.808 -20.210
  565   2HB   GLU  79          1HB       GLU  79  -6.883  15.230 -20.047
  566   1HG   GLU  79          2HG       GLU  79  -7.416  13.154 -17.936
  567   2HG   GLU  79          1HG       GLU  79  -5.927  13.363 -18.858
  568    H    ASP  80           H        ASP  80 -10.823  14.484 -20.143
  569    HA   ASP  80           HA       ASP  80 -10.944  16.578 -22.169
  570   1HB   ASP  80          2HB       ASP  80 -11.379  14.367 -23.011
  571   2HB   ASP  80          1HB       ASP  80 -12.560  14.059 -21.742
  Start of MODEL   16
    1   1H    ALA   1          1HT       ALA   1  -7.637 -17.921  -3.933
    2   2H    ALA   1          2HT       ALA   1  -6.433 -18.541  -4.956
    3   3H    ALA   1          3HT       ALA   1  -6.159 -17.104  -4.100
    4    HA   ALA   1           HA       ALA   1  -6.578 -19.757  -2.866
    5   1HB   ALA   1          1HB       ALA   1  -4.198 -19.745  -2.374
    6   2HB   ALA   1          2HB       ALA   1  -4.017 -18.205  -3.214
    7   3HB   ALA   1          3HB       ALA   1  -4.470 -19.651  -4.114
    8    H    GLN   2           H        GLN   2  -7.870 -17.195  -2.285
    9    HA   GLN   2           HA       GLN   2  -8.479 -15.953  -0.506
   10   1HB   GLN   2          2HB       GLN   2  -8.447 -18.028   0.765
   11   2HB   GLN   2          1HB       GLN   2  -6.731 -17.825   1.100
   12   1HG   GLN   2          2HG       GLN   2  -7.913 -17.161   3.042
   13   2HG   GLN   2          1HG       GLN   2  -7.324 -15.689   2.275
   14   1HE2  GLN   2          1HE2      GLN   2 -10.060 -17.543   1.133
   15   2HE2  GLN   2          2HE2      GLN   2 -11.261 -16.362   1.517
   16    H    VAL   3           H        VAL   3  -7.925 -14.013  -0.222
   17    HA   VAL   3           HA       VAL   3  -5.081 -13.259  -0.082
   18    HB   VAL   3           HB       VAL   3  -7.475 -11.520  -0.738
   19   1HG1  VAL   3          1HG1      VAL   3  -5.832  -9.838  -1.387
   20   2HG1  VAL   3          2HG1      VAL   3  -4.522 -10.913  -0.896
   21   3HG1  VAL   3          3HG1      VAL   3  -5.642 -10.279   0.309
   22   1HG2  VAL   3          1HG2      VAL   3  -7.008 -13.176  -2.487
   23   2HG2  VAL   3          2HG2      VAL   3  -5.335 -12.623  -2.560
   24   3HG2  VAL   3          3HG2      VAL   3  -6.643 -11.537  -3.028
   25    H    ASN   4           H        ASN   4  -4.311 -12.220   1.746
   26    HA   ASN   4           HA       ASN   4  -6.273 -11.838   3.896
   27   1HB   ASN   4          2HB       ASN   4  -3.557 -13.161   4.086
   28   2HB   ASN   4          1HB       ASN   4  -4.519 -12.675   5.480
   29   1HD2  ASN   4          1HD2      ASN   4  -4.148 -14.956   2.911
   30   2HD2  ASN   4          2HD2      ASN   4  -5.349 -16.072   3.453
   31    H    ILE   5           H        ILE   5  -6.327  -9.684   3.928
   32    HA   ILE   5           HA       ILE   5  -3.807  -8.280   4.508
   33    HB   ILE   5           HB       ILE   5  -6.030  -7.078   2.834
   34   1HG1  ILE   5          2HG1      ILE   5  -3.384  -8.214   1.892
   35   2HG1  ILE   5          1HG1      ILE   5  -4.960  -8.949   1.619
   36   1HG2  ILE   5          1HG2      ILE   5  -4.391  -5.353   2.323
   37   2HG2  ILE   5          2HG2      ILE   5  -3.189  -6.181   3.313
   38   3HG2  ILE   5          3HG2      ILE   5  -4.623  -5.487   4.070
   39   1HD1  ILE   5          1HD1      ILE   5  -5.624  -7.002   0.293
   40   2HD1  ILE   5          2HD1      ILE   5  -4.193  -7.798  -0.361
   41   3HD1  ILE   5          3HD1      ILE   5  -4.028  -6.294   0.548
   42    H    ALA   6           H        ALA   6  -4.195  -6.256   5.727
   43    HA   ALA   6           HA       ALA   6  -6.727  -5.817   7.006
   44   1HB   ALA   6          1HB       ALA   6  -5.976  -7.847   8.175
   45   2HB   ALA   6          2HB       ALA   6  -6.008  -6.461   9.262
   46   3HB   ALA   6          3HB       ALA   6  -4.473  -7.037   8.615
   47    HA   PRO   7           HA       PRO   7  -5.370  -1.708   8.110
   48   1HB   PRO   7          2HB       PRO   7  -4.763  -2.736  10.862
   49   2HB   PRO   7          1HB       PRO   7  -5.509  -1.206  10.382
   50   1HG   PRO   7          2HG       PRO   7  -7.008  -3.252  11.199
   51   2HG   PRO   7          1HG       PRO   7  -7.542  -2.201   9.875
   52   1HD   PRO   7          2HD       PRO   7  -6.603  -4.996   9.790
   53   2HD   PRO   7          1HD       PRO   7  -7.611  -4.111   8.632
   54    H    GLY   8           H        GLY   8  -3.524  -0.764   7.577
   55   1HA   GLY   8          2HA       GLY   8  -1.080  -0.782   8.657
   56   2HA   GLY   8          1HA       GLY   8  -1.056  -2.267   7.709
   57    H    SER   9           H        SER   9   0.776  -0.737   6.823
   58    HA   SER   9           HA       SER   9   0.009   1.345   5.045
   59   1HB   SER   9          2HB       SER   9   2.514  -0.358   4.987
   60   2HB   SER   9          1HB       SER   9   2.307   1.225   4.244
   61    HG   SER   9           HG       SER   9   3.391   1.146   6.365
   62    H    LEU  10           H        LEU  10  -0.629   1.272   2.909
   63    HA   LEU  10           HA       LEU  10  -1.627  -1.084   1.800
   64   1HB   LEU  10          2HB       LEU  10  -2.368   1.178   1.202
   65   2HB   LEU  10          1HB       LEU  10  -0.815   1.494   0.455
   66    HG   LEU  10           HG       LEU  10  -1.274  -0.277  -1.212
   67   1HD1  LEU  10          1HD1      LEU  10  -4.006  -0.365   0.064
   68   2HD1  LEU  10          2HD1      LEU  10  -2.790  -1.640   0.136
   69   3HD1  LEU  10          3HD1      LEU  10  -3.516  -1.200  -1.410
   70   1HD2  LEU  10          1HD2      LEU  10  -2.972   0.970  -2.466
   71   2HD2  LEU  10          2HD2      LEU  10  -1.782   2.042  -1.733
   72   3HD2  LEU  10          3HD2      LEU  10  -3.378   1.875  -1.009
   73    H    ASP  11           H        ASP  11   1.464   0.544   1.447
   74    HA   ASP  11           HA       ASP  11   2.727  -0.860  -0.519
   75   1HB   ASP  11          2HB       ASP  11   3.988  -0.326   2.177
   76   2HB   ASP  11          1HB       ASP  11   4.800  -0.434   0.619
   77    H    LYS  12           H        LYS  12   2.235  -1.886   2.837
   78    HA   LYS  12           HA       LYS  12   3.681  -4.297   2.692
   79   1HB   LYS  12          2HB       LYS  12   2.933  -2.943   4.733
   80   2HB   LYS  12          1HB       LYS  12   1.355  -3.677   4.517
   81   1HG   LYS  12          2HG       LYS  12   3.843  -5.315   4.886
   82   2HG   LYS  12          1HG       LYS  12   2.912  -4.691   6.244
   83   1HD   LYS  12          2HD       LYS  12   0.897  -5.833   5.167
   84   2HD   LYS  12          1HD       LYS  12   2.065  -6.676   4.151
   85   1HE   LYS  12          2HE       LYS  12   1.933  -6.721   7.160
   86   2HE   LYS  12          1HE       LYS  12   1.495  -8.036   6.073
   87   1HZ   LYS  12          1HZ       LYS  12   4.226  -6.878   6.281
   88   2HZ   LYS  12          2HZ       LYS  12   3.765  -8.249   5.392
   89   3HZ   LYS  12          3HZ       LYS  12   3.715  -8.278   7.087
   90    H    ALA  13           H        ALA  13   0.387  -3.385   1.893
   91    HA   ALA  13           HA       ALA  13  -0.750  -5.982   1.939
   92   1HB   ALA  13          1HB       ALA  13  -2.629  -4.961   0.782
   93   2HB   ALA  13          2HB       ALA  13  -1.662  -3.524   0.446
   94   3HB   ALA  13          3HB       ALA  13  -2.089  -3.931   2.108
   95    H    LEU  14           H        LEU  14   0.058  -3.867  -0.834
   96    HA   LEU  14           HA       LEU  14  -0.172  -5.812  -2.804
   97   1HB   LEU  14          2HB       LEU  14   1.631  -3.393  -2.748
   98   2HB   LEU  14          1HB       LEU  14   1.219  -4.314  -4.183
   99    HG   LEU  14           HG       LEU  14  -0.750  -2.766  -2.487
  100   1HD1  LEU  14          1HD1      LEU  14  -0.868  -1.247  -4.402
  101   2HD1  LEU  14          2HD1      LEU  14   0.403  -2.164  -5.213
  102   3HD1  LEU  14          3HD1      LEU  14   0.757  -1.291  -3.719
  103   1HD2  LEU  14          1HD2      LEU  14  -1.755  -4.725  -3.550
  104   2HD2  LEU  14          2HD2      LEU  14  -1.108  -4.219  -5.111
  105   3HD2  LEU  14          3HD2      LEU  14  -2.328  -3.234  -4.303
  106    H    ASN  15           H        ASN  15   2.619  -4.905  -0.827
  107    HA   ASN  15           HA       ASN  15   4.548  -6.473  -2.135
  108   1HB   ASN  15          2HB       ASN  15   5.119  -4.759  -0.460
  109   2HB   ASN  15          1HB       ASN  15   4.378  -5.739   0.801
  110   1HD2  ASN  15          1HD2      ASN  15   6.274  -5.890   1.978
  111   2HD2  ASN  15          2HD2      ASN  15   7.613  -6.855   1.452
  112    H    GLN  16           H        GLN  16   2.235  -7.230   0.429
  113    HA   GLN  16           HA       GLN  16   3.084  -9.837   0.973
  114   1HB   GLN  16          2HB       GLN  16   1.536  -8.628   2.417
  115   2HB   GLN  16          1HB       GLN  16   0.327  -8.604   1.145
  116   1HG   GLN  16          2HG       GLN  16   1.348 -11.218   2.152
  117   2HG   GLN  16          1HG       GLN  16   0.171 -10.315   3.104
  118   1HE2  GLN  16          1HE2      GLN  16  -1.106  -9.205   0.711
  119   2HE2  GLN  16          2HE2      GLN  16  -2.035 -10.492   0.032
  120    H    TYR  17           H        TYR  17   0.804  -8.598  -1.507
  121    HA   TYR  17           HA       TYR  17   0.026 -11.203  -2.374
  122   1HB   TYR  17          2HB       TYR  17  -1.167  -8.904  -2.741
  123   2HB   TYR  17          1HB       TYR  17  -0.086  -8.754  -4.123
  124    HD1  TYR  17           1HD      TYR  17  -0.101 -10.822  -5.787
  125    HD2  TYR  17           2HD      TYR  17  -3.221  -9.923  -3.027
  126    HE1  TYR  17           1HE      TYR  17  -1.668 -12.163  -7.121
  127    HE2  TYR  17           2HE      TYR  17  -4.792 -11.255  -4.365
  128    HH   TYR  17           HH       TYR  17  -5.045 -12.097  -6.629
  129    H    ALA  18           H        ALA  18   2.331  -8.751  -3.486
  130    HA   ALA  18           HA       ALA  18   3.401 -10.012  -5.689
  131   1HB   ALA  18          1HB       ALA  18   4.849  -8.315  -3.658
  132   2HB   ALA  18          2HB       ALA  18   3.971  -7.735  -5.074
  133   3HB   ALA  18          3HB       ALA  18   5.433  -8.698  -5.278
  134    H    ALA  19           H        ALA  19   4.444 -10.344  -2.304
  135    HA   ALA  19           HA       ALA  19   6.541 -12.160  -2.825
  136   1HB   ALA  19          1HB       ALA  19   4.960 -11.802  -0.282
  137   2HB   ALA  19          2HB       ALA  19   6.369 -10.853  -0.758
  138   3HB   ALA  19          3HB       ALA  19   6.535 -12.579  -0.433
  139    H    HIS  20           H        HIS  20   3.118 -12.572  -2.558
  140    HA   HIS  20           HA       HIS  20   2.983 -15.241  -1.731
  141   1HB   HIS  20          2HB       HIS  20   1.061 -13.673  -1.802
  142   2HB   HIS  20          1HB       HIS  20   1.073 -13.766  -3.559
  143    HD1  HIS  20           1HD      HIS  20   0.184 -15.742  -0.494
  144    HD2  HIS  20           2HD      HIS  20  -0.127 -16.037  -4.635
  145    HE1  HIS  20           1HE      HIS  20  -1.349 -17.692  -0.927
  146    HE2  HIS  20           2HE      HIS  20  -1.326 -17.991  -3.430
  147    H    SER  21           H        SER  21   2.986 -13.915  -5.067
  148    HA   SER  21           HA       SER  21   3.455 -16.656  -6.010
  149   1HB   SER  21          2HB       SER  21   2.475 -14.280  -7.604
  150   2HB   SER  21          1HB       SER  21   2.542 -15.961  -8.140
  151    HG   SER  21           HG       SER  21   0.558 -15.988  -7.403
  152    H    GLY  22           H        GLY  22   5.116 -13.917  -5.333
  153   1HA   GLY  22          2HA       GLY  22   7.291 -13.302  -5.691
  154   2HA   GLY  22          1HA       GLY  22   7.531 -14.909  -6.356
  155    H    PHE  23           H        PHE  23   5.580 -12.154  -7.497
  156    HA   PHE  23           HA       PHE  23   6.943 -12.413 -10.093
  157   1HB   PHE  23          2HB       PHE  23   4.922 -11.064 -10.913
  158   2HB   PHE  23          1HB       PHE  23   4.619 -12.727 -10.418
  159    HD1  PHE  23           1HD      PHE  23   3.130 -13.219  -8.668
  160    HD2  PHE  23           2HD      PHE  23   4.356  -9.207  -9.356
  161    HE1  PHE  23           1HE      PHE  23   1.397 -12.424  -7.114
  162    HE2  PHE  23           2HE      PHE  23   2.628  -8.405  -7.806
  163    HZ   PHE  23           HZ       PHE  23   1.183 -10.054  -6.624
  164    H    THR  24           H        THR  24   6.966 -10.239 -11.327
  165    HA   THR  24           HA       THR  24   8.317  -8.327  -9.612
  166    HB   THR  24           HB       THR  24   8.059  -8.328 -12.626
  167    HG1  THR  24           1HG      THR  24  10.444  -8.947 -12.201
  168   1HG2  THR  24          1HG2      THR  24   9.977  -6.789 -12.545
  169   2HG2  THR  24          2HG2      THR  24   9.901  -6.793 -10.784
  170   3HG2  THR  24          3HG2      THR  24   8.569  -6.117 -11.722
  171    H    LEU  25           H        LEU  25   6.978  -6.993  -8.598
  172    HA   LEU  25           HA       LEU  25   4.772  -5.729 -10.033
  173   1HB   LEU  25          2HB       LEU  25   4.813  -6.612  -7.562
  174   2HB   LEU  25          1HB       LEU  25   5.567  -5.066  -7.228
  175    HG   LEU  25           HG       LEU  25   2.901  -5.321  -8.609
  176   1HD1  LEU  25          1HD1      LEU  25   2.792  -6.356  -6.414
  177   2HD1  LEU  25          2HD1      LEU  25   1.890  -4.842  -6.453
  178   3HD1  LEU  25          3HD1      LEU  25   3.475  -4.904  -5.686
  179   1HD2  LEU  25          1HD2      LEU  25   4.242  -3.017  -7.200
  180   2HD2  LEU  25          2HD2      LEU  25   2.625  -2.996  -7.899
  181   3HD2  LEU  25          3HD2      LEU  25   4.033  -3.188  -8.942
  182    H    SER  26           H        SER  26   5.001  -3.798 -10.977
  183    HA   SER  26           HA       SER  26   7.515  -2.355 -10.520
  184   1HB   SER  26          2HB       SER  26   7.086  -3.093 -12.842
  185   2HB   SER  26          1HB       SER  26   5.594  -2.154 -12.855
  186    HG   SER  26           HG       SER  26   8.198  -1.335 -13.166
  187    H    VAL  27           H        VAL  27   7.160  -0.985  -8.890
  188    HA   VAL  27           HA       VAL  27   5.144   1.088  -9.302
  189    HB   VAL  27           HB       VAL  27   4.088  -0.503  -7.779
  190   1HG1  VAL  27          1HG1      VAL  27   6.478  -0.072  -5.997
  191   2HG1  VAL  27          2HG1      VAL  27   6.072  -1.556  -6.855
  192   3HG1  VAL  27          3HG1      VAL  27   5.022  -0.971  -5.564
  193   1HG2  VAL  27          1HG2      VAL  27   3.595   1.003  -5.920
  194   2HG2  VAL  27          2HG2      VAL  27   3.628   1.870  -7.456
  195   3HG2  VAL  27          3HG2      VAL  27   4.993   1.989  -6.344
  196    H    ASP  28           H        ASP  28   5.861   3.072  -8.845
  197    HA   ASP  28           HA       ASP  28   8.597   3.415  -8.014
  198   1HB   ASP  28          2HB       ASP  28   7.551   4.798  -9.802
  199   2HB   ASP  28          1HB       ASP  28   6.498   5.516  -8.586
  200    H    ALA  29           H        ALA  29   9.258   3.678  -6.020
  201    HA   ALA  29           HA       ALA  29   7.598   3.691  -3.766
  202   1HB   ALA  29          1HB       ALA  29   9.913   2.918  -3.725
  203   2HB   ALA  29          2HB       ALA  29   9.619   4.136  -2.482
  204   3HB   ALA  29          3HB       ALA  29  10.475   4.576  -3.962
  205    H    SER  30           H        SER  30   6.076   5.377  -4.156
  206    HA   SER  30           HA       SER  30   6.656   7.795  -2.818
  207   1HB   SER  30          2HB       SER  30   6.280   9.351  -4.747
  208   2HB   SER  30          1HB       SER  30   7.787   8.445  -4.866
  209    HG   SER  30           HG       SER  30   7.092   7.531  -6.624
  210    H    LEU  31           H        LEU  31   4.623   6.214  -5.224
  211    HA   LEU  31           HA       LEU  31   2.326   7.770  -4.849
  212   1HB   LEU  31          2HB       LEU  31   2.553   4.922  -5.812
  213   2HB   LEU  31          1HB       LEU  31   1.132   5.937  -5.985
  214    HG   LEU  31           HG       LEU  31   3.824   6.465  -7.249
  215   1HD1  LEU  31          1HD1      LEU  31   2.679   4.562  -8.249
  216   2HD1  LEU  31          2HD1      LEU  31   2.701   5.942  -9.348
  217   3HD1  LEU  31          3HD1      LEU  31   1.227   5.540  -8.465
  218   1HD2  LEU  31          1HD2      LEU  31   2.617   8.525  -6.720
  219   2HD2  LEU  31          2HD2      LEU  31   1.197   7.912  -7.567
  220   3HD2  LEU  31          3HD2      LEU  31   2.680   8.245  -8.459
  221    H    THR  32           H        THR  32   3.262   4.690  -3.303
  222    HA   THR  32           HA       THR  32   0.777   4.808  -1.768
  223    HB   THR  32           HB       THR  32   1.456   2.508  -0.988
  224    HG1  THR  32           1HG      THR  32   3.587   2.314  -1.377
  225   1HG2  THR  32          1HG2      THR  32   0.858   1.422  -3.110
  226   2HG2  THR  32          2HG2      THR  32   1.139   2.943  -3.960
  227   3HG2  THR  32          3HG2      THR  32  -0.168   2.819  -2.779
  228    H    ARG  33           H        ARG  33   3.732   6.107  -1.378
  229    HA   ARG  33           HA       ARG  33   4.640   5.254   1.111
  230   1HB   ARG  33          2HB       ARG  33   4.867   7.934  -0.246
  231   2HB   ARG  33          1HB       ARG  33   5.677   7.535   1.250
  232   1HG   ARG  33          2HG       ARG  33   6.754   5.616   0.022
  233   2HG   ARG  33          1HG       ARG  33   6.120   6.346  -1.455
  234   1HD   ARG  33          2HD       ARG  33   8.027   7.587   0.519
  235   2HD   ARG  33          1HD       ARG  33   8.389   7.084  -1.130
  236    HE   ARG  33           HE       ARG  33   6.362   8.924  -1.367
  237   1HH1  ARG  33          1HH1      ARG  33   9.577   8.918   0.019
  238   2HH1  ARG  33          2HH1      ARG  33   9.849  10.608  -0.294
  239   1HH2  ARG  33          1HH2      ARG  33   6.721  11.141  -1.795
  240   2HH2  ARG  33          2HH2      ARG  33   8.234  11.864  -1.324
  241    H    GLY  34           H        GLY  34   3.718   5.349   3.036
  242   1HA   GLY  34          2HA       GLY  34   2.819   6.375   4.915
  243   2HA   GLY  34          1HA       GLY  34   2.522   7.816   3.953
  244    H    LYS  35           H        LYS  35   1.338   5.011   2.471
  245    HA   LYS  35           HA       LYS  35  -1.372   5.882   2.999
  246   1HB   LYS  35          2HB       LYS  35  -0.037   4.415   0.920
  247   2HB   LYS  35          1HB       LYS  35  -1.421   3.498   1.500
  248   1HG   LYS  35          2HG       LYS  35  -2.049   4.901  -0.365
  249   2HG   LYS  35          1HG       LYS  35  -2.863   5.431   1.108
  250   1HD   LYS  35          2HD       LYS  35  -1.224   7.216   1.384
  251   2HD   LYS  35          1HD       LYS  35  -0.378   6.676  -0.068
  252   1HE   LYS  35          2HE       LYS  35  -2.392   7.136  -1.394
  253   2HE   LYS  35          1HE       LYS  35  -3.209   7.704   0.062
  254   1HZ   LYS  35          1HZ       LYS  35  -0.752   8.908  -1.099
  255   2HZ   LYS  35          2HZ       LYS  35  -1.595   9.472   0.259
  256   3HZ   LYS  35          3HZ       LYS  35  -2.323   9.527  -1.271
  257    H    GLN  36           H        GLN  36  -3.023   4.554   3.812
  258    HA   GLN  36           HA       GLN  36  -2.184   2.182   5.326
  259   1HB   GLN  36          2HB       GLN  36  -3.932   4.453   6.307
  260   2HB   GLN  36          1HB       GLN  36  -3.796   2.908   7.123
  261   1HG   GLN  36          2HG       GLN  36  -1.503   4.794   6.650
  262   2HG   GLN  36          1HG       GLN  36  -2.443   4.710   8.137
  263   1HE2  GLN  36          1HE2      GLN  36  -0.045   3.188   6.175
  264   2HE2  GLN  36          2HE2      GLN  36   0.437   1.993   7.329
  265    H    SER  37           H        SER  37  -3.675   0.492   5.190
  266    HA   SER  37           HA       SER  37  -6.243   1.104   3.924
  267   1HB   SER  37          2HB       SER  37  -4.690   0.161   2.223
  268   2HB   SER  37          1HB       SER  37  -4.442  -1.244   3.255
  269    HG   SER  37           HG       SER  37  -6.478  -0.703   1.548
  270    H    ASN  38           H        ASN  38  -7.942  -0.030   4.756
  271    HA   ASN  38           HA       ASN  38  -7.546  -1.376   7.251
  272   1HB   ASN  38          2HB       ASN  38  -9.952  -0.643   5.628
  273   2HB   ASN  38          1HB       ASN  38 -10.113  -1.806   6.942
  274   1HD2  ASN  38          1HD2      ASN  38  -7.776   0.786   7.056
  275   2HD2  ASN  38          2HD2      ASN  38  -8.566   1.706   8.293
  276    H    GLY  39           H        GLY  39  -7.268  -2.443   4.124
  277   1HA   GLY  39          2HA       GLY  39  -6.303  -4.588   3.818
  278   2HA   GLY  39          1HA       GLY  39  -7.209  -5.163   5.207
  279    H    LEU  40           H        LEU  40  -7.596  -6.957   3.662
  280    HA   LEU  40           HA       LEU  40 -10.166  -6.749   2.489
  281   1HB   LEU  40          2HB       LEU  40  -8.754  -5.867   0.633
  282   2HB   LEU  40          1HB       LEU  40  -7.815  -7.347   0.678
  283    HG   LEU  40           HG       LEU  40  -9.844  -8.624   0.041
  284   1HD1  LEU  40          1HD1      LEU  40 -11.093  -5.896  -0.262
  285   2HD1  LEU  40          2HD1      LEU  40 -11.528  -7.108   0.939
  286   3HD1  LEU  40          3HD1      LEU  40 -11.811  -7.425  -0.771
  287   1HD2  LEU  40          1HD2      LEU  40  -9.953  -7.809  -2.293
  288   2HD2  LEU  40          2HD2      LEU  40  -8.300  -7.964  -1.690
  289   3HD2  LEU  40          3HD2      LEU  40  -9.055  -6.372  -1.803
  290    H    HIS  41           H        HIS  41 -11.075  -8.858   2.439
  291    HA   HIS  41           HA       HIS  41  -9.244 -11.090   2.873
  292   1HB   HIS  41          2HB       HIS  41  -9.859 -10.145   5.116
  293   2HB   HIS  41          1HB       HIS  41 -11.535 -10.555   4.772
  294    HD1  HIS  41           1HD      HIS  41  -8.363 -11.965   5.993
  295    HD2  HIS  41           2HD      HIS  41 -12.034 -13.389   4.646
  296    HE1  HIS  41           1HE      HIS  41  -8.465 -14.376   6.706
  297    HE2  HIS  41           2HE      HIS  41 -10.614 -15.259   5.724
  298    H    GLY  42           H        GLY  42  -9.805 -12.083   1.035
  299   1HA   GLY  42          2HA       GLY  42 -12.160 -13.693   1.094
  300   2HA   GLY  42          1HA       GLY  42 -12.262 -12.448  -0.148
  301    H    ASP  43           H        ASP  43 -12.281 -15.050  -0.993
  302    HA   ASP  43           HA       ASP  43  -9.555 -15.712  -1.777
  303   1HB   ASP  43          2HB       ASP  43 -11.331 -17.471  -1.245
  304   2HB   ASP  43          1HB       ASP  43 -12.077 -17.036  -2.783
  305    H    TYR  44           H        TYR  44  -8.842 -14.124  -3.083
  306    HA   TYR  44           HA       TYR  44 -10.618 -13.191  -5.233
  307   1HB   TYR  44          2HB       TYR  44  -8.535 -11.850  -3.565
  308   2HB   TYR  44          1HB       TYR  44  -8.845 -11.237  -5.185
  309    HD1  TYR  44           1HD      TYR  44 -10.044 -11.463  -1.784
  310    HD2  TYR  44           2HD      TYR  44 -11.110 -10.345  -5.745
  311    HE1  TYR  44           1HE      TYR  44 -11.957 -10.200  -0.901
  312    HE2  TYR  44           2HE      TYR  44 -13.029  -9.071  -4.877
  313    HH   TYR  44           HH       TYR  44 -13.381  -8.295  -1.605
  314    H    ASP  45           H        ASP  45 -10.053 -13.322  -7.287
  315    HA   ASP  45           HA       ASP  45  -7.585 -14.535  -8.117
  316   1HB   ASP  45          2HB       ASP  45  -9.693 -14.785  -9.406
  317   2HB   ASP  45          1HB       ASP  45  -9.679 -13.060  -9.747
  318    H    VAL  46           H        VAL  46  -6.196 -13.313  -9.786
  319    HA   VAL  46           HA       VAL  46  -4.804 -11.356  -8.442
  320    HB   VAL  46           HB       VAL  46  -4.883 -11.780 -11.432
  321   1HG1  VAL  46          1HG1      VAL  46  -2.814 -10.444  -9.690
  322   2HG1  VAL  46          2HG1      VAL  46  -3.852  -9.654 -10.875
  323   3HG1  VAL  46          3HG1      VAL  46  -2.625 -10.803 -11.405
  324   1HG2  VAL  46          1HG2      VAL  46  -3.053 -12.954  -9.345
  325   2HG2  VAL  46          2HG2      VAL  46  -2.970 -13.232 -11.085
  326   3HG2  VAL  46          3HG2      VAL  46  -4.358 -13.810 -10.165
  327    H    GLU  47           H        GLU  47  -6.630 -10.683 -11.447
  328    HA   GLU  47           HA       GLU  47  -6.300  -7.923 -11.245
  329   1HB   GLU  47          2HB       GLU  47  -6.891  -9.364 -13.275
  330   2HB   GLU  47          1HB       GLU  47  -8.556  -9.246 -12.725
  331   1HG   GLU  47          2HG       GLU  47  -8.307  -6.760 -12.803
  332   2HG   GLU  47          1HG       GLU  47  -6.742  -7.012 -13.575
  333    H    SER  48           H        SER  48  -8.976  -9.994 -10.180
  334    HA   SER  48           HA       SER  48 -10.774  -7.817  -9.739
  335   1HB   SER  48          2HB       SER  48 -11.581 -10.105 -10.196
  336   2HB   SER  48          1HB       SER  48 -10.879 -10.651  -8.673
  337    HG   SER  48           HG       SER  48 -12.329  -8.664  -7.953
  338    H    GLY  49           H        GLY  49  -8.268  -9.346  -7.929
  339   1HA   GLY  49          2HA       GLY  49  -9.192  -8.457  -5.346
  340   2HA   GLY  49          1HA       GLY  49  -7.622  -9.170  -5.709
  341    H    LEU  50           H        LEU  50  -6.978  -7.362  -7.823
  342    HA   LEU  50           HA       LEU  50  -5.797  -5.284  -6.264
  343   1HB   LEU  50          2HB       LEU  50  -5.913  -5.689  -9.254
  344   2HB   LEU  50          1HB       LEU  50  -4.891  -4.526  -8.432
  345    HG   LEU  50           HG       LEU  50  -4.698  -7.525  -8.168
  346   1HD1  LEU  50          1HD1      LEU  50  -2.603  -7.274  -9.384
  347   2HD1  LEU  50          2HD1      LEU  50  -2.904  -5.543  -9.559
  348   3HD1  LEU  50          3HD1      LEU  50  -3.970  -6.708 -10.346
  349   1HD2  LEU  50          1HD2      LEU  50  -3.011  -5.317  -6.996
  350   2HD2  LEU  50          2HD2      LEU  50  -2.621  -7.036  -6.940
