*HEADER    MEMBRANE PROTEIN, METAL TRANSPORT       15-JUN-05   2A02              
*TITLE     SOLUTION NMR STRUCTURE OF THE PERIPLASMIC SIGNALING DOMAIN            
*TITLE    2 OF THE OUTER MEMBRANE IRON TRANSPORTER PUPA FROM                     
*TITLE    3 PSEUDOMONAS PUTIDA.                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FERRIC-PSEUDOBACTIN 358 RECEPTOR;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL RESIDUES;                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA;                             
*SOURCE   3 GENE: PUPA;                                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 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 2A02    0                                                
 ASSI {    2}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 17   and name HN  ))
      2.600     0.800     0.800 peak     2 spectrum    1 weight  0.11000E+01 volume  0.38107E-02 ppm1      8.323 ppm2      8.078 CV     1
 ASSI {    3}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 15   and name HN  ))
      2.400     0.700     0.700 peak     3 spectrum    1 weight  0.11000E+01 volume  0.47996E-02 ppm1      8.324 ppm2      7.282 CV     1
 ASSI {    5}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 40   and name HN  ))
      4.300     2.300     1.700 peak     5 spectrum    1 weight  0.11000E+01 volume  0.52759E-03 ppm1      8.512 ppm2      9.041 CV     1
 ASSI {    6}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 14   and name HN  ))
      2.600     0.800     0.800 peak     6 spectrum    1 weight  0.11000E+01 volume  0.41188E-02 ppm1      8.513 ppm2      8.660 CV     1
 ASSI {    7}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 43   and name HN  ))
      3.700     1.700     1.700 peak     7 spectrum    1 weight  0.11000E+01 volume  0.90243E-03 ppm1      8.863 ppm2      8.084 CV     1
 ASSI {    8}
   (( segid "pupa" and resid 58   and name HN  ))
   (( segid "pupa" and resid 57   and name HN  ))
      2.500     0.800     0.800 peak     8 spectrum    1 weight  0.11000E+01 volume  0.42192E-02 ppm1      7.385 ppm2      7.698 CV     1
 ASSI {    9}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 22   and name HN  ))
      2.700     0.900     0.900 peak     9 spectrum    1 weight  0.11000E+01 volume  0.37293E-02 ppm1      8.171 ppm2      7.624 CV     1
 ASSI {   11}
   (( segid "pupa" and resid 19   and name HN  ))
   (( segid "pupa" and resid 20   and name HN  ))
      2.400     0.700     0.700 peak    11 spectrum    1 weight  0.11000E+01 volume  0.56289E-02 ppm1      7.869 ppm2      8.153 CV     1
 ASSI {   12}
   (( segid "pupa" and resid 19   and name HN  ))
   (( segid "pupa" and resid 18   and name HN  ))
      2.500     0.800     0.800 peak    12 spectrum    1 weight  0.11000E+01 volume  0.50970E-02 ppm1      7.869 ppm2      7.459 CV     1
 ASSI {   13}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak    13 spectrum    1 weight  0.11000E+01 volume  0.24708E-02 ppm1      9.266 ppm2      8.503 CV     1
 ASSI {   14}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 4    and name HN  ))
      3.000     1.100     1.100 peak    14 spectrum    1 weight  0.11000E+01 volume  0.21238E-02 ppm1      8.695 ppm2      8.288 CV     1
 ASSI {   15}
   (( segid "pupa" and resid 53   and name HN  ))
   (( segid "pupa" and resid 52   and name HN  ))
      2.700     0.900     0.900 peak    15 spectrum    1 weight  0.11000E+01 volume  0.29201E-02 ppm1      7.507 ppm2      7.842 CV     1
 ASSI {   17}
   (( segid "pupa" and resid 63   and name HN  ))
   (( segid "pupa" and resid 64   and name HN  ))
      4.500     2.600     1.500 peak    17 spectrum    1 weight  0.11000E+01 volume  0.44328E-03 ppm1      8.854 ppm2      7.625 CV     1
 ASSI {   18}
   (( segid "pupa" and resid 7    and name HN  ))
   (( segid "pupa" and resid 23   and name HE22))
      3.500     1.600     1.600 peak    18 spectrum    1 weight  0.11000E+01 volume  0.61904E-03 ppm1      8.728 ppm2      6.550 CV     1
 ASSI {   19}
   (( segid "pupa" and resid 63   and name HN  ))
   (( segid "pupa" and resid 74   and name HN  ))
      2.900     1.000     1.000 peak    19 spectrum    1 weight  0.11000E+01 volume  0.23949E-02 ppm1      8.853 ppm2      8.749 CV     1
 ASSI {   20}
   (( segid "pupa" and resid 20   and name HN  ))
   (( segid "pupa" and resid 22   and name HN  ))
      5.200     3.300     0.800 peak    20 spectrum    1 weight  0.11000E+01 volume  0.20192E-03 ppm1      8.161 ppm2      7.612 CV     1
 ASSI {   21}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 64   and name HN  ))
      4.900     3.000     1.100 peak    21 spectrum    1 weight  0.11000E+01 volume  0.32427E-03 ppm1      8.481 ppm2      7.623 CV     1
 ASSI {   23}
   (( segid "pupa" and resid 20   and name HN  ))
   (( segid "pupa" and resid 18   and name HN  ))
      5.200     3.400     0.800 peak    23 spectrum    1 weight  0.11000E+01 volume  0.11226E-03 ppm1      8.161 ppm2      7.462 CV     1
 ASSI {   24}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 72   and name HN  ))
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.11000E+01 volume  0.26623E-02 ppm1      8.479 ppm2      8.772 CV     1
 ASSI {   26}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 61   and name HN  ))
      3.000     1.100     1.100 peak    26 spectrum    1 weight  0.11000E+01 volume  0.19589E-02 ppm1      7.642 ppm2      8.631 CV     1
 ASSI {   28}
   (( segid "pupa" and resid 25   and name HN  ))
   (( segid "pupa" and resid 24   and name HN  ))
      2.300     0.600     0.600 peak    28 spectrum    1 weight  0.11000E+01 volume  0.71776E-02 ppm1      7.418 ppm2      7.101 CV     1
 ASSI {   29}
   (( segid "pupa" and resid 3    and name HN  ))
   (( segid "pupa" and resid 4    and name HN  ))
      4.500     2.500     1.500 peak    29 spectrum    1 weight  0.11000E+01 volume  0.58816E-03 ppm1      7.390 ppm2      8.289 CV     1
 ASSI {   30}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 57   and name HN  ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.11000E+01 volume  0.59091E-02 ppm1      8.141 ppm2      7.691 CV     1
 ASSI {   31}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 55   and name HN  ))
      2.400     0.700     0.700 peak    31 spectrum    1 weight  0.11000E+01 volume  0.49022E-02 ppm1      8.140 ppm2      7.597 CV     1
 ASSI {   32}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 58   and name HN  ))
      4.900     3.100     1.100 peak    32 spectrum    1 weight  0.11000E+01 volume  0.13664E-03 ppm1      8.140 ppm2      7.363 CV     1
 ASSI {   33}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 40   and name HN  ))
      3.000     3.000     3.000 peak    33 spectrum    1 weight  0.11000E+01 volume  0.26096E-02 ppm1      8.031 ppm2      9.040 CV     1
 ASSI {   34}
   (( segid "pupa" and resid 38   and name HN  ))
   (( segid "pupa" and resid 37   and name HN  ))
      2.800     1.000     1.000 peak    34 spectrum    1 weight  0.11000E+01 volume  0.20298E-02 ppm1      7.214 ppm2      8.642 CV     1
 ASSI {   35}
   (( segid "pupa" and resid 74   and name HN  ))
   (( segid "pupa" and resid 75   and name HN  ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.11000E+01 volume  0.85257E-04 ppm1      8.718 ppm2      8.285 CV     1
 ASSI {   36}
   (( segid "pupa" and resid 34   and name HN  ))
   (( segid "pupa" and resid 33   and name HN  ))
      2.600     0.900     0.900 peak    36 spectrum    1 weight  0.11000E+01 volume  0.33956E-02 ppm1      7.555 ppm2      8.658 CV     1
 ASSI {   37}
   (( segid "pupa" and resid 34   and name HN  ))
   (( segid "pupa" and resid 35   and name HN  ))
      2.300     0.700     0.700 peak    37 spectrum    1 weight  0.11000E+01 volume  0.54051E-02 ppm1      7.555 ppm2      6.918 CV     1
 ASSI {   42}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 51   and name HN  ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.11000E+01 volume  0.30658E-02 ppm1      8.505 ppm2      8.749 CV     1
 ASSI {   43}
   (( segid "pupa" and resid 52   and name HN  ))
   (( segid "pupa" and resid 51   and name HN  ))
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.11000E+01 volume  0.32564E-02 ppm1      7.844 ppm2      8.754 CV     1
 ASSI {   45}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 17   and name HN  ))
      2.600     0.800     0.800 peak    45 spectrum    1 weight  0.11000E+01 volume  0.36454E-02 ppm1      7.456 ppm2      8.077 CV     1
 ASSI {   48}
   (( segid "pupa" and resid 68   and name HN  ))
   (( segid "pupa" and resid 67   and name HN  ))
      4.400     2.400     1.600 peak    48 spectrum    1 weight  0.11000E+01 volume  0.25205E-03 ppm1      8.925 ppm2      8.762 CV     1
 ASSI {   49}
   (( segid "pupa" and resid 68   and name HN  ))
   (( segid "pupa" and resid 69   and name HN  ))
      4.700     2.800     1.300 peak    49 spectrum    1 weight  0.11000E+01 volume  0.22344E-03 ppm1      8.925 ppm2      8.618 CV     1
 ASSI {   50}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 24   and name HN  ))
      2.600     0.900     0.900 peak    50 spectrum    1 weight  0.11000E+01 volume  0.35321E-02 ppm1      8.092 ppm2      7.096 CV     1
 ASSI {   51}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 23   and name HN  ))
      2.400     0.700     0.700 peak    51 spectrum    1 weight  0.11000E+01 volume  0.63148E-02 ppm1      7.629 ppm2      8.118 CV     1
 ASSI {   52}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 25   and name HN  ))
      5.300     3.500     0.700 peak    52 spectrum    1 weight  0.11000E+01 volume  0.12661E-03 ppm1      7.624 ppm2      7.400 CV     1
 ASSI {   53}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 24   and name HN  ))
      6.000     6.000     0.000 peak    53 spectrum    1 weight  0.11000E+01 volume  0.26044E-04 ppm1      7.626 ppm2      7.103 CV     1
 ASSI {   57}
   (( segid "pupa" and resid 17   and name HN  ))
   (( segid "pupa" and resid 15   and name HN  ))
      4.800     2.800     1.200 peak    57 spectrum    1 weight  0.11000E+01 volume  0.19803E-03 ppm1      8.076 ppm2      7.285 CV     1
 ASSI {   58}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 48   and name HN  ))
      4.100     2.100     1.900 peak    58 spectrum    1 weight  0.11000E+01 volume  0.49372E-03 ppm1      8.756 ppm2      8.205 CV     1
 ASSI {   61}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 53   and name HN  ))
      4.700     2.800     1.300 peak    61 spectrum    1 weight  0.11000E+01 volume  0.21618E-03 ppm1      8.751 ppm2      7.527 CV     1
 ASSI {   63}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 16   and name HN  ))
      4.800     2.900     1.200 peak    63 spectrum    1 weight  0.11000E+01 volume  0.27493E-03 ppm1      8.677 ppm2      8.334 CV     1
 ASSI {   65}
   (( segid "pupa" and resid 70   and name HN  ))
   (( segid "pupa" and resid 67   and name HN  ))
      3.200     1.300     1.300 peak    65 spectrum    1 weight  0.11000E+01 volume  0.11618E-02 ppm1      7.978 ppm2      8.739 CV     1
 ASSI {   66}
   (( segid "pupa" and resid 70   and name HN  ))
   (( segid "pupa" and resid 69   and name HN  ))
      2.600     0.800     0.800 peak    66 spectrum    1 weight  0.11000E+01 volume  0.50141E-02 ppm1      7.976 ppm2      8.626 CV     1
 ASSI {   67}
   (( segid "pupa" and resid 14   and name HD21))
   (( segid "pupa" and resid 14   and name HD22))
      1.800     0.400     0.400 peak    67 spectrum    1 weight  0.11000E+01 volume  0.16142E-01 ppm1      7.626 ppm2      6.949 CV     1
 ASSI {   69}
   (( segid "pupa" and resid 15   and name HN  ))
   (( segid "pupa" and resid 14   and name HN  ))
      2.700     0.900     0.900 peak    69 spectrum    1 weight  0.11000E+01 volume  0.31058E-02 ppm1      7.281 ppm2      8.674 CV     1
 ASSI {   72}
   (( segid "pupa" and resid 65   and name HE21))
   (( segid "pupa" and resid 65   and name HE22))
      1.700     1.700     4.300 peak    72 spectrum    1 weight  0.11000E+01 volume  0.27469E-01 ppm1      7.633 ppm2      6.648 CV     1
 ASSI {   74}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 6    and name HN  ))
      3.400     1.400     1.400 peak    74 spectrum    1 weight  0.11000E+01 volume  0.95734E-03 ppm1      8.323 ppm2      8.580 CV     1
 ASSI {   75}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 46   and name HN  ))
      4.300     2.300     1.700 peak    75 spectrum    1 weight  0.11000E+01 volume  0.72194E-03 ppm1      8.327 ppm2      8.086 CV     1
 ASSI {   76}
   (( segid "pupa" and resid 69   and name HD21))
   (( segid "pupa" and resid 69   and name HD22))
      1.700     0.400     0.500 peak    76 spectrum    1 weight  0.11000E+01 volume  0.26193E-01 ppm1      7.538 ppm2      6.952 CV     1
 ASSI {   77}
   (( segid "pupa" and resid 18   and name HE22))
   (( segid "pupa" and resid 18   and name HE21))
      1.700     0.400     0.500 peak    77 spectrum    1 weight  0.11000E+01 volume  0.25271E-01 ppm1      7.234 ppm2      6.841 CV     1
 ASSI {   79}
   (( segid "pupa" and resid 27   and name HE22))
   (( segid "pupa" and resid 27   and name HE21))
      1.700     1.700     4.300 peak    79 spectrum    1 weight  0.11000E+01 volume  0.24601E-01 ppm1      6.689 ppm2      7.295 CV     1
 ASSI {   80}
   (( segid "pupa" and resid 50   and name HE21))
   (( segid "pupa" and resid 50   and name HE22))
      1.700     0.400     0.500 peak    80 spectrum    1 weight  0.11000E+01 volume  0.24018E-01 ppm1      7.606 ppm2      6.915 CV     1
 ASSI {   82}
   (( segid "pupa" and resid 2    and name HE21))
   (( segid "pupa" and resid 2    and name HE22))
      1.700     0.300     0.500 peak    82 spectrum    1 weight  0.11000E+01 volume  0.27936E-01 ppm1      7.077 ppm2      6.737 CV     1
 ASSI {   86}
   (( segid "pupa" and resid 58   and name HE21))
   (( segid "pupa" and resid 58   and name HE22))
      1.700     0.400     0.500 peak    86 spectrum    1 weight  0.11000E+01 volume  0.25822E-01 ppm1      7.496 ppm2      6.829 CV     1
 ASSI {   90}
   (( segid "pupa" and resid 11   and name HE22))
   (( segid "pupa" and resid 11   and name HE21))
      1.900     0.400     0.400 peak    90 spectrum    1 weight  0.11000E+01 volume  0.10443E-01 ppm1      7.121 ppm2      7.678 CV     1
 ASSI {   92}
   (( segid "pupa" and resid 26   and name HN  ))
   (( segid "pupa" and resid 27   and name HN  ))
      4.800     2.900     1.200 peak    92 spectrum    1 weight  0.11000E+01 volume  0.30431E-03 ppm1      7.614 ppm2      8.268 CV     1
 ASSI {   93}
   (( segid "pupa" and resid 26   and name HN  ))
   (( segid "pupa" and resid 25   and name HN  ))
      2.700     0.900     0.900 peak    93 spectrum    1 weight  0.11000E+01 volume  0.54289E-02 ppm1      7.617 ppm2      7.422 CV     1
 ASSI {   94}
   (( segid "pupa" and resid 26   and name HN  ))
   (( segid "pupa" and resid 24   and name HN  ))
      4.500     2.500     1.500 peak    94 spectrum    1 weight  0.11000E+01 volume  0.44854E-03 ppm1      7.618 ppm2      7.098 CV     1
 ASSI {   96}
   (( segid "pupa" and resid 57   and name HN  ))
   (( segid "pupa" and resid 55   and name HN  ))
      3.700     3.700     2.300 peak    96 spectrum    1 weight  0.11000E+01 volume  0.10912E-02 ppm1      7.697 ppm2      7.549 CV     1
 ASSI {   99}
   (( segid "pupa" and resid 36   and name HN  ))
   (( segid "pupa" and resid 37   and name HN  ))
      3.800     1.800     1.800 peak    99 spectrum    1 weight  0.11000E+01 volume  0.48665E-03 ppm1      7.624 ppm2      8.636 CV     1
 ASSI {  100}
   (( segid "pupa" and resid 36   and name HN  ))
   (( segid "pupa" and resid 35   and name HN  ))
      2.100     0.500     0.500 peak   100 spectrum    1 weight  0.11000E+01 volume  0.67590E-02 ppm1      7.623 ppm2      6.916 CV     1
 ASSI {  101}
   (( segid "pupa" and resid 23   and name HE21))
   (( segid "pupa" and resid 23   and name HE22))