  351   3HD2  LEU  50          3HD2      LEU  50  -4.054  -6.430  -6.110
  352    H    GLN  51           H        GLN  51  -8.321  -5.429  -8.748
  353    HA   GLN  51           HA       GLN  51  -8.925  -2.767  -9.051
  354   1HB   GLN  51          2HB       GLN  51  -9.912  -4.508 -10.422
  355   2HB   GLN  51          1HB       GLN  51 -10.781  -5.152  -9.038
  356   1HG   GLN  51          2HG       GLN  51 -12.287  -3.907 -10.437
  357   2HG   GLN  51          1HG       GLN  51 -12.073  -3.068  -8.902
  358   1HE2  GLN  51          1HE2      GLN  51 -12.697  -1.112  -9.727
  359   2HE2  GLN  51          2HE2      GLN  51 -11.715  -0.199 -10.816
  360    H    GLN  52           H        GLN  52 -10.304  -5.006  -6.641
  361    HA   GLN  52           HA       GLN  52 -12.011  -3.077  -5.480
  362   1HB   GLN  52          2HB       GLN  52 -10.921  -5.630  -4.287
  363   2HB   GLN  52          1HB       GLN  52 -12.254  -4.691  -3.629
  364   1HG   GLN  52          2HG       GLN  52 -12.223  -6.014  -6.334
  365   2HG   GLN  52          1HG       GLN  52 -13.007  -6.651  -4.892
  366   1HE2  GLN  52          1HE2      GLN  52 -15.004  -6.668  -5.887
  367   2HE2  GLN  52          2HE2      GLN  52 -15.897  -5.207  -6.196
  368    H    LEU  53           H        LEU  53  -8.712  -4.069  -4.759
  369    HA   LEU  53           HA       LEU  53  -8.380  -2.794  -2.304
  370   1HB   LEU  53          2HB       LEU  53  -6.430  -3.403  -4.505
  371   2HB   LEU  53          1HB       LEU  53  -5.933  -2.655  -3.000
  372    HG   LEU  53           HG       LEU  53  -7.260  -5.358  -3.236
  373   1HD1  LEU  53          1HD1      LEU  53  -4.990  -5.346  -4.155
  374   2HD1  LEU  53          2HD1      LEU  53  -5.078  -6.262  -2.651
  375   3HD1  LEU  53          3HD1      LEU  53  -4.391  -4.639  -2.653
  376   1HD2  LEU  53          1HD2      LEU  53  -6.067  -3.911  -0.874
  377   2HD2  LEU  53          2HD2      LEU  53  -6.644  -5.578  -0.868
  378   3HD2  LEU  53          3HD2      LEU  53  -7.776  -4.254  -1.136
  379    H    LEU  54           H        LEU  54  -8.135  -1.475  -5.573
  380    HA   LEU  54           HA       LEU  54  -7.359   1.115  -4.419
  381   1HB   LEU  54          2HB       LEU  54  -7.093   0.018  -7.204
  382   2HB   LEU  54          1HB       LEU  54  -6.773   1.689  -6.790
  383    HG   LEU  54           HG       LEU  54  -5.278  -0.745  -5.810
  384   1HD1  LEU  54          1HD1      LEU  54  -3.402   0.238  -6.971
  385   2HD1  LEU  54          2HD1      LEU  54  -4.394   1.613  -7.458
  386   3HD1  LEU  54          3HD1      LEU  54  -4.753   0.001  -8.079
  387   1HD2  LEU  54          1HD2      LEU  54  -5.519   0.906  -4.001
  388   2HD2  LEU  54          2HD2      LEU  54  -4.838   2.145  -5.055
  389   3HD2  LEU  54          3HD2      LEU  54  -3.852   0.770  -4.560
  390    H    ASP  55           H        ASP  55 -10.123  -0.177  -4.833
  391    HA   ASP  55           HA       ASP  55 -11.495   1.429  -6.712
  392   1HB   ASP  55          2HB       ASP  55 -12.312  -0.730  -5.820
  393   2HB   ASP  55          1HB       ASP  55 -12.610   0.046  -4.268
  394    H    GLY  56           H        GLY  56 -11.030   3.585  -6.444
  395   1HA   GLY  56          2HA       GLY  56 -12.247   5.540  -5.688
  396   2HA   GLY  56          1HA       GLY  56 -12.340   4.806  -4.097
  397    H    SER  57           H        SER  57  -9.284   4.137  -4.997
  398    HA   SER  57           HA       SER  57  -8.292   6.248  -3.286
  399   1HB   SER  57          2HB       SER  57  -6.129   5.006  -3.463
  400   2HB   SER  57          1HB       SER  57  -7.472   4.007  -2.904
  401    HG   SER  57           HG       SER  57  -6.033   3.171  -4.656
  402    H    GLY  58           H        GLY  58  -8.909   6.148  -6.500
  403   1HA   GLY  58          2HA       GLY  58  -8.336   7.619  -8.182
  404   2HA   GLY  58          1HA       GLY  58  -7.237   8.401  -7.055
  405    H    LEU  59           H        LEU  59  -6.878   5.049  -7.379
  406    HA   LEU  59           HA       LEU  59  -4.614   5.404  -9.220
  407   1HB   LEU  59          2HB       LEU  59  -4.813   3.649  -6.770
  408   2HB   LEU  59          1HB       LEU  59  -3.495   3.609  -7.915
  409    HG   LEU  59           HG       LEU  59  -4.237   5.987  -6.217
  410   1HD1  LEU  59          1HD1      LEU  59  -1.962   4.019  -5.964
  411   2HD1  LEU  59          2HD1      LEU  59  -3.341   4.169  -4.873
  412   3HD1  LEU  59          3HD1      LEU  59  -2.169   5.483  -4.998
  413   1HD2  LEU  59          1HD2      LEU  59  -2.108   6.915  -6.997
  414   2HD2  LEU  59          2HD2      LEU  59  -3.216   6.626  -8.338
  415   3HD2  LEU  59          3HD2      LEU  59  -1.879   5.513  -8.043
  416    H    GLN  60           H        GLN  60  -3.947   3.220 -10.203
  417    HA   GLN  60           HA       GLN  60  -6.008   1.226 -10.301
  418   1HB   GLN  60          2HB       GLN  60  -6.643   2.868 -12.074
  419   2HB   GLN  60          1HB       GLN  60  -5.096   2.550 -12.829
  420   1HG   GLN  60          2HG       GLN  60  -5.733   0.166 -13.038
  421   2HG   GLN  60          1HG       GLN  60  -7.327   0.588 -12.416
  422   1HE2  GLN  60          1HE2      GLN  60  -8.698   1.876 -13.681
  423   2HE2  GLN  60          2HE2      GLN  60  -8.463   2.034 -15.387
  424    H    VAL  61           H        VAL  61  -4.902  -0.636 -10.062
  425    HA   VAL  61           HA       VAL  61  -2.171  -0.722 -11.149
  426    HB   VAL  61           HB       VAL  61  -2.178  -0.991  -8.729
  427   1HG1  VAL  61          1HG1      VAL  61  -3.244  -2.918  -7.654
  428   2HG1  VAL  61          2HG1      VAL  61  -3.979  -3.362  -9.197
  429   3HG1  VAL  61          3HG1      VAL  61  -4.427  -1.846  -8.408
  430   1HG2  VAL  61          1HG2      VAL  61  -0.512  -2.210 -10.036
  431   2HG2  VAL  61          2HG2      VAL  61  -1.597  -3.599 -10.128
  432   3HG2  VAL  61          3HG2      VAL  61  -0.946  -3.087  -8.569
  433    H    LYS  62           H        LYS  62  -1.672  -2.204 -12.659
  434    HA   LYS  62           HA       LYS  62  -3.433  -4.445 -13.117
  435   1HB   LYS  62          2HB       LYS  62  -4.016  -3.912 -15.366
  436   2HB   LYS  62          1HB       LYS  62  -4.465  -2.535 -14.376
  437   1HG   LYS  62          2HG       LYS  62  -2.474  -1.338 -15.136
  438   2HG   LYS  62          1HG       LYS  62  -2.009  -2.733 -16.114
  439   1HD   LYS  62          2HD       LYS  62  -4.342  -2.487 -17.184
  440   2HD   LYS  62          1HD       LYS  62  -4.345  -0.878 -16.466
  441   1HE   LYS  62          2HE       LYS  62  -2.257  -1.944 -18.362
  442   2HE   LYS  62          1HE       LYS  62  -3.583  -0.874 -18.807
  443   1HZ   LYS  62          1HZ       LYS  62  -1.494   0.308 -18.467
  444   2HZ   LYS  62          2HZ       LYS  62  -1.450  -0.210 -16.859
  445   3HZ   LYS  62          3HZ       LYS  62  -2.689   0.826 -17.379
  446    HA   PRO  63           HA       PRO  63   0.315  -6.373 -14.449
  447   1HB   PRO  63          2HB       PRO  63  -1.209  -7.662 -16.631
  448   2HB   PRO  63          1HB       PRO  63  -0.328  -8.397 -15.288
  449   1HG   PRO  63          2HG       PRO  63  -2.998  -8.387 -15.349
  450   2HG   PRO  63          1HG       PRO  63  -2.109  -8.187 -13.827
  451   1HD   PRO  63          2HD       PRO  63  -3.448  -6.119 -15.527
  452   2HD   PRO  63          1HD       PRO  63  -3.422  -6.281 -13.757
  453    H    LEU  64           H        LEU  64   1.911  -6.158 -15.955
  454    HA   LEU  64           HA       LEU  64   1.804  -3.986 -17.766
  455   1HB   LEU  64          2HB       LEU  64   3.792  -6.237 -17.445
  456   2HB   LEU  64          1HB       LEU  64   4.029  -4.892 -18.543
  457    HG   LEU  64           HG       LEU  64   3.664  -4.532 -15.572
  458   1HD1  LEU  64          1HD1      LEU  64   6.228  -4.703 -17.151
  459   2HD1  LEU  64          2HD1      LEU  64   5.650  -5.894 -15.986
  460   3HD1  LEU  64          3HD1      LEU  64   6.087  -4.274 -15.446
  461   1HD2  LEU  64          1HD2      LEU  64   4.725  -2.735 -17.749
  462   2HD2  LEU  64          2HD2      LEU  64   4.670  -2.345 -16.030
  463   3HD2  LEU  64          3HD2      LEU  64   3.172  -2.578 -16.930
  464    H    GLY  65           H        GLY  65   1.202  -7.376 -18.081
  465   1HA   GLY  65          2HA       GLY  65  -0.305  -7.533 -20.269
  466   2HA   GLY  65          1HA       GLY  65   1.301  -7.378 -20.981
  467    H    ASN  66           H        ASN  66   2.380  -8.676 -18.526
  468    HA   ASN  66           HA       ASN  66   1.474 -11.445 -18.901
  469   1HB   ASN  66          2HB       ASN  66   3.863 -12.131 -18.480
  470   2HB   ASN  66          1HB       ASN  66   3.593 -11.316 -20.017
  471   1HD2  ASN  66          1HD2      ASN  66   4.484  -9.326 -20.387
  472   2HD2  ASN  66          2HD2      ASN  66   5.680  -8.626 -19.334
  473    H    ASN  67           H        ASN  67   3.332 -12.407 -16.858
  474    HA   ASN  67           HA       ASN  67   1.651 -11.831 -14.598
  475   1HB   ASN  67          2HB       ASN  67   3.141 -13.473 -13.408
  476   2HB   ASN  67          1HB       ASN  67   2.338 -14.101 -14.840
  477   1HD2  ASN  67          1HD2      ASN  67   5.364 -13.153 -13.430
  478   2HD2  ASN  67          2HD2      ASN  67   6.382 -13.843 -14.650
  479    H    SER  68           H        SER  68   2.922  -9.478 -15.314
  480    HA   SER  68           HA       SER  68   4.226  -8.896 -12.770
  481   1HB   SER  68          2HB       SER  68   5.248  -7.840 -15.436
  482   2HB   SER  68          1HB       SER  68   5.926  -7.507 -13.841
  483    HG   SER  68           HG       SER  68   5.737 -10.177 -14.373
  484    H    TRP  69           H        TRP  69   4.253  -6.283 -12.663
  485    HA   TRP  69           HA       TRP  69   1.574  -5.507 -13.568
  486   1HB   TRP  69          2HB       TRP  69   2.452  -5.471 -10.676
  487   2HB   TRP  69          1HB       TRP  69   0.976  -4.756 -11.292
  488    HD1  TRP  69           HD       TRP  69   0.834  -7.805 -13.120
  489    HE1  TRP  69           1HE      TRP  69  -0.405  -9.667 -11.822
  490    HE3  TRP  69           3HE      TRP  69   1.012  -5.761  -8.494
  491    HZ2  TRP  69           2HZ      TRP  69  -1.229 -10.150  -9.154
  492    HZ3  TRP  69           3HZ      TRP  69  -0.028  -6.950  -6.600
  493    HH2  TRP  69           HH       TRP  69  -1.124  -9.110  -6.931
  494    H    THR  70           H        THR  70   1.114  -3.207 -13.103
  495    HA   THR  70           HA       THR  70   3.390  -1.591 -12.253
  496    HB   THR  70           HB       THR  70   3.594  -1.624 -14.711
  497    HG1  THR  70           1HG      THR  70   4.162   0.311 -13.664
  498   1HG2  THR  70          1HG2      THR  70   1.264  -2.053 -15.291
  499   2HG2  THR  70          2HG2      THR  70   1.853  -0.610 -16.118
  500   3HG2  THR  70          3HG2      THR  70   0.810  -0.452 -14.704
  501    H    LEU  71           H        LEU  71   2.756   0.306 -11.205
  502    HA   LEU  71           HA       LEU  71  -0.114   0.504 -10.702
  503   1HB   LEU  71          2HB       LEU  71   1.472   0.533  -8.794
  504   2HB   LEU  71          1HB       LEU  71   2.171   2.012  -9.422
  505    HG   LEU  71           HG       LEU  71   0.076   3.199  -9.061
  506   1HD1  LEU  71          1HD1      LEU  71  -0.951   0.587  -7.958
  507   2HD1  LEU  71          2HD1      LEU  71  -1.466   1.350  -9.463
  508   3HD1  LEU  71          3HD1      LEU  71  -1.796   2.135  -7.916
  509   1HD2  LEU  71          1HD2      LEU  71   0.948   1.632  -6.641
  510   2HD2  LEU  71          2HD2      LEU  71   0.050   3.149  -6.620
  511   3HD2  LEU  71          3HD2      LEU  71   1.700   3.110  -7.244
  512    H    GLU  72           H        GLU  72  -1.027   1.459 -12.342
  513    HA   GLU  72           HA       GLU  72   0.166   3.806 -13.578
  514   1HB   GLU  72          2HB       GLU  72  -0.703   1.976 -14.972
  515   2HB   GLU  72          1HB       GLU  72  -2.309   2.238 -14.309
  516   1HG   GLU  72          2HG       GLU  72  -2.510   4.334 -15.379
  517   2HG   GLU  72          1HG       GLU  72  -0.798   4.360 -15.801
  518    HA   PRO  73           HA       PRO  73  -2.548   6.542 -11.322
  519   1HB   PRO  73          2HB       PRO  73  -1.701   8.562 -13.265
  520   2HB   PRO  73          1HB       PRO  73  -1.446   8.523 -11.519
  521   1HG   PRO  73          2HG       PRO  73   0.566   8.172 -13.293
  522   2HG   PRO  73          1HG       PRO  73   0.543   7.379 -11.707
  523   1HD   PRO  73          2HD       PRO  73  -0.132   6.262 -14.399
  524   2HD   PRO  73          1HD       PRO  73   0.743   5.506 -13.052
  525    H    ALA  74           H        ALA  74  -4.617   6.198 -11.771
  526    HA   ALA  74           HA       ALA  74  -5.790   7.381 -14.143
  527   1HB   ALA  74          1HB       ALA  74  -6.994   5.373 -14.803
  528   2HB   ALA  74          2HB       ALA  74  -6.208   4.456 -13.520
  529   3HB   ALA  74          3HB       ALA  74  -5.255   5.085 -14.864
  530    HA   PRO  75           HA       PRO  75  -8.154   7.666 -10.230
  531   1HB   PRO  75          2HB       PRO  75  -8.141  10.319  -9.921
  532   2HB   PRO  75          1HB       PRO  75  -6.703   9.354  -9.564
  533   1HG   PRO  75          2HG       PRO  75  -7.304  11.061 -11.935
  534   2HG   PRO  75          1HG       PRO  75  -5.764  10.801 -11.096
  535   1HD   PRO  75          2HD       PRO  75  -6.595   9.529 -13.457
  536   2HD   PRO  75          1HD       PRO  75  -5.251   9.022 -12.414
  537    H    ALA  76           H        ALA  76  -9.262   7.365 -12.902
  538    HA   ALA  76           HA       ALA  76 -11.050   7.819 -14.228
  539   1HB   ALA  76          1HB       ALA  76 -12.254   8.844 -11.654
  540   2HB   ALA  76          2HB       ALA  76 -12.288   7.169 -12.211
  541   3HB   ALA  76          3HB       ALA  76 -13.144   8.420 -13.116
  542    HA   PRO  77           HA       PRO  77  -9.532  12.242 -13.977
  543   1HB   PRO  77          2HB       PRO  77  -8.023  12.304 -16.224
  544   2HB   PRO  77          1HB       PRO  77  -7.419  11.705 -14.676
  545   1HG   PRO  77          2HG       PRO  77  -8.363  10.187 -17.060
  546   2HG   PRO  77          1HG       PRO  77  -7.020   9.835 -15.957
  547   1HD   PRO  77          2HD       PRO  77  -9.476   8.618 -15.845
  548   2HD   PRO  77          1HD       PRO  77  -8.372   8.770 -14.465
  549    H    LYS  78           H        LYS  78 -11.415  13.251 -14.357
  550    HA   LYS  78           HA       LYS  78 -13.173  14.205 -15.418
  551   1HB   LYS  78          2HB       LYS  78 -11.241  14.175 -17.751
  552   2HB   LYS  78          1HB       LYS  78 -12.790  14.998 -17.778
  553   1HG   LYS  78          2HG       LYS  78 -11.198  16.661 -17.330
  554   2HG   LYS  78          1HG       LYS  78 -11.966  16.324 -15.779
  555   1HD   LYS  78          2HD       LYS  78 -10.090  14.960 -15.105
  556   2HD   LYS  78          1HD       LYS  78  -9.344  15.146 -16.693
  557   1HE   LYS  78          2HE       LYS  78  -9.868  17.353 -14.706
  558   2HE   LYS  78          1HE       LYS  78  -8.305  16.615 -15.048
  559   1HZ   LYS  78          1HZ       LYS  78  -9.953  18.294 -16.857
  560   2HZ   LYS  78          2HZ       LYS  78  -8.634  17.375 -17.403
  561   3HZ   LYS  78          3HZ       LYS  78  -8.393  18.615 -16.272
  562    H    GLU  79           H        GLU  79 -13.056  11.355 -15.262
  563    HA   GLU  79           HA       GLU  79 -13.979  10.380 -17.843
  564   1HB   GLU  79          2HB       GLU  79 -12.296   9.128 -16.438
  565   2HB   GLU  79          1HB       GLU  79 -13.595   8.798 -15.299
  566   1HG   GLU  79          2HG       GLU  79 -14.806   7.552 -16.941
  567   2HG   GLU  79          1HG       GLU  79 -13.654   8.001 -18.198
  568    H    ASP  80           H        ASP  80 -15.813  11.986 -17.344
  569    HA   ASP  80           HA       ASP  80 -18.089  10.302 -16.716
  570   1HB   ASP  80          2HB       ASP  80 -17.652  11.445 -14.574
  571   2HB   ASP  80          1HB       ASP  80 -17.736  13.004 -15.391
  Start of MODEL   17
    1   1H    ALA   1          1HT       ALA   1  -7.034 -20.058  -5.795
    2   2H    ALA   1          2HT       ALA   1  -8.038 -19.463  -4.560
    3   3H    ALA   1          3HT       ALA   1  -6.521 -20.112  -4.183
    4    HA   ALA   1           HA       ALA   1  -5.372 -18.332  -5.125
    5   1HB   ALA   1          1HB       ALA   1  -8.019 -17.364  -6.198
    6   2HB   ALA   1          2HB       ALA   1  -6.764 -18.166  -7.142
    7   3HB   ALA   1          3HB       ALA   1  -6.451 -16.588  -6.421
    8    H    GLN   2           H        GLN   2  -6.151 -18.824  -2.575
    9    HA   GLN   2           HA       GLN   2  -7.677 -16.603  -1.546
   10   1HB   GLN   2          2HB       GLN   2  -7.446 -17.607   0.608
   11   2HB   GLN   2          1HB       GLN   2  -7.786 -18.889  -0.542
   12   1HG   GLN   2          2HG       GLN   2  -4.964 -18.273   0.213
   13   2HG   GLN   2          1HG       GLN   2  -5.983 -19.213   1.296
   14   1HE2  GLN   2          1HE2      GLN   2  -4.714 -21.020   1.077
   15   2HE2  GLN   2          2HE2      GLN   2  -4.704 -21.989  -0.361
   16    H    VAL   3           H        VAL   3  -6.899 -15.067  -0.083
   17    HA   VAL   3           HA       VAL   3  -4.044 -14.692   0.181
   18    HB   VAL   3           HB       VAL   3  -4.559 -13.626  -1.986
   19   1HG1  VAL   3          1HG1      VAL   3  -5.953 -11.621  -2.087
   20   2HG1  VAL   3          2HG1      VAL   3  -6.415 -11.859  -0.401
   21   3HG1  VAL   3          3HG1      VAL   3  -6.880 -13.047  -1.620
   22   1HG2  VAL   3          1HG2      VAL   3  -2.769 -12.720  -0.611
   23   2HG2  VAL   3          2HG2      VAL   3  -3.912 -11.638   0.184
   24   3HG2  VAL   3          3HG2      VAL   3  -3.566 -11.449  -1.535
   25    H    ASN   4           H        ASN   4  -3.552 -12.960   1.774
   26    HA   ASN   4           HA       ASN   4  -5.858 -12.367   3.491
   27   1HB   ASN   4          2HB       ASN   4  -4.553 -14.251   4.456
   28   2HB   ASN   4          1HB       ASN   4  -3.124 -13.223   4.469
   29   1HD2  ASN   4          1HD2      ASN   4  -6.206 -13.868   5.918
   30   2HD2  ASN   4          2HD2      ASN   4  -5.998 -12.860   7.309
   31    H    ILE   5           H        ILE   5  -6.087 -10.255   3.374
   32    HA   ILE   5           HA       ILE   5  -3.725  -8.546   3.744
   33    HB   ILE   5           HB       ILE   5  -5.995  -7.971   1.816
   34   1HG1  ILE   5          2HG1      ILE   5  -3.099  -8.658   1.255
   35   2HG1  ILE   5          1HG1      ILE   5  -4.467  -9.730   0.991
   36   1HG2  ILE   5          1HG2      ILE   5  -5.105  -5.952   2.848
   37   2HG2  ILE   5          2HG2      ILE   5  -4.650  -6.030   1.145
   38   3HG2  ILE   5          3HG2      ILE   5  -3.469  -6.426   2.396
   39   1HD1  ILE   5          1HD1      ILE   5  -3.717  -8.730  -1.083
   40   2HD1  ILE   5          2HD1      ILE   5  -3.974  -7.119  -0.413
   41   3HD1  ILE   5          3HD1      ILE   5  -5.349  -8.192  -0.681
   42    H    ALA   6           H        ALA   6  -4.210  -6.541   4.797
   43    HA   ALA   6           HA       ALA   6  -6.788  -6.083   5.983
   44   1HB   ALA   6          1HB       ALA   6  -6.083  -6.531   8.294
   45   2HB   ALA   6          2HB       ALA   6  -4.522  -7.106   7.716
   46   3HB   ALA   6          3HB       ALA   6  -5.991  -7.996   7.319
   47    HA   PRO   7           HA       PRO   7  -5.647  -1.877   6.725
   48   1HB   PRO   7          2HB       PRO   7  -4.897  -2.516   9.560
   49   2HB   PRO   7          1HB       PRO   7  -5.783  -1.125   8.924
   50   1HG   PRO   7          2HG       PRO   7  -7.091  -3.161  10.032
   51   2HG   PRO   7          1HG       PRO   7  -7.732  -2.340   8.596
   52   1HD   PRO   7          2HD       PRO   7  -6.521  -5.028   8.851
   53   2HD   PRO   7          1HD       PRO   7  -7.672  -4.417   7.648
   54    H    GLY   8           H        GLY   8  -3.876  -0.716   6.246
   55   1HA   GLY   8          2HA       GLY   8  -1.363  -0.631   7.068
   56   2HA   GLY   8          1HA       GLY   8  -1.357  -2.152   6.177
   57    H    SER   9           H        SER   9   0.282  -0.179   5.285
   58    HA   SER   9           HA       SER   9  -0.929   1.587   3.415
   59   1HB   SER   9          2HB       SER   9   1.427   1.702   4.503
   60   2HB   SER   9          1HB       SER   9   1.912   0.602   3.215
   61    HG   SER   9           HG       SER   9   1.969   2.232   1.905
   62    H    LEU  10           H        LEU  10  -1.227   1.403   1.220
   63    HA   LEU  10           HA       LEU  10  -2.117  -1.077   0.309
   64   1HB   LEU  10          2HB       LEU  10  -2.991   1.081  -0.452
   65   2HB   LEU  10          1HB       LEU  10  -1.455   1.448  -1.212
   66    HG   LEU  10           HG       LEU  10  -1.806  -0.473  -2.758
   67   1HD1  LEU  10          1HD1      LEU  10  -3.293  -1.801  -1.355
   68   2HD1  LEU  10          2HD1      LEU  10  -4.038  -1.459  -2.918
   69   3HD1  LEU  10          3HD1      LEU  10  -4.538  -0.562  -1.484
   70   1HD2  LEU  10          1HD2      LEU  10  -2.391   1.821  -3.397
   71   2HD2  LEU  10          2HD2      LEU  10  -4.011   1.586  -2.741
   72   3HD2  LEU  10          3HD2      LEU  10  -3.480   0.641  -4.130
   73    H    ASP  11           H        ASP  11   0.885   0.677  -0.308
   74    HA   ASP  11           HA       ASP  11   1.991  -0.921  -2.265
   75   1HB   ASP  11          2HB       ASP  11   4.228  -0.272  -1.232
   76   2HB   ASP  11          1HB       ASP  11   3.158   1.042  -1.689
   77    H    LYS  12           H        LYS  12   2.308  -1.366   1.283
   78    HA   LYS  12           HA       LYS  12   3.679  -3.810   1.122
   79   1HB   LYS  12          2HB       LYS  12   3.476  -2.397   3.177
   80   2HB   LYS  12          1HB       LYS  12   1.797  -2.903   3.311
   81   1HG   LYS  12          2HG       LYS  12   2.708  -5.290   3.338
   82   2HG   LYS  12          1HG       LYS  12   4.279  -4.551   3.648
   83   1HD   LYS  12          2HD       LYS  12   3.257  -3.380   5.603
   84   2HD   LYS  12          1HD       LYS  12   1.788  -4.316   5.328
   85   1HE   LYS  12          2HE       LYS  12   4.522  -5.362   6.050
   86   2HE   LYS  12          1HE       LYS  12   3.069  -5.395   7.045
   87   1HZ   LYS  12          1HZ       LYS  12   3.612  -6.957   4.578
   88   2HZ   LYS  12          2HZ       LYS  12   2.074  -6.851   5.278
   89   3HZ   LYS  12          3HZ       LYS  12   3.345  -7.550   6.146
   90    H    ALA  13           H        ALA  13   0.259  -3.000   0.973
   91    HA   ALA  13           HA       ALA  13  -0.772  -5.585   1.505
   92   1HB   ALA  13          1HB       ALA  13  -2.147  -3.565   1.635
   93   2HB   ALA  13          2HB       ALA  13  -2.847  -4.742   0.525
   94   3HB   ALA  13          3HB       ALA  13  -1.990  -3.335  -0.107
   95    H    LEU  14           H        LEU  14  -0.310  -3.834  -1.571
   96    HA   LEU  14           HA       LEU  14  -0.735  -5.932  -3.326
   97   1HB   LEU  14          2HB       LEU  14   1.231  -3.649  -3.576
   98   2HB   LEU  14          1HB       LEU  14   0.686  -4.661  -4.899
   99    HG   LEU  14           HG       LEU  14  -1.145  -2.900  -3.273
  100   1HD1  LEU  14          1HD1      LEU  14   0.090  -2.400  -5.979
  101   2HD1  LEU  14          2HD1      LEU  14   0.502  -1.558  -4.485
  102   3HD1  LEU  14          3HD1      LEU  14  -1.110  -1.385  -5.179
  103   1HD2  LEU  14          1HD2      LEU  14  -2.241  -4.804  -4.348
  104   2HD2  LEU  14          2HD2      LEU  14  -1.527  -4.346  -5.895
  105   3HD2  LEU  14          3HD2      LEU  14  -2.701  -3.287  -5.116
  106    H    ASN  15           H        ASN  15   2.174  -5.041  -1.540
  107    HA   ASN  15           HA       ASN  15   3.979  -6.782  -2.799
  108   1HB   ASN  15          2HB       ASN  15   4.869  -5.056  -1.419
  109   2HB   ASN  15          1HB       ASN  15   3.927  -5.581  -0.028
  110   1HD2  ASN  15          1HD2      ASN  15   6.668  -6.309  -2.073
  111   2HD2  ASN  15          2HD2      ASN  15   7.450  -7.381  -0.969
  112    H    GLN  16           H        GLN  16   1.743  -7.289  -0.092
  113    HA   GLN  16           HA       GLN  16   2.642  -9.836   0.634
  114   1HB   GLN  16          2HB       GLN  16  -0.186  -8.777   0.789
  115   2HB   GLN  16          1HB       GLN  16   0.483 -10.106   1.724
  116   1HG   GLN  16          2HG       GLN  16   2.093  -8.499   2.728
  117   2HG   GLN  16          1HG       GLN  16   1.243  -7.204   1.894
  118   1HE2  GLN  16          1HE2      GLN  16  -1.343  -8.638   2.311
  119   2HE2  GLN  16          2HE2      GLN  16  -1.757  -8.346   3.967
  120    H    TYR  17           H        TYR  17   0.313  -8.793  -1.859
  121    HA   TYR  17           HA       TYR  17  -0.498 -11.427  -2.583
  122   1HB   TYR  17          2HB       TYR  17  -1.560  -9.085  -3.133
  123   2HB   TYR  17          1HB       TYR  17  -0.466  -9.120  -4.503
  124    HD1  TYR  17           1HD      TYR  17  -0.593 -11.169  -6.064
  125    HD2  TYR  17           2HD      TYR  17  -3.649 -10.164  -3.278
  126    HE1  TYR  17           1HE      TYR  17  -2.192 -12.536  -7.333
  127    HE2  TYR  17           2HE      TYR  17  -5.253 -11.529  -4.541
  128    HH   TYR  17           HH       TYR  17  -5.581 -12.475  -6.712
  129    H    ALA  18           H        ALA  18   1.838  -9.088  -3.787
  130    HA   ALA  18           HA       ALA  18   2.965 -10.453  -5.895
  131   1HB   ALA  18          1HB       ALA  18   4.970  -9.137  -5.540
  132   2HB   ALA  18          2HB       ALA  18   4.456  -8.758  -3.897
  133   3HB   ALA  18          3HB       ALA  18   3.535  -8.146  -5.272
  134    H    ALA  19           H        ALA  19   3.823 -10.715  -2.466
  135    HA   ALA  19           HA       ALA  19   5.895 -12.598  -2.787
  136   1HB   ALA  19          1HB       ALA  19   5.696 -12.962  -0.403
  137   2HB   ALA  19          2HB       ALA  19   4.124 -12.163  -0.388