      1.700     0.400     0.500 peak   101 spectrum    1 weight  0.11000E+01 volume  0.20370E-01 ppm1      7.127 ppm2      6.549 CV     1
 ASSI {  104}
   (( segid "pupa" and resid 60   and name HN  ))
   (( segid "pupa" and resid 61   and name HN  ))
      2.700     0.900     0.900 peak   104 spectrum    1 weight  0.11000E+01 volume  0.28585E-02 ppm1      7.772 ppm2      8.625 CV     1
 ASSI {  107}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 73   and name HN  ))
      3.800     1.800     1.800 peak   107 spectrum    1 weight  0.11000E+01 volume  0.67427E-03 ppm1      9.249 ppm2      8.777 CV     1
 ASSI {  108}
   (( segid "pupa" and resid 42   and name HN  ))
   (( segid "pupa" and resid 43   and name HN  ))
      4.400     2.400     1.600 peak   108 spectrum    1 weight  0.11000E+01 volume  0.63292E-03 ppm1      8.569 ppm2      8.077 CV     1
 ASSI {  111}
   (( segid "pupa" and resid 71   and name HN  ))
   (( segid "pupa" and resid 27   and name HN  ))
      3.700     1.800     1.800 peak   111 spectrum    1 weight  0.11000E+01 volume  0.59019E-03 ppm1      9.115 ppm2      8.266 CV     1
 ASSI {  112}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 67   and name HN  ))
      4.100     2.100     1.900 peak   112 spectrum    1 weight  0.11000E+01 volume  0.87494E-03 ppm1      8.918 ppm2      8.761 CV     1
 ASSI {  113}
   (( segid "pupa" and resid 42   and name HN  ))
   (( segid "pupa" and resid 10   and name HN  ))
      5.100     3.300     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.36453E-03 ppm1      8.572 ppm2      8.248 CV     1
 ASSI {  114}
   (( segid "pupa" and resid 42   and name HN  ))
   (( segid "pupa" and resid 41   and name HN  ))
      4.800     2.900     1.200 peak   114 spectrum    1 weight  0.11000E+01 volume  0.38132E-03 ppm1      8.572 ppm2      7.348 CV     1
 ASSI {  115}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 65   and name HN  ))
      5.100     3.200     0.900 peak   115 spectrum    1 weight  0.11000E+01 volume  0.19095E-03 ppm1      8.925 ppm2      8.473 CV     1
 ASSI {  116}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 28   and name HN  ))
      5.700     4.000     0.300 peak   116 spectrum    1 weight  0.11000E+01 volume  0.12775E-03 ppm1      9.257 ppm2      8.279 CV     1
 ASSI {  117}
   (( segid "pupa" and resid 60   and name HN  ))
   (( segid "pupa" and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   117 spectrum    1 weight  0.11000E+01 volume  0.49731E-03 ppm1      7.770 ppm2      8.953 CV     1
 ASSI {    1}
   (( segid "pupa" and resid 4    and name HE1 ))
   (( segid "pupa" and resid 4    and name HZ2 ))
      2.500     2.500     3.500 peak     1 spectrum    2 weight  0.11000E+01 volume  0.28869E-02 ppm1      9.882 ppm2      7.416 CV     1
 ASSI {    1}
   (( segid "pupa" and resid 4    and name HE1 ))
   (( segid "pupa" and resid 4    and name HD1 ))
      2.600     0.900     0.900 peak     1 spectrum    2 weight  0.11000E+01 volume  0.57678E-02 ppm1      9.882 ppm2      7.263 CV     1
 ASSI {    3}
   (( segid "pupa" and resid 4    and name HE1 ))
   (( segid "pupa" and resid 4    and name HB1 ))
      3.600     3.600     2.400 peak     3 spectrum    2 weight  0.11000E+01 volume  0.20709E-02 ppm1      9.882 ppm2      3.208 CV     1
 ASSI {    4}
   (( segid "pupa" and resid 4    and name HE1 ))
   (( segid "pupa" and resid 4    and name HB2 ))
      4.700     2.700     1.300 peak     4 spectrum    2 weight  0.11000E+01 volume  0.42773E-03 ppm1      9.882 ppm2      2.836 CV     1
 ASSI {    6}
   (( segid "pupa" and resid 73   and name HN  ))
   (( segid "pupa" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak     6 spectrum    2 weight  0.11000E+01 volume  0.80678E-02 ppm1      8.772 ppm2      5.289 CV     1
 ASSI {    7}
   (( segid "pupa" and resid 73   and name HN  ))
   (( segid "pupa" and resid 72   and name HB  ))
      5.400     3.600     0.600 peak     7 spectrum    2 weight  0.11000E+01 volume  0.15609E-03 ppm1      8.774 ppm2      3.941 CV     1
 ASSI {    8}
   (( segid "pupa" and resid 73   and name HN  ))
   (( segid "pupa" and resid 73   and name HB  ))
      2.500     0.800     0.800 peak     8 spectrum    2 weight  0.11000E+01 volume  0.42258E-02 ppm1      8.772 ppm2      1.950 CV     1
 ASSI {    9}
   (( segid "pupa" and resid 73   and name HN  ))
   (( segid "pupa" and resid 73   and name HA  ))
      3.000     1.100     1.100 peak     9 spectrum    2 weight  0.11000E+01 volume  0.16098E-02 ppm1      8.771 ppm2      5.077 CV     1
 ASSI {   10}
   (( segid "pupa" and resid 73   and name HN  ))
   (( segid "pupa" and resid 30   and name HB2 ))
      4.400     2.500     1.600 peak    10 spectrum    2 weight  0.11000E+01 volume  0.62298E-03 ppm1      8.770 ppm2      3.275 CV     1
 ASSI {   11}
   (( segid "pupa" and resid 73   and name HN  ))
   (  segid "pupa" and resid 72   and name HG2%)
      2.900     1.000     1.000 peak    11 spectrum    2 weight  0.11000E+01 volume  0.29155E-02 ppm1      8.770 ppm2      1.122 CV     1
 ASSI {   12}
   (( segid "pupa" and resid 73   and name HN  ))
   (  segid "pupa" and resid 73   and name HG2%)
      2.700     2.700     3.300 peak    12 spectrum    2 weight  0.11000E+01 volume  0.51332E-02 ppm1      8.771 ppm2      0.802 CV     1
 ASSI {   13}
   (( segid "pupa" and resid 67   and name HN  ))
   (( segid "pupa" and resid 67   and name HB2 ))
      3.100     1.200     1.200 peak    13 spectrum    2 weight  0.11000E+01 volume  0.20145E-02 ppm1      8.742 ppm2      2.700 CV     1
 ASSI {   14}
   (( segid "pupa" and resid 67   and name HN  ))
   (( segid "pupa" and resid 67   and name HA  ))
      2.800     0.900     0.900 peak    14 spectrum    2 weight  0.11000E+01 volume  0.32708E-02 ppm1      8.741 ppm2      4.901 CV     1
 ASSI {   15}
   (( segid "pupa" and resid 67   and name HN  ))
   (( segid "pupa" and resid 66   and name HA  ))
      2.100     0.600     0.600 peak    15 spectrum    2 weight  0.11000E+01 volume  0.11267E-01 ppm1      8.740 ppm2      4.529 CV     1
 ASSI {   16}
   (( segid "pupa" and resid 67   and name HN  ))
   (( segid "pupa" and resid 70   and name HB  ))
      4.700     2.700     1.300 peak    16 spectrum    2 weight  0.11000E+01 volume  0.14192E-03 ppm1      8.741 ppm2      4.195 CV     1
 ASSI {   17}
   (( segid "pupa" and resid 67   and name HN  ))
   (( segid "pupa" and resid 67   and name HB1 ))
      3.400     1.500     1.500 peak    17 spectrum    2 weight  0.11000E+01 volume  0.12510E-02 ppm1      8.741 ppm2      2.473 CV     1
 ASSI {   18}
   (( segid "pupa" and resid 67   and name HN  ))
   (  segid "pupa" and resid 66   and name HG2%)
      3.000     3.000     3.000 peak    18 spectrum    2 weight  0.11000E+01 volume  0.47250E-02 ppm1      8.742 ppm2      0.948 CV     1
 ASSI {   19}
   (( segid "pupa" and resid 6    and name HN  ))
   (( segid "pupa" and resid 46   and name HA  ))
      3.200     1.300     1.300 peak    19 spectrum    2 weight  0.11000E+01 volume  0.97964E-03 ppm1      8.581 ppm2      5.260 CV     1
 ASSI {   20}
   (( segid "pupa" and resid 6    and name HN  ))
   (( segid "pupa" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak    20 spectrum    2 weight  0.11000E+01 volume  0.14222E-02 ppm1      8.579 ppm2      4.815 CV     1
 ASSI {   21}
   (( segid "pupa" and resid 6    and name HN  ))
   (( segid "pupa" and resid 5    and name HA  ))
      2.200     0.600     0.600 peak    21 spectrum    2 weight  0.11000E+01 volume  0.81578E-02 ppm1      8.580 ppm2      4.408 CV     1
 ASSI {   22}
   (( segid "pupa" and resid 6    and name HN  ))
   (( segid "pupa" and resid 45   and name HA1 ))
      5.400     3.700     0.600 peak    22 spectrum    2 weight  0.11000E+01 volume  0.11391E-03 ppm1      8.581 ppm2      3.861 CV     1
 ASSI {   23}
   (( segid "pupa" and resid 6    and name HN  ))
   (( segid "pupa" and resid 6    and name HG  ))
      2.400     0.700     0.700 peak    23 spectrum    2 weight  0.11000E+01 volume  0.51279E-02 ppm1      8.579 ppm2      1.622 CV     1
 ASSI {   24}
   (( segid "pupa" and resid 6    and name HN  ))
   (( segid "pupa" and resid 6    and name HB1 ))
      3.500     1.600     1.600 peak    24 spectrum    2 weight  0.11000E+01 volume  0.21739E-02 ppm1      8.580 ppm2      1.253 CV     1
 ASSI {   25}
   (( segid "pupa" and resid 6    and name HN  ))
   (  segid "pupa" and resid 5    and name HG2%)
      3.400     3.400     2.600 peak    25 spectrum    2 weight  0.11000E+01 volume  0.19794E-02 ppm1      8.579 ppm2      1.115 CV     1
 ASSI {   26}
   (( segid "pupa" and resid 6    and name HN  ))
   (  segid "pupa" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak    26 spectrum    2 weight  0.11000E+01 volume  0.88956E-03 ppm1      8.582 ppm2      0.856 CV     1
 ASSI {   27}
   (( segid "pupa" and resid 6    and name HN  ))
   (  segid "pupa" and resid 6    and name HD2%)
      4.600     2.600     1.400 peak    27 spectrum    2 weight  0.11000E+01 volume  0.37104E-03 ppm1      8.575 ppm2      0.714 CV     1
 ASSI {   28}
   (( segid "pupa" and resid 44   and name HN  ))
   (( segid "pupa" and resid 44   and name HA  ))
      3.300     1.300     1.300 peak    28 spectrum    2 weight  0.11000E+01 volume  0.89387E-03 ppm1      8.704 ppm2      5.021 CV     1
 ASSI {   29}
   (( segid "pupa" and resid 44   and name HN  ))
   (( segid "pupa" and resid 43   and name HA  ))
      2.400     0.700     0.700 peak    29 spectrum    2 weight  0.11000E+01 volume  0.66303E-02 ppm1      8.705 ppm2      4.600 CV     1
 ASSI {   30}
   (( segid "pupa" and resid 44   and name HN  ))
   (( segid "pupa" and resid 43   and name HG  ))
      5.000     3.200     1.000 peak    30 spectrum    2 weight  0.11000E+01 volume  0.29442E-03 ppm1      8.706 ppm2      1.200 CV     1
 ASSI {   31}
   (( segid "pupa" and resid 44   and name HN  ))
   (  segid "pupa" and resid 43   and name HD2%)
      4.800     4.800     1.200 peak    31 spectrum    2 weight  0.11000E+01 volume  0.35286E-03 ppm1      8.706 ppm2      0.734 CV     1
 ASSI {   32}
   (( segid "pupa" and resid 44   and name HN  ))
   (  segid "pupa" and resid 43   and name HD1%)
      3.700     1.700     1.700 peak    32 spectrum    2 weight  0.11000E+01 volume  0.15846E-02 ppm1      8.704 ppm2      0.574 CV     1
 ASSI {   33}
   (( segid "pupa" and resid 44   and name HN  ))
   (( segid "pupa" and resid 44   and name HB2 ))
      3.900     1.900     1.900 peak    33 spectrum    2 weight  0.11000E+01 volume  0.77267E-03 ppm1      8.701 ppm2      1.827 CV     1
 ASSI {   34}
   (( segid "pupa" and resid 44   and name HN  ))
   (( segid "pupa" and resid 44   and name HB1 ))
      3.100     1.200     1.200 peak    34 spectrum    2 weight  0.11000E+01 volume  0.14048E-02 ppm1      8.703 ppm2      1.688 CV     1
 ASSI {   35}
   (( segid "pupa" and resid 71   and name HN  ))
   (( segid "pupa" and resid 70   and name HA  ))
      2.200     0.600     0.600 peak    35 spectrum    2 weight  0.11000E+01 volume  0.93285E-02 ppm1      9.116 ppm2      5.108 CV     1
 ASSI {   36}
   (( segid "pupa" and resid 71   and name HN  ))
   (( segid "pupa" and resid 71   and name HA  ))
      3.300     1.300     1.300 peak    36 spectrum    2 weight  0.11000E+01 volume  0.98452E-03 ppm1      9.116 ppm2      4.892 CV     1
 ASSI {   37}
   (( segid "pupa" and resid 71   and name HN  ))
   (( segid "pupa" and resid 71   and name HB  ))
      2.600     0.800     0.800 peak    37 spectrum    2 weight  0.11000E+01 volume  0.40026E-02 ppm1      9.114 ppm2      2.070 CV     1
 ASSI {   38}
   (( segid "pupa" and resid 71   and name HN  ))
   (  segid "pupa" and resid 70   and name HG2%)
      3.300     1.400     1.400 peak    38 spectrum    2 weight  0.11000E+01 volume  0.22979E-02 ppm1      9.114 ppm2      1.156 CV     1
 ASSI {   39}
   (( segid "pupa" and resid 71   and name HN  ))
   (  segid "pupa" and resid 26   and name HG2%)
      4.800     4.800     1.200 peak    39 spectrum    2 weight  0.11000E+01 volume  0.34005E-03 ppm1      9.119 ppm2      0.980 CV     1
 ASSI {   40}
   (( segid "pupa" and resid 71   and name HN  ))
   (  segid "pupa" and resid 71   and name HG1%)
      3.300     1.400     1.400 peak    40 spectrum    2 weight  0.11000E+01 volume  0.36614E-02 ppm1      9.116 ppm2      0.815 CV     1
 ASSI {   41}
   (( segid "pupa" and resid 71   and name HN  ))
   (( segid "pupa" and resid 70   and name HB  ))
      4.400     2.400     1.600 peak    41 spectrum    2 weight  0.11000E+01 volume  0.41210E-03 ppm1      9.112 ppm2      4.205 CV     1
 ASSI {   42}
   (( segid "pupa" and resid 71   and name HN  ))
   (  segid "pupa" and resid 28   and name HD2%)
      4.400     4.400     1.600 peak    42 spectrum    2 weight  0.11000E+01 volume  0.41663E-03 ppm1      9.112 ppm2      0.665 CV     1
 ASSI {   43}
   (( segid "pupa" and resid 28   and name HN  ))
   (  segid "pupa" and resid 28   and name HD2%)
      5.100     3.300     0.900 peak    43 spectrum    2 weight  0.11000E+01 volume  0.17368E-03 ppm1      8.275 ppm2      0.652 CV     1
 ASSI {   44}
   (( segid "pupa" and resid 28   and name HN  ))
   (( segid "pupa" and resid 28   and name HA  ))
      3.200     1.300     1.300 peak    44 spectrum    2 weight  0.11000E+01 volume  0.11573E-02 ppm1      8.271 ppm2      5.177 CV     1
 ASSI {   45}
   (( segid "pupa" and resid 28   and name HN  ))
   (( segid "pupa" and resid 27   and name HA  ))
      2.200     0.600     0.600 peak    45 spectrum    2 weight  0.11000E+01 volume  0.10494E-01 ppm1      8.270 ppm2      4.475 CV     1
 ASSI {   46}
   (( segid "pupa" and resid 28   and name HN  ))
   (( segid "pupa" and resid 27   and name HB1 ))
      4.000     2.000     2.000 peak    46 spectrum    2 weight  0.11000E+01 volume  0.12165E-02 ppm1      8.273 ppm2      2.032 CV     1
 OR {   46}
   (( segid "pupa" and resid 28   and name HN  ))
   (( segid "pupa" and resid 27   and name HB2 ))
 ASSI {   47}
   (( segid "pupa" and resid 28   and name HN  ))
   (( segid "pupa" and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak    47 spectrum    2 weight  0.11000E+01 volume  0.48391E-02 ppm1      8.270 ppm2      1.722 CV     1
 ASSI {   48}
   (( segid "pupa" and resid 28   and name HN  ))
   (( segid "pupa" and resid 28   and name HB1 ))
      3.500     1.500     1.500 peak    48 spectrum    2 weight  0.11000E+01 volume  0.31084E-02 ppm1      8.269 ppm2      1.539 CV     1
 ASSI {   49}
   (( segid "pupa" and resid 28   and name HN  ))
   (  segid "pupa" and resid 28   and name HD1%)
      4.400     2.400     1.600 peak    49 spectrum    2 weight  0.11000E+01 volume  0.42352E-03 ppm1      8.268 ppm2      0.786 CV     1
 ASSI {   51}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 13   and name HA  ))
      3.500     1.500     1.500 peak    51 spectrum    2 weight  0.11000E+01 volume  0.89518E-03 ppm1      8.324 ppm2      4.296 CV     1
 ASSI {   52}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 15   and name HB2 ))
      3.500     1.500     1.500 peak    52 spectrum    2 weight  0.11000E+01 volume  0.85401E-03 ppm1      8.323 ppm2      4.017 CV     1
 ASSI {   53}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 16   and name HA  ))
      2.600     0.800     0.800 peak    53 spectrum    2 weight  0.11000E+01 volume  0.27287E-02 ppm1      8.323 ppm2      3.794 CV     1
 ASSI {   54}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak    54 spectrum    2 weight  0.11000E+01 volume  0.22532E-02 ppm1      8.323 ppm2      2.366 CV     1
 ASSI {   55}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 18   and name HB1 ))
      4.600     2.700     1.400 peak    55 spectrum    2 weight  0.11000E+01 volume  0.39145E-03 ppm1      8.323 ppm2      2.122 CV     1
 OR {   55}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 18   and name HB2 ))
 ASSI {   56}
   (( segid "pupa" and resid 16   and name HN  ))
   (  segid "pupa" and resid 16   and name HB% )
      2.400     0.700     0.700 peak    56 spectrum    2 weight  0.11000E+01 volume  0.58357E-02 ppm1      8.323 ppm2      1.454 CV     1
 ASSI {   57}
   (( segid "pupa" and resid 16   and name HN  ))
   (  segid "pupa" and resid 8    and name HG2%)
      5.600     4.000     0.400 peak    57 spectrum    2 weight  0.11000E+01 volume  0.23860E-03 ppm1      8.326 ppm2      0.813 CV     1
 ASSI {   58}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 15   and name HA  ))
      3.800     1.800     1.800 peak    58 spectrum    2 weight  0.11000E+01 volume  0.72375E-03 ppm1      8.321 ppm2      4.164 CV     1
 ASSI {   59}
   (( segid "pupa" and resid 16   and name HN  ))
   (( segid "pupa" and resid 17   and name HG  ))
      4.100     2.100     1.900 peak    59 spectrum    2 weight  0.11000E+01 volume  0.63742E-03 ppm1      8.322 ppm2      1.593 CV     1
 ASSI {   60}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 29   and name HA  ))
      3.200     1.200     1.200 peak    60 spectrum    2 weight  0.11000E+01 volume  0.12753E-02 ppm1      9.251 ppm2      4.615 CV     1
 ASSI {   61}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 71   and name HB  ))
      5.100     3.200     0.900 peak    61 spectrum    2 weight  0.11000E+01 volume  0.17856E-03 ppm1      9.254 ppm2      2.071 CV     1
 ASSI {   62}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 72   and name HA  ))
      2.700     0.900     0.900 peak    62 spectrum    2 weight  0.11000E+01 volume  0.38234E-02 ppm1      9.249 ppm2      5.280 CV     1
 ASSI {   63}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 28   and name HA  ))
      2.100     0.600     0.600 peak    63 spectrum    2 weight  0.11000E+01 volume  0.10183E-01 ppm1      9.249 ppm2      5.179 CV     1
 ASSI {   64}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak    64 spectrum    2 weight  0.11000E+01 volume  0.30753E-02 ppm1      9.249 ppm2      1.888 CV     1
 ASSI {   65}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 28   and name HG  ))
      5.000     3.200     1.000 peak    65 spectrum    2 weight  0.11000E+01 volume  0.39841E-03 ppm1      9.248 ppm2      1.728 CV     1
 ASSI {   66}
   (( segid "pupa" and resid 29   and name HN  ))
   (( segid "pupa" and resid 29   and name HB1 ))
      2.700     0.900     0.900 peak    66 spectrum    2 weight  0.11000E+01 volume  0.35624E-02 ppm1      9.248 ppm2      1.473 CV     1
 ASSI {   67}
   (( segid "pupa" and resid 29   and name HN  ))
   (  segid "pupa" and resid 72   and name HG2%)
      4.800     2.900     1.200 peak    67 spectrum    2 weight  0.11000E+01 volume  0.34560E-03 ppm1      9.248 ppm2      1.153 CV     1
 ASSI {   68}
   (( segid "pupa" and resid 29   and name HN  ))
   (  segid "pupa" and resid 73   and name HG2%)
      3.000     3.000     3.000 peak    68 spectrum    2 weight  0.11000E+01 volume  0.24310E-02 ppm1      9.249 ppm2      0.793 CV     1
 ASSI {   69}
   (( segid "pupa" and resid 29   and name HN  ))
   (  segid "pupa" and resid 28   and name HD2%)
      5.100     3.300     0.900 peak    69 spectrum    2 weight  0.11000E+01 volume  0.30843E-03 ppm1      9.245 ppm2      0.655 CV     1
 ASSI {   71}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 66   and name HB  ))
      2.500     0.800     0.800 peak    71 spectrum    2 weight  0.11000E+01 volume  0.51845E-02 ppm1      8.918 ppm2      1.814 CV     1
 ASSI {   72}
   (( segid "pupa" and resid 66   and name HN  ))
   (  segid "pupa" and resid 66   and name HG2%)
      2.800     1.000     1.000 peak    72 spectrum    2 weight  0.11000E+01 volume  0.27373E-02 ppm1      8.921 ppm2      0.950 CV     1
 ASSI {   73}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 66   and name HA  ))
      2.200     2.200     3.800 peak    73 spectrum    2 weight  0.11000E+01 volume  0.10092E-01 ppm1      8.918 ppm2      4.548 CV     1
 ASSI {   74}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 65   and name HG1 ))
      4.300     2.300     1.700 peak    74 spectrum    2 weight  0.11000E+01 volume  0.88818E-03 ppm1      8.918 ppm2      2.232 CV     1
 OR {   74}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 65   and name HG2 ))
 ASSI {   75}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 65   and name HB1 ))
      3.800     1.800     1.800 peak    75 spectrum    2 weight  0.11000E+01 volume  0.10712E-02 ppm1      8.916 ppm2      1.958 CV     1
 ASSI {   76}
   (( segid "pupa" and resid 77   and name HN  ))
   (( segid "pupa" and resid 76   and name HA  ))
      2.700     0.900     0.900 peak    76 spectrum    2 weight  0.11000E+01 volume  0.44538E-02 ppm1      8.313 ppm2      4.307 CV     1
 ASSI {   77}
   (( segid "pupa" and resid 77   and name HN  ))
   (( segid "pupa" and resid 76   and name HB1 ))
      3.700     1.700     1.700 peak    77 spectrum    2 weight  0.11000E+01 volume  0.95134E-03 ppm1      8.315 ppm2      3.828 CV     1
 OR {   77}
   (( segid "pupa" and resid 77   and name HN  ))
   (( segid "pupa" and resid 76   and name HB2 ))
 ASSI {   78}
   (( segid "pupa" and resid 77   and name HN  ))
   (  segid "pupa" and resid 77   and name HB% )
      3.000     1.100     1.100 peak    78 spectrum    2 weight  0.11000E+01 volume  0.28232E-02 ppm1      8.314 ppm2      1.372 CV     1
 ASSI {   79}
   (( segid "pupa" and resid 69   and name HN  ))
   (( segid "pupa" and resid 68   and name HA2 ))
      2.600     0.800     0.800 peak    79 spectrum    2 weight  0.11000E+01 volume  0.55772E-02 ppm1      8.627 ppm2      4.031 CV     1
 ASSI {   80}
   (( segid "pupa" and resid 69   and name HN  ))
   (( segid "pupa" and resid 69   and name HB1 ))
      3.100     1.200     1.200 peak    80 spectrum    2 weight  0.11000E+01 volume  0.31772E-02 ppm1      8.627 ppm2      2.917 CV     1
 ASSI {   81}
   (( segid "pupa" and resid 69   and name HN  ))
   (( segid "pupa" and resid 68   and name HA1 ))
      3.000     1.100     1.100 peak    81 spectrum    2 weight  0.11000E+01 volume  0.23202E-02 ppm1      8.625 ppm2      3.658 CV     1
 ASSI {   82}
   (( segid "pupa" and resid 69   and name HN  ))
   (( segid "pupa" and resid 69   and name HA  ))
      3.100     1.200     1.200 peak    82 spectrum    2 weight  0.11000E+01 volume  0.15731E-02 ppm1      8.628 ppm2      4.889 CV     1
 ASSI {   83}
   (( segid "pupa" and resid 42   and name HN  ))
   (( segid "pupa" and resid 41   and name HA  ))
      2.200     0.600     0.600 peak    83 spectrum    2 weight  0.11000E+01 volume  0.94728E-02 ppm1      8.571 ppm2      4.693 CV     1
 ASSI {   84}
   (( segid "pupa" and resid 42   and name HN  ))
   (( segid "pupa" and resid 42   and name HA  ))
      2.800     1.000     1.000 peak    84 spectrum    2 weight  0.11000E+01 volume  0.30300E-02 ppm1      8.571 ppm2      4.021 CV     1
 ASSI {   85}
   (( segid "pupa" and resid 42   and name HN  ))
   (( segid "pupa" and resid 41   and name HB1 ))
      3.200     1.300     1.300 peak    85 spectrum    2 weight  0.11000E+01 volume  0.25746E-02 ppm1      8.571 ppm2      3.837 CV     1
 ASSI {   86}
   (( segid "pupa" and resid 42   and name HN  ))
   (  segid "pupa" and resid 42   and name HB% )
      2.200     0.600     0.600 peak    86 spectrum    2 weight  0.11000E+01 volume  0.11298E-01 ppm1      8.571 ppm2      1.345 CV     1
 ASSI {   87}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 35   and name HG11))
      5.400     3.600     0.600 peak    87 spectrum    2 weight  0.11000E+01 volume  0.14960E-03 ppm1      8.510 ppm2      1.278 CV     1
 ASSI {   88}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 39   and name HA  ))
      3.200     1.300     1.300 peak    88 spectrum    2 weight  0.11000E+01 volume  0.27233E-02 ppm1      8.513 ppm2      4.857 CV     1
 ASSI {   89}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    89 spectrum    2 weight  0.11000E+01 volume  0.71201E-02 ppm1      8.513 ppm2      4.410 CV     1
 ASSI {   90}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 13   and name HA  ))
      2.600     0.900     0.900 peak    90 spectrum    2 weight  0.11000E+01 volume  0.35077E-02 ppm1      8.513 ppm2      4.297 CV     1
 ASSI {   91}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak    91 spectrum    2 weight  0.11000E+01 volume  0.17204E-02 ppm1      8.513 ppm2      4.178 CV     1
 OR {   91}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 12   and name HB1 ))
 ASSI {   92}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 13   and name HG2 ))
      4.000     2.000     2.000 peak    92 spectrum    2 weight  0.11000E+01 volume  0.79135E-03 ppm1      8.514 ppm2      2.149 CV     1
 OR {   92}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 13   and name HG1 ))
 ASSI {   93}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak    93 spectrum    2 weight  0.11000E+01 volume  0.33873E-02 ppm1      8.513 ppm2      1.999 CV     1
 ASSI {   94}
   (( segid "pupa" and resid 13   and name HN  ))
   (  segid "pupa" and resid 13   and name HE% )
      4.200     2.200     1.800 peak    94 spectrum    2 weight  0.11000E+01 volume  0.45717E-03 ppm1      8.513 ppm2      1.878 CV     1
 ASSI {   95}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 39   and name HB2 ))
      5.100     3.300     0.900 peak    95 spectrum    2 weight  0.11000E+01 volume  0.61111E-03 ppm1      8.514 ppm2      1.766 CV     1
 ASSI {   96}
   (( segid "pupa" and resid 13   and name HN  ))
   (( segid "pupa" and resid 13   and name HB1 ))
      3.000     1.100     1.100 peak    96 spectrum    2 weight  0.11000E+01 volume  0.41439E-02 ppm1      8.513 ppm2      1.613 CV     1
 ASSI {   97}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 7    and name HA  ))
      2.100     0.600     0.600 peak    97 spectrum    2 weight  0.11000E+01 volume  0.84245E-02 ppm1      8.865 ppm2      4.867 CV     1
 ASSI {   98}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 7    and name HB1 ))
      5.000     3.200     1.000 peak    98 spectrum    2 weight  0.11000E+01 volume  0.25267E-03 ppm1      8.868 ppm2      2.495 CV     1
 ASSI {   99}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 8    and name HB  ))
      2.600     0.800     0.800 peak    99 spectrum    2 weight  0.11000E+01 volume  0.26693E-02 ppm1      8.865 ppm2      1.878 CV     1
 ASSI {  100}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 44   and name HB1 ))
      2.900     1.100     1.100 peak   100 spectrum    2 weight  0.11000E+01 volume  0.15373E-02 ppm1      8.865 ppm2      1.675 CV     1
 ASSI {  101}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 8    and name HG12))
      3.000     1.200     1.200 peak   101 spectrum    2 weight  0.11000E+01 volume  0.15095E-02 ppm1      8.864 ppm2      1.512 CV     1
 ASSI {  102}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 44   and name HG1 ))
      6.000     5.200     0.000 peak   102 spectrum    2 weight  0.11000E+01 volume  0.74143E-04 ppm1      8.863 ppm2      1.365 CV     1
 OR {  102}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 44   and name HG2 ))
 ASSI {  103}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 6    and name HB1 ))
      3.700     3.700     2.300 peak   103 spectrum    2 weight  0.11000E+01 volume  0.77829E-03 ppm1      8.863 ppm2      1.219 CV     1
 ASSI {  104}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 8    and name HG11))
      4.000     2.000     2.000 peak   104 spectrum    2 weight  0.11000E+01 volume  0.44524E-03 ppm1      8.867 ppm2      0.965 CV     1
 ASSI {  105}
   (( segid "pupa" and resid 8    and name HN  ))
   (  segid "pupa" and resid 8    and name HG2%)
      3.800     1.800     1.800 peak   105 spectrum    2 weight  0.11000E+01 volume  0.12855E-02 ppm1      8.865 ppm2      0.830 CV     1
 ASSI {  106}
   (( segid "pupa" and resid 8    and name HN  ))
   (  segid "pupa" and resid 8    and name HD1%)
      3.700     1.700     1.700 peak   106 spectrum    2 weight  0.11000E+01 volume  0.72619E-03 ppm1      8.863 ppm2      0.715 CV     1
 ASSI {  107}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 9    and name HD1 ))
      4.600     2.600     1.400 peak   107 spectrum    2 weight  0.11000E+01 volume  0.43133E-03 ppm1      8.864 ppm2      3.571 CV     1
 OR {  107}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 9    and name HD2 ))
 ASSI {  108}
   (( segid "pupa" and resid 8    and name HN  ))
   (( segid "pupa" and resid 44   and name HA  ))
      3.100     1.200     1.200 peak   108 spectrum    2 weight  0.11000E+01 volume  0.76267E-03 ppm1      8.864 ppm2      5.021 CV     1
 ASSI {  110}
   (( segid "pupa" and resid 75   and name HN  ))
   (( segid "pupa" and resid 75   and name HA  ))
      2.200     0.600     0.600 peak   110 spectrum    2 weight  0.11000E+01 volume  0.12665E-01 ppm1      8.301 ppm2      4.635 CV     1
 ASSI {  111}
   (( segid "pupa" and resid 75   and name HN  ))
   (( segid "pupa" and resid 74   and name HB  ))
      3.200     1.300     1.300 peak   111 spectrum    2 weight  0.11000E+01 volume  0.40190E-02 ppm1      8.300 ppm2      4.129 CV     1
 ASSI {  112}
   (( segid "pupa" and resid 75   and name HN  ))
   (  segid "pupa" and resid 75   and name HB% )
      2.500     0.800     0.800 peak   112 spectrum    2 weight  0.11000E+01 volume  0.59298E-02 ppm1      8.301 ppm2      1.370 CV     1
 ASSI {  113}
   (( segid "pupa" and resid 75   and name HN  ))
   (  segid "pupa" and resid 74   and name HG2%)
      3.700     1.700     1.700 peak   113 spectrum    2 weight  0.11000E+01 volume  0.15052E-02 ppm1      8.300 ppm2      1.115 CV     1
 ASSI {  114}
   (( segid "pupa" and resid 75   and name HN  ))
   (  segid "pupa" and resid 62   and name HD2%)
      4.200     2.200     1.800 peak   114 spectrum    2 weight  0.11000E+01 volume  0.55588E-03 ppm1      8.301 ppm2      0.704 CV     1
 ASSI {  115}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 18   and name HA  ))
      3.300     1.300     1.300 peak   115 spectrum    2 weight  0.11000E+01 volume  0.12616E-02 ppm1      8.172 ppm2      4.036 CV     1
 ASSI {  116}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 21   and name HA  ))
      2.900     1.100     1.100 peak   116 spectrum    2 weight  0.11000E+01 volume  0.24505E-02 ppm1      8.171 ppm2      3.890 CV     1
 ASSI {  117}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 17   and name HA  ))
      4.100     2.100     1.900 peak   117 spectrum    2 weight  0.11000E+01 volume  0.47492E-03 ppm1      8.171 ppm2      3.787 CV     1
 ASSI {  118}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 20   and name HA  ))
      3.500     1.600     1.600 peak   118 spectrum    2 weight  0.11000E+01 volume  0.83214E-03 ppm1      8.170 ppm2      3.627 CV     1
 ASSI {  119}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 22   and name HB1 ))
      5.200     3.300     0.800 peak   119 spectrum    2 weight  0.11000E+01 volume  0.29492E-03 ppm1      8.171 ppm2      1.968 CV     1
 OR {  119}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 22   and name HB2 ))
 ASSI {  120}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 20   and name HB2 ))
      3.300     1.300     1.300 peak   120 spectrum    2 weight  0.11000E+01 volume  0.32702E-02 ppm1      8.171 ppm2      1.816 CV     1
 ASSI {  121}
   (( segid "pupa" and resid 21   and name HN  ))
   (  segid "pupa" and resid 21   and name HB% )
      2.400     0.700     0.700 peak   121 spectrum    2 weight  0.11000E+01 volume  0.76636E-02 ppm1      8.171 ppm2      1.545 CV     1
 ASSI {  122}
   (( segid "pupa" and resid 21   and name HN  ))
   (( segid "pupa" and resid 20   and name HB1 ))
      2.900     1.100     1.100 peak   122 spectrum    2 weight  0.11000E+01 volume  0.18665E-02 ppm1      8.171 ppm2      1.169 CV     1
 ASSI {  123}
   (( segid "pupa" and resid 21   and name HN  ))
   (  segid "pupa" and resid 20   and name HD2%)
      3.900     3.900     2.100 peak   123 spectrum    2 weight  0.11000E+01 volume  0.11557E-02 ppm1      8.171 ppm2      0.520 CV     1
 ASSI {  124}