  138   3HB   ALA  19          3HB       ALA  19   5.579 -11.241  -0.766
  139    H    HIS  20           H        HIS  20   2.437 -12.908  -2.656
  140    HA   HIS  20           HA       HIS  20   2.205 -15.583  -1.879
  141   1HB   HIS  20          2HB       HIS  20   0.311 -14.043  -1.894
  142   2HB   HIS  20          1HB       HIS  20   0.385 -13.931  -3.647
  143    HD1  HIS  20           1HD      HIS  20  -0.339 -16.502  -0.939
  144    HD2  HIS  20           2HD      HIS  20  -1.178 -15.741  -4.945
  145    HE1  HIS  20           1HE      HIS  20  -2.025 -18.243  -1.628
  146    HE2  HIS  20           2HE      HIS  20  -2.645 -17.645  -3.999
  147    H    SER  21           H        SER  21   2.165 -14.251  -5.227
  148    HA   SER  21           HA       SER  21   2.541 -16.994  -6.178
  149   1HB   SER  21          2HB       SER  21   1.820 -14.497  -7.723
  150   2HB   SER  21          1HB       SER  21   1.879 -16.135  -8.375
  151    HG   SER  21           HG       SER  21  -0.007 -16.524  -7.535
  152    H    GLY  22           H        GLY  22   4.364 -14.297  -5.506
  153   1HA   GLY  22          2HA       GLY  22   6.588 -13.834  -5.832
  154   2HA   GLY  22          1HA       GLY  22   6.740 -15.417  -6.572
  155    H    PHE  23           H        PHE  23   5.063 -12.390  -7.442
  156    HA   PHE  23           HA       PHE  23   6.416 -12.551 -10.053
  157   1HB   PHE  23          2HB       PHE  23   4.519 -11.011 -10.819
  158   2HB   PHE  23          1HB       PHE  23   4.108 -12.692 -10.525
  159    HD1  PHE  23           1HD      PHE  23   2.586 -13.315  -8.855
  160    HD2  PHE  23           2HD      PHE  23   3.866  -9.274  -9.197
  161    HE1  PHE  23           1HE      PHE  23   0.791 -12.626  -7.327
  162    HE2  PHE  23           2HE      PHE  23   2.077  -8.578  -7.667
  163    HZ   PHE  23           HZ       PHE  23   0.536 -10.255  -6.731
  164    H    THR  24           H        THR  24   6.744 -10.375 -11.093
  165    HA   THR  24           HA       THR  24   8.135  -8.706  -9.169
  166    HB   THR  24           HB       THR  24   8.045  -8.414 -12.177
  167    HG1  THR  24           1HG      THR  24   9.017 -10.320 -12.026
  168   1HG2  THR  24          1HG2      THR  24  10.165  -7.236 -11.877
  169   2HG2  THR  24          2HG2      THR  24  10.056  -7.463 -10.132
  170   3HG2  THR  24          3HG2      THR  24   8.879  -6.449 -10.966
  171    H    LEU  25           H        LEU  25   7.095  -7.125  -8.219
  172    HA   LEU  25           HA       LEU  25   4.905  -5.722  -9.582
  173   1HB   LEU  25          2HB       LEU  25   4.942  -6.746  -7.125
  174   2HB   LEU  25          1HB       LEU  25   5.639  -5.182  -6.752
  175    HG   LEU  25           HG       LEU  25   2.992  -5.544  -8.156
  176   1HD1  LEU  25          1HD1      LEU  25   3.572  -5.000  -5.256
  177   2HD1  LEU  25          2HD1      LEU  25   2.903  -6.485  -5.929
  178   3HD1  LEU  25          3HD1      LEU  25   1.979  -4.987  -6.015
  179   1HD2  LEU  25          1HD2      LEU  25   4.213  -3.129  -6.819
  180   2HD2  LEU  25          2HD2      LEU  25   2.627  -3.210  -7.587
  181   3HD2  LEU  25          3HD2      LEU  25   4.090  -3.382  -8.560
  182    H    SER  26           H        SER  26   5.104  -3.594 -10.138
  183    HA   SER  26           HA       SER  26   7.663  -2.269  -9.569
  184   1HB   SER  26          2HB       SER  26   5.518  -1.538 -11.578
  185   2HB   SER  26          1HB       SER  26   7.068  -0.724 -11.390
  186    HG   SER  26           HG       SER  26   8.044  -2.810 -11.864
  187    H    VAL  27           H        VAL  27   7.414  -1.390  -7.568
  188    HA   VAL  27           HA       VAL  27   5.419   0.712  -7.276
  189    HB   VAL  27           HB       VAL  27   4.382  -1.351  -6.346
  190   1HG1  VAL  27          1HG1      VAL  27   6.364  -2.509  -5.588
  191   2HG1  VAL  27          2HG1      VAL  27   5.240  -2.288  -4.245
  192   3HG1  VAL  27          3HG1      VAL  27   6.663  -1.258  -4.382
  193   1HG2  VAL  27          1HG2      VAL  27   3.704   0.805  -5.482
  194   2HG2  VAL  27          2HG2      VAL  27   5.031   0.784  -4.319
  195   3HG2  VAL  27          3HG2      VAL  27   3.721  -0.389  -4.182
  196    H    ASP  28           H        ASP  28   5.986   2.273  -5.699
  197    HA   ASP  28           HA       ASP  28   8.689   2.019  -4.573
  198   1HB   ASP  28          2HB       ASP  28   8.807   3.440  -6.582
  199   2HB   ASP  28          1HB       ASP  28   7.556   4.485  -5.915
  200    H    ALA  29           H        ALA  29   8.671   2.275  -2.467
  201    HA   ALA  29           HA       ALA  29   6.458   3.076  -0.935
  202   1HB   ALA  29          1HB       ALA  29   9.342   2.968  -0.069
  203   2HB   ALA  29          2HB       ALA  29   8.254   1.583  -0.139
  204   3HB   ALA  29          3HB       ALA  29   7.920   2.910   0.975
  205    H    SER  30           H        SER  30   6.158   5.128  -2.271
  206    HA   SER  30           HA       SER  30   6.687   7.351  -0.600
  207   1HB   SER  30          2HB       SER  30   8.913   7.196  -1.714
  208   2HB   SER  30          1HB       SER  30   8.120   7.369  -3.278
  209    HG   SER  30           HG       SER  30   8.234   9.437  -2.971
  210    H    LEU  31           H        LEU  31   5.721   6.080  -3.726
  211    HA   LEU  31           HA       LEU  31   4.093   8.275  -4.496
  212   1HB   LEU  31          2HB       LEU  31   3.942   5.366  -5.303
  213   2HB   LEU  31          1HB       LEU  31   3.101   6.679  -6.105
  214    HG   LEU  31           HG       LEU  31   6.106   6.401  -5.940
  215   1HD1  LEU  31          1HD1      LEU  31   5.994   5.823  -8.300
  216   2HD1  LEU  31          2HD1      LEU  31   4.233   5.906  -8.251
  217   3HD1  LEU  31          3HD1      LEU  31   5.083   4.666  -7.331
  218   1HD2  LEU  31          1HD2      LEU  31   6.137   8.202  -7.576
  219   2HD2  LEU  31          2HD2      LEU  31   5.341   8.721  -6.090
  220   3HD2  LEU  31          3HD2      LEU  31   4.377   8.310  -7.510
  221    H    THR  32           H        THR  32   3.539   5.344  -2.648
  222    HA   THR  32           HA       THR  32   0.708   5.950  -2.344
  223    HB   THR  32           HB       THR  32   0.808   3.774  -0.964
  224    HG1  THR  32           1HG      THR  32   2.749   2.985  -0.697
  225   1HG2  THR  32          1HG2      THR  32   0.777   2.387  -2.989
  226   2HG2  THR  32          2HG2      THR  32   1.493   3.714  -3.903
  227   3HG2  THR  32          3HG2      THR  32  -0.124   3.886  -3.222
  228    H    ARG  33           H        ARG  33   2.497   7.821  -1.172
  229    HA   ARG  33           HA       ARG  33   3.011   7.254   1.562
  230   1HB   ARG  33          2HB       ARG  33   3.840   9.168  -0.190
  231   2HB   ARG  33          1HB       ARG  33   2.698  10.083   0.785
  232   1HG   ARG  33          2HG       ARG  33   4.996   8.487   1.892
  233   2HG   ARG  33          1HG       ARG  33   5.029  10.223   1.586
  234   1HD   ARG  33          2HD       ARG  33   3.283  10.589   3.210
  235   2HD   ARG  33          1HD       ARG  33   3.075   8.853   3.434
  236    HE   ARG  33           HE       ARG  33   5.568   9.027   4.160
  237   1HH1  ARG  33          1HH1      ARG  33   3.004  11.316   4.862
  238   2HH1  ARG  33          2HH1      ARG  33   3.743  11.889   6.330
  239   1HH2  ARG  33          1HH2      ARG  33   6.539   9.762   6.091
  240   2HH2  ARG  33          2HH2      ARG  33   5.750  10.995   7.035
  241    H    GLY  34           H        GLY  34   1.363   6.794   2.883
  242   1HA   GLY  34          2HA       GLY  34  -0.361   7.435   4.326
  243   2HA   GLY  34          1HA       GLY  34  -0.665   8.840   3.313
  244    H    LYS  35           H        LYS  35  -0.364   5.861   1.653
  245    HA   LYS  35           HA       LYS  35  -3.277   5.850   1.229
  246   1HB   LYS  35          2HB       LYS  35  -1.487   6.050  -0.685
  247   2HB   LYS  35          1HB       LYS  35  -1.384   4.303  -0.486
  248   1HG   LYS  35          2HG       LYS  35  -3.037   4.306  -2.004
  249   2HG   LYS  35          1HG       LYS  35  -4.052   4.601  -0.591
  250   1HD   LYS  35          2HD       LYS  35  -3.015   6.616  -2.577
  251   2HD   LYS  35          1HD       LYS  35  -4.683   6.172  -2.243
  252   1HE   LYS  35          2HE       LYS  35  -2.959   7.398  -0.126
  253   2HE   LYS  35          1HE       LYS  35  -3.806   8.392  -1.308
  254   1HZ   LYS  35          1HZ       LYS  35  -5.060   8.109   0.763
  255   2HZ   LYS  35          2HZ       LYS  35  -5.119   6.437   0.511
  256   3HZ   LYS  35          3HZ       LYS  35  -5.893   7.486  -0.573
  257    H    GLN  36           H        GLN  36  -3.939   4.601   2.968
  258    HA   GLN  36           HA       GLN  36  -2.801   1.905   3.200
  259   1HB   GLN  36          2HB       GLN  36  -4.566   3.466   5.087
  260   2HB   GLN  36          1HB       GLN  36  -4.028   1.816   5.362
  261   1HG   GLN  36          2HG       GLN  36  -1.708   2.575   5.384
  262   2HG   GLN  36          1HG       GLN  36  -2.248   4.230   5.115
  263   1HE2  GLN  36          1HE2      GLN  36  -3.295   5.330   6.766
  264   2HE2  GLN  36          2HE2      GLN  36  -3.228   4.791   8.411
  265    H    SER  37           H        SER  37  -4.315   0.064   3.480
  266    HA   SER  37           HA       SER  37  -6.926   0.573   2.244
  267   1HB   SER  37          2HB       SER  37  -5.361  -0.467   0.605
  268   2HB   SER  37          1HB       SER  37  -5.112  -1.804   1.727
  269    HG   SER  37           HG       SER  37  -7.128  -1.400  -0.032
  270    H    ASN  38           H        ASN  38  -8.588  -0.407   3.258
  271    HA   ASN  38           HA       ASN  38  -8.200  -1.259   5.912
  272   1HB   ASN  38          2HB       ASN  38 -10.593  -1.116   4.123
  273   2HB   ASN  38          1HB       ASN  38 -10.715  -1.838   5.721
  274   1HD2  ASN  38          1HD2      ASN  38  -8.485   0.777   5.096
  275   2HD2  ASN  38          2HD2      ASN  38  -9.354   1.987   5.986
  276    H    GLY  39           H        GLY  39  -8.140  -3.101   3.032
  277   1HA   GLY  39          2HA       GLY  39  -6.858  -5.201   3.591
  278   2HA   GLY  39          1HA       GLY  39  -8.150  -5.519   4.733
  279    H    LEU  40           H        LEU  40  -7.769  -7.550   3.202
  280    HA   LEU  40           HA       LEU  40  -9.987  -7.746   1.449
  281   1HB   LEU  40          2HB       LEU  40  -8.436  -6.636  -0.097
  282   2HB   LEU  40          1HB       LEU  40  -7.203  -7.829   0.259
  283    HG   LEU  40           HG       LEU  40  -8.713  -9.576  -0.725
  284   1HD1  LEU  40          1HD1      LEU  40 -10.546  -8.816  -2.158
  285   2HD1  LEU  40          2HD1      LEU  40 -10.296  -7.163  -1.597
  286   3HD1  LEU  40          3HD1      LEU  40 -10.829  -8.407  -0.467
  287   1HD2  LEU  40          1HD2      LEU  40  -8.264  -8.935  -3.049
  288   2HD2  LEU  40          2HD2      LEU  40  -6.874  -8.626  -2.008
  289   3HD2  LEU  40          3HD2      LEU  40  -7.906  -7.291  -2.521
  290    H    HIS  41           H        HIS  41 -10.671  -9.827   1.911
  291    HA   HIS  41           HA       HIS  41  -8.623 -11.887   2.080
  292   1HB   HIS  41          2HB       HIS  41  -9.482 -12.798   4.215
  293   2HB   HIS  41          1HB       HIS  41  -8.771 -11.203   4.389
  294    HD1  HIS  41           1HD      HIS  41 -11.827 -13.118   5.038
  295    HD2  HIS  41           2HD      HIS  41 -10.740  -9.105   4.784
  296    HE1  HIS  41           1HE      HIS  41 -13.673 -11.837   6.167
  297    HE2  HIS  41           2HE      HIS  41 -13.037  -9.410   5.954
  298    H    GLY  42           H        GLY  42  -9.301 -12.984   0.397
  299   1HA   GLY  42          2HA       GLY  42 -11.539 -14.717   0.707
  300   2HA   GLY  42          1HA       GLY  42 -11.852 -13.484  -0.510
  301    H    ASP  43           H        ASP  43 -11.946 -15.846  -1.548
  302    HA   ASP  43           HA       ASP  43  -9.336 -16.523  -2.659
  303   1HB   ASP  43          2HB       ASP  43 -11.064 -18.290  -2.143
  304   2HB   ASP  43          1HB       ASP  43 -12.051 -17.624  -3.440
  305    H    TYR  44           H        TYR  44  -8.967 -14.432  -3.580
  306    HA   TYR  44           HA       TYR  44 -10.820 -13.584  -5.675
  307   1HB   TYR  44          2HB       TYR  44  -8.792 -12.183  -3.994
  308   2HB   TYR  44          1HB       TYR  44  -9.225 -11.493  -5.554
  309    HD1  TYR  44           1HD      TYR  44 -10.377 -12.220  -2.159
  310    HD2  TYR  44           2HD      TYR  44 -11.472 -10.640  -5.953
  311    HE1  TYR  44           1HE      TYR  44 -12.367 -11.188  -1.150
  312    HE2  TYR  44           2HE      TYR  44 -13.466  -9.602  -4.953
  313    HH   TYR  44           HH       TYR  44 -13.894  -9.243  -1.650
  314    H    ASP  45           H        ASP  45 -10.379 -13.760  -7.727
  315    HA   ASP  45           HA       ASP  45  -7.904 -14.796  -8.699
  316   1HB   ASP  45          2HB       ASP  45 -10.113 -15.124  -9.828
  317   2HB   ASP  45          1HB       ASP  45 -10.117 -13.414 -10.239
  318    H    VAL  46           H        VAL  46  -6.626 -13.578 -10.405
  319    HA   VAL  46           HA       VAL  46  -5.232 -11.574  -9.152
  320    HB   VAL  46           HB       VAL  46  -5.428 -11.931 -12.143
  321   1HG1  VAL  46          1HG1      VAL  46  -4.344  -9.835 -11.446
  322   2HG1  VAL  46          2HG1      VAL  46  -3.210 -10.947 -12.212
  323   3HG1  VAL  46          3HG1      VAL  46  -3.214 -10.763 -10.457
  324   1HG2  VAL  46          1HG2      VAL  46  -3.612 -13.256 -10.134
  325   2HG2  VAL  46          2HG2      VAL  46  -3.479 -13.406 -11.886
  326   3HG2  VAL  46          3HG2      VAL  46  -4.900 -14.033 -11.053
  327    H    GLU  47           H        GLU  47  -7.335 -10.953 -12.005
  328    HA   GLU  47           HA       GLU  47  -7.162  -8.179 -11.877
  329   1HB   GLU  47          2HB       GLU  47  -9.528  -9.776 -12.871
  330   2HB   GLU  47          1HB       GLU  47  -9.123  -8.123 -13.310
  331   1HG   GLU  47          2HG       GLU  47  -7.505 -10.576 -13.962
  332   2HG   GLU  47          1HG       GLU  47  -8.540  -9.683 -15.073
  333    H    SER  48           H        SER  48  -9.307 -10.360 -10.123
  334    HA   SER  48           HA       SER  48 -11.215  -8.363  -9.411
  335   1HB   SER  48          2HB       SER  48 -10.721 -11.066  -8.150
  336   2HB   SER  48          1HB       SER  48 -12.193 -10.106  -8.054
  337    HG   SER  48           HG       SER  48 -11.818 -10.325 -10.587
  338    H    GLY  49           H        GLY  49  -8.275  -9.660  -8.042
  339   1HA   GLY  49          2HA       GLY  49  -8.747  -8.862  -5.350
  340   2HA   GLY  49          1HA       GLY  49  -7.193  -9.313  -6.040
  341    H    LEU  50           H        LEU  50  -6.887  -7.404  -8.003
  342    HA   LEU  50           HA       LEU  50  -5.956  -5.231  -6.430
  343   1HB   LEU  50          2HB       LEU  50  -6.102  -5.654  -9.410
  344   2HB   LEU  50          1HB       LEU  50  -5.443  -4.197  -8.695
  345    HG   LEU  50           HG       LEU  50  -3.811  -5.747  -7.458
  346   1HD1  LEU  50          1HD1      LEU  50  -4.899  -7.852  -7.809
  347   2HD1  LEU  50          2HD1      LEU  50  -3.333  -7.865  -8.620
  348   3HD1  LEU  50          3HD1      LEU  50  -4.812  -7.651  -9.557
  349   1HD2  LEU  50          1HD2      LEU  50  -3.657  -5.487 -10.455
  350   2HD2  LEU  50          2HD2      LEU  50  -2.301  -5.831  -9.382
  351   3HD2  LEU  50          3HD2      LEU  50  -3.140  -4.282  -9.277
  352    H    GLN  51           H        GLN  51  -8.716  -5.700  -8.586
  353    HA   GLN  51           HA       GLN  51  -9.657  -3.107  -8.752
  354   1HB   GLN  51          2HB       GLN  51 -10.600  -5.029  -9.986
  355   2HB   GLN  51          1HB       GLN  51 -11.313  -5.623  -8.494
  356   1HG   GLN  51          2HG       GLN  51 -12.682  -3.599  -8.346
  357   2HG   GLN  51          1HG       GLN  51 -11.975  -3.019  -9.853
  358   1HE2  GLN  51          1HE2      GLN  51 -13.930  -2.953 -10.917
  359   2HE2  GLN  51          2HE2      GLN  51 -14.774  -4.384 -11.397
  360    H    GLN  52           H        GLN  52 -10.291  -5.520  -6.213
  361    HA   GLN  52           HA       GLN  52 -12.004  -3.886  -4.673
  362   1HB   GLN  52          2HB       GLN  52 -10.269  -6.229  -3.875
  363   2HB   GLN  52          1HB       GLN  52 -11.479  -5.492  -2.835
  364   1HG   GLN  52          2HG       GLN  52 -12.030  -6.800  -5.488
  365   2HG   GLN  52          1HG       GLN  52 -12.279  -7.542  -3.908
  366   1HE2  GLN  52          1HE2      GLN  52 -13.979  -6.865  -2.627
  367   2HE2  GLN  52          2HE2      GLN  52 -15.276  -5.904  -3.242
  368    H    LEU  53           H        LEU  53  -8.526  -4.541  -4.469
  369    HA   LEU  53           HA       LEU  53  -7.963  -3.102  -2.154
  370   1HB   LEU  53          2HB       LEU  53  -6.258  -3.679  -4.568
  371   2HB   LEU  53          1HB       LEU  53  -5.635  -2.929  -3.111
  372    HG   LEU  53           HG       LEU  53  -6.888  -5.672  -3.240
  373   1HD1  LEU  53          1HD1      LEU  53  -3.999  -4.851  -2.982
  374   2HD1  LEU  53          2HD1      LEU  53  -4.743  -5.599  -4.395
  375   3HD1  LEU  53          3HD1      LEU  53  -4.620  -6.500  -2.883
  376   1HD2  LEU  53          1HD2      LEU  53  -6.063  -5.902  -0.959
  377   2HD2  LEU  53          2HD2      LEU  53  -7.199  -4.558  -1.085
  378   3HD2  LEU  53          3HD2      LEU  53  -5.466  -4.245  -0.997
  379    H    LEU  54           H        LEU  54  -8.519  -1.949  -5.393
  380    HA   LEU  54           HA       LEU  54  -7.284   0.611  -4.986
  381   1HB   LEU  54          2HB       LEU  54  -9.117  -0.404  -7.156
  382   2HB   LEU  54          1HB       LEU  54  -8.365   1.178  -7.167
  383    HG   LEU  54           HG       LEU  54  -6.885  -1.453  -7.209
  384   1HD1  LEU  54          1HD1      LEU  54  -7.352   0.578  -9.390
  385   2HD1  LEU  54          2HD1      LEU  54  -8.095  -1.016  -9.288
  386   3HD1  LEU  54          3HD1      LEU  54  -6.352  -0.868  -9.518
  387   1HD2  LEU  54          1HD2      LEU  54  -5.926   1.397  -7.405
  388   2HD2  LEU  54          2HD2      LEU  54  -4.931  -0.027  -7.708
  389   3HD2  LEU  54          3HD2      LEU  54  -5.598   0.259  -6.099
  390    H    ASP  55           H        ASP  55 -10.184  -0.663  -3.890
  391    HA   ASP  55           HA       ASP  55 -11.937   1.521  -4.314
  392   1HB   ASP  55          2HB       ASP  55 -12.752  -0.729  -3.720
  393   2HB   ASP  55          1HB       ASP  55 -12.034  -0.562  -2.121
  394    H    GLY  56           H        GLY  56 -11.033   3.438  -3.779
  395   1HA   GLY  56          2HA       GLY  56 -11.355   4.853  -1.655
  396   2HA   GLY  56          1HA       GLY  56 -10.116   3.789  -1.004
  397    H    SER  57           H        SER  57  -8.810   3.685  -3.684
  398    HA   SER  57           HA       SER  57  -7.359   6.218  -3.453
  399   1HB   SER  57          2HB       SER  57  -5.673   5.035  -4.909
  400   2HB   SER  57          1HB       SER  57  -5.949   4.272  -3.342
  401    HG   SER  57           HG       SER  57  -7.616   3.370  -5.335
  402    H    GLY  58           H        GLY  58  -6.502   7.040  -5.655
  403   1HA   GLY  58          2HA       GLY  58  -8.782   7.073  -7.523
  404   2HA   GLY  58          1HA       GLY  58  -7.679   8.419  -7.269
  405    H    LEU  59           H        LEU  59  -5.504   6.218  -7.177
  406    HA   LEU  59           HA       LEU  59  -4.973   6.247 -10.018
  407   1HB   LEU  59          2HB       LEU  59  -2.730   5.360  -9.294
  408   2HB   LEU  59          1HB       LEU  59  -3.149   6.966  -8.738
  409    HG   LEU  59           HG       LEU  59  -3.787   5.957  -6.531
  410   1HD1  LEU  59          1HD1      LEU  59  -4.079   3.665  -7.444
  411   2HD1  LEU  59          2HD1      LEU  59  -3.091   3.755  -5.981
  412   3HD1  LEU  59          3HD1      LEU  59  -2.320   3.549  -7.557
  413   1HD2  LEU  59          1HD2      LEU  59  -1.661   7.094  -6.855
  414   2HD2  LEU  59          2HD2      LEU  59  -0.939   5.601  -7.454
  415   3HD2  LEU  59          3HD2      LEU  59  -1.468   5.712  -5.777
  416    H    GLN  60           H        GLN  60  -3.478   3.831 -10.388
  417    HA   GLN  60           HA       GLN  60  -5.504   1.836  -9.934
  418   1HB   GLN  60          2HB       GLN  60  -4.936   2.935 -12.691
  419   2HB   GLN  60          1HB       GLN  60  -5.673   1.362 -12.420
  420   1HG   GLN  60          2HG       GLN  60  -7.523   2.459 -11.232
  421   2HG   GLN  60          1HG       GLN  60  -6.794   4.026 -11.577
  422   1HE2  GLN  60          1HE2      GLN  60  -9.387   2.892 -12.361
  423   2HE2  GLN  60          2HE2      GLN  60  -9.434   2.987 -14.089
  424    H    VAL  61           H        VAL  61  -4.408   0.062  -9.468
  425    HA   VAL  61           HA       VAL  61  -1.725  -0.330 -10.577
  426    HB   VAL  61           HB       VAL  61  -3.131  -2.023  -8.506
  427   1HG1  VAL  61          1HG1      VAL  61  -0.216  -1.746  -9.234
  428   2HG1  VAL  61          2HG1      VAL  61  -1.259  -3.120  -9.601
  429   3HG1  VAL  61          3HG1      VAL  61  -0.854  -2.742  -7.927
  430   1HG2  VAL  61          1HG2      VAL  61  -2.982   0.263  -7.678
  431   2HG2  VAL  61          2HG2      VAL  61  -1.260   0.303  -8.053
  432   3HG2  VAL  61          3HG2      VAL  61  -1.865  -0.786  -6.805
  433    H    LYS  62           H        LYS  62  -1.380  -1.807 -12.195
  434    HA   LYS  62           HA       LYS  62  -3.318  -3.931 -12.580
  435   1HB   LYS  62          2HB       LYS  62  -3.830  -3.432 -14.849
  436   2HB   LYS  62          1HB       LYS  62  -4.180  -2.000 -13.899
  437   1HG   LYS  62          2HG       LYS  62  -2.143  -0.951 -14.699
  438   2HG   LYS  62          1HG       LYS  62  -1.721  -2.417 -15.595
  439   1HD   LYS  62          2HD       LYS  62  -3.963  -2.150 -16.770
  440   2HD   LYS  62          1HD       LYS  62  -4.022  -0.535 -16.065
  441   1HE   LYS  62          2HE       LYS  62  -1.785  -1.549 -17.812
  442   2HE   LYS  62          1HE       LYS  62  -3.157  -0.617 -18.398
  443   1HZ   LYS  62          1HZ       LYS  62  -2.475   1.163 -16.807
  444   2HZ   LYS  62          2HZ       LYS  62  -1.369   0.869 -18.062
  445   3HZ   LYS  62          3HZ       LYS  62  -1.055   0.280 -16.508
  446    HA   PRO  63           HA       PRO  63   0.156  -6.352 -13.934
  447   1HB   PRO  63          2HB       PRO  63  -1.680  -7.378 -16.035
  448   2HB   PRO  63          1HB       PRO  63  -0.746  -8.265 -14.828
  449   1HG   PRO  63          2HG       PRO  63  -3.376  -7.985 -14.564
  450   2HG   PRO  63          1HG       PRO  63  -2.304  -7.897 -13.151
  451   1HD   PRO  63          2HD       PRO  63  -3.646  -5.687 -14.658
  452   2HD   PRO  63          1HD       PRO  63  -3.390  -5.868 -12.910
  453    H    LEU  64           H        LEU  64   1.778  -5.967 -15.274
  454    HA   LEU  64           HA       LEU  64   1.645  -3.809 -17.106
  455   1HB   LEU  64          2HB       LEU  64   3.637  -4.366 -15.774
  456   2HB   LEU  64          1HB       LEU  64   3.817  -5.859 -16.671
  457    HG   LEU  64           HG       LEU  64   4.184  -4.522 -18.738
  458   1HD1  LEU  64          1HD1      LEU  64   3.019  -2.494 -18.083
  459   2HD1  LEU  64          2HD1      LEU  64   4.693  -2.142 -18.516
  460   3HD1  LEU  64          3HD1      LEU  64   4.214  -2.197 -16.821
  461   1HD2  LEU  64          1HD2      LEU  64   6.458  -3.828 -18.157
  462   2HD2  LEU  64          2HD2      LEU  64   6.060  -5.398 -17.460
  463   3HD2  LEU  64          3HD2      LEU  64   6.059  -3.957 -16.445
  464    H    GLY  65           H        GLY  65   1.472  -7.270 -17.455
  465   1HA   GLY  65          2HA       GLY  65   0.199  -7.326 -19.884
  466   2HA   GLY  65          1HA       GLY  65   1.915  -7.340 -20.275
  467    H    ASN  66           H        ASN  66   3.138  -8.895 -18.651
  468    HA   ASN  66           HA       ASN  66   1.937 -11.526 -18.895
  469   1HB   ASN  66          2HB       ASN  66   4.547 -10.758 -17.551
  470   2HB   ASN  66          1HB       ASN  66   4.046 -12.376 -18.022
  471   1HD2  ASN  66          1HD2      ASN  66   4.045 -12.936 -20.231
  472   2HD2  ASN  66          2HD2      ASN  66   4.966 -12.020 -21.384
  473    H    ASN  67           H        ASN  67   2.834 -12.755 -16.534
  474    HA   ASN  67           HA       ASN  67   0.871 -11.803 -14.655
  475   1HB   ASN  67          2HB       ASN  67   1.402 -14.244 -15.061
  476   2HB   ASN  67          1HB       ASN  67   2.920 -13.983 -14.207
  477   1HD2  ASN  67          1HD2      ASN  67   2.919 -13.836 -11.999
  478   2HD2  ASN  67          2HD2      ASN  67   1.514 -14.115 -11.030
  479    H    SER  68           H        SER  68   2.286  -9.717 -14.870
  480    HA   SER  68           HA       SER  68   3.570  -9.393 -12.275
  481   1HB   SER  68          2HB       SER  68   4.898  -8.470 -14.850
  482   2HB   SER  68          1HB       SER  68   5.496  -8.200 -13.212
  483    HG   SER  68           HG       SER  68   4.991 -10.834 -13.725
  484    H    TRP  69           H        TRP  69   4.124  -6.686 -12.350
  485    HA   TRP  69           HA       TRP  69   1.534  -5.595 -13.123
  486   1HB   TRP  69          2HB       TRP  69   2.495  -5.673 -10.262
  487   2HB   TRP  69          1HB       TRP  69   1.131  -4.733 -10.836
  488    HD1  TRP  69           HD       TRP  69   0.471  -7.727 -12.635
  489    HE1  TRP  69           1HE      TRP  69  -0.992  -9.374 -11.300
  490    HE3  TRP  69           3HE      TRP  69   1.068  -5.717  -8.031
  491    HZ2  TRP  69           2HZ      TRP  69  -1.827  -9.722  -8.603
  492    HZ3  TRP  69           3HZ      TRP  69  -0.077  -6.720  -6.118
  493    HH2  TRP  69           HH       TRP  69  -1.506  -8.692  -6.389
  494    H    THR  70           H        THR  70   1.416  -3.243 -12.671
  495    HA   THR  70           HA       THR  70   3.943  -1.967 -11.975
  496    HB   THR  70           HB       THR  70   4.002  -2.149 -14.444
  497    HG1  THR  70           1HG      THR  70   3.714   0.483 -14.517
  498   1HG2  THR  70          1HG2      THR  70   1.503  -0.457 -14.360
  499   2HG2  THR  70          2HG2      THR  70   1.598  -2.139 -14.880
  500   3HG2  THR  70          3HG2      THR  70   2.415  -0.882 -15.809
  501    H    LEU  71           H        LEU  71   3.679   0.185 -11.183
  502    HA   LEU  71           HA       LEU  71   0.956   0.699 -10.279
  503   1HB   LEU  71          2HB       LEU  71   2.721   0.752  -8.600
  504   2HB   LEU  71          1HB       LEU  71   3.563   2.000  -9.498
  505    HG   LEU  71           HG       LEU  71   1.719   3.561  -9.088
  506   1HD1  LEU  71          1HD1      LEU  71  -0.079   2.970  -7.541
  507   2HD1  LEU  71          2HD1      LEU  71   0.525   1.316  -7.463
  508   3HD1  LEU  71          3HD1      LEU  71  -0.111   1.953  -8.979
  509   1HD2  LEU  71          1HD2      LEU  71   2.744   2.223  -6.595
  510   2HD2  LEU  71          2HD2      LEU  71   2.071   3.850  -6.695
  511   3HD2  LEU  71          3HD2      LEU  71   3.578   3.465  -7.527
  512    H    GLU  72           H        GLU  72  -0.155   1.638 -11.737
  513    HA   GLU  72           HA       GLU  72   0.893   3.803 -13.353
  514   1HB   GLU  72          2HB       GLU  72  -0.511   2.077 -14.376
  515   2HB   GLU  72          1HB       GLU  72  -1.847   2.547 -13.334
  516   1HG   GLU  72          2HG       GLU  72  -2.207   4.522 -14.463
  517   2HG   GLU  72          1HG       GLU  72  -0.576   4.557 -15.137
  518    HA   PRO  73           HA       PRO  73  -0.923   6.842 -10.615
  519   1HB   PRO  73          2HB       PRO  73   0.593   8.852 -11.948
  520   2HB   PRO  73          1HB       PRO  73   0.939   8.111 -10.387
  521   1HG   PRO  73          2HG       PRO  73   2.466   7.824 -12.695
  522   2HG   PRO  73          1HG       PRO  73   2.543   6.771 -11.271
  523   1HD   PRO  73          2HD       PRO  73   1.148   6.346 -13.878
  524   2HD   PRO  73          1HD       PRO  73   1.941   5.167 -12.810
  525    H    ALA  74           H        ALA  74  -2.944   7.322 -11.162
  526    HA   ALA  74           HA       ALA  74  -3.460   9.369 -13.101
  527   1HB   ALA  74          1HB       ALA  74  -4.609   6.616 -13.600
  528   2HB   ALA  74          2HB       ALA  74  -3.452   7.466 -14.625
  529   3HB   ALA  74          3HB       ALA  74  -5.090   8.089 -14.442
  530    HA   PRO  75           HA       PRO  75  -6.113   8.937  -9.409
  531   1HB   PRO  75          2HB       PRO  75  -5.510  11.316  -8.242
  532   2HB   PRO  75          1HB       PRO  75  -4.514   9.869  -8.077
  533   1HG   PRO  75          2HG       PRO  75  -3.986  12.326  -9.576
  534   2HG   PRO  75          1HG       PRO  75  -2.861  11.054  -9.082
  535   1HD   PRO  75          2HD       PRO  75  -4.099  11.475 -11.670
  536   2HD   PRO  75          1HD       PRO  75  -2.869  10.280 -11.209
  537    H    ALA  76           H        ALA  76  -6.093  12.387  -9.600
  538    HA   ALA  76           HA       ALA  76  -8.772  12.365 -10.828
  539   1HB   ALA  76          1HB       ALA  76  -7.626  14.342  -8.852
  540   2HB   ALA  76          2HB       ALA  76  -8.817  13.096  -8.487
  541   3HB   ALA  76          3HB       ALA  76  -9.233  14.419  -9.575
  542    HA   PRO  77           HA       PRO  77  -5.711  14.666 -13.378
  543   1HB   PRO  77          2HB       PRO  77  -5.629  12.928 -15.493
  544   2HB   PRO  77          1HB       PRO  77  -4.660  12.738 -14.027
  545   1HG   PRO  77          2HG       PRO  77  -6.830  11.086 -14.962
  546   2HG   PRO  77          1HG       PRO  77  -5.757  10.839 -13.572
  547   1HD   PRO  77          2HD       PRO  77  -8.479  11.965 -13.662
  548   2HD   PRO  77          1HD       PRO  77  -7.588  11.261 -12.297
  549    H    LYS  78           H        LYS  78  -8.299  15.483 -13.179
  550    HA   LYS  78           HA       LYS  78  -9.673  15.541 -15.676
  551   1HB   LYS  78          2HB       LYS  78 -10.923  15.883 -13.653
  552   2HB   LYS  78          1HB       LYS  78  -9.897  17.224 -13.178
  553   1HG   LYS  78          2HG       LYS  78 -11.987  18.087 -13.951
  554   2HG   LYS  78          1HG       LYS  78 -10.737  18.503 -15.124
  555   1HD   LYS  78          2HD       LYS  78 -11.439  16.624 -16.533
  556   2HD   LYS  78          1HD       LYS  78 -12.693  16.219 -15.358
  557   1HE   LYS  78          2HE       LYS  78 -13.647  17.467 -17.200
  558   2HE   LYS  78          1HE       LYS  78 -13.719  18.420 -15.719
  559   1HZ   LYS  78          1HZ       LYS  78 -11.639  18.721 -17.823
  560   2HZ   LYS  78          2HZ       LYS  78 -11.826  19.698 -16.447
  561   3HZ   LYS  78          3HZ       LYS  78 -13.005  19.710 -17.667
  562    H    GLU  79           H        GLU  79  -7.652  17.876 -13.933
  563    HA   GLU  79           HA       GLU  79  -7.480  19.454 -16.402
  564   1HB   GLU  79          2HB       GLU  79  -6.838  21.337 -14.846
  565   2HB   GLU  79          1HB       GLU  79  -8.497  20.774 -14.729
  566   1HG   GLU  79          2HG       GLU  79  -7.686  19.329 -12.791
  567   2HG   GLU  79          1HG       GLU  79  -6.234  20.329 -12.819
  568    H    ASP  80           H        ASP  80  -5.762  18.696 -17.424
  569    HA   ASP  80           HA       ASP  80  -3.208  19.563 -16.647
  570   1HB   ASP  80          2HB       ASP  80  -3.232  17.618 -15.144
  571   2HB   ASP  80          1HB       ASP  80  -3.610  16.564 -16.505
  Start of MODEL   18
    1   1H    ALA   1          1HT       ALA   1  -9.299 -20.094  -4.222
    2   2H    ALA   1          2HT       ALA   1  -8.663 -19.959  -5.789
    3   3H    ALA   1          3HT       ALA   1  -9.616 -18.713  -5.146
    4    HA   ALA   1           HA       ALA   1  -7.079 -19.538  -3.890
    5   1HB   ALA   1          1HB       ALA   1  -5.970 -17.718  -5.062
    6   2HB   ALA   1          2HB       ALA   1  -7.450 -17.370  -5.954
    7   3HB   ALA   1          3HB       ALA   1  -6.606 -18.898  -6.209
    8    H    GLN   2           H        GLN   2  -7.527 -18.947  -1.842
    9    HA   GLN   2           HA       GLN   2  -9.246 -16.735  -1.244
   10   1HB   GLN   2          2HB       GLN   2  -8.729 -17.204   1.101
   11   2HB   GLN   2          1HB       GLN   2  -9.171 -18.669   0.239
   12   1HG   GLN   2          2HG       GLN   2  -6.832 -19.299   0.075
   13   2HG   GLN   2          1HG       GLN   2  -6.365 -17.813   0.903
   14   1HE2  GLN   2          1HE2      GLN   2  -5.388 -18.930   2.582
   15   2HE2  GLN   2          2HE2      GLN   2  -6.293 -19.788   3.782
   16    H    VAL   3           H        VAL   3  -8.724 -14.814  -0.262
   17    HA   VAL   3           HA       VAL   3  -5.897 -14.002  -0.395
   18    HB   VAL   3           HB       VAL   3  -8.275 -12.317  -1.221
   19   1HG1  VAL   3          1HG1      VAL   3  -6.598 -10.662  -1.914
   20   2HG1  VAL   3          2HG1      VAL   3  -5.328 -11.678  -1.236
   21   3HG1  VAL   3          3HG1      VAL   3  -6.547 -10.966  -0.178
   22   1HG2  VAL   3          1HG2      VAL   3  -7.736 -14.016  -2.887
   23   2HG2  VAL   3          2HG2      VAL   3  -6.054 -13.486  -2.898
   24   3HG2  VAL   3          3HG2      VAL   3  -7.323 -12.403  -3.472
   25    H    ASN   4           H        ASN   4  -5.191 -12.726   1.320
   26    HA   ASN   4           HA       ASN   4  -7.175 -12.198   3.406
   27   1HB   ASN   4          2HB       ASN   4  -4.452 -13.462   3.832
   28   2HB   ASN   4          1HB       ASN   4  -5.556 -12.970   5.110
   29   1HD2  ASN   4          1HD2      ASN   4  -7.435 -14.184   5.470
   30   2HD2  ASN   4          2HD2      ASN   4  -7.627 -15.779   4.834
   31    H    ILE   5           H        ILE   5  -7.190 -10.044   3.210
   32    HA   ILE   5           HA       ILE   5  -4.616  -8.628   3.507
   33    HB   ILE   5           HB       ILE   5  -7.019  -7.660   1.934
   34   1HG1  ILE   5          2HG1      ILE   5  -5.835  -9.490   0.781
   35   2HG1  ILE   5          1HG1      ILE   5  -5.652  -7.961  -0.067
   36   1HG2  ILE   5          1HG2      ILE   5  -4.277  -6.439   2.226
   37   2HG2  ILE   5          2HG2      ILE   5  -5.758  -5.845   2.977
   38   3HG2  ILE   5          3HG2      ILE   5  -5.588  -5.821   1.221
   39   1HD1  ILE   5          1HD1      ILE   5  -3.574  -9.188  -0.053
   40   2HD1  ILE   5          2HD1      ILE   5  -3.604  -9.267   1.708
   41   3HD1  ILE   5          3HD1      ILE   5  -3.414  -7.712   0.898
   42    H    ALA   6           H        ALA   6  -4.778  -6.581   4.667
   43    HA   ALA   6           HA       ALA   6  -7.157  -5.940   6.144
   44   1HB   ALA   6          1HB       ALA   6  -6.194  -6.431   8.359
   45   2HB   ALA   6          2HB       ALA   6  -4.799  -7.175   7.579
   46   3HB   ALA   6          3HB       ALA   6  -6.398  -7.896   7.399
   47    HA   PRO   7           HA       PRO   7  -5.496  -1.921   6.330
   48   1HB   PRO   7          2HB       PRO   7  -5.354  -1.354   9.066
   49   2HB   PRO   7          1HB       PRO   7  -6.757  -1.100   8.025
   50   1HG   PRO   7          2HG       PRO   7  -6.147  -3.359   9.872
   51   2HG   PRO   7          1HG       PRO   7  -7.705  -2.596   9.502
   52   1HD   PRO   7          2HD       PRO   7  -7.055  -4.972   8.470
   53   2HD   PRO   7          1HD       PRO   7  -7.949  -3.772   7.515
   54    H    GLY   8           H        GLY   8  -3.518  -1.163   6.046
   55   1HA   GLY   8          2HA       GLY   8  -1.378  -1.076   7.705
   56   2HA   GLY   8          1HA       GLY   8  -1.260  -2.680   6.997
   57    H    SER   9           H        SER   9  -2.319   0.376   5.528
   58    HA   SER   9           HA       SER   9  -1.606   1.557   3.730
   59   1HB   SER   9          2HB       SER   9   1.041   0.219   4.328
   60   2HB   SER   9          1HB       SER   9   0.817   1.559   3.200
   61    HG   SER   9           HG       SER   9   1.029   1.601   5.908
   62    H    LEU  10           H        LEU  10  -1.904   1.318   1.577
   63    HA   LEU  10           HA       LEU  10  -2.555  -1.194   0.518
   64   1HB   LEU  10          2HB       LEU  10  -3.517   0.866  -0.318
   65   2HB   LEU  10          1HB       LEU  10  -1.939   1.447  -0.810
   66    HG   LEU  10           HG       LEU  10  -1.829  -0.394  -2.480
   67   1HD1  LEU  10          1HD1      LEU  10  -4.688  -0.865  -1.652
   68   2HD1  LEU  10          2HD1      LEU  10  -3.336  -1.972  -1.416
   69   3HD1  LEU  10          3HD1      LEU  10  -3.885  -1.589  -3.047
   70   1HD2  LEU  10          1HD2      LEU  10  -4.206   1.445  -2.690
   71   2HD2  LEU  10          2HD2      LEU  10  -3.435   0.602  -4.035
   72   3HD2  LEU  10          3HD2      LEU  10  -2.543   1.829  -3.135
   73    H    ASP  11           H        ASP  11   0.352   0.768   0.338
   74    HA   ASP  11           HA       ASP  11   1.849  -0.507  -1.555
   75   1HB   ASP  11          2HB       ASP  11   2.599   1.481  -0.325
   76   2HB   ASP  11          1HB       ASP  11   2.830   0.505   1.121
   77    H    LYS  12           H        LYS  12   1.753  -1.416   1.910
   78    HA   LYS  12           HA       LYS  12   3.371  -3.706   1.562
   79   1HB   LYS  12          2HB       LYS  12   3.101  -2.621   3.745
   80   2HB   LYS  12          1HB       LYS  12   1.396  -3.058   3.756
   81   1HG   LYS  12          2HG       LYS  12   2.075  -5.452   3.692
   82   2HG   LYS  12          1HG       LYS  12   3.752  -4.932   3.866
   83   1HD   LYS  12          2HD       LYS  12   3.267  -3.940   6.010
   84   2HD   LYS  12          1HD       LYS  12   1.547  -4.296   5.822
   85   1HE   LYS  12          2HE       LYS  12   2.060  -6.694   5.778
   86   2HE   LYS  12          1HE       LYS  12   3.769  -6.328   5.993
   87   1HZ   LYS  12          1HZ       LYS  12   1.633  -5.619   7.933
   88   2HZ   LYS  12          2HZ       LYS  12   3.300  -5.396   8.142
   89   3HZ   LYS  12          3HZ       LYS  12   2.657  -6.962   8.064
   90    H    ALA  13           H        ALA  13  -0.050  -3.114   1.192
   91    HA   ALA  13           HA       ALA  13  -0.964  -5.769   1.575
   92   1HB   ALA  13          1HB       ALA  13  -2.449  -3.826   1.689
   93   2HB   ALA  13          2HB       ALA  13  -3.017  -5.009   0.510
   94   3HB   ALA  13          3HB       ALA  13  -2.206  -3.539  -0.033
   95    H    LEU  14           H        LEU  14  -0.425  -3.876  -1.409
   96    HA   LEU  14           HA       LEU  14  -0.708  -5.955  -3.226
   97   1HB   LEU  14          2HB       LEU  14   1.115  -3.556  -3.420
   98   2HB   LEU  14          1HB       LEU  14   0.611  -4.561  -4.765
   99    HG   LEU  14           HG       LEU  14  -1.209  -2.839  -3.076
  100   1HD1  LEU  14          1HD1      LEU  14   0.228  -1.516  -4.514
  101   2HD1  LEU  14          2HD1      LEU  14  -1.432  -1.494  -5.111
  102   3HD1  LEU  14          3HD1      LEU  14  -0.222  -2.505  -5.903
  103   1HD2  LEU  14          1HD2      LEU  14  -1.801  -4.484  -5.532
  104   2HD2  LEU  14          2HD2      LEU  14  -2.928  -3.404  -4.710
  105   3HD2  LEU  14          3HD2      LEU  14  -2.332  -4.848  -3.891
  106    H    ASN  15           H        ASN  15   2.130  -4.926  -1.394
  107    HA   ASN  15           HA       ASN  15   4.043  -6.522  -2.692
  108   1HB   ASN  15          2HB       ASN  15   4.621  -4.692  -1.132
  109   2HB   ASN  15          1HB       ASN  15   3.987  -5.645   0.207
  110   1HD2  ASN  15          1HD2      ASN  15   5.926  -5.755   1.304
  111   2HD2  ASN  15          2HD2      ASN  15   7.271  -6.679   0.726
  112    H    GLN  16           H        GLN  16   1.888  -7.189   0.033
  113    HA   GLN  16           HA       GLN  16   2.825  -9.707   0.756
  114   1HB   GLN  16          2HB       GLN  16   0.081  -8.481   0.815
  115   2HB   GLN  16          1HB       GLN  16   0.405 -10.083   1.455
  116   1HG   GLN  16          2HG       GLN  16   1.879  -9.199   3.110
  117   2HG   GLN  16          1HG       GLN  16   1.799  -7.589   2.387
  118   1HE2  GLN  16          1HE2      GLN  16  -1.052  -9.462   2.400
  119   2HE2  GLN  16          2HE2      GLN  16  -1.866  -8.644   3.698
  120    H    TYR  17           H        TYR  17   0.345  -8.825  -1.653
  121    HA   TYR  17           HA       TYR  17  -0.358 -11.526  -2.221
  122   1HB   TYR  17          2HB       TYR  17  -1.917  -9.639  -2.515
  123   2HB   TYR  17          1HB       TYR  17  -0.874  -8.956  -3.742
  124    HD1  TYR  17           1HD      TYR  17  -0.602 -10.263  -5.948
  125    HD2  TYR  17           2HD      TYR  17  -3.584 -11.212  -3.051
  126    HE1  TYR  17           1HE      TYR  17  -1.862 -11.509  -7.650
  127    HE2  TYR  17           2HE      TYR  17  -4.840 -12.462  -4.751
  128    HH   TYR  17           HH       TYR  17  -3.509 -13.274  -7.798
  129    H    ALA  18           H        ALA  18   1.720  -9.071  -3.677
  130    HA   ALA  18           HA       ALA  18   2.647 -10.409  -5.903
  131   1HB   ALA  18          1HB       ALA  18   4.264  -8.633  -4.083
  132   2HB   ALA  18          2HB       ALA  18   3.186  -8.078  -5.364
  133   3HB   ALA  18          3HB       ALA  18   4.625  -9.015  -5.767
  134    H    ALA  19           H        ALA  19   3.970 -10.545  -2.607
  135    HA   ALA  19           HA       ALA  19   6.107 -12.282  -3.203
  136   1HB   ALA  19          1HB       ALA  19   6.286 -12.575  -0.798
  137   2HB   ALA  19          2HB       ALA  19   4.680 -11.878  -0.580
  138   3HB   ALA  19          3HB       ALA  19   5.997 -10.881  -1.198
  139    H    HIS  20           H        HIS  20   2.748 -12.847  -2.727
  140    HA   HIS  20           HA       HIS  20   2.796 -15.452  -1.705
  141   1HB   HIS  20          2HB       HIS  20   0.795 -13.991  -1.744
  142   2HB   HIS  20          1HB       HIS  20   0.694 -14.203  -3.486
  143    HD1  HIS  20           1HD      HIS  20   0.409 -16.207  -0.282
  144    HD2  HIS  20           2HD      HIS  20  -0.688 -16.423  -4.294
  145    HE1  HIS  20           1HE      HIS  20  -1.123 -18.205  -0.468
  146    HE2  HIS  20           2HE      HIS  20  -1.735 -18.341  -2.916
  147    H    SER  21           H        SER  21   2.592 -14.356  -5.117
  148    HA   SER  21           HA       SER  21   3.057 -17.142  -5.915
  149   1HB   SER  21          2HB       SER  21   1.116 -16.048  -6.945
  150   2HB   SER  21          1HB       SER  21   2.159 -14.781  -7.587
  151    HG   SER  21           HG       SER  21   3.244 -17.009  -8.390
  152    H    GLY  22           H        GLY  22   4.772 -14.413  -5.306
  153   1HA   GLY  22          2HA       GLY  22   6.980 -13.880  -5.638
  154   2HA   GLY  22          1HA       GLY  22   7.173 -15.464  -6.369
  155    H    PHE  23           H        PHE  23   5.234 -12.647  -7.376
  156    HA   PHE  23           HA       PHE  23   6.705 -12.715  -9.918
  157   1HB   PHE  23          2HB       PHE  23   4.714 -11.317 -10.761
  158   2HB   PHE  23          1HB       PHE  23   4.455 -13.032 -10.504
  159    HD1  PHE  23           1HD      PHE  23   2.832 -13.798  -8.996
  160    HD2  PHE  23           2HD      PHE  23   3.902  -9.685  -9.068
  161    HE1  PHE  23           1HE      PHE  23   0.925 -13.280  -7.533
  162    HE2  PHE  23           2HE      PHE  23   1.999  -9.157  -7.608
  163    HZ   PHE  23           HZ       PHE  23   0.468 -10.986  -6.881
  164    H    THR  24           H        THR  24   7.055 -10.620 -10.968
  165    HA   THR  24           HA       THR  24   8.298  -8.885  -9.006
  166    HB   THR  24           HB       THR  24   8.434  -8.699 -12.018
  167    HG1  THR  24           1HG      THR  24   9.206 -10.718 -11.434
  168   1HG2  THR  24          1HG2      THR  24  10.301  -7.683  -9.869
  169   2HG2  THR  24          2HG2      THR  24   9.181  -6.694 -10.803
  170   3HG2  THR  24          3HG2      THR  24  10.522  -7.506 -11.611
  171    H    LEU  25           H        LEU  25   7.352  -7.153  -8.245
  172    HA   LEU  25           HA       LEU  25   5.192  -5.864  -9.721
  173   1HB   LEU  25          2HB       LEU  25   5.895  -6.194  -6.943
  174   2HB   LEU  25          1HB       LEU  25   5.597  -4.506  -7.317
  175    HG   LEU  25           HG       LEU  25   3.593  -5.830  -6.524
  176   1HD1  LEU  25          1HD1      LEU  25   3.371  -3.701  -7.701
  177   2HD1  LEU  25          2HD1      LEU  25   2.083  -4.815  -8.157
  178   3HD1  LEU  25          3HD1      LEU  25   3.442  -4.544  -9.249
  179   1HD2  LEU  25          1HD2      LEU  25   3.890  -7.055  -9.258
  180   2HD2  LEU  25          2HD2      LEU  25   2.495  -7.238  -8.195
  181   3HD2  LEU  25          3HD2      LEU  25   4.061  -7.891  -7.715
  182    H    SER  26           H        SER  26   5.242  -3.785 -10.448
  183    HA   SER  26           HA       SER  26   7.749  -2.292 -10.069
  184   1HB   SER  26          2HB       SER  26   7.428  -2.851 -12.416
  185   2HB   SER  26          1HB       SER  26   5.782  -2.219 -12.374
  186    HG   SER  26           HG       SER  26   6.518  -0.260 -12.564
  187    H    VAL  27           H        VAL  27   7.181  -1.232  -8.214
  188    HA   VAL  27           HA       VAL  27   5.219   0.882  -8.511
  189    HB   VAL  27           HB       VAL  27   3.816  -0.866  -7.602
  190   1HG1  VAL  27          1HG1      VAL  27   5.862  -1.113  -5.400
  191   2HG1  VAL  27          2HG1      VAL  27   5.468  -2.324  -6.621
  192   3HG1  VAL  27          3HG1      VAL  27   4.274  -1.882  -5.401
  193   1HG2  VAL  27          1HG2      VAL  27   4.547   1.146  -5.482
  194   2HG2  VAL  27          2HG2      VAL  27   3.047   0.220  -5.553
  195   3HG2  VAL  27          3HG2      VAL  27   3.419   1.393  -6.815
  196    H    ASP  28           H        ASP  28   6.037   2.700  -7.679
  197    HA   ASP  28           HA       ASP  28   8.515   2.490  -6.182
  198   1HB   ASP  28          2HB       ASP  28   8.396   4.062  -8.081
  199   2HB   ASP  28          1HB       ASP  28   7.126   4.957  -7.248
  200    H    ALA  29           H        ALA  29   8.783   2.963  -4.118
  201    HA   ALA  29           HA       ALA  29   6.648   3.154  -2.303
  202   1HB   ALA  29          1HB       ALA  29   8.354   3.535  -0.613
  203   2HB   ALA  29          2HB       ALA  29   9.542   3.882  -1.870
  204   3HB   ALA  29          3HB       ALA  29   8.858   2.263  -1.728
  205    H    SER  30           H        SER  30   5.556   4.963  -3.506
  206    HA   SER  30           HA       SER  30   5.700   7.331  -1.940
  207   1HB   SER  30          2HB       SER  30   6.201   8.916  -3.777
  208   2HB   SER  30          1HB       SER  30   7.567   7.849  -3.455
  209    HG   SER  30           HG       SER  30   7.389   7.027  -5.392
  210    H    LEU  31           H        LEU  31   4.642   5.881  -4.983
  211    HA   LEU  31           HA       LEU  31   2.213   7.308  -5.221
  212   1HB   LEU  31          2HB       LEU  31   2.917   4.555  -6.251
  213   2HB   LEU  31          1HB       LEU  31   1.568   5.534  -6.796
  214    HG   LEU  31           HG       LEU  31   4.477   6.276  -7.126
  215   1HD1  LEU  31          1HD1      LEU  31   3.870   4.322  -8.462
  216   2HD1  LEU  31          2HD1      LEU  31   4.152   5.739  -9.476
  217   3HD1  LEU  31          3HD1      LEU  31   2.502   5.209  -9.138
  218   1HD2  LEU  31          1HD2      LEU  31   1.966   7.519  -8.248
  219   2HD2  LEU  31          2HD2      LEU  31   3.619   8.003  -8.625
  220   3HD2  LEU  31          3HD2      LEU  31   2.991   8.211  -6.990
  221    H    THR  32           H        THR  32   3.040   4.167  -3.838
  222    HA   THR  32           HA       THR  32   0.329   3.761  -2.873
  223    HB   THR  32           HB       THR  32   1.557   1.629  -1.925
  224    HG1  THR  32           1HG      THR  32   3.560   1.368  -2.621
  225   1HG2  THR  32          1HG2      THR  32   1.076   2.065  -4.878
  226   2HG2  THR  32          2HG2      THR  32  -0.137   1.588  -3.691
  227   3HG2  THR  32          3HG2      THR  32   1.194   0.497  -4.079
  228    H    ARG  33           H        ARG  33   2.956   5.415  -1.793
  229    HA   ARG  33           HA       ARG  33   2.850   4.587   0.985
  230   1HB   ARG  33          2HB       ARG  33   5.011   5.176  -0.027
  231   2HB   ARG  33          1HB       ARG  33   4.416   6.797  -0.357
  232   1HG   ARG  33          2HG       ARG  33   4.164   7.179   2.061
  233   2HG   ARG  33          1HG       ARG  33   4.821   5.569   2.363
  234   1HD   ARG  33          2HD       ARG  33   6.587   7.142   2.643
  235   2HD   ARG  33          1HD       ARG  33   6.878   6.256   1.148
  236    HE   ARG  33           HE       ARG  33   5.471   8.575   0.488
  237   1HH1  ARG  33          1HH1      ARG  33   8.593   7.653   1.775
  238   2HH1  ARG  33          2HH1      ARG  33   9.402   9.082   1.206
  239   1HH2  ARG  33          1HH2      ARG  33   6.524  10.458  -0.274
  240   2HH2  ARG  33          2HH2      ARG  33   8.222  10.681   0.044
  241    H    GLY  34           H        GLY  34   1.647   5.530   2.511
  242   1HA   GLY  34          2HA       GLY  34   0.909   7.546   3.606
  243   2HA   GLY  34          1HA       GLY  34   0.670   8.263   2.019
  244    H    LYS  35           H        LYS  35  -0.532   5.547   1.207
  245    HA   LYS  35           HA       LYS  35  -3.155   6.101   2.345
  246   1HB   LYS  35          2HB       LYS  35  -4.015   5.087   0.164
  247   2HB   LYS  35          1HB       LYS  35  -3.399   6.726   0.132
  248   1HG   LYS  35          2HG       LYS  35  -1.718   4.361  -0.599
  249   2HG   LYS  35          1HG       LYS  35  -2.754   5.173  -1.774
  250   1HD   LYS  35          2HD       LYS  35  -0.489   6.388  -0.196
  251   2HD   LYS  35          1HD       LYS  35  -0.495   6.046  -1.927
  252   1HE   LYS  35          2HE       LYS  35  -2.287   8.015  -0.504
  253   2HE   LYS  35          1HE       LYS  35  -0.856   8.428  -1.444
  254   1HZ   LYS  35          1HZ       LYS  35  -2.860   8.756  -2.728
  255   2HZ   LYS  35          2HZ       LYS  35  -3.319   7.145  -2.499
  256   3HZ   LYS  35          3HZ       LYS  35  -1.936   7.512  -3.412
  257    H    GLN  36           H        GLN  36  -4.387   4.504   3.083
  258    HA   GLN  36           HA       GLN  36  -3.099   1.882   3.340
  259   1HB   GLN  36          2HB       GLN  36  -4.585   1.556   5.286
  260   2HB   GLN  36          1HB       GLN  36  -3.529   2.951   5.461
  261   1HG   GLN  36          2HG       GLN  36  -5.361   4.428   4.856
  262   2HG   GLN  36          1HG       GLN  36  -6.421   3.038   4.630
  263   1HE2  GLN  36          1HE2      GLN  36  -7.228   1.970   6.412
  264   2HE2  GLN  36          2HE2      GLN  36  -7.123   2.613   8.017
  265    H    SER  37           H        SER  37  -4.364  -0.076   3.179
  266    HA   SER  37           HA       SER  37  -6.925   0.271   1.812
  267   1HB   SER  37          2HB       SER  37  -5.179  -0.792   0.354
  268   2HB   SER  37          1HB       SER  37  -4.989  -2.061   1.564
  269    HG   SER  37           HG       SER  37  -6.951  -1.694  -0.327
  270    H    ASN  38           H        ASN  38  -8.545  -0.397   3.034
  271    HA   ASN  38           HA       ASN  38  -7.934  -1.097   5.716
  272   1HB   ASN  38          2HB       ASN  38 -10.542  -0.668   4.270
  273   2HB   ASN  38          1HB       ASN  38 -10.426  -0.963   6.009
  274   1HD2  ASN  38          1HD2      ASN  38  -9.458   1.202   3.410
  275   2HD2  ASN  38          2HD2      ASN  38  -9.132   2.575   4.422
  276    H    GLY  39           H        GLY  39  -8.537  -3.059   3.033
  277   1HA   GLY  39          2HA       GLY  39  -7.432  -5.249   3.739
  278   2HA   GLY  39          1HA       GLY  39  -8.727  -5.323   4.921
  279    H    LEU  40           H        LEU  40  -8.629  -7.486   3.496
  280    HA   LEU  40           HA       LEU  40 -10.965  -7.469   1.861
  281   1HB   LEU  40          2HB       LEU  40  -9.342  -6.729   0.188
  282   2HB   LEU  40          1HB       LEU  40  -8.274  -8.054   0.610