   (( segid "pupa" and resid 78   and name HN  ))
   (( segid "pupa" and resid 78   and name HA  ))
      2.600     0.800     0.800 peak   124 spectrum    2 weight  0.11000E+01 volume  0.51945E-02 ppm1      8.085 ppm2      4.253 CV     1
 ASSI {  125}
   (( segid "pupa" and resid 72   and name HN  ))
   (( segid "pupa" and resid 72   and name HA  ))
      3.400     1.400     1.400 peak   125 spectrum    2 weight  0.11000E+01 volume  0.81534E-03 ppm1      8.776 ppm2      5.286 CV     1
 ASSI {  126}
   (( segid "pupa" and resid 72   and name HN  ))
   (( segid "pupa" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   126 spectrum    2 weight  0.11000E+01 volume  0.90530E-02 ppm1      8.779 ppm2      4.892 CV     1
 ASSI {  127}
   (( segid "pupa" and resid 72   and name HN  ))
   (( segid "pupa" and resid 66   and name HA  ))
      4.000     2.000     2.000 peak   127 spectrum    2 weight  0.11000E+01 volume  0.70283E-03 ppm1      8.780 ppm2      4.526 CV     1
 ASSI {  128}
   (( segid "pupa" and resid 72   and name HN  ))
   (( segid "pupa" and resid 72   and name HB  ))
      2.700     0.900     0.900 peak   128 spectrum    2 weight  0.11000E+01 volume  0.31515E-02 ppm1      8.779 ppm2      3.937 CV     1
 ASSI {  129}
   (( segid "pupa" and resid 72   and name HN  ))
   (( segid "pupa" and resid 65   and name HB1 ))
      4.300     2.400     1.700 peak   129 spectrum    2 weight  0.11000E+01 volume  0.33356E-03 ppm1      8.777 ppm2      1.933 CV     1
 ASSI {  130}
   (( segid "pupa" and resid 72   and name HN  ))
   (  segid "pupa" and resid 72   and name HG2%)
      4.200     2.300     1.800 peak   130 spectrum    2 weight  0.11000E+01 volume  0.85032E-03 ppm1      8.778 ppm2      1.125 CV     1
 ASSI {  131}
   (( segid "pupa" and resid 72   and name HN  ))
   (  segid "pupa" and resid 71   and name HG1%)
      2.800     1.000     1.000 peak   131 spectrum    2 weight  0.11000E+01 volume  0.38582E-02 ppm1      8.779 ppm2      0.800 CV     1
 ASSI {  132}
   (( segid "pupa" and resid 39   and name HN  ))
   (( segid "pupa" and resid 38   and name HB1 ))
      3.200     1.300     1.300 peak   132 spectrum    2 weight  0.11000E+01 volume  0.35139E-02 ppm1      8.675 ppm2      1.272 CV     1
 ASSI {  133}
   (( segid "pupa" and resid 39   and name HN  ))
   (  segid "pupa" and resid 38   and name HD2%)
      2.700     2.700     3.300 peak   133 spectrum    2 weight  0.11000E+01 volume  0.15308E-02 ppm1      8.674 ppm2      0.955 CV     1
 ASSI {  134}
   (( segid "pupa" and resid 39   and name HN  ))
   (( segid "pupa" and resid 39   and name HA  ))
      2.900     1.100     1.100 peak   134 spectrum    2 weight  0.11000E+01 volume  0.13914E-02 ppm1      8.674 ppm2      4.853 CV     1
 ASSI {  135}
   (( segid "pupa" and resid 39   and name HN  ))
   (( segid "pupa" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   135 spectrum    2 weight  0.11000E+01 volume  0.79816E-02 ppm1      8.674 ppm2      4.614 CV     1
 ASSI {  136}
   (( segid "pupa" and resid 39   and name HN  ))
   (( segid "pupa" and resid 39   and name HB2 ))
      3.500     1.500     1.500 peak   136 spectrum    2 weight  0.11000E+01 volume  0.23140E-02 ppm1      8.674 ppm2      1.779 CV     1
 ASSI {  137}
   (( segid "pupa" and resid 39   and name HN  ))
   (( segid "pupa" and resid 39   and name HB1 ))
      2.500     0.800     0.800 peak   137 spectrum    2 weight  0.11000E+01 volume  0.56377E-02 ppm1      8.673 ppm2      1.565 CV     1
 ASSI {  138}
   (( segid "pupa" and resid 19   and name HN  ))
   (( segid "pupa" and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   138 spectrum    2 weight  0.11000E+01 volume  0.33894E-02 ppm1      7.869 ppm2      4.187 CV     1
 ASSI {  139}
   (( segid "pupa" and resid 19   and name HN  ))
   (( segid "pupa" and resid 18   and name HA  ))
      3.500     1.500     1.500 peak   139 spectrum    2 weight  0.11000E+01 volume  0.97052E-03 ppm1      7.869 ppm2      4.054 CV     1
 ASSI {  140}
   (( segid "pupa" and resid 19   and name HN  ))
   (( segid "pupa" and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   140 spectrum    2 weight  0.11000E+01 volume  0.12452E-02 ppm1      7.869 ppm2      3.793 CV     1
 ASSI {  141}
   (( segid "pupa" and resid 19   and name HN  ))
   (( segid "pupa" and resid 18   and name HB1 ))
      2.800     1.000     1.000 peak   141 spectrum    2 weight  0.11000E+01 volume  0.34661E-02 ppm1      7.869 ppm2      2.085 CV     1
 OR {  141}
   (( segid "pupa" and resid 19   and name HN  ))
   (( segid "pupa" and resid 18   and name HB2 ))
 ASSI {  142}
   (( segid "pupa" and resid 19   and name HN  ))
   (  segid "pupa" and resid 19   and name HB% )
      2.300     0.700     0.700 peak   142 spectrum    2 weight  0.11000E+01 volume  0.84020E-02 ppm1      7.869 ppm2      1.508 CV     1
 ASSI {  143}
   (( segid "pupa" and resid 19   and name HN  ))
   (  segid "pupa" and resid 8    and name HG2%)
      5.200     3.400     0.800 peak   143 spectrum    2 weight  0.11000E+01 volume  0.16606E-03 ppm1      7.870 ppm2      0.837 CV     1
 ASSI {  144}
   (( segid "pupa" and resid 2    and name HN  ))
   (( segid "pupa" and resid 1    and name HA  ))
      2.700     0.900     0.900 peak   144 spectrum    2 weight  0.11000E+01 volume  0.42268E-02 ppm1      8.291 ppm2      4.532 CV     1
 ASSI {  145}
   (( segid "pupa" and resid 2    and name HN  ))
   (( segid "pupa" and resid 1    and name HB1 ))
      3.100     1.200     1.200 peak   145 spectrum    2 weight  0.11000E+01 volume  0.28141E-02 ppm1      8.291 ppm2      3.906 CV     1
 ASSI {  146}
   (( segid "pupa" and resid 2    and name HN  ))
   (( segid "pupa" and resid 2    and name HB2 ))
      3.000     1.100     1.100 peak   146 spectrum    2 weight  0.11000E+01 volume  0.26033E-02 ppm1      8.292 ppm2      1.757 CV     1
 ASSI {  147}
   (( segid "pupa" and resid 2    and name HN  ))
   (( segid "pupa" and resid 2    and name HG1 ))
      4.400     2.400     1.600 peak   147 spectrum    2 weight  0.11000E+01 volume  0.33436E-03 ppm1      8.291 ppm2      1.638 CV     1
 OR {  147}
   (( segid "pupa" and resid 2    and name HN  ))
   (( segid "pupa" and resid 2    and name HG2 ))
 ASSI {  148}
   (( segid "pupa" and resid 2    and name HN  ))
   (( segid "pupa" and resid 2    and name HB1 ))
      3.200     1.300     1.300 peak   148 spectrum    2 weight  0.11000E+01 volume  0.20798E-02 ppm1      8.291 ppm2      1.497 CV     1
 ASSI {  149}
   (( segid "pupa" and resid 10   and name HN  ))
   (( segid "pupa" and resid 9    and name HA  ))
      2.300     0.700     0.700 peak   149 spectrum    2 weight  0.11000E+01 volume  0.73337E-02 ppm1      8.251 ppm2      4.307 CV     1
 ASSI {  150}
   (( segid "pupa" and resid 10   and name HN  ))
   (( segid "pupa" and resid 15   and name HB2 ))
      4.000     2.000     2.000 peak   150 spectrum    2 weight  0.11000E+01 volume  0.15144E-02 ppm1      8.252 ppm2      4.023 CV     1
 ASSI {  151}
   (( segid "pupa" and resid 10   and name HN  ))
   (( segid "pupa" and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   151 spectrum    2 weight  0.11000E+01 volume  0.21740E-02 ppm1      8.252 ppm2      3.886 CV     1
 ASSI {  152}
   (( segid "pupa" and resid 10   and name HN  ))
   (( segid "pupa" and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak   152 spectrum    2 weight  0.11000E+01 volume  0.18050E-02 ppm1      8.253 ppm2      2.324 CV     1
 ASSI {  153}
   (( segid "pupa" and resid 10   and name HN  ))
   (( segid "pupa" and resid 9    and name HB1 ))
      3.000     1.100     1.100 peak   153 spectrum    2 weight  0.11000E+01 volume  0.21201E-02 ppm1      8.252 ppm2      1.811 CV     1
 ASSI {  154}
   (( segid "pupa" and resid 10   and name HN  ))
   (  segid "pupa" and resid 10   and name HB% )
      2.200     0.600     0.600 peak   154 spectrum    2 weight  0.11000E+01 volume  0.11700E-01 ppm1      8.251 ppm2      1.341 CV     1
 ASSI {  155}
   (( segid "pupa" and resid 79   and name HN  ))
   (( segid "pupa" and resid 79   and name HA  ))
      2.600     0.800     0.800 peak   155 spectrum    2 weight  0.11000E+01 volume  0.60618E-02 ppm1      8.069 ppm2      4.293 CV     1
 ASSI {  156}
   (( segid "pupa" and resid 79   and name HN  ))
   (  segid "pupa" and resid 79   and name HB% )
      2.400     2.400     3.600 peak   156 spectrum    2 weight  0.11000E+01 volume  0.10763E-01 ppm1      8.071 ppm2      1.360 CV     1
 ASSI {  157}
   (( segid "pupa" and resid 19   and name HN  ))
   (  segid "pupa" and resid 8    and name HD1%)
      5.200     5.200     0.800 peak   157 spectrum    2 weight  0.11000E+01 volume  0.17323E-03 ppm1      7.870 ppm2      0.705 CV     1
 ASSI {  158}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 4    and name HZ3 ))
      2.700     2.700     3.300 peak   158 spectrum    2 weight  0.11000E+01 volume  0.20255E-02 ppm1      9.265 ppm2      6.914 CV     1
 ASSI {  159}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak   159 spectrum    2 weight  0.11000E+01 volume  0.25421E-02 ppm1      9.266 ppm2      5.421 CV     1
 ASSI {  160}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 49   and name HA  ))
      2.900     1.100     1.100 peak   160 spectrum    2 weight  0.11000E+01 volume  0.18353E-02 ppm1      9.265 ppm2      4.076 CV     1
 ASSI {  161}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 48   and name HB2 ))
      2.900     1.000     1.000 peak   161 spectrum    2 weight  0.11000E+01 volume  0.37546E-02 ppm1      9.265 ppm2      3.382 CV     1
 ASSI {  162}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 48   and name HB1 ))
      3.100     1.200     1.200 peak   162 spectrum    2 weight  0.11000E+01 volume  0.19468E-02 ppm1      9.265 ppm2      2.738 CV     1
 ASSI {  163}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 49   and name HB2 ))
      2.300     0.700     0.700 peak   163 spectrum    2 weight  0.11000E+01 volume  0.63760E-02 ppm1      9.265 ppm2      1.899 CV     1
 OR {  163}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 49   and name HB1 ))
 ASSI {  164}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 49   and name HG  ))
      4.500     2.500     1.500 peak   164 spectrum    2 weight  0.11000E+01 volume  0.57477E-03 ppm1      9.264 ppm2      1.579 CV     1
 ASSI {  165}
   (( segid "pupa" and resid 49   and name HN  ))
   (  segid "pupa" and resid 49   and name HD2%)
      5.100     3.300     0.900 peak   165 spectrum    2 weight  0.11000E+01 volume  0.39681E-03 ppm1      9.266 ppm2      0.847 CV     1
 ASSI {  166}
   (( segid "pupa" and resid 49   and name HN  ))
   (  segid "pupa" and resid 49   and name HD1%)
      5.100     3.300     0.900 peak   166 spectrum    2 weight  0.11000E+01 volume  0.32806E-03 ppm1      9.266 ppm2      0.720 CV     1
 ASSI {  167}
   (( segid "pupa" and resid 46   and name HN  ))
   (( segid "pupa" and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   167 spectrum    2 weight  0.11000E+01 volume  0.10935E-02 ppm1      8.085 ppm2      5.256 CV     1
 ASSI {  168}
   (( segid "pupa" and resid 46   and name HN  ))
   (( segid "pupa" and resid 45   and name HA2 ))
      2.700     0.900     0.900 peak   168 spectrum    2 weight  0.11000E+01 volume  0.58564E-02 ppm1      8.085 ppm2      4.465 CV     1
 ASSI {  169}
   (( segid "pupa" and resid 46   and name HN  ))
   (( segid "pupa" and resid 45   and name HA1 ))
      2.600     0.800     0.800 peak   169 spectrum    2 weight  0.11000E+01 volume  0.39126E-02 ppm1      8.085 ppm2      3.855 CV     1
 ASSI {  170}
   (( segid "pupa" and resid 46   and name HN  ))
   (( segid "pupa" and resid 46   and name HB2 ))
      2.700     0.900     0.900 peak   170 spectrum    2 weight  0.11000E+01 volume  0.47444E-02 ppm1      8.085 ppm2      1.588 CV     1
 ASSI {  171}
   (( segid "pupa" and resid 46   and name HN  ))
   (( segid "pupa" and resid 46   and name HB1 ))
      2.400     0.700     0.700 peak   171 spectrum    2 weight  0.11000E+01 volume  0.60063E-02 ppm1      8.087 ppm2      1.433 CV     1
 ASSI {  172}
   (( segid "pupa" and resid 47   and name HN  ))
   (  segid "pupa" and resid 6    and name HD1%)
      3.600     1.600     1.600 peak   172 spectrum    2 weight  0.11000E+01 volume  0.75030E-03 ppm1      8.696 ppm2      0.860 CV     1
 ASSI {  173}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   173 spectrum    2 weight  0.11000E+01 volume  0.13620E-02 ppm1      8.693 ppm2      5.014 CV     1
 ASSI {  174}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 5    and name HA  ))
      3.900     1.900     1.900 peak   174 spectrum    2 weight  0.11000E+01 volume  0.16051E-02 ppm1      8.692 ppm2      4.405 CV     1
 ASSI {  175}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 47   and name HB2 ))
      3.400     1.400     1.400 peak   175 spectrum    2 weight  0.11000E+01 volume  0.83439E-03 ppm1      8.691 ppm2      3.496 CV     1
 ASSI {  176}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 47   and name HB1 ))
      3.500     1.500     1.500 peak   176 spectrum    2 weight  0.11000E+01 volume  0.17545E-02 ppm1      8.693 ppm2      2.825 CV     1
 ASSI {  177}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 46   and name HB1 ))
      4.200     2.200     1.800 peak   177 spectrum    2 weight  0.11000E+01 volume  0.93866E-03 ppm1      8.693 ppm2      1.465 CV     1
 ASSI {  178}
   (( segid "pupa" and resid 47   and name HN  ))
   (  segid "pupa" and resid 6    and name HD2%)
      4.000     2.000     2.000 peak   178 spectrum    2 weight  0.11000E+01 volume  0.14947E-03 ppm1      8.691 ppm2      0.714 CV     1
 ASSI {  179}
   (( segid "pupa" and resid 43   and name HN  ))
   (( segid "pupa" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak   179 spectrum    2 weight  0.11000E+01 volume  0.14211E-02 ppm1      8.082 ppm2      4.612 CV     1
 ASSI {  180}
   (( segid "pupa" and resid 43   and name HN  ))
   (( segid "pupa" and resid 42   and name HA  ))
      2.200     0.600     0.600 peak   180 spectrum    2 weight  0.11000E+01 volume  0.10206E-01 ppm1      8.081 ppm2      4.013 CV     1
 ASSI {  181}
   (( segid "pupa" and resid 43   and name HN  ))
   (( segid "pupa" and resid 8    and name HB  ))
      3.300     1.300     1.300 peak   181 spectrum    2 weight  0.11000E+01 volume  0.92573E-03 ppm1      8.082 ppm2      1.860 CV     1
 ASSI {  182}
   (( segid "pupa" and resid 43   and name HN  ))
   (( segid "pupa" and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak   182 spectrum    2 weight  0.11000E+01 volume  0.43534E-02 ppm1      8.082 ppm2      1.698 CV     1
 ASSI {  183}
   (( segid "pupa" and resid 43   and name HN  ))
   (( segid "pupa" and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak   183 spectrum    2 weight  0.11000E+01 volume  0.29749E-02 ppm1      8.082 ppm2      1.159 CV     1
 ASSI {  184}
   (( segid "pupa" and resid 43   and name HN  ))
   (  segid "pupa" and resid 43   and name HD1%)
      6.000     4.500     0.000 peak   184 spectrum    2 weight  0.11000E+01 volume  0.10514E-03 ppm1      8.081 ppm2      0.574 CV     1
 ASSI {  185}
   (( segid "pupa" and resid 43   and name HN  ))
   (  segid "pupa" and resid 56   and name HD1%)
      3.700     3.700     2.300 peak   185 spectrum    2 weight  0.11000E+01 volume  0.86576E-03 ppm1      8.077 ppm2      0.744 CV     1
 ASSI {  186}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 46   and name HA  ))
      2.200     0.600     0.600 peak   186 spectrum    2 weight  0.11000E+01 volume  0.81084E-02 ppm1      8.695 ppm2      5.254 CV     1
 ASSI {  187}
   (( segid "pupa" and resid 81   and name HN  ))
   (( segid "pupa" and resid 80   and name HA  ))
      3.500     1.500     1.500 peak   187 spectrum    2 weight  0.11000E+01 volume  0.87194E-03 ppm1      8.200 ppm2      4.302 CV     1
 ASSI {  188}
   (( segid "pupa" and resid 81   and name HN  ))
   (( segid "pupa" and resid 81   and name HB1 ))