  283    HG   LEU  40           HG       LEU  40  -9.968  -9.658  -0.211
  284   1HD1  LEU  40          1HD1      LEU  40 -11.847  -8.800  -1.546
  285   2HD1  LEU  40          2HD1      LEU  40 -11.434  -7.162  -1.034
  286   3HD1  LEU  40          3HD1      LEU  40 -11.962  -8.350   0.157
  287   1HD2  LEU  40          1HD2      LEU  40  -8.179  -8.904  -1.694
  288   2HD2  LEU  40          2HD2      LEU  40  -9.174  -7.542  -2.213
  289   3HD2  LEU  40          3HD2      LEU  40  -9.669  -9.192  -2.590
  290    H    HIS  41           H        HIS  41 -11.959  -9.416   2.259
  291    HA   HIS  41           HA       HIS  41 -10.222 -11.751   2.693
  292   1HB   HIS  41          2HB       HIS  41 -12.568 -11.015   4.462
  293   2HB   HIS  41          1HB       HIS  41 -11.673 -12.527   4.548
  294    HD1  HIS  41           1HD      HIS  41 -11.861  -9.311   6.082
  295    HD2  HIS  41           2HD      HIS  41  -8.784 -11.971   5.202
  296    HE1  HIS  41           1HE      HIS  41  -9.932  -8.633   7.551
  297    HE2  HIS  41           2HE      HIS  41  -8.156 -10.377   7.147
  298    H    GLY  42           H        GLY  42 -10.739 -12.597   0.725
  299   1HA   GLY  42          2HA       GLY  42 -13.146 -14.153   0.676
  300   2HA   GLY  42          1HA       GLY  42 -13.168 -12.858  -0.515
  301    H    ASP  43           H        ASP  43 -13.351 -14.916  -1.867
  302    HA   ASP  43           HA       ASP  43 -10.693 -15.963  -2.530
  303   1HB   ASP  43          2HB       ASP  43 -12.907 -17.387  -2.356
  304   2HB   ASP  43          1HB       ASP  43 -13.195 -16.766  -3.980
  305    H    TYR  44           H        TYR  44  -9.556 -14.822  -3.985
  306    HA   TYR  44           HA       TYR  44 -11.043 -13.299  -6.002
  307   1HB   TYR  44          2HB       TYR  44  -9.145 -12.234  -3.947
  308   2HB   TYR  44          1HB       TYR  44  -9.291 -11.422  -5.503
  309    HD1  TYR  44           1HD      TYR  44 -11.026 -12.295  -2.382
  310    HD2  TYR  44           2HD      TYR  44 -11.306 -10.207  -6.078
  311    HE1  TYR  44           1HE      TYR  44 -13.039 -11.139  -1.571
  312    HE2  TYR  44           2HE      TYR  44 -13.316  -9.044  -5.273
  313    HH   TYR  44           HH       TYR  44 -14.326  -9.156  -1.981
  314    H    ASP  45           H        ASP  45 -10.221 -13.325  -7.953
  315    HA   ASP  45           HA       ASP  45  -7.634 -14.537  -8.453
  316   1HB   ASP  45          2HB       ASP  45  -9.672 -14.984  -9.883
  317   2HB   ASP  45          1HB       ASP  45  -9.569 -13.319 -10.444
  318    H    VAL  46           H        VAL  46  -6.285 -13.280 -10.208
  319    HA   VAL  46           HA       VAL  46  -5.000 -11.276  -8.855
  320    HB   VAL  46           HB       VAL  46  -5.081 -11.553 -11.862
  321   1HG1  VAL  46          1HG1      VAL  46  -4.084  -9.451 -11.157
  322   2HG1  VAL  46          2HG1      VAL  46  -2.852 -10.539 -11.796
  323   3HG1  VAL  46          3HG1      VAL  46  -3.009 -10.312 -10.055
  324   1HG2  VAL  46          1HG2      VAL  46  -3.096 -12.970 -11.578
  325   2HG2  VAL  46          2HG2      VAL  46  -4.517 -13.664 -10.799
  326   3HG2  VAL  46          3HG2      VAL  46  -3.281 -12.865  -9.827
  327    H    GLU  47           H        GLU  47  -6.833 -10.514 -11.839
  328    HA   GLU  47           HA       GLU  47  -6.843  -7.767 -11.428
  329   1HB   GLU  47          2HB       GLU  47  -8.695  -9.507 -13.044
  330   2HB   GLU  47          1HB       GLU  47  -8.820  -7.755 -13.030
  331   1HG   GLU  47          2HG       GLU  47  -7.536  -8.072 -14.883
  332   2HG   GLU  47          1HG       GLU  47  -6.289  -7.858 -13.659
  333    H    SER  48           H        SER  48  -9.052 -10.183 -10.136
  334    HA   SER  48           HA       SER  48 -11.169  -8.349  -9.585
  335   1HB   SER  48          2HB       SER  48 -10.690 -11.059  -8.336
  336   2HB   SER  48          1HB       SER  48 -12.224 -10.213  -8.517
  337    HG   SER  48           HG       SER  48 -11.583 -10.340 -10.912
  338    H    GLY  49           H        GLY  49  -8.439  -9.695  -7.825
  339   1HA   GLY  49          2HA       GLY  49  -9.373  -8.830  -5.241
  340   2HA   GLY  49          1HA       GLY  49  -7.791  -9.507  -5.611
  341    H    LEU  50           H        LEU  50  -7.008  -7.716  -7.603
  342    HA   LEU  50           HA       LEU  50  -5.892  -5.653  -6.054
  343   1HB   LEU  50          2HB       LEU  50  -6.176  -5.853  -9.053
  344   2HB   LEU  50          1HB       LEU  50  -5.111  -4.749  -8.204
  345    HG   LEU  50           HG       LEU  50  -4.900  -7.760  -8.171
  346   1HD1  LEU  50          1HD1      LEU  50  -2.871  -7.413  -9.476
  347   2HD1  LEU  50          2HD1      LEU  50  -3.181  -5.678  -9.510
  348   3HD1  LEU  50          3HD1      LEU  50  -4.285  -6.788 -10.323
  349   1HD2  LEU  50          1HD2      LEU  50  -3.129  -5.646  -6.952
  350   2HD2  LEU  50          2HD2      LEU  50  -2.772  -7.372  -7.014
  351   3HD2  LEU  50          3HD2      LEU  50  -4.147  -6.789  -6.075
  352    H    GLN  51           H        GLN  51  -8.674  -5.769  -8.198
  353    HA   GLN  51           HA       GLN  51  -9.250  -3.055  -8.396
  354   1HB   GLN  51          2HB       GLN  51 -10.372  -4.693  -9.778
  355   2HB   GLN  51          1HB       GLN  51 -11.106  -5.438  -8.366
  356   1HG   GLN  51          2HG       GLN  51 -12.750  -4.131  -9.493
  357   2HG   GLN  51          1HG       GLN  51 -12.362  -3.352  -7.964
  358   1HE2  GLN  51          1HE2      GLN  51 -13.544  -2.291 -10.414
  359   2HE2  GLN  51          2HE2      GLN  51 -12.536  -0.964 -10.897
  360    H    GLN  52           H        GLN  52 -10.385  -5.419  -5.968
  361    HA   GLN  52           HA       GLN  52 -11.935  -3.494  -4.553
  362   1HB   GLN  52          2HB       GLN  52 -12.453  -5.868  -4.406
  363   2HB   GLN  52          1HB       GLN  52 -10.885  -6.189  -3.676
  364   1HG   GLN  52          2HG       GLN  52 -12.723  -6.165  -2.044
  365   2HG   GLN  52          1HG       GLN  52 -11.483  -4.961  -1.705
  366   1HE2  GLN  52          1HE2      GLN  52 -12.846  -3.704  -0.485
  367   2HE2  GLN  52          2HE2      GLN  52 -14.131  -2.773  -1.166
  368    H    LEU  53           H        LEU  53  -8.647  -4.721  -4.212
  369    HA   LEU  53           HA       LEU  53  -7.991  -3.620  -1.737
  370   1HB   LEU  53          2HB       LEU  53  -6.270  -4.081  -4.171
  371   2HB   LEU  53          1HB       LEU  53  -5.634  -3.622  -2.602
  372    HG   LEU  53           HG       LEU  53  -7.139  -6.163  -3.220
  373   1HD1  LEU  53          1HD1      LEU  53  -4.233  -5.679  -2.591
  374   2HD1  LEU  53          2HD1      LEU  53  -4.896  -6.159  -4.153
  375   3HD1  LEU  53          3HD1      LEU  53  -4.996  -7.257  -2.775
  376   1HD2  LEU  53          1HD2      LEU  53  -5.862  -5.213  -0.660
  377   2HD2  LEU  53          2HD2      LEU  53  -6.572  -6.804  -0.931
  378   3HD2  LEU  53          3HD2      LEU  53  -7.592  -5.366  -0.965
  379    H    LEU  54           H        LEU  54  -8.323  -2.087  -4.835
  380    HA   LEU  54           HA       LEU  54  -6.809   0.253  -4.155
  381   1HB   LEU  54          2HB       LEU  54  -8.709  -0.281  -6.436
  382   2HB   LEU  54          1HB       LEU  54  -7.694   1.142  -6.289
  383    HG   LEU  54           HG       LEU  54  -6.651  -1.682  -6.505
  384   1HD1  LEU  54          1HD1      LEU  54  -7.805  -0.950  -8.546
  385   2HD1  LEU  54          2HD1      LEU  54  -6.068  -1.120  -8.784
  386   3HD1  LEU  54          3HD1      LEU  54  -6.779   0.482  -8.598
  387   1HD2  LEU  54          1HD2      LEU  54  -5.238   0.980  -6.677
  388   2HD2  LEU  54          2HD2      LEU  54  -4.500  -0.607  -6.887
  389   3HD2  LEU  54          3HD2      LEU  54  -5.157  -0.141  -5.320
  390    H    ASP  55           H        ASP  55  -9.819  -0.776  -3.204
  391    HA   ASP  55           HA       ASP  55 -11.353   1.586  -3.531
  392   1HB   ASP  55          2HB       ASP  55 -12.410  -0.595  -3.121
  393   2HB   ASP  55          1HB       ASP  55 -11.705  -0.636  -1.507
  394    H    GLY  56           H        GLY  56 -11.130   3.450  -2.555
  395   1HA   GLY  56          2HA       GLY  56 -11.038   4.707  -0.473
  396   2HA   GLY  56          1HA       GLY  56  -9.889   3.514   0.120
  397    H    SER  57           H        SER  57  -8.592   3.490  -2.596
  398    HA   SER  57           HA       SER  57  -7.025   5.950  -2.209
  399   1HB   SER  57          2HB       SER  57  -5.160   4.725  -3.284
  400   2HB   SER  57          1HB       SER  57  -5.733   3.907  -1.830
  401    HG   SER  57           HG       SER  57  -7.163   2.835  -3.648
  402    H    GLY  58           H        GLY  58  -5.909   6.682  -4.307
  403   1HA   GLY  58          2HA       GLY  58  -7.891   6.558  -6.483
  404   2HA   GLY  58          1HA       GLY  58  -6.916   7.976  -6.117
  405    H    LEU  59           H        LEU  59  -6.134   4.537  -6.456
  406    HA   LEU  59           HA       LEU  59  -4.176   5.273  -8.528
  407   1HB   LEU  59          2HB       LEU  59  -3.882   3.194  -6.354
  408   2HB   LEU  59          1HB       LEU  59  -2.738   3.460  -7.655
  409    HG   LEU  59           HG       LEU  59  -3.431   5.493  -5.535
  410   1HD1  LEU  59          1HD1      LEU  59  -0.994   3.737  -5.822
  411   2HD1  LEU  59          2HD1      LEU  59  -2.253   3.567  -4.600
  412   3HD1  LEU  59          3HD1      LEU  59  -1.226   5.001  -4.614
  413   1HD2  LEU  59          1HD2      LEU  59  -2.733   6.491  -7.646
  414   2HD2  LEU  59          2HD2      LEU  59  -1.293   5.473  -7.665
  415   3HD2  LEU  59          3HD2      LEU  59  -1.492   6.698  -6.411
  416    H    GLN  60           H        GLN  60  -3.427   3.134  -9.680
  417    HA   GLN  60           HA       GLN  60  -5.493   1.147  -9.893
  418   1HB   GLN  60          2HB       GLN  60  -6.238   2.829 -11.508
  419   2HB   GLN  60          1HB       GLN  60  -4.656   2.790 -12.259
  420   1HG   GLN  60          2HG       GLN  60  -6.176   1.513 -13.592
  421   2HG   GLN  60          1HG       GLN  60  -5.011   0.423 -12.844
  422   1HE2  GLN  60          1HE2      GLN  60  -7.738   1.878 -11.189
  423   2HE2  GLN  60          2HE2      GLN  60  -8.608   0.406 -10.940
  424    H    VAL  61           H        VAL  61  -4.386  -0.709  -9.791
  425    HA   VAL  61           HA       VAL  61  -1.626  -0.766 -10.738
  426    HB   VAL  61           HB       VAL  61  -1.900  -1.658  -8.524
  427   1HG1  VAL  61          1HG1      VAL  61  -3.330  -3.566  -8.016
  428   2HG1  VAL  61          2HG1      VAL  61  -3.923  -3.575  -9.676
  429   3HG1  VAL  61          3HG1      VAL  61  -4.275  -2.206  -8.622
  430   1HG2  VAL  61          1HG2      VAL  61  -0.266  -2.786  -9.916
  431   2HG2  VAL  61          2HG2      VAL  61  -1.502  -3.895 -10.510
  432   3HG2  VAL  61          3HG2      VAL  61  -1.021  -3.937  -8.812
  433    H    LYS  62           H        LYS  62  -1.092  -1.675 -12.623
  434    HA   LYS  62           HA       LYS  62  -3.195  -3.197 -14.007
  435   1HB   LYS  62          2HB       LYS  62  -2.588  -2.071 -16.086
  436   2HB   LYS  62          1HB       LYS  62  -3.076  -0.901 -14.868
  437   1HG   LYS  62          2HG       LYS  62  -0.647  -0.517 -14.394
  438   2HG   LYS  62          1HG       LYS  62  -0.283  -1.523 -15.797
  439   1HD   LYS  62          2HD       LYS  62  -1.839   1.059 -15.770
  440   2HD   LYS  62          1HD       LYS  62  -0.226   0.804 -16.433
  441   1HE   LYS  62          2HE       LYS  62  -1.176  -0.767 -18.073
  442   2HE   LYS  62          1HE       LYS  62  -2.785  -0.447 -17.424
  443   1HZ   LYS  62          1HZ       LYS  62  -2.374   1.946 -17.988
  444   2HZ   LYS  62          2HZ       LYS  62  -2.519   0.906 -19.323
  445   3HZ   LYS  62          3HZ       LYS  62  -0.989   1.445 -18.833
  446    HA   PRO  63           HA       PRO  63  -0.061  -6.304 -14.561
  447   1HB   PRO  63          2HB       PRO  63  -1.777  -7.099 -16.842
  448   2HB   PRO  63          1HB       PRO  63  -1.247  -8.048 -15.449
  449   1HG   PRO  63          2HG       PRO  63  -3.763  -7.203 -15.646
  450   2HG   PRO  63          1HG       PRO  63  -2.927  -7.218 -14.083
  451   1HD   PRO  63          2HD       PRO  63  -3.467  -4.912 -15.919
  452   2HD   PRO  63          1HD       PRO  63  -3.585  -4.992 -14.148
  453    H    LEU  64           H        LEU  64   1.770  -6.169 -15.611
  454    HA   LEU  64           HA       LEU  64   2.204  -4.262 -17.667
  455   1HB   LEU  64          2HB       LEU  64   3.794  -5.220 -15.819
  456   2HB   LEU  64          1HB       LEU  64   4.130  -6.467 -16.999
  457    HG   LEU  64           HG       LEU  64   5.815  -4.645 -16.954
  458   1HD1  LEU  64          1HD1      LEU  64   5.923  -4.288 -19.376
  459   2HD1  LEU  64          2HD1      LEU  64   4.278  -4.912 -19.529
  460   3HD1  LEU  64          3HD1      LEU  64   5.574  -5.967 -18.964
  461   1HD2  LEU  64          1HD2      LEU  64   4.336  -2.792 -16.426
  462   2HD2  LEU  64          2HD2      LEU  64   3.553  -2.955 -17.998
  463   3HD2  LEU  64          3HD2      LEU  64   5.246  -2.471 -17.903
  464    H    GLY  65           H        GLY  65   2.246  -7.829 -17.624
  465   1HA   GLY  65          2HA       GLY  65   1.033  -8.016 -20.166
  466   2HA   GLY  65          1HA       GLY  65   2.768  -8.258 -20.313
  467    H    ASN  66           H        ASN  66   3.699  -9.878 -18.731
  468    HA   ASN  66           HA       ASN  66   2.080 -12.279 -19.002
  469   1HB   ASN  66          2HB       ASN  66   4.957 -11.954 -18.126
  470   2HB   ASN  66          1HB       ASN  66   4.148 -13.488 -18.429
  471   1HD2  ASN  66          1HD2      ASN  66   3.737 -14.121 -20.510
  472   2HD2  ASN  66          2HD2      ASN  66   4.446 -13.346 -21.886
  473    H    ASN  67           H        ASN  67   4.359 -11.395 -16.435
  474    HA   ASN  67           HA       ASN  67   2.293 -11.953 -14.437
  475   1HB   ASN  67          2HB       ASN  67   3.798 -13.437 -13.193
  476   2HB   ASN  67          1HB       ASN  67   3.472 -14.071 -14.798
  477   1HD2  ASN  67          1HD2      ASN  67   5.683 -14.602 -12.968
  478   2HD2  ASN  67          2HD2      ASN  67   7.125 -14.220 -13.837
  479    H    SER  68           H        SER  68   3.355  -9.446 -15.191
  480    HA   SER  68           HA       SER  68   4.495  -8.667 -12.620
  481   1HB   SER  68          2HB       SER  68   6.357  -8.788 -14.284
  482   2HB   SER  68          1HB       SER  68   5.466  -7.688 -15.333
  483    HG   SER  68           HG       SER  68   6.337  -7.077 -12.691
  484    H    TRP  69           H        TRP  69   4.304  -6.120 -12.528
  485    HA   TRP  69           HA       TRP  69   1.835  -5.238 -13.772
  486   1HB   TRP  69          2HB       TRP  69   2.108  -5.142 -10.763
  487   2HB   TRP  69          1HB       TRP  69   0.736  -4.623 -11.717
  488    HD1  TRP  69           HD       TRP  69   0.777  -7.638 -13.354
  489    HE1  TRP  69           1HE      TRP  69  -0.342  -9.574 -12.055
  490    HE3  TRP  69           3HE      TRP  69   0.858  -5.621  -8.705
  491    HZ2  TRP  69           2HZ      TRP  69  -1.139 -10.120  -9.401
  492    HZ3  TRP  69           3HZ      TRP  69  -0.100  -6.873  -6.834
  493    HH2  TRP  69           HH       TRP  69  -1.085  -9.085  -7.169
  494    H    THR  70           H        THR  70   1.518  -2.881 -13.281
  495    HA   THR  70           HA       THR  70   3.756  -1.589 -11.935
  496    HB   THR  70           HB       THR  70   4.333  -1.616 -14.377
  497    HG1  THR  70           1HG      THR  70   4.332   0.946 -14.311
  498   1HG2  THR  70          1HG2      THR  70   3.119  -0.111 -15.887
  499   2HG2  THR  70          2HG2      THR  70   1.930   0.201 -14.621
  500   3HG2  THR  70          3HG2      THR  70   2.083  -1.416 -15.312
  501    H    LEU  71           H        LEU  71   3.231   0.532 -11.161
  502    HA   LEU  71           HA       LEU  71   0.359   0.753 -10.686
  503   1HB   LEU  71          2HB       LEU  71   2.251   0.780  -8.890
  504   2HB   LEU  71          1HB       LEU  71   2.464   2.448  -9.376
  505    HG   LEU  71           HG       LEU  71   1.079   2.202  -7.348
  506   1HD1  LEU  71          1HD1      LEU  71  -0.423   3.292  -9.723
  507   2HD1  LEU  71          2HD1      LEU  71   0.766   4.160  -8.752
  508   3HD1  LEU  71          3HD1      LEU  71  -0.762   3.655  -8.030
  509   1HD2  LEU  71          1HD2      LEU  71   0.034   0.074  -7.845
  510   2HD2  LEU  71          2HD2      LEU  71  -0.846   0.795  -9.191
  511   3HD2  LEU  71          3HD2      LEU  71  -1.195   1.301  -7.537
  512    H    GLU  72           H        GLU  72  -0.511   1.745 -12.381
  513    HA   GLU  72           HA       GLU  72   0.510   4.353 -13.210
  514   1HB   GLU  72          2HB       GLU  72  -0.155   2.829 -14.988
  515   2HB   GLU  72          1HB       GLU  72  -1.767   2.692 -14.299
  516   1HG   GLU  72          2HG       GLU  72  -2.312   4.910 -14.871
  517   2HG   GLU  72          1HG       GLU  72  -0.633   5.310 -15.229
  518    HA   PRO  73           HA       PRO  73  -2.241   6.360 -10.328
  519   1HB   PRO  73          2HB       PRO  73  -1.627   8.737 -11.980
  520   2HB   PRO  73          1HB       PRO  73  -1.397   8.482 -10.248
  521   1HG   PRO  73          2HG       PRO  73   0.681   8.532 -11.924
  522   2HG   PRO  73          1HG       PRO  73   0.639   7.427 -10.537
  523   1HD   PRO  73          2HD       PRO  73   0.116   6.860 -13.430
  524   2HD   PRO  73          1HD       PRO  73   1.000   5.889 -12.232
  525    H    ALA  74           H        ALA  74  -4.327   5.988 -10.645
  526    HA   ALA  74           HA       ALA  74  -5.769   7.490 -12.659
  527   1HB   ALA  74          1HB       ALA  74  -5.263   5.420 -13.851
  528   2HB   ALA  74          2HB       ALA  74  -6.987   5.523 -13.492
  529   3HB   ALA  74          3HB       ALA  74  -5.948   4.476 -12.529
  530    HA   PRO  75           HA       PRO  75  -7.845   7.192  -8.670
  531   1HB   PRO  75          2HB       PRO  75  -8.342   9.903  -8.490
  532   2HB   PRO  75          1HB       PRO  75  -6.889   9.098  -7.892
  533   1HG   PRO  75          2HG       PRO  75  -7.136  10.927 -10.099
  534   2HG   PRO  75          1HG       PRO  75  -5.672  10.170  -9.459
  535   1HD   PRO  75          2HD       PRO  75  -7.276   9.439 -11.817
  536   2HD   PRO  75          1HD       PRO  75  -5.607   8.994 -11.404
  537    H    ALA  76           H        ALA  76  -9.208  10.009 -10.199
  538    HA   ALA  76           HA       ALA  76 -11.645   8.517 -10.897
  539   1HB   ALA  76          1HB       ALA  76 -12.977  10.483 -10.277
  540   2HB   ALA  76          2HB       ALA  76 -11.517  11.308  -9.734
  541   3HB   ALA  76          3HB       ALA  76 -12.079   9.865  -8.890
  542    HA   PRO  77           HA       PRO  77  -9.627  10.882 -14.277
  543   1HB   PRO  77          2HB       PRO  77  -8.880   8.700 -15.785
  544   2HB   PRO  77          1HB       PRO  77  -7.927   9.376 -14.457
  545   1HG   PRO  77          2HG       PRO  77  -9.256   6.830 -14.565
  546   2HG   PRO  77          1HG       PRO  77  -8.224   7.498 -13.285
  547   1HD   PRO  77          2HD       PRO  77 -11.166   7.403 -13.467
  548   2HD   PRO  77          1HD       PRO  77 -10.121   7.575 -12.040
  549    H    LYS  78           H        LYS  78 -12.056  11.294 -14.377
  550    HA   LYS  78           HA       LYS  78 -13.192  10.132 -16.839
  551   1HB   LYS  78          2HB       LYS  78 -14.601  10.970 -14.291
  552   2HB   LYS  78          1HB       LYS  78 -15.430  10.525 -15.776
  553   1HG   LYS  78          2HG       LYS  78 -14.731   8.278 -15.609
  554   2HG   LYS  78          1HG       LYS  78 -13.544   8.660 -14.360
  555   1HD   LYS  78          2HD       LYS  78 -16.524   8.985 -14.017
  556   2HD   LYS  78          1HD       LYS  78 -15.626   7.550 -13.516
  557   1HE   LYS  78          2HE       LYS  78 -14.264   8.914 -12.022
  558   2HE   LYS  78          1HE       LYS  78 -15.124  10.360 -12.545
  559   1HZ   LYS  78          1HZ       LYS  78 -15.883   9.409 -10.395
  560   2HZ   LYS  78          2HZ       LYS  78 -16.461   8.053 -11.234
  561   3HZ   LYS  78          3HZ       LYS  78 -17.112   9.590 -11.544
  562    H    GLU  79           H        GLU  79 -15.241  11.738 -17.331
  563    HA   GLU  79           HA       GLU  79 -14.055  14.404 -17.600
  564   1HB   GLU  79          2HB       GLU  79 -14.928  13.176 -19.618
  565   2HB   GLU  79          1HB       GLU  79 -16.538  13.297 -18.926
  566   1HG   GLU  79          2HG       GLU  79 -16.410  15.726 -19.026
  567   2HG   GLU  79          1HG       GLU  79 -14.780  15.616 -19.692
  568    H    ASP  80           H        ASP  80 -14.634  14.081 -15.117
  569    HA   ASP  80           HA       ASP  80 -17.175  15.455 -14.627
  570   1HB   ASP  80          2HB       ASP  80 -17.697  13.154 -14.175
  571   2HB   ASP  80          1HB       ASP  80 -16.206  12.934 -13.263
  Start of MODEL   19
    1   1H    ALA   1          1HT       ALA   1  -6.261 -19.092  -5.125
    2   2H    ALA   1          2HT       ALA   1  -6.876 -19.362  -6.683
    3   3H    ALA   1          3HT       ALA   1  -7.797 -19.781  -5.321
    4    HA   ALA   1           HA       ALA   1  -6.996 -17.032  -6.047
    5   1HB   ALA   1          1HB       ALA   1  -9.684 -18.378  -6.297
    6   2HB   ALA   1          2HB       ALA   1  -8.606 -17.984  -7.637
    7   3HB   ALA   1          3HB       ALA   1  -9.322 -16.693  -6.672
    8    H    GLN   2           H        GLN   2  -6.264 -17.038  -3.743
    9    HA   GLN   2           HA       GLN   2  -8.413 -15.997  -2.120
   10   1HB   GLN   2          2HB       GLN   2  -7.898 -17.421  -0.160
   11   2HB   GLN   2          1HB       GLN   2  -8.583 -18.329  -1.501
   12   1HG   GLN   2          2HG       GLN   2  -6.392 -19.164  -2.095
   13   2HG   GLN   2          1HG       GLN   2  -5.653 -18.190  -0.824
   14   1HE2  GLN   2          1HE2      GLN   2  -7.843 -18.697   1.042
   15   2HE2  GLN   2          2HE2      GLN   2  -7.626 -20.316   1.596
   16    H    VAL   3           H        VAL   3  -7.679 -14.734  -0.375
   17    HA   VAL   3           HA       VAL   3  -4.793 -14.263  -0.209
   18    HB   VAL   3           HB       VAL   3  -5.130 -11.805  -0.285
   19   1HG1  VAL   3          1HG1      VAL   3  -5.374 -11.603  -2.706
   20   2HG1  VAL   3          2HG1      VAL   3  -6.015 -13.246  -2.777
   21   3HG1  VAL   3          3HG1      VAL   3  -4.349 -12.970  -2.268
   22   1HG2  VAL   3          1HG2      VAL   3  -7.196 -10.882  -1.196
   23   2HG2  VAL   3          2HG2      VAL   3  -7.501 -11.755   0.305
   24   3HG2  VAL   3          3HG2      VAL   3  -7.905 -12.497  -1.243
   25    H    ASN   4           H        ASN   4  -4.134 -13.232   1.748
   26    HA   ASN   4           HA       ASN   4  -6.239 -12.911   3.759
   27   1HB   ASN   4          2HB       ASN   4  -4.686 -13.815   5.477
   28   2HB   ASN   4          1HB       ASN   4  -5.144 -15.017   4.283
   29   1HD2  ASN   4          1HD2      ASN   4  -2.827 -14.752   6.114
   30   2HD2  ASN   4          2HD2      ASN   4  -1.434 -14.910   5.099
   31    H    ILE   5           H        ILE   5  -6.301 -10.753   3.766
   32    HA   ILE   5           HA       ILE   5  -3.839  -9.319   4.475
   33    HB   ILE   5           HB       ILE   5  -5.827  -8.361   2.403
   34   1HG1  ILE   5          2HG1      ILE   5  -2.937  -9.210   2.079
   35   2HG1  ILE   5          1HG1      ILE   5  -4.334 -10.149   1.571
   36   1HG2  ILE   5          1HG2      ILE   5  -3.282  -7.082   3.396
   37   2HG2  ILE   5          2HG2      ILE   5  -4.922  -6.538   3.751
   38   3HG2  ILE   5          3HG2      ILE   5  -4.310  -6.472   2.098
   39   1HD1  ILE   5          1HD1      ILE   5  -4.932  -8.407  -0.025
   40   2HD1  ILE   5          2HD1      ILE   5  -3.296  -9.007  -0.304
   41   3HD1  ILE   5          3HD1      ILE   5  -3.542  -7.454   0.495
   42    H    ALA   6           H        ALA   6  -4.124  -8.224   6.266
   43    HA   ALA   6           HA       ALA   6  -6.791  -7.900   7.380
   44   1HB   ALA   6          1HB       ALA   6  -5.596  -7.154   9.398
   45   2HB   ALA   6          2HB       ALA   6  -4.066  -7.253   8.524
   46   3HB   ALA   6          3HB       ALA   6  -5.001  -8.717   8.832
   47    HA   PRO   7           HA       PRO   7  -7.039  -3.401   6.676
   48   1HB   PRO   7          2HB       PRO   7  -6.952  -3.063   9.631
   49   2HB   PRO   7          1HB       PRO   7  -8.107  -2.413   8.464
   50   1HG   PRO   7          2HG       PRO   7  -8.754  -4.442  10.080
   51   2HG   PRO   7          1HG       PRO   7  -9.349  -4.364   8.411
   52   1HD   PRO   7          2HD       PRO   7  -7.209  -6.069   9.588
   53   2HD   PRO   7          1HD       PRO   7  -8.348  -6.426   8.273
   54    H    GLY   8           H        GLY   8  -5.451  -1.694   6.589
   55   1HA   GLY   8          2HA       GLY   8  -3.122  -1.528   8.013
   56   2HA   GLY   8          1HA       GLY   8  -2.825  -2.767   6.797
   57    H    SER   9           H        SER   9  -1.521  -1.730   5.341
   58    HA   SER   9           HA       SER   9  -2.650   0.685   4.103
   59   1HB   SER   9          2HB       SER   9   0.293   0.083   4.484
   60   2HB   SER   9          1HB       SER   9  -0.386   1.530   3.737
   61    HG   SER   9           HG       SER   9  -0.482   2.323   5.664
   62    H    LEU  10           H        LEU  10  -2.151   0.953   1.748
   63    HA   LEU  10           HA       LEU  10  -2.535  -1.389   0.304
   64   1HB   LEU  10          2HB       LEU  10  -1.637   1.376  -0.379
   65   2HB   LEU  10          1HB       LEU  10  -1.531   0.128  -1.596
   66    HG   LEU  10           HG       LEU  10  -3.567   1.322  -1.938
   67   1HD1  LEU  10          1HD1      LEU  10  -5.228  -0.447  -1.714
   68   2HD1  LEU  10          2HD1      LEU  10  -4.159  -1.317  -0.617
   69   3HD1  LEU  10          3HD1      LEU  10  -3.688  -1.077  -2.298
   70   1HD2  LEU  10          1HD2      LEU  10  -5.300   1.512  -0.230
   71   2HD2  LEU  10          2HD2      LEU  10  -3.807   2.297   0.283
   72   3HD2  LEU  10          3HD2      LEU  10  -4.242   0.719   0.935
   73    H    ASP  11           H        ASP  11   0.406   0.364   1.085
   74    HA   ASP  11           HA       ASP  11   2.322  -0.852  -0.406
   75   1HB   ASP  11          2HB       ASP  11   2.942   0.915   1.064
   76   2HB   ASP  11          1HB       ASP  11   2.415   0.017   2.481
   77    H    LYS  12           H        LYS  12   1.256  -2.067   2.795
   78    HA   LYS  12           HA       LYS  12   2.837  -4.399   2.652
   79   1HB   LYS  12          2HB       LYS  12   2.030  -3.505   4.792
   80   2HB   LYS  12          1HB       LYS  12   0.374  -3.862   4.322
   81   1HG   LYS  12          2HG       LYS  12   1.217  -5.544   5.861
   82   2HG   LYS  12          1HG       LYS  12   0.895  -6.252   4.277
   83   1HD   LYS  12          2HD       LYS  12   2.970  -7.145   4.933
   84   2HD   LYS  12          1HD       LYS  12   3.367  -5.867   3.782
   85   1HE   LYS  12          2HE       LYS  12   4.875  -5.583   5.555
   86   2HE   LYS  12          1HE       LYS  12   3.640  -4.348   5.799
   87   1HZ   LYS  12          1HZ       LYS  12   2.551  -5.945   7.373
   88   2HZ   LYS  12          2HZ       LYS  12   4.057  -5.357   7.888
   89   3HZ   LYS  12          3HZ       LYS  12   3.933  -6.921   7.245
   90    H    ALA  13           H        ALA  13  -0.345  -3.626   1.431
   91    HA   ALA  13           HA       ALA  13  -1.336  -6.287   1.253
   92   1HB   ALA  13          1HB       ALA  13  -3.081  -5.329  -0.154
   93   2HB   ALA  13          2HB       ALA  13  -2.163  -3.829  -0.300
   94   3HB   ALA  13          3HB       ALA  13  -2.811  -4.316   1.267
   95    H    LEU  14           H        LEU  14  -0.198  -4.027  -1.281
   96    HA   LEU  14           HA       LEU  14   0.024  -5.886  -3.328
   97   1HB   LEU  14          2HB       LEU  14   1.650  -3.386  -2.863
   98   2HB   LEU  14          1HB       LEU  14   1.553  -4.257  -4.380
   99    HG   LEU  14           HG       LEU  14  -0.766  -2.880  -3.012
  100   1HD1  LEU  14          1HD1      LEU  14   0.840  -2.118  -5.446
  101   2HD1  LEU  14          2HD1      LEU  14   0.838  -1.285  -3.891
  102   3HD1  LEU  14          3HD1      LEU  14  -0.620  -1.304  -4.886
  103   1HD2  LEU  14          1HD2      LEU  14  -1.956  -3.343  -5.106
  104   2HD2  LEU  14          2HD2      LEU  14  -1.476  -4.828  -4.286
  105   3HD2  LEU  14          3HD2      LEU  14  -0.568  -4.261  -5.688
  106    H    ASN  15           H        ASN  15   2.375  -4.925  -0.874
  107    HA   ASN  15           HA       ASN  15   4.611  -6.326  -1.785
  108   1HB   ASN  15          2HB       ASN  15   4.631  -4.743   0.126
  109   2HB   ASN  15          1HB       ASN  15   3.736  -5.913   1.088
  110   1HD2  ASN  15          1HD2      ASN  15   6.790  -4.999  -0.182
  111   2HD2  ASN  15          2HD2      ASN  15   7.731  -6.210   0.621
  112    H    GLN  16           H        GLN  16   1.881  -7.363   0.181
  113    HA   GLN  16           HA       GLN  16   2.773  -9.966   0.737
  114   1HB   GLN  16          2HB       GLN  16   0.879  -8.715   1.855
  115   2HB   GLN  16          1HB       GLN  16  -0.101  -9.078   0.444
  116   1HG   GLN  16          2HG       GLN  16   1.213 -11.245   2.041
  117   2HG   GLN  16          1HG       GLN  16  -0.340 -10.561   2.506
  118   1HE2  GLN  16          1HE2      GLN  16  -1.247 -10.179  -0.226
  119   2HE2  GLN  16          2HE2      GLN  16  -1.615 -11.754  -0.847
  120    H    TYR  17           H        TYR  17   0.787  -8.687  -1.980
  121    HA   TYR  17           HA       TYR  17   0.137 -11.306  -2.895
  122   1HB   TYR  17          2HB       TYR  17  -1.102  -9.005  -3.263
  123   2HB   TYR  17          1HB       TYR  17  -0.061  -8.916  -4.683
  124    HD1  TYR  17           1HD      TYR  17  -0.034 -11.180  -6.133
  125    HD2  TYR  17           2HD      TYR  17  -3.167  -9.987  -3.512
  126    HE1  TYR  17           1HE      TYR  17  -1.590 -12.645  -7.336
  127    HE2  TYR  17           2HE      TYR  17  -4.731 -11.447  -4.717
  128    HH   TYR  17           HH       TYR  17  -4.934 -12.472  -6.970
  129    H    ALA  18           H        ALA  18   2.502  -8.834  -3.874
  130    HA   ALA  18           HA       ALA  18   3.571  -9.914  -6.119
  131   1HB   ALA  18          1HB       ALA  18   5.702  -8.929  -5.497
  132   2HB   ALA  18          2HB       ALA  18   5.174  -8.812  -3.819
  133   3HB   ALA  18          3HB       ALA  18   4.372  -7.854  -5.066
  134    H    ALA  19           H        ALA  19   4.317 -10.926  -2.829
  135    HA   ALA  19           HA       ALA  19   6.210 -12.900  -3.460
  136   1HB   ALA  19          1HB       ALA  19   4.366 -12.793  -1.084
  137   2HB   ALA  19          2HB       ALA  19   5.917 -11.965  -1.223
  138   3HB   ALA  19          3HB       ALA  19   5.856 -13.727  -1.211
  139    H    HIS  20           H        HIS  20   2.780 -12.933  -3.798
  140    HA   HIS  20           HA       HIS  20   2.182 -15.618  -3.343
  141   1HB   HIS  20          2HB       HIS  20   0.603 -13.610  -3.797
  142   2HB   HIS  20          1HB       HIS  20   0.812 -14.023  -5.495
  143    HD1  HIS  20           1HD      HIS  20  -1.408 -15.054  -6.092
  144    HD2  HIS  20           2HD      HIS  20   0.160 -16.527  -2.555
  145    HE1  HIS  20           1HE      HIS  20  -2.990 -16.863  -5.363
  146    HE2  HIS  20           2HE      HIS  20  -2.119 -17.614  -3.118
  147    H    SER  21           H        SER  21   2.660 -14.088  -6.551
  148    HA   SER  21           HA       SER  21   3.192 -16.758  -7.619
  149   1HB   SER  21          2HB       SER  21   1.424 -15.244  -8.646
  150   2HB   SER  21          1HB       SER  21   2.748 -14.228  -9.215
  151    HG   SER  21           HG       SER  21   2.453 -15.578 -10.875
  152    H    GLY  22           H        GLY  22   4.862 -14.084  -6.539
  153   1HA   GLY  22          2HA       GLY  22   7.120 -13.608  -6.550
  154   2HA   GLY  22          1HA       GLY  22   7.368 -15.068  -7.494
  155    H    PHE  23           H        PHE  23   5.760 -11.926  -8.003
  156    HA   PHE  23           HA       PHE  23   7.114 -11.793 -10.618
  157   1HB   PHE  23          2HB       PHE  23   5.136 -10.330 -11.279
  158   2HB   PHE  23          1HB       PHE  23   4.803 -12.045 -11.074
  159    HD1  PHE  23           1HD      PHE  23   3.237 -12.800  -9.488
  160    HD2  PHE  23           2HD      PHE  23   4.496  -8.738  -9.473
  161    HE1  PHE  23           1HE      PHE  23   1.437 -12.250  -7.905
  162    HE2  PHE  23           2HE      PHE  23   2.701  -8.178  -7.896
  163    HZ   PHE  23           HZ       PHE  23   1.179  -9.979  -7.082
  164    H    THR  24           H        THR  24   7.149  -9.433 -11.453
  165    HA   THR  24           HA       THR  24   8.416  -7.852  -9.359
  166    HB   THR  24           HB       THR  24   8.351  -7.343 -12.339
  167    HG1  THR  24           1HG      THR  24   9.866  -8.812 -12.499
  168   1HG2  THR  24          1HG2      THR  24   8.895  -5.385 -10.927
  169   2HG2  THR  24          2HG2      THR  24  10.260  -5.903 -11.917
  170   3HG2  THR  24          3HG2      THR  24  10.212  -6.302 -10.199
  171    H    LEU  25           H        LEU  25   7.116  -6.516  -8.281
  172    HA   LEU  25           HA       LEU  25   4.880  -5.239  -9.653
  173   1HB   LEU  25          2HB       LEU  25   4.881  -6.325  -7.270
  174   2HB   LEU  25          1HB       LEU  25   5.548  -4.777  -6.782
  175    HG   LEU  25           HG       LEU  25   2.995  -4.931  -8.363
  176   1HD1  LEU  25          1HD1      LEU  25   3.287  -5.054  -5.370
  177   2HD1  LEU  25          2HD1      LEU  25   2.734  -6.364  -6.413
  178   3HD1  LEU  25          3HD1      LEU  25   1.776  -4.892  -6.263
  179   1HD2  LEU  25          1HD2      LEU  25   4.104  -2.744  -8.150
  180   2HD2  LEU  25          2HD2      LEU  25   4.063  -2.904  -6.392
  181   3HD2  LEU  25          3HD2      LEU  25   2.557  -2.783  -7.304
  182    H    SER  26           H        SER  26   5.132  -3.304 -10.515
  183    HA   SER  26           HA       SER  26   7.531  -1.769  -9.788
  184   1HB   SER  26          2HB       SER  26   5.946  -1.812 -12.365
  185   2HB   SER  26          1HB       SER  26   7.287  -0.716 -12.045
  186    HG   SER  26           HG       SER  26   8.599  -2.586 -11.707
  187    H    VAL  27           H        VAL  27   6.965  -0.355  -8.269
  188    HA   VAL  27           HA       VAL  27   4.957   1.642  -8.996
  189    HB   VAL  27           HB       VAL  27   3.763   0.215  -7.473
  190   1HG1  VAL  27          1HG1      VAL  27   4.568  -0.226  -5.186
  191   2HG1  VAL  27          2HG1      VAL  27   6.101   0.541  -5.602
  192   3HG1  VAL  27          3HG1      VAL  27   5.607  -0.939  -6.423
  193   1HG2  VAL  27          1HG2      VAL  27   3.281   1.775  -5.636
  194   2HG2  VAL  27          2HG2      VAL  27   3.378   2.592  -7.196
  195   3HG2  VAL  27          3HG2      VAL  27   4.722   2.699  -6.061
  196    H    ASP  28           H        ASP  28   5.689   3.634  -8.788
  197    HA   ASP  28           HA       ASP  28   8.274   4.185  -7.713
  198   1HB   ASP  28          2HB       ASP  28   7.467   5.506  -9.571
  199   2HB   ASP  28          1HB       ASP  28   6.059   6.025  -8.649
  200    H    ALA  29           H        ALA  29   8.780   4.475  -5.684
  201    HA   ALA  29           HA       ALA  29   7.001   4.546  -3.532
  202   1HB   ALA  29          1HB       ALA  29   8.945   5.069  -2.164
  203   2HB   ALA  29          2HB       ALA  29   9.866   5.473  -3.612
  204   3HB   ALA  29          3HB       ALA  29   9.323   3.815  -3.346
  205    H    SER  30           H        SER  30   5.520   6.196  -4.291
  206    HA   SER  30           HA       SER  30   5.761   8.575  -2.827
  207   1HB   SER  30          2HB       SER  30   7.298   9.209  -4.683
  208   2HB   SER  30          1HB       SER  30   5.983   8.954  -5.828
  209    HG   SER  30           HG       SER  30   6.497  11.083  -4.197
  210    H    LEU  31           H        LEU  31   4.290   6.732  -5.390
  211    HA   LEU  31           HA       LEU  31   1.834   8.086  -5.598
  212   1HB   LEU  31          2HB       LEU  31   2.370   5.135  -5.972
  213   2HB   LEU  31          1HB       LEU  31   0.990   6.021  -6.587
  214    HG   LEU  31           HG       LEU  31   3.852   6.446  -7.443
  215   1HD1  LEU  31          1HD1      LEU  31   2.941   4.308  -8.197
  216   2HD1  LEU  31          2HD1      LEU  31   3.146   5.429  -9.543
  217   3HD1  LEU  31          3HD1      LEU  31   1.541   5.140  -8.873
  218   1HD2  LEU  31          1HD2      LEU  31   1.288   7.624  -8.503
  219   2HD2  LEU  31          2HD2      LEU  31   2.901   7.875  -9.172
  220   3HD2  LEU  31          3HD2      LEU  31   2.507   8.484  -7.563
  221    H    THR  32           H        THR  32   2.712   5.191  -3.735
  222    HA   THR  32           HA       THR  32   0.231   5.360  -2.221
  223    HB   THR  32           HB       THR  32   1.283   3.230  -1.146
  224    HG1  THR  32           1HG      THR  32   3.367   3.356  -1.940
  225   1HG2  THR  32          1HG2      THR  32   0.460   1.847  -3.003
  226   2HG2  THR  32          2HG2      THR  32   0.454   3.265  -4.051
  227   3HG2  THR  32          3HG2      THR  32  -0.634   3.190  -2.667
  228    H    ARG  33           H        ARG  33   1.475   7.541  -1.577
  229    HA   ARG  33           HA       ARG  33   3.307   7.335   0.583
  230   1HB   ARG  33          2HB       ARG  33   2.679   9.746   0.928
  231   2HB   ARG  33          1HB       ARG  33   3.271   9.366  -0.676
  232   1HG   ARG  33          2HG       ARG  33   0.886   9.243  -1.425
  233   2HG   ARG  33          1HG       ARG  33   0.423   9.853   0.163
  234   1HD   ARG  33          2HD       ARG  33   0.519  11.673  -1.428
  235   2HD   ARG  33          1HD       ARG  33   1.801  11.850  -0.227
  236    HE   ARG  33           HE       ARG  33   2.703  10.440  -2.535
  237   1HH1  ARG  33          1HH1      ARG  33   1.984  13.646  -1.322
  238   2HH1  ARG  33          2HH1      ARG  33   3.110  14.442  -2.383
  239   1HH2  ARG  33          1HH2      ARG  33   4.178  11.475  -3.935
  240   2HH2  ARG  33          2HH2      ARG  33   4.347  13.202  -3.881
  241    H    GLY  34           H        GLY  34   2.751   6.347   2.432
  242   1HA   GLY  34          2HA       GLY  34   1.496   5.654   4.239
  243   2HA   GLY  34          1HA       GLY  34   0.448   7.042   3.953
  244    H    LYS  35           H        LYS  35  -1.401   6.810   2.820
  245    HA   LYS  35           HA       LYS  35  -3.204   5.864   1.851
  246   1HB   LYS  35          2HB       LYS  35  -1.354   5.869   0.071
  247   2HB   LYS  35          1HB       LYS  35  -1.258   4.141   0.356
  248   1HG   LYS  35          2HG       LYS  35  -2.662   4.511  -1.534
  249   2HG   LYS  35          1HG       LYS  35  -3.683   3.986  -0.189
  250   1HD   LYS  35          2HD       LYS  35  -4.217   6.352   0.283
  251   2HD   LYS  35          1HD       LYS  35  -3.267   6.825  -1.124
  252   1HE   LYS  35          2HE       LYS  35  -4.769   5.668  -2.593
  253   2HE   LYS  35          1HE       LYS  35  -5.648   4.983  -1.226
  254   1HZ   LYS  35          1HZ       LYS  35  -5.492   7.882  -1.892
  255   2HZ   LYS  35          2HZ       LYS  35  -6.345   7.203  -0.593
  256   3HZ   LYS  35          3HZ       LYS  35  -6.825   6.869  -2.183
  257    H    GLN  36           H        GLN  36  -4.286   4.712   3.458
  258    HA   GLN  36           HA       GLN  36  -3.303   2.025   4.042
  259   1HB   GLN  36          2HB       GLN  36  -4.555   2.155   6.093
  260   2HB   GLN  36          1HB       GLN  36  -3.567   3.602   5.939
  261   1HG   GLN  36          2HG       GLN  36  -5.447   4.913   5.305
  262   2HG   GLN  36          1HG       GLN  36  -6.465   3.480   5.166
  263   1HE2  GLN  36          1HE2      GLN  36  -5.300   2.294   7.576
  264   2HE2  GLN  36          2HE2      GLN  36  -5.993   3.143   8.912
  265    H    SER  37           H        SER  37  -4.832   0.252   4.196
  266    HA   SER  37           HA       SER  37  -7.291   0.714   2.677
  267   1HB   SER  37          2HB       SER  37  -5.562  -0.367   1.235
  268   2HB   SER  37          1HB       SER  37  -5.427  -1.669   2.415
  269    HG   SER  37           HG       SER  37  -7.223  -1.354   0.439
  270    H    ASN  38           H        ASN  38  -9.032  -0.281   3.520
  271    HA   ASN  38           HA       ASN  38  -8.988  -1.142   6.186
  272   1HB   ASN  38          2HB       ASN  38 -11.098  -1.311   4.047
  273   2HB   ASN  38          1HB       ASN  38 -11.378  -1.862   5.695
  274   1HD2  ASN  38          1HD2      ASN  38  -9.277   0.873   5.101
  275   2HD2  ASN  38          2HD2      ASN  38 -10.379   2.078   5.680
  276    H    GLY  39           H        GLY  39  -8.233  -2.874   3.395
  277   1HA   GLY  39          2HA       GLY  39  -6.900  -4.884   4.019
  278   2HA   GLY  39          1HA       GLY  39  -8.275  -5.348   5.008
  279    H    LEU  40           H        LEU  40  -7.748  -7.341   3.545
  280    HA   LEU  40           HA       LEU  40  -9.784  -7.466   1.562
  281   1HB   LEU  40          2HB       LEU  40  -7.998  -6.465   0.211
  282   2HB   LEU  40          1HB       LEU  40  -6.888  -7.721   0.725
  283    HG   LEU  40           HG       LEU  40  -8.320  -9.398  -0.427
  284   1HD1  LEU  40          1HD1      LEU  40 -10.418  -8.156  -0.366
  285   2HD1  LEU  40          2HD1      LEU  40  -9.996  -8.630  -2.012
  286   3HD1  LEU  40          3HD1      LEU  40  -9.747  -6.965  -1.481
  287   1HD2  LEU  40          1HD2      LEU  40  -6.344  -8.494  -1.521
  288   2HD2  LEU  40          2HD2      LEU  40  -7.291  -7.144  -2.147
  289   3HD2  LEU  40          3HD2      LEU  40  -7.631  -8.788  -2.690
  290    H    HIS  41           H        HIS  41 -10.666  -9.340   2.297
  291    HA   HIS  41           HA       HIS  41  -8.899 -11.649   2.498
  292   1HB   HIS  41          2HB       HIS  41  -9.950 -12.310   4.703
  293   2HB   HIS  41          1HB       HIS  41  -8.802 -10.981   4.764
  294    HD1  HIS  41           1HD      HIS  41 -12.376 -11.832   5.328
  295    HD2  HIS  41           2HD      HIS  41  -9.934  -8.467   5.412
  296    HE1  HIS  41           1HE      HIS  41 -13.710 -10.055   6.514
  297    HE2  HIS  41           2HE      HIS  41 -12.089  -8.150   6.806
  298    H    GLY  42           H        GLY  42  -9.794 -12.630   0.875
  299   1HA   GLY  42          2HA       GLY  42 -12.164 -14.139   1.368
  300   2HA   GLY  42          1HA       GLY  42 -12.434 -12.909   0.139
  301    H    ASP  43           H        ASP  43 -12.857 -15.052  -1.024
  302    HA   ASP  43           HA       ASP  43 -10.453 -16.306  -2.044
  303   1HB   ASP  43          2HB       ASP  43 -13.348 -16.526  -2.913
  304   2HB   ASP  43          1HB       ASP  43 -12.028 -17.464  -3.604
  305    H    TYR  44           H        TYR  44  -9.499 -14.262  -2.676
  306    HA   TYR  44           HA       TYR  44 -10.614 -13.142  -5.156
  307   1HB   TYR  44          2HB       TYR  44  -8.823 -11.940  -3.048
  308   2HB   TYR  44          1HB       TYR  44  -9.047 -11.199  -4.625
  309    HD1  TYR  44           1HD      TYR  44 -10.560 -11.894  -1.379
  310    HD2  TYR  44           2HD      TYR  44 -11.200 -10.182  -5.218
  311    HE1  TYR  44           1HE      TYR  44 -12.576 -10.775  -0.536
  312    HE2  TYR  44           2HE      TYR  44 -13.219  -9.052  -4.384
  313    HH   TYR  44           HH       TYR  44 -13.968  -8.828  -1.078
  314    H    ASP  45           H        ASP  45  -9.612 -13.694  -6.957
  315    HA   ASP  45           HA       ASP  45  -6.852 -14.604  -6.876
  316   1HB   ASP  45          2HB       ASP  45  -8.739 -15.651  -8.296
  317   2HB   ASP  45          1HB       ASP  45  -8.520 -14.270  -9.365
  318    H    VAL  46           H        VAL  46  -6.096 -13.580  -9.481
  319    HA   VAL  46           HA       VAL  46  -4.672 -11.374  -8.595
  320    HB   VAL  46           HB       VAL  46  -5.328 -11.983 -11.480
  321   1HG1  VAL  46          1HG1      VAL  46  -4.309  -9.787 -11.136
  322   2HG1  VAL  46          2HG1      VAL  46  -3.196 -10.885 -11.953
  323   3HG1  VAL  46          3HG1      VAL  46  -2.988 -10.535 -10.237
  324   1HG2  VAL  46          1HG2      VAL  46  -3.271 -13.314 -11.477
  325   2HG2  VAL  46          2HG2      VAL  46  -4.464 -13.962 -10.349
  326   3HG2  VAL  46          3HG2      VAL  46  -3.092 -13.031  -9.746
  327    H    GLU  47           H        GLU  47  -7.186 -11.125 -11.161
  328    HA   GLU  47           HA       GLU  47  -7.094  -8.328 -11.165
  329   1HB   GLU  47          2HB       GLU  47  -9.058  -8.458 -12.619
  330   2HB   GLU  47          1HB       GLU  47  -7.825  -9.619 -13.079
  331   1HG   GLU  47          2HG       GLU  47  -9.095 -11.373 -11.880
  332   2HG   GLU  47          1HG       GLU  47 -10.366 -10.189 -11.589
  333    H    SER  48           H        SER  48  -9.301 -10.532  -9.480
  334    HA   SER  48           HA       SER  48 -11.216  -8.526  -8.858
  335   1HB   SER  48          2HB       SER  48 -10.757 -11.220  -7.556
  336   2HB   SER  48          1HB       SER  48 -12.211 -10.234  -7.422
  337    HG   SER  48           HG       SER  48 -12.837 -10.864  -9.343
  338    H    GLY  49           H        GLY  49  -8.286  -9.653  -7.376
  339   1HA   GLY  49          2HA       GLY  49  -8.888  -8.534  -4.770
  340   2HA   GLY  49          1HA       GLY  49  -7.368  -9.268  -5.271
  341    H    LEU  50           H        LEU  50  -7.275  -7.630  -7.703
  342    HA   LEU  50           HA       LEU  50  -5.830  -5.426  -6.590
  343   1HB   LEU  50          2HB       LEU  50  -6.515  -6.139  -9.442
  344   2HB   LEU  50          1HB       LEU  50  -5.446  -4.831  -8.977
  345    HG   LEU  50           HG       LEU  50  -4.973  -7.770  -8.491
  346   1HD1  LEU  50          1HD1      LEU  50  -3.605  -5.797 -10.316
  347   2HD1  LEU  50          2HD1      LEU  50  -4.665  -7.114 -10.817
  348   3HD1  LEU  50          3HD1      LEU  50  -3.113  -7.468 -10.057
  349   1HD2  LEU  50          1HD2      LEU  50  -3.273  -5.376  -7.800
  350   2HD2  LEU  50          2HD2      LEU  50  -2.783  -7.062  -7.642
  351   3HD2  LEU  50          3HD2      LEU  50  -4.103  -6.433  -6.656
  352    H    GLN  51           H        GLN  51  -8.779  -5.795  -8.532
  353    HA   GLN  51           HA       GLN  51  -9.477  -3.127  -8.796
  354   1HB   GLN  51          2HB       GLN  51 -10.640  -4.906  -9.976
  355   2HB   GLN  51          1HB       GLN  51 -11.271  -5.541  -8.463
  356   1HG   GLN  51          2HG       GLN  51 -12.982  -4.315  -9.660
  357   2HG   GLN  51          1HG       GLN  51 -12.576  -3.490  -8.155
  358   1HE2  GLN  51          1HE2      GLN  51 -11.491  -1.528  -8.231
  359   2HE2  GLN  51          2HE2      GLN  51 -11.380  -0.595  -9.684
  360    H    GLN  52           H        GLN  52 -10.134  -5.339  -6.101
  361    HA   GLN  52           HA       GLN  52 -11.788  -3.583  -4.648
  362   1HB   GLN  52          2HB       GLN  52 -11.672  -5.980  -4.182
  363   2HB   GLN  52          1HB       GLN  52 -10.009  -5.809  -3.650
  364   1HG   GLN  52          2HG       GLN  52 -11.377  -5.990  -1.721
  365   2HG   GLN  52          1HG       GLN  52 -10.809  -4.328  -1.819
  366   1HE2  GLN  52          1HE2      GLN  52 -12.737  -3.560  -3.875
  367   2HE2  GLN  52          2HE2      GLN  52 -14.265  -3.458  -3.077
  368    H    LEU  53           H        LEU  53  -8.293  -4.202  -4.429
  369    HA   LEU  53           HA       LEU  53  -7.729  -2.475  -2.311
  370   1HB   LEU  53          2HB       LEU  53  -5.994  -3.322  -4.628
  371   2HB   LEU  53          1HB       LEU  53  -5.401  -2.469  -3.216
  372    HG   LEU  53           HG       LEU  53  -6.664  -5.212  -3.210
  373   1HD1  LEU  53          1HD1      LEU  53  -3.801  -4.358  -2.814
  374   2HD1  LEU  53          2HD1      LEU  53  -4.449  -5.201  -4.221
  375   3HD1  LEU  53          3HD1      LEU  53  -4.425  -5.999  -2.648
  376   1HD2  LEU  53          1HD2      LEU  53  -5.416  -3.625  -0.970
  377   2HD2  LEU  53          2HD2      LEU  53  -5.974  -5.294  -0.866
  378   3HD2  LEU  53          3HD2      LEU  53  -7.131  -3.992  -1.153
  379    H    LEU  54           H        LEU  54  -8.453  -1.735  -5.609
  380    HA   LEU  54           HA       LEU  54  -7.117   0.807  -5.639
  381   1HB   LEU  54          2HB       LEU  54  -9.126  -0.434  -7.508
  382   2HB   LEU  54          1HB       LEU  54  -8.419   1.149  -7.765
  383    HG   LEU  54           HG       LEU  54  -6.927  -1.472  -7.693
  384   1HD1  LEU  54          1HD1      LEU  54  -8.291  -1.085  -9.706
  385   2HD1  LEU  54          2HD1      LEU  54  -6.561  -1.085 -10.042
  386   3HD1  LEU  54          3HD1      LEU  54  -7.442   0.441  -9.964
  387   1HD2  LEU  54          1HD2      LEU  54  -5.606   0.364  -6.750
  388   2HD2  LEU  54          2HD2      LEU  54  -5.916   1.327  -8.195
  389   3HD2  LEU  54          3HD2      LEU  54  -4.969  -0.156  -8.312
  390    H    ASP  55           H        ASP  55 -10.152  -0.286  -4.479
  391    HA   ASP  55           HA       ASP  55 -11.701   2.024  -5.001
  392   1HB   ASP  55          2HB       ASP  55 -12.716  -0.147  -4.436
  393   2HB   ASP  55          1HB       ASP  55 -12.054  -0.032  -2.807
  394    H    GLY  56           H        GLY  56 -10.941   3.933  -4.398
  395   1HA   GLY  56          2HA       GLY  56 -11.068   5.435  -2.401
  396   2HA   GLY  56          1HA       GLY  56 -10.048   4.248  -1.597
  397    H    SER  57           H        SER  57  -8.976   4.201  -4.639
  398    HA   SER  57           HA       SER  57  -7.027   6.369  -4.179
  399   1HB   SER  57          2HB       SER  57  -6.540   3.850  -5.782
  400   2HB   SER  57          1HB       SER  57  -5.347   5.026  -5.229
  401    HG   SER  57           HG       SER  57  -6.175   2.846  -4.007
  402    H    GLY  58           H        GLY  58  -5.982   7.117  -6.261
  403   1HA   GLY  58          2HA       GLY  58  -7.925   7.066  -8.488
  404   2HA   GLY  58          1HA       GLY  58  -6.848   8.416  -8.139
  405    H    LEU  59           H        LEU  59  -5.711   5.191  -7.741
  406    HA   LEU  59           HA       LEU  59  -3.914   5.588 -10.028
  407   1HB   LEU  59          2HB       LEU  59  -3.739   3.670  -7.700
  408   2HB   LEU  59          1HB       LEU  59  -2.545   3.826  -8.975
  409    HG   LEU  59           HG       LEU  59  -3.271   6.021  -7.032
  410   1HD1  LEU  59          1HD1      LEU  59  -1.141   5.570  -5.966
  411   2HD1  LEU  59          2HD1      LEU  59  -0.844   4.233  -7.079
  412   3HD1  LEU  59          3HD1      LEU  59  -2.168   4.138  -5.917
  413   1HD2  LEU  59          1HD2      LEU  59  -2.459   6.852  -9.177
  414   2HD2  LEU  59          2HD2      LEU  59  -1.041   5.811  -9.052
  415   3HD2  LEU  59          3HD2      LEU  59  -1.275   7.127  -7.901
  416    H    GLN  60           H        GLN  60  -3.230   3.365 -11.004
  417    HA   GLN  60           HA       GLN  60  -5.492   1.526 -11.184
  418   1HB   GLN  60          2HB       GLN  60  -3.978   2.748 -13.494
  419   2HB   GLN  60          1HB       GLN  60  -4.861   1.235 -13.656
  420   1HG   GLN  60          2HG       GLN  60  -6.920   2.435 -12.957
  421   2HG   GLN  60          1HG       GLN  60  -5.995   3.936 -12.956
  422   1HE2  GLN  60          1HE2      GLN  60  -7.267   4.854 -14.556
  423   2HE2  GLN  60          2HE2      GLN  60  -7.192   4.345 -16.208
  424    H    VAL  61           H        VAL  61  -4.730  -0.386 -10.485
  425    HA   VAL  61           HA       VAL  61  -1.920  -1.015 -10.801
  426    HB   VAL  61           HB       VAL  61  -2.908  -1.667  -8.695