      5.400     3.600     0.600 peak   188 spectrum    2 weight  0.11000E+01 volume  0.13997E-03 ppm1      8.199 ppm2      2.620 CV     1
 ASSI {  189}
   (( segid "pupa" and resid 27   and name HN  ))
   (( segid "pupa" and resid 70   and name HA  ))
      3.200     1.200     1.200 peak   189 spectrum    2 weight  0.11000E+01 volume  0.16201E-02 ppm1      8.266 ppm2      5.116 CV     1
 ASSI {  190}
   (( segid "pupa" and resid 27   and name HN  ))
   (( segid "pupa" and resid 26   and name HB  ))
      2.300     0.700     0.700 peak   190 spectrum    2 weight  0.11000E+01 volume  0.35753E-02 ppm1      8.266 ppm2      3.610 CV     1
 ASSI {  191}
   (( segid "pupa" and resid 27   and name HN  ))
   (( segid "pupa" and resid 27   and name HG2 ))
      6.000     4.600     0.000 peak   191 spectrum    2 weight  0.11000E+01 volume  0.97696E-04 ppm1      8.268 ppm2      2.287 CV     1
 ASSI {  192}
   (( segid "pupa" and resid 27   and name HN  ))
   (( segid "pupa" and resid 27   and name HG1 ))
      5.300     3.600     0.700 peak   192 spectrum    2 weight  0.11000E+01 volume  0.14741E-03 ppm1      8.268 ppm2      2.161 CV     1
 ASSI {  193}
   (( segid "pupa" and resid 27   and name HN  ))
   (  segid "pupa" and resid 26   and name HG2%)
      3.900     1.900     1.900 peak   193 spectrum    2 weight  0.11000E+01 volume  0.20525E-02 ppm1      8.265 ppm2      0.968 CV     1
 ASSI {  194}
   (( segid "pupa" and resid 27   and name HN  ))
   (( segid "pupa" and resid 27   and name HA  ))
      2.200     2.200     3.800 peak   194 spectrum    2 weight  0.11000E+01 volume  0.88656E-02 ppm1      8.261 ppm2      4.496 CV     1
 ASSI {  195}
   (( segid "pupa" and resid 27   and name HN  ))
   (( segid "pupa" and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak   195 spectrum    2 weight  0.11000E+01 volume  0.53067E-02 ppm1      8.264 ppm2      2.005 CV     1
 OR {  195}
   (( segid "pupa" and resid 27   and name HN  ))
   (( segid "pupa" and resid 27   and name HB2 ))
 ASSI {  196}
   (( segid "pupa" and resid 27   and name HN  ))
   (  segid "pupa" and resid 71   and name HG2%)
      3.700     1.700     1.700 peak   196 spectrum    2 weight  0.11000E+01 volume  0.64672E-03 ppm1      8.263 ppm2      0.822 CV     1
 ASSI {  197}
   (( segid "pupa" and resid 63   and name HN  ))
   (( segid "pupa" and resid 63   and name HA  ))
      2.200     2.200     3.800 peak   197 spectrum    2 weight  0.11000E+01 volume  0.10440E-01 ppm1      8.852 ppm2      4.597 CV     1
 ASSI {  198}
   (( segid "pupa" and resid 63   and name HN  ))
   (( segid "pupa" and resid 63   and name HG1 ))
      3.200     1.300     1.300 peak   198 spectrum    2 weight  0.11000E+01 volume  0.23263E-02 ppm1      8.850 ppm2      1.496 CV     1
 OR {  198}
   (( segid "pupa" and resid 63   and name HN  ))
   (( segid "pupa" and resid 63   and name HG2 ))
 ASSI {  199}
   (( segid "pupa" and resid 7    and name HN  ))
   (( segid "pupa" and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   199 spectrum    2 weight  0.11000E+01 volume  0.93154E-02 ppm1      8.728 ppm2      4.824 CV     1
 ASSI {  200}
   (( segid "pupa" and resid 7    and name HN  ))
   (( segid "pupa" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak   200 spectrum    2 weight  0.11000E+01 volume  0.18525E-02 ppm1      8.729 ppm2      2.821 CV     1
 ASSI {  201}
   (( segid "pupa" and resid 7    and name HN  ))
   (( segid "pupa" and resid 7    and name HB1 ))
      3.600     1.600     1.600 peak   201 spectrum    2 weight  0.11000E+01 volume  0.10053E-02 ppm1      8.728 ppm2      2.500 CV     1
 ASSI {  202}
   (( segid "pupa" and resid 7    and name HN  ))
   (( segid "pupa" and resid 6    and name HG  ))
      4.100     2.100     1.900 peak   202 spectrum    2 weight  0.11000E+01 volume  0.15958E-02 ppm1      8.728 ppm2      1.634 CV     1
 ASSI {  203}
   (( segid "pupa" and resid 7    and name HN  ))
   (( segid "pupa" and resid 8    and name HG12))
      3.200     3.200     2.800 peak   203 spectrum    2 weight  0.11000E+01 volume  0.16818E-02 ppm1      8.729 ppm2      1.507 CV     1
 ASSI {  204}
   (( segid "pupa" and resid 7    and name HN  ))
   (( segid "pupa" and resid 6    and name HB1 ))
      3.000     1.100     1.100 peak   204 spectrum    2 weight  0.11000E+01 volume  0.20061E-02 ppm1      8.729 ppm2      1.248 CV     1
 ASSI {  207}
   (( segid "pupa" and resid 7    and name HN  ))
   (  segid "pupa" and resid 8    and name HD1%)
      3.200     1.300     1.300 peak   207 spectrum    2 weight  0.11000E+01 volume  0.19378E-02 ppm1      8.728 ppm2      0.711 CV     1
 ASSI {  208}
   (( segid "pupa" and resid 80   and name HN  ))
   (( segid "pupa" and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   208 spectrum    2 weight  0.11000E+01 volume  0.21791E-02 ppm1      8.142 ppm2      4.274 CV     1
 ASSI {  209}
   (( segid "pupa" and resid 63   and name HN  ))
   (( segid "pupa" and resid 63   and name HB1 ))
      3.000     1.100     1.100 peak   209 spectrum    2 weight  0.11000E+01 volume  0.31825E-02 ppm1      8.853 ppm2      1.654 CV     1
 ASSI {  210}
   (( segid "pupa" and resid 63   and name HN  ))
   (( segid "pupa" and resid 62   and name HB1 ))
      2.600     0.900     0.900 peak   210 spectrum    2 weight  0.11000E+01 volume  0.25597E-02 ppm1      8.852 ppm2      1.234 CV     1
 ASSI {  211}
   (( segid "pupa" and resid 63   and name HN  ))
   (  segid "pupa" and resid 73   and name HG2%)
      4.200     4.200     1.800 peak   211 spectrum    2 weight  0.11000E+01 volume  0.58083E-03 ppm1      8.856 ppm2      0.847 CV     1
 ASSI {  212}
   (( segid "pupa" and resid 63   and name HN  ))
   (  segid "pupa" and resid 62   and name HD2%)
      3.600     1.600     1.600 peak   212 spectrum    2 weight  0.11000E+01 volume  0.22152E-02 ppm1      8.852 ppm2      0.711 CV     1
 ASSI {  213}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 73   and name HA  ))
      4.200     2.200     1.800 peak   213 spectrum    2 weight  0.11000E+01 volume  0.42906E-03 ppm1      8.481 ppm2      5.077 CV     1
 ASSI {  214}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 65   and name HB1 ))
      2.800     1.000     1.000 peak   214 spectrum    2 weight  0.11000E+01 volume  0.29705E-02 ppm1      8.480 ppm2      1.948 CV     1
 OR {  214}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 65   and name HB2 ))
 ASSI {  215}
   (( segid "pupa" and resid 4    and name HN  ))
   (( segid "pupa" and resid 48   and name HA  ))
      4.000     2.000     2.000 peak   215 spectrum    2 weight  0.11000E+01 volume  0.43438E-03 ppm1      8.281 ppm2      5.410 CV     1
 ASSI {  216}
   (( segid "pupa" and resid 20   and name HN  ))
   (( segid "pupa" and resid 19   and name HA  ))
      3.800     1.800     1.800 peak   216 spectrum    2 weight  0.11000E+01 volume  0.70901E-03 ppm1      8.160 ppm2      4.191 CV     1
 ASSI {  217}
   (( segid "pupa" and resid 20   and name HN  ))
   (( segid "pupa" and resid 18   and name HA  ))
      4.100     2.100     1.900 peak   217 spectrum    2 weight  0.11000E+01 volume  0.39717E-03 ppm1      8.160 ppm2      4.037 CV     1
 ASSI {  218}
   (( segid "pupa" and resid 20   and name HN  ))
   (( segid "pupa" and resid 17   and name HA  ))
      2.900     1.100     1.100 peak   218 spectrum    2 weight  0.11000E+01 volume  0.19743E-02 ppm1      8.161 ppm2      3.779 CV     1
 ASSI {  219}
   (( segid "pupa" and resid 20   and name HN  ))
   (( segid "pupa" and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   219 spectrum    2 weight  0.11000E+01 volume  0.26179E-02 ppm1      8.160 ppm2      3.627 CV     1
 ASSI {  220}
   (( segid "pupa" and resid 20   and name HN  ))
   (( segid "pupa" and resid 20   and name HB2 ))
      2.200     0.600     0.600 peak   220 spectrum    2 weight  0.11000E+01 volume  0.73331E-02 ppm1      8.160 ppm2      1.819 CV     1
 ASSI {  221}
   (( segid "pupa" and resid 20   and name HN  ))
   (  segid "pupa" and resid 19   and name HB% )
      2.600     2.600     3.400 peak   221 spectrum    2 weight  0.11000E+01 volume  0.47439E-02 ppm1      8.161 ppm2      1.510 CV     1
 ASSI {  222}
   (( segid "pupa" and resid 20   and name HN  ))
   (( segid "pupa" and resid 20   and name HB1 ))
      2.600     0.800     0.800 peak   222 spectrum    2 weight  0.11000E+01 volume  0.52906E-02 ppm1      8.161 ppm2      1.174 CV     1
 ASSI {  223}
   (( segid "pupa" and resid 20   and name HN  ))
   (  segid "pupa" and resid 8    and name HD1%)
      3.000     3.000     3.000 peak   223 spectrum    2 weight  0.11000E+01 volume  0.30611E-02 ppm1      8.161 ppm2      0.702 CV     1
 ASSI {  224}
   (( segid "pupa" and resid 20   and name HN  ))
   (  segid "pupa" and resid 20   and name HD2%)
      3.700     1.700     1.700 peak   224 spectrum    2 weight  0.11000E+01 volume  0.21365E-02 ppm1      8.160 ppm2      0.532 CV     1
 ASSI {  225}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 64   and name HA  ))
      2.300     0.700     0.700 peak   225 spectrum    2 weight  0.11000E+01 volume  0.70938E-02 ppm1      8.479 ppm2      5.904 CV     1
 ASSI {  226}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 71   and name HA  ))
      5.300     3.500     0.700 peak   226 spectrum    2 weight  0.11000E+01 volume  0.16970E-03 ppm1      8.482 ppm2      4.900 CV     1
 ASSI {  227}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 65   and name HA  ))
      3.200     1.200     1.200 peak   227 spectrum    2 weight  0.11000E+01 volume  0.13127E-02 ppm1      8.481 ppm2      4.550 CV     1
 ASSI {  228}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 72   and name HB  ))
      3.800     1.800     1.800 peak   228 spectrum    2 weight  0.11000E+01 volume  0.60144E-03 ppm1      8.480 ppm2      3.935 CV     1
 ASSI {  229}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 65   and name HG2 ))
      4.400     2.400     1.600 peak   229 spectrum    2 weight  0.11000E+01 volume  0.35164E-03 ppm1      8.481 ppm2      2.236 CV     1
 OR {  229}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 65   and name HG1 ))
 ASSI {  230}
   (( segid "pupa" and resid 65   and name HN  ))
   (  segid "pupa" and resid 74   and name HG2%)
      5.100     5.100     0.900 peak   230 spectrum    2 weight  0.11000E+01 volume  0.14145E-03 ppm1      8.480 ppm2      1.119 CV     1
 ASSI {  231}
   (( segid "pupa" and resid 65   and name HN  ))
   (  segid "pupa" and resid 71   and name HG1%)
      3.200     1.300     1.300 peak   231 spectrum    2 weight  0.11000E+01 volume  0.17306E-02 ppm1      8.479 ppm2      0.795 CV     1
 ASSI {  233}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 64   and name HB1 ))
      3.000     1.100     1.100 peak   233 spectrum    2 weight  0.11000E+01 volume  0.36996E-02 ppm1      8.478 ppm2      2.609 CV     1
 OR {  233}
   (( segid "pupa" and resid 65   and name HN  ))
   (( segid "pupa" and resid 64   and name HB2 ))
 ASSI {  234}
   (( segid "pupa" and resid 4    and name HN  ))
   (( segid "pupa" and resid 46   and name HA  ))
      5.100     3.300     0.900 peak   234 spectrum    2 weight  0.11000E+01 volume  0.11350E-03 ppm1      8.285 ppm2      5.255 CV     1
 ASSI {  235}
   (( segid "pupa" and resid 4    and name HN  ))
   (( segid "pupa" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   235 spectrum    2 weight  0.11000E+01 volume  0.61502E-02 ppm1      8.286 ppm2      4.406 CV     1
 ASSI {  236}
   (( segid "pupa" and resid 4    and name HN  ))
   (( segid "pupa" and resid 4    and name HB1 ))
      3.300     1.400     1.400 peak   236 spectrum    2 weight  0.11000E+01 volume  0.78829E-03 ppm1      8.290 ppm2      3.150 CV     1
 ASSI {  237}
   (( segid "pupa" and resid 4    and name HN  ))
   (( segid "pupa" and resid 4    and name HB2 ))
      3.500     1.600     1.600 peak   237 spectrum    2 weight  0.11000E+01 volume  0.22192E-02 ppm1      8.286 ppm2      2.790 CV     1
 ASSI {  238}
   (( segid "pupa" and resid 4    and name HN  ))
   (( segid "pupa" and resid 3    and name HB1 ))
      2.700     0.900     0.900 peak   238 spectrum    2 weight  0.11000E+01 volume  0.35014E-02 ppm1      8.287 ppm2      1.504 CV     1
 OR {  238}
   (( segid "pupa" and resid 4    and name HN  ))
   (( segid "pupa" and resid 3    and name HB2 ))
 ASSI {  239}
   (( segid "pupa" and resid 4    and name HN  ))
   (( segid "pupa" and resid 4    and name HA  ))
      3.400     1.500     1.500 peak   239 spectrum    2 weight  0.11000E+01 volume  0.80878E-03 ppm1      8.283 ppm2      4.757 CV     1
 ASSI {  240}
   (( segid "pupa" and resid 48   and name HN  ))
   (( segid "pupa" and resid 47   and name HB2 ))
      3.300     1.300     1.300 peak   240 spectrum    2 weight  0.11000E+01 volume  0.22837E-02 ppm1      8.185 ppm2      3.502 CV     1
 ASSI {  241}
   (( segid "pupa" and resid 48   and name HN  ))
   (( segid "pupa" and resid 48   and name HB2 ))
      3.500     1.500     1.500 peak   241 spectrum    2 weight  0.11000E+01 volume  0.81996E-03 ppm1      8.187 ppm2      3.374 CV     1
 ASSI {  242}
   (( segid "pupa" and resid 48   and name HN  ))
   (( segid "pupa" and resid 48   and name HB1 ))
      2.900     1.100     1.100 peak   242 spectrum    2 weight  0.11000E+01 volume  0.22304E-02 ppm1      8.185 ppm2      2.743 CV     1
 ASSI {  243}
   (( segid "pupa" and resid 48   and name HN  ))
   (( segid "pupa" and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   243 spectrum    2 weight  0.11000E+01 volume  0.67877E-02 ppm1      8.184 ppm2      5.009 CV     1
 ASSI {  244}
   (( segid "pupa" and resid 48   and name HN  ))
   (( segid "pupa" and resid 48   and name HA  ))
      3.300     1.300     1.300 peak   244 spectrum    2 weight  0.11000E+01 volume  0.11140E-02 ppm1      8.184 ppm2      5.415 CV     1
 ASSI {  245}
   (( segid "pupa" and resid 48   and name HN  ))
   (( segid "pupa" and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak   245 spectrum    2 weight  0.11000E+01 volume  0.20481E-02 ppm1      8.183 ppm2      4.048 CV     1
 OR {  245}
   (( segid "pupa" and resid 48   and name HN  ))
   (( segid "pupa" and resid 51   and name HB2 ))
 ASSI {  246}
   (( segid "pupa" and resid 5    and name HN  ))
   (( segid "pupa" and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   246 spectrum    2 weight  0.11000E+01 volume  0.52979E-02 ppm1      8.773 ppm2      4.763 CV     1
 ASSI {  247}
   (( segid "pupa" and resid 5    and name HN  ))
   (( segid "pupa" and resid 5    and name HB  ))
      2.600     0.800     0.800 peak   247 spectrum    2 weight  0.11000E+01 volume  0.44479E-02 ppm1      8.773 ppm2      4.097 CV     1
 ASSI {  248}
   (( segid "pupa" and resid 5    and name HN  ))
   (( segid "pupa" and resid 4    and name HB2 ))
      3.500     1.500     1.500 peak   248 spectrum    2 weight  0.11000E+01 volume  0.26630E-02 ppm1      8.772 ppm2      3.147 CV     1
 ASSI {  249}
   (( segid "pupa" and resid 5    and name HN  ))
   (  segid "pupa" and resid 5    and name HG2%)
      4.400     2.500     1.600 peak   249 spectrum    2 weight  0.11000E+01 volume  0.73806E-03 ppm1      8.772 ppm2      1.119 CV     1
 ASSI {  250}
   (( segid "pupa" and resid 5    and name HN  ))
   (( segid "pupa" and resid 5    and name HA  ))
      3.000     1.200     1.200 peak   250 spectrum    2 weight  0.11000E+01 volume  0.14977E-02 ppm1      8.771 ppm2      4.401 CV     1
 ASSI {  251}
   (( segid "pupa" and resid 5    and name HN  ))
   (( segid "pupa" and resid 4    and name HB1 ))
      3.100     1.200     1.200 peak   251 spectrum    2 weight  0.11000E+01 volume  0.11931E-02 ppm1      8.771 ppm2      2.788 CV     1
 ASSI {  252}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak   252 spectrum    2 weight  0.11000E+01 volume  0.30690E-02 ppm1      8.141 ppm2      4.033 CV     1
 ASSI {  253}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 52   and name HA  ))
      4.100     2.100     1.900 peak   253 spectrum    2 weight  0.11000E+01 volume  0.34568E-03 ppm1      8.141 ppm2      3.742 CV     1