  427   1HG1  VAL  61          1HG1      VAL  61  -4.814  -3.363 -10.293
  428   2HG1  VAL  61          2HG1      VAL  61  -5.221  -1.919  -9.367
  429   3HG1  VAL  61          3HG1      VAL  61  -4.658  -3.371  -8.538
  430   1HG2  VAL  61          1HG2      VAL  61  -2.313  -4.065 -10.423
  431   2HG2  VAL  61          2HG2      VAL  61  -2.320  -4.055  -8.657
  432   3HG2  VAL  61          3HG2      VAL  61  -1.142  -3.084  -9.540
  433    H    LYS  62           H        LYS  62  -1.180  -1.888 -12.583
  434    HA   LYS  62           HA       LYS  62  -3.004  -3.451 -14.257
  435   1HB   LYS  62          2HB       LYS  62  -3.058  -1.048 -14.932
  436   2HB   LYS  62          1HB       LYS  62  -1.328  -1.130 -15.232
  437   1HG   LYS  62          2HG       LYS  62  -1.681  -2.763 -16.971
  438   2HG   LYS  62          1HG       LYS  62  -3.408  -2.769 -16.644
  439   1HD   LYS  62          2HD       LYS  62  -3.007  -1.382 -18.563
  440   2HD   LYS  62          1HD       LYS  62  -3.457  -0.342 -17.210
  441   1HE   LYS  62          2HE       LYS  62  -1.134   0.213 -16.822
  442   2HE   LYS  62          1HE       LYS  62  -0.630  -0.900 -18.093
  443   1HZ   LYS  62          1HZ       LYS  62  -0.593   1.176 -19.103
  444   2HZ   LYS  62          2HZ       LYS  62  -2.020   1.697 -18.352
  445   3HZ   LYS  62          3HZ       LYS  62  -2.089   0.547 -19.599
  446    HA   PRO  63           HA       PRO  63   0.597  -6.098 -14.536
  447   1HB   PRO  63          2HB       PRO  63  -0.763  -6.879 -17.073
  448   2HB   PRO  63          1HB       PRO  63  -0.165  -7.899 -15.761
  449   1HG   PRO  63          2HG       PRO  63  -2.775  -7.461 -16.046
  450   2HG   PRO  63          1HG       PRO  63  -2.034  -7.522 -14.433
  451   1HD   PRO  63          2HD       PRO  63  -2.919  -5.154 -16.031
  452   2HD   PRO  63          1HD       PRO  63  -3.025  -5.443 -14.282
  453    H    LEU  64           H        LEU  64   2.516  -5.640 -15.383
  454    HA   LEU  64           HA       LEU  64   2.904  -3.416 -17.072
  455   1HB   LEU  64          2HB       LEU  64   4.482  -4.410 -15.328
  456   2HB   LEU  64          1HB       LEU  64   4.908  -5.608 -16.530
  457    HG   LEU  64           HG       LEU  64   6.493  -3.639 -16.237
  458   1HD1  LEU  64          1HD1      LEU  64   6.946  -3.442 -18.641
  459   2HD1  LEU  64          2HD1      LEU  64   5.395  -4.209 -18.987
  460   3HD1  LEU  64          3HD1      LEU  64   6.660  -5.112 -18.151
  461   1HD2  LEU  64          1HD2      LEU  64   4.815  -1.881 -16.096
  462   2HD2  LEU  64          2HD2      LEU  64   4.307  -2.220 -17.749
  463   3HD2  LEU  64          3HD2      LEU  64   5.924  -1.590 -17.437
  464    H    GLY  65           H        GLY  65   2.800  -6.862 -17.635
  465   1HA   GLY  65          2HA       GLY  65   1.932  -6.640 -20.276
  466   2HA   GLY  65          1HA       GLY  65   3.676  -6.892 -20.305
  467    H    ASN  66           H        ASN  66   4.313  -8.642 -18.568
  468    HA   ASN  66           HA       ASN  66   2.400 -10.853 -18.600
  469   1HB   ASN  66          2HB       ASN  66   5.119 -10.840 -19.841
  470   2HB   ASN  66          1HB       ASN  66   4.526 -12.324 -19.103
  471   1HD2  ASN  66          1HD2      ASN  66   4.108 -10.043 -21.698
  472   2HD2  ASN  66          2HD2      ASN  66   3.028 -11.018 -22.641
  473    H    ASN  67           H        ASN  67   2.210 -11.695 -16.664
  474    HA   ASN  67           HA       ASN  67   2.744 -12.695 -14.694
  475   1HB   ASN  67          2HB       ASN  67   4.787 -13.548 -15.725
  476   2HB   ASN  67          1HB       ASN  67   5.615 -12.035 -15.375
  477   1HD2  ASN  67          1HD2      ASN  67   7.191 -12.989 -14.128
  478   2HD2  ASN  67          2HD2      ASN  67   6.867 -13.641 -12.555
  479    H    SER  68           H        SER  68   4.029  -9.475 -15.306
  480    HA   SER  68           HA       SER  68   4.203  -9.031 -12.407
  481   1HB   SER  68          2HB       SER  68   5.900  -7.898 -14.643
  482   2HB   SER  68          1HB       SER  68   5.987  -7.367 -12.960
  483    HG   SER  68           HG       SER  68   7.064  -9.575 -14.149
  484    H    TRP  69           H        TRP  69   4.375  -6.285 -12.296
  485    HA   TRP  69           HA       TRP  69   1.910  -5.375 -13.562
  486   1HB   TRP  69          2HB       TRP  69   2.226  -5.344 -10.555
  487   2HB   TRP  69          1HB       TRP  69   0.891  -4.668 -11.463
  488    HD1  TRP  69           HD       TRP  69   0.717  -7.603 -13.252
  489    HE1  TRP  69           1HE      TRP  69  -0.573  -9.488 -12.048
  490    HE3  TRP  69           3HE      TRP  69   0.902  -5.787  -8.512
  491    HZ2  TRP  69           2HZ      TRP  69  -1.435 -10.088  -9.421
  492    HZ3  TRP  69           3HZ      TRP  69  -0.175  -7.042  -6.705
  493    HH2  TRP  69           HH       TRP  69  -1.329  -9.157  -7.146
  494    H    THR  70           H        THR  70   1.517  -3.056 -13.098
  495    HA   THR  70           HA       THR  70   3.596  -1.650 -11.623
  496    HB   THR  70           HB       THR  70   4.370  -1.630 -14.010
  497    HG1  THR  70           1HG      THR  70   4.570   0.199 -12.351
  498   1HG2  THR  70          1HG2      THR  70   2.172  -1.596 -15.102
  499   2HG2  THR  70          2HG2      THR  70   3.172  -0.246 -15.635
  500   3HG2  THR  70          3HG2      THR  70   1.883   0.025 -14.465
  501    H    LEU  71           H        LEU  71   2.842   0.383 -10.783
  502    HA   LEU  71           HA       LEU  71  -0.058   0.688 -10.941
  503   1HB   LEU  71          2HB       LEU  71   2.020   1.960  -9.171
  504   2HB   LEU  71          1HB       LEU  71   0.355   2.508  -9.211
  505    HG   LEU  71           HG       LEU  71   1.360  -0.193  -8.315
  506   1HD1  LEU  71          1HD1      LEU  71   1.608   1.576  -6.668
  507   2HD1  LEU  71          2HD1      LEU  71   0.315   0.474  -6.190
  508   3HD1  LEU  71          3HD1      LEU  71  -0.077   2.042  -6.892
  509   1HD2  LEU  71          1HD2      LEU  71  -0.985  -0.734  -7.853
  510   2HD2  LEU  71          2HD2      LEU  71  -0.709  -0.485  -9.578
  511   3HD2  LEU  71          3HD2      LEU  71  -1.481   0.777  -8.615
  512    H    GLU  72           H        GLU  72  -0.555   1.600 -12.778
  513    HA   GLU  72           HA       GLU  72   0.827   3.937 -13.770
  514   1HB   GLU  72          2HB       GLU  72  -0.030   2.244 -15.324
  515   2HB   GLU  72          1HB       GLU  72  -1.668   2.548 -14.766
  516   1HG   GLU  72          2HG       GLU  72  -1.648   4.750 -15.694
  517   2HG   GLU  72          1HG       GLU  72   0.067   4.619 -16.088
  518    HA   PRO  73           HA       PRO  73  -1.925   6.646 -11.501
  519   1HB   PRO  73          2HB       PRO  73  -0.362   8.814 -12.654
  520   2HB   PRO  73          1HB       PRO  73  -0.469   8.304 -10.969
  521   1HG   PRO  73          2HG       PRO  73   1.776   7.992 -12.463
  522   2HG   PRO  73          1HG       PRO  73   1.330   6.891 -11.146
  523   1HD   PRO  73          2HD       PRO  73   0.976   6.548 -14.105
  524   2HD   PRO  73          1HD       PRO  73   1.515   5.364 -12.892
  525    H    ALA  74           H        ALA  74  -3.845   6.861 -12.406
  526    HA   ALA  74           HA       ALA  74  -4.307   8.738 -14.511
  527   1HB   ALA  74          1HB       ALA  74  -3.694   6.819 -15.890
  528   2HB   ALA  74          2HB       ALA  74  -5.416   7.164 -16.054
  529   3HB   ALA  74          3HB       ALA  74  -4.878   5.818 -15.051
  530    HA   PRO  75           HA       PRO  75  -7.418   7.982 -11.242
  531   1HB   PRO  75          2HB       PRO  75  -7.625  10.494 -10.302
  532   2HB   PRO  75          1HB       PRO  75  -6.248   9.462  -9.899
  533   1HG   PRO  75          2HG       PRO  75  -6.437  11.673 -11.898
  534   2HG   PRO  75          1HG       PRO  75  -5.109  11.262 -10.799
  535   1HD   PRO  75          2HD       PRO  75  -5.216  10.571 -13.476
  536   2HD   PRO  75          1HD       PRO  75  -4.227   9.746 -12.254
  537    H    ALA  76           H        ALA  76  -8.393   7.916 -13.731
  538    HA   ALA  76           HA       ALA  76 -10.024   8.507 -15.201
  539   1HB   ALA  76          1HB       ALA  76 -11.417   7.885 -13.269
  540   2HB   ALA  76          2HB       ALA  76 -12.166   9.143 -14.250
  541   3HB   ALA  76          3HB       ALA  76 -11.389   9.562 -12.723
  542    HA   PRO  77           HA       PRO  77  -8.627  12.898 -15.229
  543   1HB   PRO  77          2HB       PRO  77  -6.659  12.605 -17.099
  544   2HB   PRO  77          1HB       PRO  77  -6.416  12.306 -15.375
  545   1HG   PRO  77          2HG       PRO  77  -6.443  10.403 -17.561
  546   2HG   PRO  77          1HG       PRO  77  -5.995  10.149 -15.866
  547   1HD   PRO  77          2HD       PRO  77  -8.537   9.577 -17.236
  548   2HD   PRO  77          1HD       PRO  77  -7.927   8.961 -15.684
  549    H    LYS  78           H        LYS  78  -9.076  14.531 -16.765
  550    HA   LYS  78           HA       LYS  78 -10.619  13.519 -19.056
  551   1HB   LYS  78          2HB       LYS  78 -11.465  15.525 -16.965
  552   2HB   LYS  78          1HB       LYS  78 -12.355  15.223 -18.457
  553   1HG   LYS  78          2HG       LYS  78 -13.087  13.182 -17.783
  554   2HG   LYS  78          1HG       LYS  78 -11.656  12.869 -16.810
  555   1HD   LYS  78          2HD       LYS  78 -13.790  14.840 -16.030
  556   2HD   LYS  78          1HD       LYS  78 -13.807  13.143 -15.554
  557   1HE   LYS  78          2HE       LYS  78 -12.854  14.234 -13.721
  558   2HE   LYS  78          1HE       LYS  78 -11.477  13.570 -14.593
  559   1HZ   LYS  78          1HZ       LYS  78 -12.403  16.372 -14.916
  560   2HZ   LYS  78          2HZ       LYS  78 -10.932  15.696 -15.435
  561   3HZ   LYS  78          3HZ       LYS  78 -11.230  15.905 -13.784
  562    H    GLU  79           H        GLU  79  -9.471  16.570 -17.617
  563    HA   GLU  79           HA       GLU  79  -8.002  17.156 -20.022
  564   1HB   GLU  79          2HB       GLU  79  -9.079  19.354 -20.404
  565   2HB   GLU  79          1HB       GLU  79 -10.173  18.009 -20.700
  566   1HG   GLU  79          2HG       GLU  79 -11.073  18.388 -18.375
  567   2HG   GLU  79          1HG       GLU  79 -10.141  19.885 -18.353
  568    H    ASP  80           H        ASP  80  -7.597  16.592 -17.282
  569    HA   ASP  80           HA       ASP  80  -6.334  19.045 -16.328
  570   1HB   ASP  80          2HB       ASP  80  -7.097  18.415 -14.012
  571   2HB   ASP  80          1HB       ASP  80  -8.391  18.914 -15.091
  Start of MODEL   20
    1   1H    ALA   1          1HT       ALA   1  -9.914 -19.170   1.901
    2   2H    ALA   1          2HT       ALA   1  -8.246 -19.476   1.927
    3   3H    ALA   1          3HT       ALA   1  -8.977 -18.903   0.514
    4    HA   ALA   1           HA       ALA   1  -9.568 -16.839   1.689
    5   1HB   ALA   1          1HB       ALA   1  -9.511 -17.768   3.952
    6   2HB   ALA   1          2HB       ALA   1  -8.446 -16.370   3.807
    7   3HB   ALA   1          3HB       ALA   1  -7.767 -17.997   3.818
    8    H    GLN   2           H        GLN   2  -8.532 -16.131  -0.165
    9    HA   GLN   2           HA       GLN   2  -5.849 -16.754  -0.718
   10   1HB   GLN   2          2HB       GLN   2  -7.402 -16.365  -2.527
   11   2HB   GLN   2          1HB       GLN   2  -7.618 -14.705  -1.992
   12   1HG   GLN   2          2HG       GLN   2  -6.168 -14.560  -3.809
   13   2HG   GLN   2          1HG       GLN   2  -5.126 -14.412  -2.398
   14   1HE2  GLN   2          1HE2      GLN   2  -5.287 -17.326  -1.847
   15   2HE2  GLN   2          2HE2      GLN   2  -4.271 -18.069  -3.031
   16    H    VAL   3           H        VAL   3  -7.385 -13.754   0.057
   17    HA   VAL   3           HA       VAL   3  -4.765 -12.653   0.807
   18    HB   VAL   3           HB       VAL   3  -5.707 -10.398   0.272
   19   1HG1  VAL   3          1HG1      VAL   3  -4.219 -11.558  -1.275
   20   2HG1  VAL   3          2HG1      VAL   3  -5.432 -10.622  -2.149
   21   3HG1  VAL   3          3HG1      VAL   3  -5.602 -12.371  -2.007
   22   1HG2  VAL   3          1HG2      VAL   3  -7.920 -12.014  -0.993
   23   2HG2  VAL   3          2HG2      VAL   3  -7.671 -10.281  -1.200
   24   3HG2  VAL   3          3HG2      VAL   3  -8.080 -10.930   0.389
   25    H    ASN   4           H        ASN   4  -4.496 -11.858   2.756
   26    HA   ASN   4           HA       ASN   4  -6.834 -11.150   4.356
   27   1HB   ASN   4          2HB       ASN   4  -4.521 -12.884   5.236
   28   2HB   ASN   4          1HB       ASN   4  -5.557 -12.036   6.379
   29   1HD2  ASN   4          1HD2      ASN   4  -5.292 -14.652   4.147
   30   2HD2  ASN   4          2HD2      ASN   4  -6.791 -15.418   4.554
   31    H    ILE   5           H        ILE   5  -6.574  -9.015   4.308
   32    HA   ILE   5           HA       ILE   5  -3.863  -7.946   4.779
   33    HB   ILE   5           HB       ILE   5  -5.941  -6.792   2.909
   34   1HG1  ILE   5          2HG1      ILE   5  -3.312  -8.184   2.347
   35   2HG1  ILE   5          1HG1      ILE   5  -4.909  -8.854   2.048
   36   1HG2  ILE   5          1HG2      ILE   5  -3.117  -5.915   3.513
   37   2HG2  ILE   5          2HG2      ILE   5  -4.596  -5.054   3.941
   38   3HG2  ILE   5          3HG2      ILE   5  -4.145  -5.242   2.247
   39   1HD1  ILE   5          1HD1      ILE   5  -5.331  -7.144   0.383
   40   2HD1  ILE   5          2HD1      ILE   5  -3.859  -8.042   0.008
   41   3HD1  ILE   5          3HD1      ILE   5  -3.753  -6.425   0.705
   42    H    ALA   6           H        ALA   6  -3.648  -6.401   6.262
   43    HA   ALA   6           HA       ALA   6  -5.868  -5.726   7.957
   44   1HB   ALA   6          1HB       ALA   6  -3.607  -6.143   8.855
   45   2HB   ALA   6          2HB       ALA   6  -4.199  -4.535   9.273
   46   3HB   ALA   6          3HB       ALA   6  -3.015  -4.733   7.980
   47    HA   PRO   7           HA       PRO   7  -6.945  -1.866   6.044
   48   1HB   PRO   7          2HB       PRO   7  -7.309  -0.605   8.660
   49   2HB   PRO   7          1HB       PRO   7  -8.519  -1.040   7.452
   50   1HG   PRO   7          2HG       PRO   7  -8.297  -2.336   9.807
   51   2HG   PRO   7          1HG       PRO   7  -8.819  -3.147   8.318
   52   1HD   PRO   7          2HD       PRO   7  -6.130  -3.162   9.644
   53   2HD   PRO   7          1HD       PRO   7  -7.027  -4.504   8.898
   54    H    GLY   8           H        GLY   8  -4.234  -2.024   6.023
   55   1HA   GLY   8          2HA       GLY   8  -3.389   0.640   7.006
   56   2HA   GLY   8          1HA       GLY   8  -2.333  -0.762   7.028
   57    H    SER   9           H        SER   9  -0.867   0.592   5.889
   58    HA   SER   9           HA       SER   9  -1.164   1.953   3.551
   59   1HB   SER   9          2HB       SER   9   1.213   0.231   4.279
   60   2HB   SER   9          1HB       SER   9   1.221   1.636   3.213
   61    HG   SER   9           HG       SER   9   1.597   2.737   4.949
   62    H    LEU  10           H        LEU  10  -1.624   1.513   1.514
   63    HA   LEU  10           HA       LEU  10  -2.397  -1.043   0.633
   64   1HB   LEU  10          2HB       LEU  10  -3.301   1.011  -0.314
   65   2HB   LEU  10          1HB       LEU  10  -1.717   1.465  -0.906
   66    HG   LEU  10           HG       LEU  10  -1.759  -0.492  -2.430
   67   1HD1  LEU  10          1HD1      LEU  10  -3.857  -1.676  -2.800
   68   2HD1  LEU  10          2HD1      LEU  10  -4.604  -0.783  -1.475
   69   3HD1  LEU  10          3HD1      LEU  10  -3.283  -1.906  -1.148
   70   1HD2  LEU  10          1HD2      LEU  10  -2.441   1.720  -3.202
   71   2HD2  LEU  10          2HD2      LEU  10  -4.098   1.394  -2.695
   72   3HD2  LEU  10          3HD2      LEU  10  -3.375   0.452  -4.000
   73    H    ASP  11           H        ASP  11   0.607   0.720   0.461
   74    HA   ASP  11           HA       ASP  11   2.039  -0.668  -1.416
   75   1HB   ASP  11          2HB       ASP  11   2.867   1.279  -0.105
   76   2HB   ASP  11          1HB       ASP  11   3.091   0.212   1.279
   77    H    LYS  12           H        LYS  12   1.696  -1.560   2.036
   78    HA   LYS  12           HA       LYS  12   3.182  -3.965   1.748
   79   1HB   LYS  12          2HB       LYS  12   2.890  -2.706   3.895
   80   2HB   LYS  12          1HB       LYS  12   1.220  -3.251   3.932
   81   1HG   LYS  12          2HG       LYS  12   2.622  -4.620   5.371
   82   2HG   LYS  12          1HG       LYS  12   1.966  -5.569   4.035
   83   1HD   LYS  12          2HD       LYS  12   4.098  -5.311   2.828
   84   2HD   LYS  12          1HD       LYS  12   4.747  -4.400   4.192
   85   1HE   LYS  12          2HE       LYS  12   3.746  -7.239   4.358
   86   2HE   LYS  12          1HE       LYS  12   5.436  -6.789   4.149
   87   1HZ   LYS  12          1HZ       LYS  12   4.850  -7.267   6.470
   88   2HZ   LYS  12          2HZ       LYS  12   3.750  -5.975   6.459
   89   3HZ   LYS  12          3HZ       LYS  12   5.408  -5.679   6.263
   90    H    ALA  13           H        ALA  13  -0.116  -3.075   1.205
   91    HA   ALA  13           HA       ALA  13  -1.315  -5.635   1.463
   92   1HB   ALA  13          1HB       ALA  13  -2.180  -3.269  -0.203
   93   2HB   ALA  13          2HB       ALA  13  -2.642  -3.577   1.472
   94   3HB   ALA  13          3HB       ALA  13  -3.173  -4.672   0.194
   95    H    LEU  14           H        LEU  14  -0.353  -3.764  -1.425
   96    HA   LEU  14           HA       LEU  14  -0.520  -5.850  -3.272
   97   1HB   LEU  14          2HB       LEU  14   1.335  -3.467  -3.221
   98   2HB   LEU  14          1HB       LEU  14   1.081  -4.499  -4.615
   99    HG   LEU  14           HG       LEU  14  -1.069  -2.834  -3.299
  100   1HD1  LEU  14          1HD1      LEU  14  -0.888  -1.407  -5.277
  101   2HD1  LEU  14          2HD1      LEU  14   0.479  -2.367  -5.845
  102   3HD1  LEU  14          3HD1      LEU  14   0.617  -1.429  -4.358
  103   1HD2  LEU  14          1HD2      LEU  14  -2.363  -3.382  -5.302
  104   2HD2  LEU  14          2HD2      LEU  14  -1.923  -4.832  -4.400
  105   3HD2  LEU  14          3HD2      LEU  14  -1.046  -4.411  -5.869
  106    H    ASN  15           H        ASN  15   2.012  -4.929  -1.038
  107    HA   ASN  15           HA       ASN  15   4.140  -6.445  -2.025
  108   1HB   ASN  15          2HB       ASN  15   4.332  -4.712  -0.259
  109   2HB   ASN  15          1HB       ASN  15   3.510  -5.787   0.864
  110   1HD2  ASN  15          1HD2      ASN  15   6.471  -4.945  -0.609
  111   2HD2  ASN  15          2HD2      ASN  15   7.449  -6.150   0.160
  112    H    GLN  16           H        GLN  16   1.629  -7.306   0.355
  113    HA   GLN  16           HA       GLN  16   2.709  -9.861   0.892
  114   1HB   GLN  16          2HB       GLN  16   0.702 -10.365   2.092
  115   2HB   GLN  16          1HB       GLN  16   1.153  -8.709   2.436
  116   1HG   GLN  16          2HG       GLN  16  -1.011  -8.299   2.107
  117   2HG   GLN  16          1HG       GLN  16  -0.584  -8.349   0.398
  118   1HE2  GLN  16          1HE2      GLN  16  -1.261 -10.065  -0.848
  119   2HE2  GLN  16          2HE2      GLN  16  -2.379 -11.259  -0.288
  120    H    TYR  17           H        TYR  17   0.499  -8.718  -1.605
  121    HA   TYR  17           HA       TYR  17  -0.310 -11.341  -2.415
  122   1HB   TYR  17          2HB       TYR  17  -1.490  -9.080  -2.906
  123   2HB   TYR  17          1HB       TYR  17  -0.323  -8.921  -4.212
  124    HD1  TYR  17           1HD      TYR  17  -0.192 -10.980  -5.851
  125    HD2  TYR  17           2HD      TYR  17  -3.516 -10.151  -3.325
  126    HE1  TYR  17           1HE      TYR  17  -1.629 -12.351  -7.300
  127    HE2  TYR  17           2HE      TYR  17  -4.958 -11.519  -4.766
  128    HH   TYR  17           HH       TYR  17  -5.048 -12.361  -7.017
  129    H    ALA  18           H        ALA  18   2.114  -8.981  -3.482
  130    HA   ALA  18           HA       ALA  18   3.196 -10.300  -5.640
  131   1HB   ALA  18          1HB       ALA  18   3.830  -8.041  -4.978
  132   2HB   ALA  18          2HB       ALA  18   5.250  -9.061  -5.206
  133   3HB   ALA  18          3HB       ALA  18   4.687  -8.685  -3.577
  134    H    ALA  19           H        ALA  19   4.052 -10.702  -2.225
  135    HA   ALA  19           HA       ALA  19   6.113 -12.569  -2.610
  136   1HB   ALA  19          1HB       ALA  19   5.807 -11.332  -0.532
  137   2HB   ALA  19          2HB       ALA  19   5.857 -13.071  -0.240
  138   3HB   ALA  19          3HB       ALA  19   4.315 -12.216  -0.220
  139    H    HIS  20           H        HIS  20   2.687 -12.926  -2.782
  140    HA   HIS  20           HA       HIS  20   2.482 -15.651  -2.071
  141   1HB   HIS  20          2HB       HIS  20   0.539 -14.141  -2.132
  142   2HB   HIS  20          1HB       HIS  20   0.679 -14.032  -3.882
  143    HD1  HIS  20           1HD      HIS  20   0.354 -16.881  -1.360
  144    HD2  HIS  20           2HD      HIS  20  -1.079 -15.708  -5.088
  145    HE1  HIS  20           1HE      HIS  20  -1.320 -18.634  -2.031
  146    HE2  HIS  20           2HE      HIS  20  -2.204 -17.897  -4.272
  147    H    SER  21           H        SER  21   2.698 -14.091  -5.304
  148    HA   SER  21           HA       SER  21   3.019 -16.762  -6.456
  149   1HB   SER  21          2HB       SER  21   1.258 -15.305  -7.407
  150   2HB   SER  21          1HB       SER  21   2.490 -14.122  -7.840
  151    HG   SER  21           HG       SER  21   2.109 -16.733  -8.877
  152    H    GLY  22           H        GLY  22   4.819 -14.027  -5.599
  153   1HA   GLY  22          2HA       GLY  22   7.078 -13.602  -5.792
  154   2HA   GLY  22          1HA       GLY  22   7.243 -15.128  -6.645
  155    H    PHE  23           H        PHE  23   5.428 -12.151  -7.402
  156    HA   PHE  23           HA       PHE  23   6.775 -12.153 -10.018
  157   1HB   PHE  23          2HB       PHE  23   4.830 -10.739 -10.764
  158   2HB   PHE  23          1HB       PHE  23   4.408 -12.388 -10.332
  159    HD1  PHE  23           1HD      PHE  23   2.863 -12.850  -8.647
  160    HD2  PHE  23           2HD      PHE  23   4.325  -8.888  -9.155
  161    HE1  PHE  23           1HE      PHE  23   1.137 -12.020  -7.106
  162    HE2  PHE  23           2HE      PHE  23   2.603  -8.050  -7.614
  163    HZ   PHE  23           HZ       PHE  23   1.011  -9.622  -6.587
  164    H    THR  24           H        THR  24   7.061  -9.928 -10.971
  165    HA   THR  24           HA       THR  24   8.289  -8.248  -8.943
  166    HB   THR  24           HB       THR  24   8.354  -7.956 -11.954
  167    HG1  THR  24           1HG      THR  24   9.580  -9.691 -11.749
  168   1HG2  THR  24          1HG2      THR  24  10.086  -6.744  -9.794
  169   2HG2  THR  24          2HG2      THR  24   8.874  -5.886 -10.746
  170   3HG2  THR  24          3HG2      THR  24  10.310  -6.544 -11.531
  171    H    LEU  25           H        LEU  25   6.980  -6.861  -7.972
  172    HA   LEU  25           HA       LEU  25   4.871  -5.501  -9.454
  173   1HB   LEU  25          2HB       LEU  25   4.862  -6.482  -6.992
  174   2HB   LEU  25          1HB       LEU  25   5.485  -4.887  -6.616
  175    HG   LEU  25           HG       LEU  25   2.939  -5.325  -8.161
  176   1HD1  LEU  25          1HD1      LEU  25   1.776  -4.905  -6.075
  177   2HD1  LEU  25          2HD1      LEU  25   3.316  -4.867  -5.219
  178   3HD1  LEU  25          3HD1      LEU  25   2.765  -6.362  -5.977
  179   1HD2  LEU  25          1HD2      LEU  25   3.937  -3.126  -8.447
  180   2HD2  LEU  25          2HD2      LEU  25   4.059  -2.938  -6.698
  181   3HD2  LEU  25          3HD2      LEU  25   2.474  -3.016  -7.465
  182    H    SER  26           H        SER  26   5.178  -3.533 -10.304
  183    HA   SER  26           HA       SER  26   7.708  -2.180  -9.688
  184   1HB   SER  26          2HB       SER  26   7.304  -2.839 -12.051
  185   2HB   SER  26          1HB       SER  26   5.883  -1.797 -12.074
  186    HG   SER  26           HG       SER  26   7.214  -0.283 -12.633
  187    H    VAL  27           H        VAL  27   7.281  -0.895  -7.969
  188    HA   VAL  27           HA       VAL  27   5.537   1.381  -8.430
  189    HB   VAL  27           HB       VAL  27   4.047  -0.208  -7.315
  190   1HG1  VAL  27          1HG1      VAL  27   4.478  -0.960  -5.023
  191   2HG1  VAL  27          2HG1      VAL  27   6.079  -0.221  -5.091
  192   3HG1  VAL  27          3HG1      VAL  27   5.686  -1.569  -6.157
  193   1HG2  VAL  27          1HG2      VAL  27   3.360   1.180  -5.414
  194   2HG2  VAL  27          2HG2      VAL  27   3.745   2.152  -6.835
  195   3HG2  VAL  27          3HG2      VAL  27   4.894   2.046  -5.502
  196    H    ASP  28           H        ASP  28   6.261   3.227  -7.444
  197    HA   ASP  28           HA       ASP  28   8.766   3.092  -5.961
  198   1HB   ASP  28          2HB       ASP  28   7.198   5.336  -7.209
  199   2HB   ASP  28          1HB       ASP  28   8.466   5.674  -6.039
  200    H    ALA  29           H        ALA  29   8.992   3.556  -3.843
  201    HA   ALA  29           HA       ALA  29   6.814   3.444  -2.070
  202   1HB   ALA  29          1HB       ALA  29   9.079   2.777  -1.455
  203   2HB   ALA  29          2HB       ALA  29   8.433   3.973  -0.329
  204   3HB   ALA  29          3HB       ALA  29   9.605   4.457  -1.554
  205    H    SER  30           H        SER  30   5.441   5.117  -3.038
  206    HA   SER  30           HA       SER  30   5.536   7.543  -1.539
  207   1HB   SER  30          2HB       SER  30   5.584   9.038  -3.589
  208   2HB   SER  30          1HB       SER  30   7.122   8.275  -3.183
  209    HG   SER  30           HG       SER  30   6.385   8.206  -5.474
  210    H    LEU  31           H        LEU  31   4.250   6.154  -4.555
  211    HA   LEU  31           HA       LEU  31   1.707   7.374  -4.356
  212   1HB   LEU  31          2HB       LEU  31   2.511   4.842  -5.796
  213   2HB   LEU  31          1HB       LEU  31   1.018   5.724  -6.053