 ASSI {  254}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 55   and name HA  ))
      3.700     1.700     1.700 peak   254 spectrum    2 weight  0.11000E+01 volume  0.60297E-03 ppm1      8.140 ppm2      3.595 CV     1
 ASSI {  255}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 53   and name HA  ))
      3.500     1.500     1.500 peak   255 spectrum    2 weight  0.11000E+01 volume  0.95122E-03 ppm1      8.141 ppm2      3.469 CV     1
 ASSI {  256}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 56   and name HB2 ))
      2.200     0.600     0.600 peak   256 spectrum    2 weight  0.11000E+01 volume  0.76274E-02 ppm1      8.140 ppm2      1.739 CV     1
 ASSI {  257}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 55   and name HB  ))
      2.500     0.800     0.800 peak   257 spectrum    2 weight  0.11000E+01 volume  0.45294E-02 ppm1      8.140 ppm2      1.569 CV     1
 ASSI {  258}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 56   and name HB1 ))
      2.900     1.100     1.100 peak   258 spectrum    2 weight  0.11000E+01 volume  0.29930E-02 ppm1      8.140 ppm2      1.294 CV     1
 ASSI {  259}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 43   and name HB1 ))
      5.400     3.600     0.600 peak   259 spectrum    2 weight  0.11000E+01 volume  0.12481E-03 ppm1      8.138 ppm2      1.147 CV     1
 ASSI {  260}
   (( segid "pupa" and resid 56   and name HN  ))
   (( segid "pupa" and resid 55   and name HG11))
      6.000     6.000     0.000 peak   260 spectrum    2 weight  0.11000E+01 volume  0.38738E-04 ppm1      8.142 ppm2      0.901 CV     1
 ASSI {  261}
   (( segid "pupa" and resid 56   and name HN  ))
   (  segid "pupa" and resid 55   and name HG2%)
      3.000     3.000     3.000 peak   261 spectrum    2 weight  0.11000E+01 volume  0.39669E-02 ppm1      8.140 ppm2      0.735 CV     1
 ASSI {  262}
   (( segid "pupa" and resid 56   and name HN  ))
   (  segid "pupa" and resid 43   and name HD1%)
      3.600     3.600     2.400 peak   262 spectrum    2 weight  0.11000E+01 volume  0.95640E-03 ppm1      8.140 ppm2      0.572 CV     1
 ASSI {  263}
   (( segid "pupa" and resid 56   and name HN  ))
   (  segid "pupa" and resid 55   and name HD1%)
      3.300     3.300     2.700 peak   263 spectrum    2 weight  0.11000E+01 volume  0.45829E-03 ppm1      8.141 ppm2      0.444 CV     1
 ASSI {  264}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 40   and name HG  ))
      2.900     1.100     1.100 peak   264 spectrum    2 weight  0.11000E+01 volume  0.22568E-02 ppm1      8.033 ppm2      6.248 CV     1
 ASSI {  265}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 39   and name HA  ))
      4.700     2.800     1.300 peak   265 spectrum    2 weight  0.11000E+01 volume  0.21305E-03 ppm1      8.033 ppm2      4.837 CV     1
 ASSI {  266}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   266 spectrum    2 weight  0.11000E+01 volume  0.17707E-02 ppm1      8.031 ppm2      4.697 CV     1
 ASSI {  267}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 10   and name HA  ))
      2.300     0.700     0.700 peak   267 spectrum    2 weight  0.11000E+01 volume  0.80778E-02 ppm1      8.032 ppm2      3.886 CV     1
 ASSI {  268}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 9    and name HD2 ))
      4.800     2.900     1.200 peak   268 spectrum    2 weight  0.11000E+01 volume  0.26429E-03 ppm1      8.031 ppm2      3.571 CV     1
 ASSI {  269}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak   269 spectrum    2 weight  0.11000E+01 volume  0.34542E-02 ppm1      8.033 ppm2      2.369 CV     1
 OR {  269}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 11   and name HG1 ))
 ASSI {  270}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak   270 spectrum    2 weight  0.11000E+01 volume  0.11027E-02 ppm1      8.032 ppm2      2.144 CV     1
 OR {  270}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 11   and name HB1 ))
 ASSI {  271}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 39   and name HB1 ))
      5.000     3.200     1.000 peak   271 spectrum    2 weight  0.11000E+01 volume  0.21012E-03 ppm1      8.030 ppm2      1.580 CV     1
 ASSI {  272}
   (( segid "pupa" and resid 11   and name HN  ))
   (  segid "pupa" and resid 16   and name HB% )
      3.500     1.600     1.600 peak   272 spectrum    2 weight  0.11000E+01 volume  0.73875E-03 ppm1      8.030 ppm2      1.451 CV     1
 ASSI {  273}
   (( segid "pupa" and resid 11   and name HN  ))
   (  segid "pupa" and resid 10   and name HB% )
      3.400     1.500     1.500 peak   273 spectrum    2 weight  0.11000E+01 volume  0.20532E-02 ppm1      8.030 ppm2      1.335 CV     1
 ASSI {  274}
   (( segid "pupa" and resid 74   and name HN  ))
   (( segid "pupa" and resid 74   and name HB  ))
      3.900     1.900     1.900 peak   274 spectrum    2 weight  0.11000E+01 volume  0.63885E-03 ppm1      8.723 ppm2      4.129 CV     1
 ASSI {  275}
   (( segid "pupa" and resid 74   and name HN  ))
   (( segid "pupa" and resid 64   and name HA  ))
      3.700     1.700     1.700 peak   275 spectrum    2 weight  0.11000E+01 volume  0.75337E-03 ppm1      8.720 ppm2      5.903 CV     1
 ASSI {  276}
   (( segid "pupa" and resid 74   and name HN  ))
   (( segid "pupa" and resid 73   and name HA  ))
      2.200     0.600     0.600 peak   276 spectrum    2 weight  0.11000E+01 volume  0.91667E-02 ppm1      8.721 ppm2      5.080 CV     1
 ASSI {  277}
   (( segid "pupa" and resid 74   and name HN  ))
   (( segid "pupa" and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   277 spectrum    2 weight  0.11000E+01 volume  0.19552E-02 ppm1      8.721 ppm2      4.630 CV     1
 ASSI {  278}
   (( segid "pupa" and resid 74   and name HN  ))
   (  segid "pupa" and resid 74   and name HG2%)
      2.900     1.100     1.100 peak   278 spectrum    2 weight  0.11000E+01 volume  0.21736E-02 ppm1      8.721 ppm2      1.110 CV     1
 ASSI {  279}
   (( segid "pupa" and resid 74   and name HN  ))
   (  segid "pupa" and resid 73   and name HG1%)
      2.800     1.000     1.000 peak   279 spectrum    2 weight  0.11000E+01 volume  0.41836E-02 ppm1      8.720 ppm2      0.860 CV     1
 ASSI {  280}
   (( segid "pupa" and resid 52   and name HN  ))
   (( segid "pupa" and resid 52   and name HB1 ))
      2.700     0.900     0.900 peak   280 spectrum    2 weight  0.11000E+01 volume  0.29872E-02 ppm1      7.842 ppm2      3.430 CV     1
 ASSI {  281}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 34   and name HB2 ))
      4.600     2.600     1.400 peak   281 spectrum    2 weight  0.11000E+01 volume  0.15232E-03 ppm1      9.574 ppm2      2.982 CV     1
 ASSI {  282}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 30   and name HD2 ) )
      4.000     2.000     2.000 peak   282 spectrum    2 weight  0.11000E+01 volume  0.42419E-03 ppm1      9.572 ppm2      6.521 CV     1
 ASSI {  283}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 31   and name HA  ))
      3.300     1.400     1.400 peak   283 spectrum    2 weight  0.11000E+01 volume  0.91742E-03 ppm1      9.572 ppm2      5.089 CV     1
 ASSI {  284}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 30   and name HA  ))
      2.600     0.800     0.800 peak   284 spectrum    2 weight  0.11000E+01 volume  0.49540E-02 ppm1      9.572 ppm2      4.887 CV     1
 ASSI {  285}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 31   and name HB1 ))
      2.600     0.800     0.800 peak   285 spectrum    2 weight  0.11000E+01 volume  0.55216E-02 ppm1      9.571 ppm2      3.933 CV     1
 OR {  285}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 31   and name HB2 ))
 ASSI {  286}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 30   and name HB2 ))
      2.900     1.000     1.000 peak   286 spectrum    2 weight  0.11000E+01 volume  0.16712E-02 ppm1      9.572 ppm2      3.277 CV     1
 ASSI {  287}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 30   and name HB1 ))
      3.500     1.500     1.500 peak   287 spectrum    2 weight  0.11000E+01 volume  0.28918E-02 ppm1      9.572 ppm2      2.744 CV     1
 ASSI {  288}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 40   and name HG  ))
      4.100     2.100     1.900 peak   288 spectrum    2 weight  0.11000E+01 volume  0.21416E-03 ppm1      9.041 ppm2      6.246 CV     1
 ASSI {  289}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 39   and name HA  ))
      2.100     0.600     0.600 peak   289 spectrum    2 weight  0.11000E+01 volume  0.72382E-02 ppm1      9.041 ppm2      4.853 CV     1
 ASSI {  290}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 11   and name HA  ))
      4.500     2.600     1.500 peak   290 spectrum    2 weight  0.11000E+01 volume  0.22071E-03 ppm1      9.038 ppm2      4.697 CV     1
 ASSI {  291}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   291 spectrum    2 weight  0.11000E+01 volume  0.21513E-02 ppm1      9.040 ppm2      4.400 CV     1
 ASSI {  292}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 13   and name HA  ))
      4.200     2.200     1.800 peak   292 spectrum    2 weight  0.11000E+01 volume  0.29876E-03 ppm1      9.038 ppm2      4.269 CV     1
 ASSI {  293}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 40   and name HB2 ))
      4.000     2.000     2.000 peak   293 spectrum    2 weight  0.11000E+01 volume  0.99982E-03 ppm1      9.041 ppm2      4.004 CV     1
 ASSI {  294}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 10   and name HA  ))
      4.300     2.300     1.700 peak   294 spectrum    2 weight  0.11000E+01 volume  0.45868E-03 ppm1      9.043 ppm2      3.869 CV     1
 ASSI {  295}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 40   and name HB1 ))
      2.900     1.100     1.100 peak   295 spectrum    2 weight  0.11000E+01 volume  0.18778E-02 ppm1      9.040 ppm2      3.587 CV     1
 ASSI {  296}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 39   and name HB2 ))
      2.900     1.000     1.000 peak   296 spectrum    2 weight  0.11000E+01 volume  0.23521E-02 ppm1      9.041 ppm2      1.786 CV     1
 ASSI {  297}
   (( segid "pupa" and resid 40   and name HN  ))
   (( segid "pupa" and resid 39   and name HB1 ))
      3.700     1.700     1.700 peak   297 spectrum    2 weight  0.11000E+01 volume  0.20341E-02 ppm1      9.041 ppm2      1.572 CV     1
 ASSI {  298}
   (( segid "pupa" and resid 40   and name HN  ))
   (  segid "pupa" and resid 16   and name HB% )
      4.200     2.200     1.800 peak   298 spectrum    2 weight  0.11000E+01 volume  0.47828E-03 ppm1      9.038 ppm2      1.431 CV     1
 ASSI {  299}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 49   and name HA  ))
      3.500     1.500     1.500 peak   299 spectrum    2 weight  0.11000E+01 volume  0.11330E-02 ppm1      8.504 ppm2      4.072 CV     1
 ASSI {  300}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 50   and name HA  ))
      2.900     1.000     1.000 peak   300 spectrum    2 weight  0.11000E+01 volume  0.25162E-02 ppm1      8.504 ppm2      3.783 CV     1
 ASSI {  301}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 48   and name HB2 ))
      4.400     2.400     1.600 peak   301 spectrum    2 weight  0.11000E+01 volume  0.42409E-03 ppm1      8.505 ppm2      3.387 CV     1
 ASSI {  302}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 50   and name HG1 ))
      3.300     1.300     1.300 peak   302 spectrum    2 weight  0.11000E+01 volume  0.16739E-02 ppm1      8.505 ppm2      2.539 CV     1
 OR {  302}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 50   and name HG2 ))
 ASSI {  303}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   303 spectrum    2 weight  0.11000E+01 volume  0.63954E-02 ppm1      8.504 ppm2      2.200 CV     1
 OR {  303}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 50   and name HB1 ))
 ASSI {  304}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 49   and name HB1 ))
      2.600     0.800     0.800 peak   304 spectrum    2 weight  0.11000E+01 volume  0.37200E-02 ppm1      8.504 ppm2      1.900 CV     1
 OR {  304}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 49   and name HB2 ))
 ASSI {  305}
   (( segid "pupa" and resid 50   and name HN  ))
   (( segid "pupa" and resid 49   and name HG  ))
      4.500     2.600     1.500 peak   305 spectrum    2 weight  0.11000E+01 volume  0.36342E-03 ppm1      8.505 ppm2      1.588 CV     1
 ASSI {  306}
   (( segid "pupa" and resid 50   and name HN  ))
   (  segid "pupa" and resid 66   and name HD1%)
      3.800     1.800     1.800 peak   306 spectrum    2 weight  0.11000E+01 volume  0.70595E-03 ppm1      8.505 ppm2      0.971 CV     1
 ASSI {  307}
   (( segid "pupa" and resid 50   and name HN  ))
   (  segid "pupa" and resid 49   and name HD2%)
      5.000     3.100     1.000 peak   307 spectrum    2 weight  0.11000E+01 volume  0.34607E-03 ppm1      8.504 ppm2      0.835 CV     1
 ASSI {  308}
   (( segid "pupa" and resid 50   and name HN  ))
   (  segid "pupa" and resid 49   and name HD1%)
      5.900     4.400     0.100 peak   308 spectrum    2 weight  0.11000E+01 volume  0.16537E-03 ppm1      8.506 ppm2      0.711 CV     1
 ASSI {  309}
   (( segid "pupa" and resid 52   and name HN  ))
   (( segid "pupa" and resid 51   and name HB1 ))
      2.400     0.700     0.700 peak   309 spectrum    2 weight  0.11000E+01 volume  0.83283E-02 ppm1      7.845 ppm2      4.077 CV     1
 OR {  309}
   (( segid "pupa" and resid 52   and name HN  ))
   (( segid "pupa" and resid 51   and name HB2 ))
 ASSI {  310}
   (( segid "pupa" and resid 52   and name HN  ))
   (( segid "pupa" and resid 47   and name HB1 ))
      3.800     1.800     1.800 peak   310 spectrum    2 weight  0.11000E+01 volume  0.70532E-03 ppm1      7.846 ppm2      2.824 CV     1
 ASSI {  311}
   (( segid "pupa" and resid 52   and name HN  ))
   (  segid "pupa" and resid 6    and name HD1%)
      4.700     2.700     1.300 peak   311 spectrum    2 weight  0.11000E+01 volume  0.24328E-03 ppm1      7.845 ppm2      0.836 CV     1
 ASSI {  312}
   (( segid "pupa" and resid 52   and name HN  ))
   (  segid "pupa" and resid 49   and name HD1%)
      4.500     4.500     1.500 peak   312 spectrum    2 weight  0.11000E+01 volume  0.41489E-03 ppm1      7.844 ppm2      0.735 CV     1
 ASSI {  313}
   (( segid "pupa" and resid 52   and name HN  ))
   (( segid "pupa" and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   313 spectrum    2 weight  0.11000E+01 volume  0.21137E-02 ppm1      7.843 ppm2      3.733 CV     1
 ASSI {  314}
   (( segid "pupa" and resid 50   and name HN  ))
   (  segid "pupa" and resid 53   and name HD1%)
      5.000     5.000     1.000 peak   314 spectrum    2 weight  0.11000E+01 volume  0.18288E-03 ppm1      8.504 ppm2      0.342 CV     1
 ASSI {  315}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 31   and name HA  ))
      5.000     3.100     1.000 peak   315 spectrum    2 weight  0.11000E+01 volume  0.19779E-03 ppm1      8.658 ppm2      5.092 CV     1
 ASSI {  316}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak   316 spectrum    2 weight  0.11000E+01 volume  0.55865E-03 ppm1      8.657 ppm2      4.252 CV     1
 ASSI {  317}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 33   and name HA  ))
      2.900     1.100     1.100 peak   317 spectrum    2 weight  0.11000E+01 volume  0.25205E-02 ppm1      8.657 ppm2      4.102 CV     1
 ASSI {  318}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 32   and name HD2 ))
      2.600     0.900     0.900 peak   318 spectrum    2 weight  0.11000E+01 volume  0.28615E-02 ppm1      8.657 ppm2      3.966 CV     1
 ASSI {  319}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 33   and name HG1 ))
      3.400     1.500     1.500 peak   319 spectrum    2 weight  0.11000E+01 volume  0.13757E-02 ppm1      8.656 ppm2      2.325 CV     1
 OR {  319}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 33   and name HG2 ))
 ASSI {  320}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 32   and name HG2 ))
      3.800     1.800     1.800 peak   320 spectrum    2 weight  0.11000E+01 volume  0.57913E-03 ppm1      8.656 ppm2      2.174 CV     1
 ASSI {  321}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 33   and name HB1 ))
      2.400     0.700     0.700 peak   321 spectrum    2 weight  0.11000E+01 volume  0.78067E-02 ppm1      8.657 ppm2      2.010 CV     1
 OR {  321}
   (( segid "pupa" and resid 33   and name HN  ))
   (( segid "pupa" and resid 33   and name HB2 ))
 ASSI {  322}
   (( segid "pupa" and resid 68   and name HN  ))
   (( segid "pupa" and resid 68   and name HA2 ))
      2.800     1.000     1.000 peak   322 spectrum    2 weight  0.11000E+01 volume  0.24142E-02 ppm1      8.923 ppm2      4.031 CV     1
 ASSI {  323}
   (( segid "pupa" and resid 68   and name HN  ))
   (( segid "pupa" and resid 68   and name HA1 ))
      2.900     1.100     1.100 peak   323 spectrum    2 weight  0.11000E+01 volume  0.45217E-02 ppm1      8.922 ppm2      3.656 CV     1
 ASSI {  324}
   (( segid "pupa" and resid 68   and name HN  ))
   (  segid "pupa" and resid 66   and name HG2%)
      3.200     3.200     2.800 peak   324 spectrum    2 weight  0.11000E+01 volume  0.58965E-03 ppm1      8.925 ppm2      0.947 CV     1
 ASSI {  325}
   (( segid "pupa" and resid 76   and name HN  ))
   (( segid "pupa" and resid 75   and name HA  ))
      2.300     0.700     0.700 peak   325 spectrum    2 weight  0.11000E+01 volume  0.70720E-02 ppm1      8.237 ppm2      4.593 CV     1
 ASSI {  326}
   (( segid "pupa" and resid 76   and name HN  ))
   (( segid "pupa" and resid 76   and name HA  ))
      3.100     1.200     1.200 peak   326 spectrum    2 weight  0.11000E+01 volume  0.18797E-02 ppm1      8.238 ppm2      4.308 CV     1
 ASSI {  327}
   (( segid "pupa" and resid 76   and name HN  ))
   (( segid "pupa" and resid 77   and name HA  ))
      4.400     2.400     1.600 peak   327 spectrum    2 weight  0.11000E+01 volume  0.33240E-03 ppm1      8.238 ppm2      4.153 CV     1
 ASSI {  328}
   (( segid "pupa" and resid 76   and name HN  ))
   (( segid "pupa" and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak   328 spectrum    2 weight  0.11000E+01 volume  0.35926E-02 ppm1      8.238 ppm2      3.830 CV     1
 OR {  328}
   (( segid "pupa" and resid 76   and name HN  ))
   (( segid "pupa" and resid 76   and name HB1 ))
 ASSI {  329}
   (( segid "pupa" and resid 76   and name HN  ))
   (  segid "pupa" and resid 75   and name HB% )
      3.300     1.400     1.400 peak   329 spectrum    2 weight  0.11000E+01 volume  0.25648E-02 ppm1      8.238 ppm2      1.372 CV     1
 ASSI {  330}
   (( segid "pupa" and resid 76   and name HN  ))
   (  segid "pupa" and resid 74   and name HG2%)
      3.500     3.500     2.500 peak   330 spectrum    2 weight  0.11000E+01 volume  0.34249E-03 ppm1      8.239 ppm2      1.118 CV     1
 ASSI {  331}
   (( segid "pupa" and resid 76   and name HN  ))
   (  segid "pupa" and resid 62   and name HD2%)
      4.000     2.000     2.000 peak   331 spectrum    2 weight  0.11000E+01 volume  0.75661E-03 ppm1      8.237 ppm2      0.701 CV     1
 ASSI {  332}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 23   and name HG2 ))
      3.400     1.500     1.500 peak   332 spectrum    2 weight  0.11000E+01 volume  0.30223E-02 ppm1      8.092 ppm2      2.633 CV     1
 ASSI {  333}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 23   and name HB2 ))
      2.600     2.600     3.400 peak   333 spectrum    2 weight  0.11000E+01 volume  0.25460E-02 ppm1      8.091 ppm2      2.073 CV     1
 ASSI {  334}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak   334 spectrum    2 weight  0.11000E+01 volume  0.38282E-02 ppm1      8.092 ppm2      1.958 CV     1
 OR {  334}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 22   and name HB1 ))
 ASSI {  335}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   335 spectrum    2 weight  0.11000E+01 volume  0.41477E-02 ppm1      8.092 ppm2      4.054 CV     1
 ASSI {  336}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 20   and name HA  ))
      4.100     2.100     1.900 peak   336 spectrum    2 weight  0.11000E+01 volume  0.50152E-03 ppm1      8.091 ppm2      3.622 CV     1
 ASSI {  337}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 23   and name HG1 ))
      3.100     1.200     1.200 peak   337 spectrum    2 weight  0.11000E+01 volume  0.15908E-02 ppm1      8.091 ppm2      2.352 CV     1
 ASSI {  338}
   (( segid "pupa" and resid 23   and name HN  ))
   (( segid "pupa" and resid 23   and name HB1 ))
      3.000     1.200     1.200 peak   338 spectrum    2 weight  0.11000E+01 volume  0.67053E-02 ppm1      8.091 ppm2      1.689 CV     1
 ASSI {  339}
   (( segid "pupa" and resid 17   and name HN  ))
   (  segid "pupa" and resid 28   and name HD1%)
      4.000     4.000     2.000 peak   339 spectrum    2 weight  0.11000E+01 volume  0.13259E-02 ppm1      8.080 ppm2      0.718 CV     1
 ASSI {  340}
   (( segid "pupa" and resid 17   and name HN  ))
   (( segid "pupa" and resid 17   and name HB2 ))
      2.100     0.500     0.500 peak   340 spectrum    2 weight  0.11000E+01 volume  0.97758E-02 ppm1      8.079 ppm2      1.586 CV     1
 ASSI {  341}
   (( segid "pupa" and resid 17   and name HN  ))
   (  segid "pupa" and resid 17   and name HD2%)
      3.600     1.600     1.600 peak   341 spectrum    2 weight  0.11000E+01 volume  0.17574E-02 ppm1      8.078 ppm2      0.485 CV     1
 ASSI {  342}
   (( segid "pupa" and resid 17   and name HN  ))
   (( segid "pupa" and resid 13   and name HA  ))
      4.500     2.500     1.500 peak   342 spectrum    2 weight  0.11000E+01 volume  0.17044E-03 ppm1      8.076 ppm2      4.292 CV     1
 ASSI {  343}
   (( segid "pupa" and resid 17   and name HN  ))
   (( segid "pupa" and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   343 spectrum    2 weight  0.11000E+01 volume  0.28064E-02 ppm1      8.077 ppm2      3.786 CV     1
 ASSI {  344}
   (( segid "pupa" and resid 17   and name HN  ))
   (  segid "pupa" and resid 16   and name HB% )
      2.700     2.700     3.300 peak   344 spectrum    2 weight  0.11000E+01 volume  0.39639E-02 ppm1      8.077 ppm2      1.463 CV     1
 ASSI {  345}
   (( segid "pupa" and resid 17   and name HN  ))
   (( segid "pupa" and resid 17   and name HB1 ))
      3.800     1.800     1.800 peak   345 spectrum    2 weight  0.11000E+01 volume  0.21066E-02 ppm1      8.078 ppm2      0.990 CV     1
 ASSI {  346}
   (( segid "pupa" and resid 17   and name HN  ))
   (  segid "pupa" and resid 17   and name HD1%)
      3.900     1.900     1.900 peak   346 spectrum    2 weight  0.11000E+01 volume  0.14295E-02 ppm1      8.076 ppm2      0.034 CV     1
 ASSI {  347}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 50   and name HA  ))
      3.700     1.700     1.700 peak   347 spectrum    2 weight  0.11000E+01 volume  0.73700E-03 ppm1      8.754 ppm2      3.785 CV     1
 ASSI {  348}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 49   and name HB1 ))
      6.000     5.000     0.000 peak   348 spectrum    2 weight  0.11000E+01 volume  0.46537E-04 ppm1      8.756 ppm2      1.899 CV     1
 ASSI {  349}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 51   and name HB1 ))
      2.600     0.800     0.800 peak   349 spectrum    2 weight  0.11000E+01 volume  0.47525E-02 ppm1      8.753 ppm2      4.044 CV     1
 OR {  349}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 51   and name HB2 ))
 ASSI {  350}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 50   and name HG1 ))
      4.000     2.000     2.000 peak   350 spectrum    2 weight  0.11000E+01 volume  0.65147E-03 ppm1      8.753 ppm2      2.548 CV     1
 OR {  350}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 50   and name HG2 ))
 ASSI {  351}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 50   and name HB2 ))
      2.800     1.000     1.000 peak   351 spectrum    2 weight  0.11000E+01 volume  0.31801E-02 ppm1      8.752 ppm2      2.197 CV     1
 OR {  351}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 50   and name HB1 ))
 ASSI {  352}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 12   and name HB1 ))
      3.600     1.600     1.600 peak   352 spectrum    2 weight  0.11000E+01 volume  0.10386E-02 ppm1      8.676 ppm2      4.159 CV     1
 ASSI {  353}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 14   and name HA  ))
      2.900     1.100     1.100 peak   353 spectrum    2 weight  0.11000E+01 volume  0.25697E-02 ppm1      8.675 ppm2      3.992 CV     1
 ASSI {  354}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   354 spectrum    2 weight  0.11000E+01 volume  0.65535E-02 ppm1      8.675 ppm2      2.804 CV     1
 OR {  354}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 14   and name HB1 ))
 ASSI {  355}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 13   and name HG1 ))
      4.200     2.200     1.800 peak   355 spectrum    2 weight  0.11000E+01 volume  0.62386E-03 ppm1      8.675 ppm2      2.154 CV     1
 OR {  355}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 13   and name HG2 ))
 ASSI {  356}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 13   and name HB2 ))
      3.200     1.300     1.300 peak   356 spectrum    2 weight  0.11000E+01 volume  0.16374E-02 ppm1      8.675 ppm2      1.995 CV     1
 ASSI {  358}
   (( segid "pupa" and resid 14   and name HN  ))
   (( segid "pupa" and resid 13   and name HB1 ))
      3.500     1.500     1.500 peak   358 spectrum    2 weight  0.11000E+01 volume  0.75112E-03 ppm1      8.675 ppm2      1.616 CV     1
 ASSI {  359}
   (( segid "pupa" and resid 14   and name HN  ))
   (  segid "pupa" and resid 35   and name HD1%)
      3.200     1.300     1.300 peak   359 spectrum    2 weight  0.11000E+01 volume  0.11951E-02 ppm1      8.675 ppm2      0.542 CV     1
 ASSI {  360}
   (( segid "pupa" and resid 70   and name HN  ))
   (( segid "pupa" and resid 69   and name HB1 ))
      4.600     2.600     1.400 peak   360 spectrum    2 weight  0.11000E+01 volume  0.39689E-03 ppm1      7.981 ppm2      2.911 CV     1
 ASSI {  361}
   (( segid "pupa" and resid 70   and name HN  ))
   (( segid "pupa" and resid 70   and name HA  ))
      3.000     1.200     1.200 peak   361 spectrum    2 weight  0.11000E+01 volume  0.16565E-02 ppm1      7.977 ppm2      5.111 CV     1
 ASSI {  362}
   (( segid "pupa" and resid 70   and name HN  ))
   (( segid "pupa" and resid 69   and name HA  ))
      3.100     1.200     1.200 peak   362 spectrum    2 weight  0.11000E+01 volume  0.20110E-02 ppm1      7.976 ppm2      4.897 CV     1
 ASSI {  363}
   (( segid "pupa" and resid 70   and name HN  ))
   (( segid "pupa" and resid 70   and name HB  ))
      2.700     0.900     0.900 peak   363 spectrum    2 weight  0.11000E+01 volume  0.41541E-02 ppm1      7.975 ppm2      4.200 CV     1
 ASSI {  364}
   (( segid "pupa" and resid 70   and name HN  ))
   (( segid "pupa" and resid 68   and name HA2 ))
      4.100     2.100     1.900 peak   364 spectrum    2 weight  0.11000E+01 volume  0.83177E-03 ppm1      7.975 ppm2      4.038 CV     1
 ASSI {  365}
   (( segid "pupa" and resid 70   and name HN  ))
   (  segid "pupa" and resid 70   and name HG2%)
      3.900     1.900     1.900 peak   365 spectrum    2 weight  0.11000E+01 volume  0.87313E-03 ppm1      7.978 ppm2      1.160 CV     1
 ASSI {  366}
   (( segid "pupa" and resid 70   and name HN  ))
   (  segid "pupa" and resid 66   and name HD1%)
      4.200     4.200     1.800 peak   366 spectrum    2 weight  0.11000E+01 volume  0.50677E-03 ppm1      7.978 ppm2      0.961 CV     1
 ASSI {  367}
   (( segid "pupa" and resid 14   and name HN  ))
   (  segid "pupa" and resid 35   and name HG2%)
      4.700     4.700     1.300 peak   367 spectrum    2 weight  0.11000E+01 volume  0.40575E-03 ppm1      8.673 ppm2      0.676 CV     1
 ASSI {  368}
   (( segid "pupa" and resid 12   and name HN  ))
   (( segid "pupa" and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   368 spectrum    2 weight  0.11000E+01 volume  0.53080E-02 ppm1      8.582 ppm2      4.746 CV     1
 ASSI {  369}
   (( segid "pupa" and resid 12   and name HN  ))
   (( segid "pupa" and resid 12   and name HA  ))
      2.800     1.000     1.000 peak   369 spectrum    2 weight  0.11000E+01 volume  0.18009E-02 ppm1      8.581 ppm2      4.407 CV     1
 ASSI {  370}
   (( segid "pupa" and resid 12   and name HN  ))
   (( segid "pupa" and resid 12   and name HB1 ))
      2.700     0.900     0.900 peak   370 spectrum    2 weight  0.11000E+01 volume  0.40764E-02 ppm1      8.582 ppm2      4.166 CV     1
 OR {  370}
   (( segid "pupa" and resid 12   and name HN  ))
   (( segid "pupa" and resid 12   and name HB2 ))
 ASSI {  371}
   (( segid "pupa" and resid 12   and name HN  ))
   (( segid "pupa" and resid 11   and name HG2 ))
      3.800     1.800     1.800 peak   371 spectrum    2 weight  0.11000E+01 volume  0.16444E-02 ppm1      8.582 ppm2      2.363 CV     1
 OR {  371}
   (( segid "pupa" and resid 12   and name HN  ))
   (( segid "pupa" and resid 11   and name HG1 ))
 ASSI {  372}
   (( segid "pupa" and resid 12   and name HN  ))
   (( segid "pupa" and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   372 spectrum    2 weight  0.11000E+01 volume  0.64979E-02 ppm1      8.582 ppm2      2.164 CV     1
 OR {  372}
   (( segid "pupa" and resid 12   and name HN  ))
   (( segid "pupa" and resid 11   and name HB1 ))
 ASSI {  373}
   (( segid "pupa" and resid 59   and name HN  ))
   (( segid "pupa" and resid 59   and name HA2 ))
      3.100     1.200     1.200 peak   373 spectrum    2 weight  0.11000E+01 volume  0.20307E-02 ppm1      8.963 ppm2      4.239 CV     1
 ASSI {  374}
   (( segid "pupa" and resid 59   and name HN  ))
   (( segid "pupa" and resid 59   and name HA1 ))
      4.000     2.000     2.000 peak   374 spectrum    2 weight  0.11000E+01 volume  0.45629E-03 ppm1      8.960 ppm2      3.883 CV     1
 ASSI {  375}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 44   and name HA  ))
      2.200     0.600     0.600 peak   375 spectrum    2 weight  0.11000E+01 volume  0.83858E-02 ppm1      8.324 ppm2      5.026 CV     1
 ASSI {  376}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   376 spectrum    2 weight  0.11000E+01 volume  0.60454E-03 ppm1      8.324 ppm2      4.869 CV     1
 ASSI {  377}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 45   and name HA2 ))
      3.000     1.100     1.100 peak   377 spectrum    2 weight  0.11000E+01 volume  0.22253E-02 ppm1      8.325 ppm2      4.466 CV     1
 ASSI {  378}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 45   and name HA1 ))
      2.700     0.900     0.900 peak   378 spectrum    2 weight  0.11000E+01 volume  0.34423E-02 ppm1      8.324 ppm2      3.850 CV     1
 ASSI {  379}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 44   and name HB2 ))
      4.000     2.000     2.000 peak   379 spectrum    2 weight  0.11000E+01 volume  0.69851E-03 ppm1      8.323 ppm2      1.821 CV     1
 ASSI {  380}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 6    and name HB2 ))
      2.900     1.000     1.000 peak   380 spectrum    2 weight  0.11000E+01 volume  0.15238E-02 ppm1      8.323 ppm2      1.673 CV     1
 ASSI {  381}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 44   and name HG2 ))
      3.700     1.700     1.700 peak   381 spectrum    2 weight  0.11000E+01 volume  0.14420E-02 ppm1      8.325 ppm2      1.373 CV     1
 OR {  381}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 44   and name HG1 ))
 ASSI {  382}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 6    and name HB1 ))
      5.000     3.100     1.000 peak   382 spectrum    2 weight  0.11000E+01 volume  0.23365E-03 ppm1      8.327 ppm2      1.242 CV     1
 ASSI {  383}
   (( segid "pupa" and resid 45   and name HN  ))
   (( segid "pupa" and resid 43   and name HB1 ))