  214    HG   LEU  31           HG       LEU  31   3.774   6.828  -6.600
  215   1HD1  LEU  31          1HD1      LEU  31   3.235   6.530  -8.952
  216   2HD1  LEU  31          2HD1      LEU  31   1.694   5.789  -8.520
  217   3HD1  LEU  31          3HD1      LEU  31   3.206   4.981  -8.108
  218   1HD2  LEU  31          1HD2      LEU  31   2.109   8.533  -6.047
  219   2HD2  LEU  31          2HD2      LEU  31   1.036   7.890  -7.290
  220   3HD2  LEU  31          3HD2      LEU  31   2.581   8.612  -7.744
  221    H    THR  32           H        THR  32   2.880   4.164  -3.443
  222    HA   THR  32           HA       THR  32   0.331   3.482  -2.219
  223    HB   THR  32           HB       THR  32   1.702   1.343  -1.676
  224    HG1  THR  32           1HG      THR  32   3.712   1.332  -2.378
  225   1HG2  THR  32          1HG2      THR  32   1.107   2.130  -4.535
  226   2HG2  THR  32          2HG2      THR  32  -0.035   1.423  -3.390
  227   3HG2  THR  32          3HG2      THR  32   1.342   0.478  -3.958
  228    H    ARG  33           H        ARG  33   3.022   5.163  -1.328
  229    HA   ARG  33           HA       ARG  33   3.381   4.103   1.335
  230   1HB   ARG  33          2HB       ARG  33   5.282   5.017   0.058
  231   2HB   ARG  33          1HB       ARG  33   4.505   6.593   0.035
  232   1HG   ARG  33          2HG       ARG  33   4.544   6.270   2.647
  233   2HG   ARG  33          1HG       ARG  33   5.883   5.189   2.254
  234   1HD   ARG  33          2HD       ARG  33   6.746   7.405   2.679
  235   2HD   ARG  33          1HD       ARG  33   6.932   7.022   0.965
  236    HE   ARG  33           HE       ARG  33   4.594   8.563   1.860
  237   1HH1  ARG  33          1HH1      ARG  33   7.619   8.436   0.096
  238   2HH1  ARG  33          2HH1      ARG  33   7.313   9.902  -0.782
  239   1HH2  ARG  33          1HH2      ARG  33   4.176  10.462   0.674
  240   2HH2  ARG  33          2HH2      ARG  33   5.356  11.042  -0.468
  241    H    GLY  34           H        GLY  34   2.355   4.767   3.106
  242   1HA   GLY  34          2HA       GLY  34   1.299   6.212   4.591
  243   2HA   GLY  34          1HA       GLY  34   1.394   7.481   3.378
  244    H    LYS  35           H        LYS  35   0.138   5.837   1.330
  245    HA   LYS  35           HA       LYS  35  -2.593   6.401   1.891
  246   1HB   LYS  35          2HB       LYS  35  -1.494   6.456  -0.390
  247   2HB   LYS  35          1HB       LYS  35  -1.461   4.700  -0.346
  248   1HG   LYS  35          2HG       LYS  35  -4.013   6.248  -0.063
  249   2HG   LYS  35          1HG       LYS  35  -3.347   5.809  -1.636
  250   1HD   LYS  35          2HD       LYS  35  -3.489   3.472  -1.098
  251   2HD   LYS  35          1HD       LYS  35  -3.974   3.846   0.562
  252   1HE   LYS  35          2HE       LYS  35  -5.947   5.084  -0.483
  253   2HE   LYS  35          1HE       LYS  35  -5.524   4.244  -1.976
  254   1HZ   LYS  35          1HZ       LYS  35  -6.250   2.977   0.608
  255   2HZ   LYS  35          2HZ       LYS  35  -5.781   2.136  -0.783
  256   3HZ   LYS  35          3HZ       LYS  35  -7.213   3.032  -0.784
  257    H    GLN  36           H        GLN  36  -3.908   5.157   3.107
  258    HA   GLN  36           HA       GLN  36  -3.145   2.363   3.532
  259   1HB   GLN  36          2HB       GLN  36  -4.986   4.173   5.096
  260   2HB   GLN  36          1HB       GLN  36  -4.638   2.500   5.499
  261   1HG   GLN  36          2HG       GLN  36  -2.301   3.052   5.864
  262   2HG   GLN  36          1HG       GLN  36  -2.618   4.729   5.417
  263   1HE2  GLN  36          1HE2      GLN  36  -1.599   3.603   7.916
  264   2HE2  GLN  36          2HE2      GLN  36  -2.682   4.136   9.152
  265    H    SER  37           H        SER  37  -4.668   0.705   3.362
  266    HA   SER  37           HA       SER  37  -7.166   1.365   2.009
  267   1HB   SER  37          2HB       SER  37  -4.949  -0.451   1.366
  268   2HB   SER  37          1HB       SER  37  -6.514  -1.239   1.378
  269    HG   SER  37           HG       SER  37  -6.630  -0.436  -0.589
  270    H    ASN  38           H        ASN  38  -8.940   0.480   3.017
  271    HA   ASN  38           HA       ASN  38  -8.703  -0.421   5.657
  272   1HB   ASN  38          2HB       ASN  38 -10.982  -0.378   3.724
  273   2HB   ASN  38          1HB       ASN  38 -11.173  -1.133   5.303
  274   1HD2  ASN  38          1HD2      ASN  38  -9.053   1.603   4.808
  275   2HD2  ASN  38          2HD2      ASN  38 -10.028   2.761   5.655
  276    H    GLY  39           H        GLY  39  -8.055  -2.209   2.956
  277   1HA   GLY  39          2HA       GLY  39  -6.890  -4.284   3.334
  278   2HA   GLY  39          1HA       GLY  39  -7.984  -4.599   4.673
  279    H    LEU  40           H        LEU  40  -8.087  -6.752   3.470
  280    HA   LEU  40           HA       LEU  40 -10.446  -6.858   1.951
  281   1HB   LEU  40          2HB       LEU  40  -8.855  -6.189   0.159
  282   2HB   LEU  40          1HB       LEU  40  -7.854  -7.572   0.552
  283    HG   LEU  40           HG       LEU  40  -9.650  -9.087  -0.140
  284   1HD1  LEU  40          1HD1      LEU  40 -11.138  -6.558  -0.836
  285   2HD1  LEU  40          2HD1      LEU  40 -11.568  -7.717   0.421
  286   3HD1  LEU  40          3HD1      LEU  40 -11.637  -8.192  -1.277
  287   1HD2  LEU  40          1HD2      LEU  40  -9.596  -8.594  -2.545
  288   2HD2  LEU  40          2HD2      LEU  40  -8.010  -8.408  -1.794
  289   3HD2  LEU  40          3HD2      LEU  40  -8.971  -6.982  -2.190
  290    H    HIS  41           H        HIS  41 -11.322  -8.877   2.362
  291    HA   HIS  41           HA       HIS  41  -9.456 -11.002   3.197
  292   1HB   HIS  41          2HB       HIS  41 -11.957 -10.150   4.673
  293   2HB   HIS  41          1HB       HIS  41 -11.104 -11.657   4.979
  294    HD1  HIS  41           1HD      HIS  41 -11.175  -8.138   5.930
  295    HD2  HIS  41           2HD      HIS  41  -8.409 -11.246   5.997
  296    HE1  HIS  41           1HE      HIS  41  -9.386  -7.423   7.545
  297    HE2  HIS  41           2HE      HIS  41  -7.876  -9.430   7.758
  298    H    GLY  42           H        GLY  42  -9.714 -12.152   1.356
  299   1HA   GLY  42          2HA       GLY  42 -11.989 -13.866   1.263
  300   2HA   GLY  42          1HA       GLY  42 -12.018 -12.703  -0.055
  301    H    ASP  43           H        ASP  43 -11.931 -15.249  -0.785
  302    HA   ASP  43           HA       ASP  43  -9.145 -15.811  -1.525
  303   1HB   ASP  43          2HB       ASP  43 -10.153 -17.824  -2.659
  304   2HB   ASP  43          1HB       ASP  43 -10.396 -17.770  -0.918
  305    H    TYR  44           H        TYR  44  -8.956 -13.830  -2.712
  306    HA   TYR  44           HA       TYR  44 -10.690 -13.478  -5.028
  307   1HB   TYR  44          2HB       TYR  44  -8.846 -11.697  -3.487
  308   2HB   TYR  44          1HB       TYR  44  -9.294 -11.262  -5.133
  309    HD1  TYR  44           1HD      TYR  44 -10.519 -11.743  -1.701
  310    HD2  TYR  44           2HD      TYR  44 -11.550 -10.559  -5.658
  311    HE1  TYR  44           1HE      TYR  44 -12.621 -10.782  -0.861
  312    HE2  TYR  44           2HE      TYR  44 -13.654  -9.596  -4.827
  313    HH   TYR  44           HH       TYR  44 -15.166  -9.850  -2.914
  314    H    ASP  45           H        ASP  45  -9.955 -13.237  -7.107
  315    HA   ASP  45           HA       ASP  45  -7.406 -14.464  -7.744
  316   1HB   ASP  45          2HB       ASP  45  -9.775 -13.557  -9.355
  317   2HB   ASP  45          1HB       ASP  45  -8.233 -13.841 -10.152
  318    H    VAL  46           H        VAL  46  -6.336 -13.206  -9.773
  319    HA   VAL  46           HA       VAL  46  -4.957 -11.095  -8.626
  320    HB   VAL  46           HB       VAL  46  -5.274 -11.664 -11.576
  321   1HG1  VAL  46          1HG1      VAL  46  -3.130 -10.505 -11.827
  322   2HG1  VAL  46          2HG1      VAL  46  -3.134 -10.119 -10.107
  323   3HG1  VAL  46          3HG1      VAL  46  -4.365  -9.433 -11.168
  324   1HG2  VAL  46          1HG2      VAL  46  -3.197 -12.616  -9.604
  325   2HG2  VAL  46          2HG2      VAL  46  -3.192 -12.928 -11.341
  326   3HG2  VAL  46          3HG2      VAL  46  -4.468 -13.601 -10.326
  327    H    GLU  47           H        GLU  47  -7.047 -10.635 -11.513
  328    HA   GLU  47           HA       GLU  47  -7.087  -7.872 -11.311
  329   1HB   GLU  47          2HB       GLU  47  -9.176  -9.637 -12.593
  330   2HB   GLU  47          1HB       GLU  47  -8.956  -7.920 -12.895
  331   1HG   GLU  47          2HG       GLU  47  -7.811  -8.710 -14.667
  332   2HG   GLU  47          1HG       GLU  47  -6.500  -8.753 -13.491
  333    H    SER  48           H        SER  48  -9.366 -10.208  -9.890
  334    HA   SER  48           HA       SER  48 -11.308  -8.217  -9.242
  335   1HB   SER  48          2HB       SER  48 -12.049 -10.245  -7.686
  336   2HB   SER  48          1HB       SER  48 -12.322 -10.268  -9.428
  337    HG   SER  48           HG       SER  48 -10.832 -11.763  -9.669
  338    H    GLY  49           H        GLY  49  -8.545  -9.640  -7.669
  339   1HA   GLY  49          2HA       GLY  49  -9.202  -8.702  -5.036
  340   2HA   GLY  49          1HA       GLY  49  -7.647  -9.335  -5.567
  341    H    LEU  50           H        LEU  50  -7.336  -7.538  -7.768
  342    HA   LEU  50           HA       LEU  50  -6.066  -5.390  -6.424
  343   1HB   LEU  50          2HB       LEU  50  -6.695  -5.803  -9.348
  344   2HB   LEU  50          1HB       LEU  50  -5.668  -4.524  -8.726
  345    HG   LEU  50           HG       LEU  50  -5.118  -7.487  -8.518
  346   1HD1  LEU  50          1HD1      LEU  50  -3.856  -5.330 -10.202
  347   2HD1  LEU  50          2HD1      LEU  50  -4.843  -6.673 -10.781
  348   3HD1  LEU  50          3HD1      LEU  50  -3.265  -6.985 -10.055
  349   1HD2  LEU  50          1HD2      LEU  50  -4.254  -6.281  -6.593
  350   2HD2  LEU  50          2HD2      LEU  50  -3.477  -5.109  -7.657
  351   3HD2  LEU  50          3HD2      LEU  50  -2.935  -6.786  -7.649
  352    H    GLN  51           H        GLN  51  -9.047  -5.681  -8.305
  353    HA   GLN  51           HA       GLN  51  -9.806  -3.025  -8.411
  354   1HB   GLN  51          2HB       GLN  51 -10.969  -4.902  -9.557
  355   2HB   GLN  51          1HB       GLN  51 -11.649  -5.390  -8.013
  356   1HG   GLN  51          2HG       GLN  51 -13.291  -4.157  -9.246
  357   2HG   GLN  51          1HG       GLN  51 -12.782  -3.206  -7.853
  358   1HE2  GLN  51          1HE2      GLN  51 -10.867  -3.573 -10.771
  359   2HE2  GLN  51          2HE2      GLN  51 -11.029  -1.932 -11.297
  360    H    GLN  52           H        GLN  52 -10.426  -5.387  -5.814
  361    HA   GLN  52           HA       GLN  52 -11.860  -3.572  -4.165
  362   1HB   GLN  52          2HB       GLN  52 -10.381  -6.116  -3.473
  363   2HB   GLN  52          1HB       GLN  52 -11.466  -5.259  -2.388
  364   1HG   GLN  52          2HG       GLN  52 -12.255  -6.451  -5.035
  365   2HG   GLN  52          1HG       GLN  52 -12.521  -7.197  -3.461
  366   1HE2  GLN  52          1HE2      GLN  52 -13.160  -4.668  -2.155
  367   2HE2  GLN  52          2HE2      GLN  52 -14.740  -4.234  -2.698
  368    H    LEU  53           H        LEU  53  -8.456  -4.437  -4.443
  369    HA   LEU  53           HA       LEU  53  -7.491  -3.169  -2.145
  370   1HB   LEU  53          2HB       LEU  53  -6.163  -3.608  -4.815
  371   2HB   LEU  53          1HB       LEU  53  -5.323  -3.020  -3.391
  372    HG   LEU  53           HG       LEU  53  -6.667  -5.706  -3.675
  373   1HD1  LEU  53          1HD1      LEU  53  -4.390  -6.581  -3.512
  374   2HD1  LEU  53          2HD1      LEU  53  -3.761  -4.931  -3.507
  375   3HD1  LEU  53          3HD1      LEU  53  -4.600  -5.552  -4.930
  376   1HD2  LEU  53          1HD2      LEU  53  -5.131  -4.522  -1.368
  377   2HD2  LEU  53          2HD2      LEU  53  -5.697  -6.187  -1.484
  378   3HD2  LEU  53          3HD2      LEU  53  -6.861  -4.865  -1.406
  379    H    LEU  54           H        LEU  54  -8.695  -1.799  -5.061
  380    HA   LEU  54           HA       LEU  54  -7.414   0.751  -4.795
  381   1HB   LEU  54          2HB       LEU  54  -9.431  -0.467  -6.558
  382   2HB   LEU  54          1HB       LEU  54  -9.584   1.263  -6.326
  383    HG   LEU  54           HG       LEU  54  -7.304   1.598  -7.150
  384   1HD1  LEU  54          1HD1      LEU  54  -7.261  -1.389  -7.551
  385   2HD1  LEU  54          2HD1      LEU  54  -6.305  -0.485  -6.376
  386   3HD1  LEU  54          3HD1      LEU  54  -6.031  -0.252  -8.102
  387   1HD2  LEU  54          1HD2      LEU  54  -7.668   0.940  -9.483
  388   2HD2  LEU  54          2HD2      LEU  54  -9.132   1.612  -8.761
  389   3HD2  LEU  54          3HD2      LEU  54  -8.971  -0.132  -8.974
  390    H    ASP  55           H        ASP  55  -9.210  -0.534  -2.640
  391    HA   ASP  55           HA       ASP  55 -11.406   1.068  -2.098
  392   1HB   ASP  55          2HB       ASP  55 -10.994  -0.933  -0.841
  393   2HB   ASP  55          1HB       ASP  55  -9.459  -0.308  -0.245
  394    H    GLY  56           H        GLY  56 -11.441   3.216  -2.030
  395   1HA   GLY  56          2HA       GLY  56 -10.956   5.371  -1.395
  396   2HA   GLY  56          1HA       GLY  56 -10.001   4.687  -0.087
  397    H    SER  57           H        SER  57  -9.245   3.825  -3.352
  398    HA   SER  57           HA       SER  57  -6.739   5.321  -3.114
  399   1HB   SER  57          2HB       SER  57  -7.512   3.109  -5.031
  400   2HB   SER  57          1HB       SER  57  -5.921   3.855  -4.912
  401    HG   SER  57           HG       SER  57  -6.196   1.829  -3.768
  402    H    GLY  58           H        GLY  58  -6.049   6.755  -4.700
  403   1HA   GLY  58          2HA       GLY  58  -7.959   7.292  -6.880
  404   2HA   GLY  58          1HA       GLY  58  -6.809   8.466  -6.234
  405    H    LEU  59           H        LEU  59  -5.982   5.140  -6.676
  406    HA   LEU  59           HA       LEU  59  -4.270   5.867  -8.962
  407   1HB   LEU  59          2HB       LEU  59  -3.655   3.844  -6.803
  408   2HB   LEU  59          1HB       LEU  59  -2.603   4.311  -8.123
  409    HG   LEU  59           HG       LEU  59  -3.467   6.136  -5.878
  410   1HD1  LEU  59          1HD1      LEU  59  -0.857   4.709  -6.353
  411   2HD1  LEU  59          2HD1      LEU  59  -2.013   4.370  -5.065
  412   3HD1  LEU  59          3HD1      LEU  59  -1.156   5.912  -5.098
  413   1HD2  LEU  59          1HD2      LEU  59  -1.449   6.509  -8.088
  414   2HD2  LEU  59          2HD2      LEU  59  -1.725   7.623  -6.748
  415   3HD2  LEU  59          3HD2      LEU  59  -2.998   7.339  -7.937
  416    H    GLN  60           H        GLN  60  -3.469   3.520  -9.902
  417    HA   GLN  60           HA       GLN  60  -5.575   1.593  -9.882
  418   1HB   GLN  60          2HB       GLN  60  -6.496   3.094 -11.560
  419   2HB   GLN  60          1HB       GLN  60  -4.974   3.080 -12.445
  420   1HG   GLN  60          2HG       GLN  60  -5.249   0.822 -13.074
  421   2HG   GLN  60          1HG       GLN  60  -6.562   0.585 -11.923
  422   1HE2  GLN  60          1HE2      GLN  60  -5.644   1.959 -14.977
  423   2HE2  GLN  60          2HE2      GLN  60  -7.246   2.191 -15.582
  424    H    VAL  61           H        VAL  61  -4.603  -0.294  -9.868
  425    HA   VAL  61           HA       VAL  61  -1.836  -0.464 -10.792
  426    HB   VAL  61           HB       VAL  61  -2.282  -1.294  -8.537
  427   1HG1  VAL  61          1HG1      VAL  61  -4.122  -3.286  -9.851
  428   2HG1  VAL  61          2HG1      VAL  61  -4.605  -1.955  -8.799
  429   3HG1  VAL  61          3HG1      VAL  61  -3.646  -3.287  -8.153
  430   1HG2  VAL  61          1HG2      VAL  61  -1.623  -3.515 -10.471
  431   2HG2  VAL  61          2HG2      VAL  61  -1.271  -3.524  -8.743
  432   3HG2  VAL  61          3HG2      VAL  61  -0.488  -2.347  -9.796
  433    H    LYS  62           H        LYS  62  -1.197  -1.754 -12.494
  434    HA   LYS  62           HA       LYS  62  -3.312  -3.290 -13.847
  435   1HB   LYS  62          2HB       LYS  62  -1.237  -1.634 -15.290
  436   2HB   LYS  62          1HB       LYS  62  -2.556  -2.540 -16.012
  437   1HG   LYS  62          2HG       LYS  62  -3.931  -0.880 -14.390
  438   2HG   LYS  62          1HG       LYS  62  -2.537   0.127 -14.785
  439   1HD   LYS  62          2HD       LYS  62  -4.495  -1.150 -16.683
  440   2HD   LYS  62          1HD       LYS  62  -4.224   0.570 -16.410
  441   1HE   LYS  62          2HE       LYS  62  -2.149  -1.305 -17.533
  442   2HE   LYS  62          1HE       LYS  62  -3.240  -0.345 -18.528
  443   1HZ   LYS  62          1HZ       LYS  62  -1.126   0.755 -18.310
  444   2HZ   LYS  62          2HZ       LYS  62  -1.213   0.705 -16.621
  445   3HZ   LYS  62          3HZ       LYS  62  -2.304   1.662 -17.493
  446    HA   PRO  63           HA       PRO  63  -0.148  -6.489 -13.980
  447   1HB   PRO  63          2HB       PRO  63  -1.891  -7.547 -16.127
  448   2HB   PRO  63          1HB       PRO  63  -1.342  -8.331 -14.643
  449   1HG   PRO  63          2HG       PRO  63  -3.879  -7.523 -14.929
  450   2HG   PRO  63          1HG       PRO  63  -3.040  -7.413 -13.369
  451   1HD   PRO  63          2HD       PRO  63  -3.613  -5.264 -15.373
  452   2HD   PRO  63          1HD       PRO  63  -3.689  -5.201 -13.598
  453    H    LEU  64           H        LEU  64   1.662  -6.209 -15.057
  454    HA   LEU  64           HA       LEU  64   1.896  -4.402 -17.199
  455   1HB   LEU  64          2HB       LEU  64   3.660  -4.876 -15.529
  456   2HB   LEU  64          1HB       LEU  64   3.886  -6.461 -16.243
  457    HG   LEU  64           HG       LEU  64   4.597  -5.388 -18.356
  458   1HD1  LEU  64          1HD1      LEU  64   4.397  -2.835 -16.766
  459   2HD1  LEU  64          2HD1      LEU  64   3.379  -3.290 -18.133
  460   3HD1  LEU  64          3HD1      LEU  64   5.101  -2.996 -18.374
  461   1HD2  LEU  64          1HD2      LEU  64   6.771  -4.656 -17.577
  462   2HD2  LEU  64          2HD2      LEU  64   6.241  -6.064 -16.659
  463   3HD2  LEU  64          3HD2      LEU  64   6.144  -4.457 -15.941
  464    H    GLY  65           H        GLY  65   1.945  -7.961 -17.102
  465   1HA   GLY  65          2HA       GLY  65   0.684  -8.807 -19.163
  466   2HA   GLY  65          1HA       GLY  65   1.954  -7.968 -20.043
  467    H    ASN  66           H        ASN  66   3.830  -8.725 -17.798
  468    HA   ASN  66           HA       ASN  66   4.412 -11.432 -18.788
  469   1HB   ASN  66          2HB       ASN  66   6.748 -10.965 -18.150
  470   2HB   ASN  66          1HB       ASN  66   6.138  -9.759 -19.276
  471   1HD2  ASN  66          1HD2      ASN  66   8.366  -9.501 -17.474
  472   2HD2  ASN  66          2HD2      ASN  66   7.990  -8.187 -16.402
  473    H    ASN  67           H        ASN  67   2.492 -11.229 -16.824
  474    HA   ASN  67           HA       ASN  67   1.863 -11.886 -14.741
  475   1HB   ASN  67          2HB       ASN  67   3.016 -13.976 -15.556
  476   2HB   ASN  67          1HB       ASN  67   4.459 -13.443 -14.699
  477   1HD2  ASN  67          1HD2      ASN  67   4.492 -15.150 -13.275
  478   2HD2  ASN  67          2HD2      ASN  67   3.312 -15.366 -12.030
  479    H    SER  68           H        SER  68   3.301  -9.459 -14.954
  480    HA   SER  68           HA       SER  68   4.074  -9.166 -12.157
  481   1HB   SER  68          2HB       SER  68   5.689  -8.135 -14.516
  482   2HB   SER  68          1HB       SER  68   5.956  -7.664 -12.836
  483    HG   SER  68           HG       SER  68   6.319 -10.193 -14.046
  484    H    TRP  69           H        TRP  69   4.432  -6.431 -12.079
  485    HA   TRP  69           HA       TRP  69   1.876  -5.489 -13.143
  486   1HB   TRP  69          2HB       TRP  69   2.552  -5.534 -10.201
  487   2HB   TRP  69          1HB       TRP  69   1.213  -4.643 -10.901
  488    HD1  TRP  69           HD       TRP  69   0.806  -7.598 -12.806
  489    HE1  TRP  69           1HE      TRP  69  -0.696  -9.332 -11.633
  490    HE3  TRP  69           3HE      TRP  69   0.990  -5.720  -8.110
  491    HZ2  TRP  69           2HZ      TRP  69  -1.707  -9.800  -9.027
  492    HZ3  TRP  69           3HZ      TRP  69  -0.256  -6.830  -6.319
  493    HH2  TRP  69           HH       TRP  69  -1.589  -8.839  -6.763
  494    H    THR  70           H        THR  70   1.523  -3.185 -12.660
  495    HA   THR  70           HA       THR  70   3.868  -1.662 -11.847
  496    HB   THR  70           HB       THR  70   4.190  -1.704 -14.228
  497    HG1  THR  70           1HG      THR  70   2.892   0.781 -14.022
  498   1HG2  THR  70          1HG2      THR  70   1.313  -0.828 -14.495
  499   2HG2  THR  70          2HG2      THR  70   1.959  -2.414 -14.912
  500   3HG2  THR  70          3HG2      THR  70   2.468  -0.992 -15.821
  501    H    LEU  71           H        LEU  71   3.344   0.295 -10.874
  502    HA   LEU  71           HA       LEU  71   0.507   0.603 -10.248
  503   1HB   LEU  71          2HB       LEU  71   2.525   0.629  -8.568
  504   2HB   LEU  71          1HB       LEU  71   2.687   2.295  -9.081
  505    HG   LEU  71           HG       LEU  71   1.430   2.084  -6.983
  506   1HD1  LEU  71          1HD1      LEU  71  -0.246   3.042  -9.297
  507   2HD1  LEU  71          2HD1      LEU  71   0.949   3.984  -8.405
  508   3HD1  LEU  71          3HD1      LEU  71  -0.520   3.435  -7.599
  509   1HD2  LEU  71          1HD2      LEU  71  -0.797   1.091  -6.973
  510   2HD2  LEU  71          2HD2      LEU  71   0.443  -0.101  -7.366
  511   3HD2  LEU  71          3HD2      LEU  71  -0.574   0.568  -8.643
  512    H    GLU  72           H        GLU  72  -0.481   1.644 -11.788
  513    HA   GLU  72           HA       GLU  72   0.737   3.863 -13.195
  514   1HB   GLU  72          2HB       GLU  72  -2.084   2.832 -13.492
  515   2HB   GLU  72          1HB       GLU  72  -1.151   3.765 -14.656
  516   1HG   GLU  72          2HG       GLU  72  -0.450   0.982 -13.756
  517   2HG   GLU  72          1HG       GLU  72  -1.369   1.357 -15.210
  518    HA   PRO  73           HA       PRO  73  -1.314   6.782 -10.480
  519   1HB   PRO  73          2HB       PRO  73   0.281   8.876 -11.513
  520   2HB   PRO  73          1HB       PRO  73   0.570   7.954 -10.038
  521   1HG   PRO  73          2HG       PRO  73   2.155   7.916 -12.347
  522   2HG   PRO  73          1HG       PRO  73   2.228   6.756 -11.012
  523   1HD   PRO  73          2HD       PRO  73   0.896   6.511 -13.666
  524   2HD   PRO  73          1HD       PRO  73   1.670   5.262 -12.665
  525    H    ALA  74           H        ALA  74  -3.287   7.357 -11.109
  526    HA   ALA  74           HA       ALA  74  -3.757   9.483 -12.911
  527   1HB   ALA  74          1HB       ALA  74  -4.626   6.766 -13.905
  528   2HB   ALA  74          2HB       ALA  74  -3.341   7.748 -14.607
  529   3HB   ALA  74          3HB       ALA  74  -5.009   8.318 -14.649
  530    HA   PRO  75           HA       PRO  75  -6.918   8.599  -9.767
  531   1HB   PRO  75          2HB       PRO  75  -6.941  11.375  -9.048
  532   2HB   PRO  75          1HB       PRO  75  -6.285  10.021  -8.129
  533   1HG   PRO  75          2HG       PRO  75  -4.778  12.035  -9.279
  534   2HG   PRO  75          1HG       PRO  75  -4.160  10.442  -8.816
  535   1HD   PRO  75          2HD       PRO  75  -4.942  11.467 -11.512
  536   2HD   PRO  75          1HD       PRO  75  -3.631  10.356 -11.055
  537    H    ALA  76           H        ALA  76  -7.558  11.935 -10.236
  538    HA   ALA  76           HA       ALA  76  -9.492  11.417 -12.383
  539   1HB   ALA  76          1HB       ALA  76 -10.014  13.131  -9.947
  540   2HB   ALA  76          2HB       ALA  76 -10.751  11.563 -10.282
  541   3HB   ALA  76          3HB       ALA  76 -11.094  12.942 -11.327
  542    HA   PRO  77           HA       PRO  77  -6.514  14.942 -12.850
  543   1HB   PRO  77          2HB       PRO  77  -4.833  13.966 -14.662
  544   2HB   PRO  77          1HB       PRO  77  -4.811  13.359 -12.997
  545   1HG   PRO  77          2HG       PRO  77  -5.946  12.097 -15.449
  546   2HG   PRO  77          1HG       PRO  77  -5.112  11.350 -14.071
  547   1HD   PRO  77          2HD       PRO  77  -7.896  11.524 -14.449
  548   2HD   PRO  77          1HD       PRO  77  -7.059  11.061 -12.955
  549    H    LYS  78           H        LYS  78  -9.109  14.709 -14.077
  550    HA   LYS  78           HA       LYS  78  -8.678  15.504 -16.845
  551   1HB   LYS  78          2HB       LYS  78 -10.538  13.950 -16.282
  552   2HB   LYS  78          1HB       LYS  78 -11.281  15.225 -15.325
  553   1HG   LYS  78          2HG       LYS  78 -12.267  14.963 -17.580
  554   2HG   LYS  78          1HG       LYS  78 -11.615  16.577 -17.279
  555   1HD   LYS  78          2HD       LYS  78  -9.542  15.911 -18.456
  556   2HD   LYS  78          1HD       LYS  78 -10.289  14.357 -18.831
  557   1HE   LYS  78          2HE       LYS  78 -11.984  15.428 -20.146
  558   2HE   LYS  78          1HE       LYS  78 -11.422  17.024 -19.652
  559   1HZ   LYS  78          1HZ       LYS  78  -9.832  15.072 -21.224
  560   2HZ   LYS  78          2HZ       LYS  78  -9.353  16.641 -20.804
  561   3HZ   LYS  78          3HZ       LYS  78 -10.643  16.405 -21.878
  562    H    GLU  79           H        GLU  79 -10.198  16.805 -13.897
  563    HA   GLU  79           HA       GLU  79 -10.218  19.457 -15.082
  564   1HB   GLU  79          2HB       GLU  79 -11.160  18.545 -12.359
  565   2HB   GLU  79          1HB       GLU  79 -11.401  20.145 -13.045
  566   1HG   GLU  79          2HG       GLU  79 -12.709  19.107 -14.878
  567   2HG   GLU  79          1HG       GLU  79 -12.551  17.555 -14.058
  568    H    ASP  80           H        ASP  80  -9.098  18.127 -11.957
  569    HA   ASP  80           HA       ASP  80  -6.843  20.015 -12.125
  570   1HB   ASP  80          2HB       ASP  80  -8.279  20.374 -10.153
  571   2HB   ASP  80          1HB       ASP  80  -7.995  18.707  -9.651