      3.600     3.600     2.400 peak   383 spectrum    2 weight  0.11000E+01 volume  0.31001E-03 ppm1      8.323 ppm2      1.113 CV     1
 ASSI {  384}
   (( segid "pupa" and resid 37   and name HN  ))
   (( segid "pupa" and resid 37   and name HA1 ))
      2.400     2.400     3.600 peak   384 spectrum    2 weight  0.11000E+01 volume  0.60777E-02 ppm1      8.633 ppm2      3.943 CV     1
 OR {  384}
   (( segid "pupa" and resid 37   and name HN  ))
   (( segid "pupa" and resid 37   and name HA2 ))
 ASSI {  385}
   (( segid "pupa" and resid 61   and name HN  ))
   (( segid "pupa" and resid 60   and name HG1 ))
      4.900     3.000     1.100 peak   385 spectrum    2 weight  0.11000E+01 volume  0.15867E-03 ppm1      8.631 ppm2      5.799 CV     1
 ASSI {  386}
   (( segid "pupa" and resid 61   and name HN  ))
   (( segid "pupa" and resid 60   and name HA  ))
      3.500     1.600     1.600 peak   386 spectrum    2 weight  0.11000E+01 volume  0.88768E-03 ppm1      8.630 ppm2      4.503 CV     1
 ASSI {  387}
   (( segid "pupa" and resid 61   and name HN  ))
   (( segid "pupa" and resid 60   and name HB  ))
      3.900     1.900     1.900 peak   387 spectrum    2 weight  0.11000E+01 volume  0.77042E-03 ppm1      8.631 ppm2      4.289 CV     1
 ASSI {  388}
   (( segid "pupa" and resid 61   and name HN  ))
   (( segid "pupa" and resid 61   and name HA2 ))
      2.800     1.000     1.000 peak   388 spectrum    2 weight  0.11000E+01 volume  0.22488E-02 ppm1      8.630 ppm2      4.141 CV     1
 ASSI {  389}
   (( segid "pupa" and resid 61   and name HN  ))
   (( segid "pupa" and resid 61   and name HA1 ))
      3.000     1.100     1.100 peak   389 spectrum    2 weight  0.11000E+01 volume  0.35885E-02 ppm1      8.631 ppm2      3.860 CV     1
 ASSI {  390}
   (( segid "pupa" and resid 61   and name HN  ))
   (  segid "pupa" and resid 60   and name HG2%)
      4.600     2.700     1.400 peak   390 spectrum    2 weight  0.11000E+01 volume  0.64572E-04 ppm1      8.631 ppm2      1.214 CV     1
 ASSI {  391}
   (( segid "pupa" and resid 60   and name HN  ))
   (( segid "pupa" and resid 60   and name HG1 ))
      2.500     0.800     0.800 peak   391 spectrum    2 weight  0.11000E+01 volume  0.46215E-02 ppm1      7.772 ppm2      5.786 CV     1
 ASSI {  392}
   (( segid "pupa" and resid 60   and name HN  ))
   (( segid "pupa" and resid 60   and name HA  ))
      3.100     1.200     1.200 peak   392 spectrum    2 weight  0.11000E+01 volume  0.18077E-02 ppm1      7.772 ppm2      4.500 CV     1
 ASSI {  393}
   (( segid "pupa" and resid 60   and name HN  ))
   (( segid "pupa" and resid 59   and name HA2 ))
      2.800     1.000     1.000 peak   393 spectrum    2 weight  0.11000E+01 volume  0.25227E-02 ppm1      7.773 ppm2      4.245 CV     1
 ASSI {  394}
   (( segid "pupa" and resid 60   and name HN  ))
   (( segid "pupa" and resid 59   and name HA1 ))
      3.800     1.800     1.800 peak   394 spectrum    2 weight  0.11000E+01 volume  0.88025E-03 ppm1      7.772 ppm2      3.879 CV     1
 ASSI {  395}
   (( segid "pupa" and resid 60   and name HN  ))
   (( segid "pupa" and resid 62   and name HG  ))
      5.500     3.800     0.500 peak   395 spectrum    2 weight  0.11000E+01 volume  0.15676E-03 ppm1      7.772 ppm2      1.548 CV     1
 ASSI {  396}
   (( segid "pupa" and resid 60   and name HN  ))
   (  segid "pupa" and resid 60   and name HG2%)
      2.700     2.700     3.300 peak   396 spectrum    2 weight  0.11000E+01 volume  0.40107E-02 ppm1      7.773 ppm2      1.199 CV     1
 ASSI {  397}
   (( segid "pupa" and resid 24   and name HN  ))
   (( segid "pupa" and resid 20   and name HA  ))
      5.300     5.300     0.700 peak   397 spectrum    2 weight  0.11000E+01 volume  0.13707E-03 ppm1      7.103 ppm2      3.612 CV     1
 ASSI {  398}
   (( segid "pupa" and resid 24   and name HN  ))
   (( segid "pupa" and resid 23   and name HB2 ))
      4.100     2.100     1.900 peak   398 spectrum    2 weight  0.11000E+01 volume  0.16306E-03 ppm1      7.102 ppm2      2.075 CV     1
 ASSI {  399}
   (( segid "pupa" and resid 24   and name HN  ))
   (( segid "pupa" and resid 24   and name HA  ))
      3.300     3.300     2.700 peak   399 spectrum    2 weight  0.11000E+01 volume  0.10250E-02 ppm1      7.100 ppm2      3.212 CV     1
 ASSI {  400}
   (( segid "pupa" and resid 24   and name HN  ))
   (( segid "pupa" and resid 24   and name HB  ))
      4.400     4.400     1.600 peak   400 spectrum    2 weight  0.11000E+01 volume  0.37349E-03 ppm1      7.096 ppm2      2.833 CV     1
 ASSI {  401}
   (( segid "pupa" and resid 24   and name HN  ))
   (( segid "pupa" and resid 23   and name HB1 ))
      4.000     4.000     2.000 peak   401 spectrum    2 weight  0.11000E+01 volume  0.42421E-03 ppm1      7.098 ppm2      1.689 CV     1
 ASSI {  402}
   (( segid "pupa" and resid 24   and name HN  ))
   (( segid "pupa" and resid 25   and name HA  ))
      6.000     6.000     0.000 peak   402 spectrum    2 weight  0.11000E+01 volume  0.18380E-03 ppm1      7.098 ppm2      4.333 CV     1
 ASSI {  403}
   (( segid "pupa" and resid 58   and name HN  ))
   (( segid "pupa" and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   403 spectrum    2 weight  0.11000E+01 volume  0.42912E-02 ppm1      7.386 ppm2      4.238 CV     1
 ASSI {  404}
   (( segid "pupa" and resid 58   and name HN  ))
   (( segid "pupa" and resid 55   and name HA  ))
      3.900     1.900     1.900 peak   404 spectrum    2 weight  0.11000E+01 volume  0.49569E-03 ppm1      7.386 ppm2      3.590 CV     1
 ASSI {  405}
   (( segid "pupa" and resid 58   and name HN  ))
   (( segid "pupa" and resid 58   and name HG2 ))
      3.900     1.900     1.900 peak   405 spectrum    2 weight  0.11000E+01 volume  0.14123E-02 ppm1      7.386 ppm2      2.603 CV     1
 ASSI {  406}
   (( segid "pupa" and resid 58   and name HN  ))
   (( segid "pupa" and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak   406 spectrum    2 weight  0.11000E+01 volume  0.43601E-02 ppm1      7.386 ppm2      2.376 CV     1
 ASSI {  407}
   (( segid "pupa" and resid 58   and name HN  ))
   (( segid "pupa" and resid 58   and name HB1 ))
      2.700     0.900     0.900 peak   407 spectrum    2 weight  0.11000E+01 volume  0.39589E-02 ppm1      7.385 ppm2      2.234 CV     1
 ASSI {  408}
   (( segid "pupa" and resid 58   and name HN  ))
   (( segid "pupa" and resid 57   and name HG  ))
      3.800     1.800     1.800 peak   408 spectrum    2 weight  0.11000E+01 volume  0.12886E-02 ppm1      7.385 ppm2      1.854 CV     1
 ASSI {  409}
   (( segid "pupa" and resid 58   and name HN  ))
   (( segid "pupa" and resid 57   and name HB1 ))
      4.300     2.300     1.700 peak   409 spectrum    2 weight  0.11000E+01 volume  0.31619E-03 ppm1      7.386 ppm2      1.542 CV     1
 ASSI {  410}
   (( segid "pupa" and resid 58   and name HN  ))
   (  segid "pupa" and resid 57   and name HD2%)
      4.500     2.500     1.500 peak   410 spectrum    2 weight  0.11000E+01 volume  0.54430E-03 ppm1      7.386 ppm2      0.713 CV     1
 ASSI {  411}
   (( segid "pupa" and resid 53   and name HN  ))
   (( segid "pupa" and resid 49   and name HA  ))
      3.900     1.900     1.900 peak   411 spectrum    2 weight  0.11000E+01 volume  0.22618E-02 ppm1      7.507 ppm2      4.078 CV     1
 ASSI {  412}
   (( segid "pupa" and resid 53   and name HN  ))
   (( segid "pupa" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   412 spectrum    2 weight  0.11000E+01 volume  0.30633E-02 ppm1      7.508 ppm2      3.962 CV     1
 ASSI {  413}
   (( segid "pupa" and resid 53   and name HN  ))
   (( segid "pupa" and resid 52   and name HA  ))
      3.300     1.400     1.400 peak   413 spectrum    2 weight  0.11000E+01 volume  0.13585E-02 ppm1      7.507 ppm2      3.754 CV     1
 ASSI {  414}
   (( segid "pupa" and resid 53   and name HN  ))
   (( segid "pupa" and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   414 spectrum    2 weight  0.11000E+01 volume  0.30955E-02 ppm1      7.507 ppm2      3.458 CV     1
 ASSI {  415}
   (( segid "pupa" and resid 53   and name HN  ))
   (( segid "pupa" and resid 53   and name HG  ))
      2.500     0.800     0.800 peak   415 spectrum    2 weight  0.11000E+01 volume  0.32334E-02 ppm1      7.507 ppm2      1.231 CV     1
 ASSI {  416}
   (( segid "pupa" and resid 53   and name HN  ))
   (( segid "pupa" and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   416 spectrum    2 weight  0.11000E+01 volume  0.50428E-02 ppm1      7.507 ppm2      1.000 CV     1
 ASSI {  417}
   (( segid "pupa" and resid 53   and name HN  ))
   (  segid "pupa" and resid 6    and name HD1%)
      3.300     3.300     2.700 peak   417 spectrum    2 weight  0.11000E+01 volume  0.48240E-03 ppm1      7.508 ppm2      0.842 CV     1
 ASSI {  418}
   (( segid "pupa" and resid 53   and name HN  ))
   (  segid "pupa" and resid 56   and name HD1%)
      3.900     3.900     2.100 peak   418 spectrum    2 weight  0.11000E+01 volume  0.82459E-03 ppm1      7.507 ppm2      0.724 CV     1
 ASSI {  419}
   (( segid "pupa" and resid 53   and name HN  ))
   (  segid "pupa" and resid 20   and name HD1%)
      4.200     4.200     1.800 peak   419 spectrum    2 weight  0.11000E+01 volume  0.42886E-03 ppm1      7.509 ppm2      0.522 CV     1
 ASSI {  420}
   (( segid "pupa" and resid 53   and name HN  ))
   (  segid "pupa" and resid 53   and name HD2%)
      3.400     1.500     1.500 peak   420 spectrum    2 weight  0.11000E+01 volume  0.24526E-02 ppm1      7.507 ppm2      0.348 CV     1
 ASSI {  421}
   (( segid "pupa" and resid 53   and name HN  ))
   (( segid "pupa" and resid 53   and name HB1 ))
      3.500     1.600     1.600 peak   421 spectrum    2 weight  0.11000E+01 volume  0.26815E-02 ppm1      7.507 ppm2      0.202 CV     1
 ASSI {  422}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 60   and name HG1 ))
      2.900     1.000     1.000 peak   422 spectrum    2 weight  0.11000E+01 volume  0.21541E-02 ppm1      7.642 ppm2      5.786 CV     1
 ASSI {  423}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   423 spectrum    2 weight  0.11000E+01 volume  0.19625E-02 ppm1      7.642 ppm2      4.595 CV     1
 ASSI {  424}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 60   and name HB  ))
      3.400     1.500     1.500 peak   424 spectrum    2 weight  0.11000E+01 volume  0.13529E-02 ppm1      7.641 ppm2      4.283 CV     1
 ASSI {  425}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 61   and name HA2 ))
      3.500     1.500     1.500 peak   425 spectrum    2 weight  0.11000E+01 volume  0.89680E-03 ppm1      7.641 ppm2      4.146 CV     1
 ASSI {  426}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 61   and name HA1 ))
      3.800     1.800     1.800 peak   426 spectrum    2 weight  0.11000E+01 volume  0.82552E-03 ppm1      7.641 ppm2      3.855 CV     1
 ASSI {  427}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 62   and name HB2 ))
      2.500     0.800     0.800 peak   427 spectrum    2 weight  0.11000E+01 volume  0.44290E-02 ppm1      7.641 ppm2      1.782 CV     1
 ASSI {  428}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 62   and name HG  ))
      2.500     0.800     0.800 peak   428 spectrum    2 weight  0.11000E+01 volume  0.47983E-02 ppm1      7.642 ppm2      1.558 CV     1
 ASSI {  429}
   (( segid "pupa" and resid 62   and name HN  ))
   (( segid "pupa" and resid 62   and name HB1 ))
      3.300     1.400     1.400 peak   429 spectrum    2 weight  0.11000E+01 volume  0.28280E-02 ppm1      7.641 ppm2      1.222 CV     1
 ASSI {  430}
   (( segid "pupa" and resid 62   and name HN  ))
   (  segid "pupa" and resid 62   and name HD2%)
      3.400     3.400     2.600 peak   430 spectrum    2 weight  0.11000E+01 volume  0.29910E-02 ppm1      7.641 ppm2      0.719 CV     1
 ASSI {  431}
   (( segid "pupa" and resid 25   and name HN  ))
   (( segid "pupa" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   431 spectrum    2 weight  0.11000E+01 volume  0.85514E-02 ppm1      7.418 ppm2      4.345 CV     1
 ASSI {  432}
   (( segid "pupa" and resid 25   and name HN  ))
   (( segid "pupa" and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   432 spectrum    2 weight  0.11000E+01 volume  0.16683E-02 ppm1      7.419 ppm2      3.176 CV     1
 ASSI {  433}
   (( segid "pupa" and resid 25   and name HN  ))
   (( segid "pupa" and resid 24   and name HB  ))
      4.600     2.700     1.400 peak   433 spectrum    2 weight  0.11000E+01 volume  0.27525E-03 ppm1      7.419 ppm2      2.828 CV     1
 ASSI {  434}
   (( segid "pupa" and resid 25   and name HN  ))
   (( segid "pupa" and resid 25   and name HB1 ))
      3.600     1.600     1.600 peak   434 spectrum    2 weight  0.11000E+01 volume  0.11862E-02 ppm1      7.418 ppm2      2.662 CV     1
 ASSI {  435}
   (( segid "pupa" and resid 3    and name HN  ))
   (( segid "pupa" and resid 2    and name HA  ))
      2.200     0.600     0.600 peak   435 spectrum    2 weight  0.11000E+01 volume  0.10677E-01 ppm1      7.389 ppm2      3.902 CV     1
 ASSI {  436}
   (( segid "pupa" and resid 3    and name HN  ))
   (( segid "pupa" and resid 3    and name HG2 ))
      4.400     2.400     1.600 peak   436 spectrum    2 weight  0.11000E+01 volume  0.71732E-03 ppm1      7.386 ppm2      2.070 CV     1
 ASSI {  437}
   (( segid "pupa" and resid 3    and name HN  ))
   (( segid "pupa" and resid 2    and name HG2 ))
      3.500     1.500     1.500 peak   437 spectrum    2 weight  0.11000E+01 volume  0.17920E-02 ppm1      7.389 ppm2      1.698 CV     1
 ASSI {  438}
   (( segid "pupa" and resid 3    and name HN  ))
   (( segid "pupa" and resid 3    and name HB2 ))
      2.400     0.700     0.700 peak   438 spectrum    2 weight  0.11000E+01 volume  0.51551E-02 ppm1      7.389 ppm2      1.505 CV     1
 ASSI {  439}
   (( segid "pupa" and resid 38   and name HN  ))
   (( segid "pupa" and resid 35   and name HB  ))
      4.100     2.100     1.900 peak   439 spectrum    2 weight  0.11000E+01 volume  0.21938E-03 ppm1      7.215 ppm2      1.982 CV     1
 ASSI {  440}
   (( segid "pupa" and resid 38   and name HN  ))
   (( segid "pupa" and resid 38   and name HB2 ))
      2.800     1.000     1.000 peak   440 spectrum    2 weight  0.11000E+01 volume  0.37698E-02 ppm1      7.214 ppm2      1.767 CV     1
 ASSI {  441}
   (( segid "pupa" and resid 38   and name HN  ))
   (( segid "pupa" and resid 38   and name HG  ))
      2.400     0.700     0.700 peak   441 spectrum    2 weight  0.11000E+01 volume  0.46278E-02 ppm1      7.214 ppm2      1.636 CV     1
 ASSI {  442}
   (( segid "pupa" and resid 38   and name HN  ))
   (  segid "pupa" and resid 38   and name HD2%)
      3.800     1.800     1.800 peak   442 spectrum    2 weight  0.11000E+01 volume  0.20113E-02 ppm1      7.213 ppm2      0.973 CV     1
 ASSI {  443}
   (( segid "pupa" and resid 38   and name HN  ))
   (( segid "pupa" and resid 38   and name HA  ))
      3.000     1.200     1.200 peak   443 spectrum    2 weight  0.11000E+01 volume  0.15964E-02 ppm1      7.213 ppm2      4.616 CV     1
 ASSI {  444}
   (( segid "pupa" and resid 38   and name HN  ))
   (( segid "pupa" and resid 37   and name HA1 ))
      2.900     1.100     1.100 peak   444 spectrum    2 weight  0.11000E+01 volume  0.22725E-02 ppm1      7.213 ppm2      3.978 CV     1
 OR {  444}
   (( segid "pupa" and resid 38   and name HN  ))
   (( segid "pupa" and resid 37   and name HA2 ))
 ASSI {  445}
   (( segid "pupa" and resid 38   and name HN  ))
   (( segid "pupa" and resid 35   and name HG11))
      3.500     1.500     1.500 peak   445 spectrum    2 weight  0.11000E+01 volume  0.18228E-02 ppm1      7.213 ppm2      1.272 CV     1
 ASSI {  446}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 51   and name HA  ))
      3.100     1.200     1.200 peak   446 spectrum    2 weight  0.11000E+01 volume  0.20789E-02 ppm1      7.563 ppm2      4.133 CV     1
 ASSI {  447}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 54   and name HA  ))
      2.600     0.800     0.800 peak   447 spectrum    2 weight  0.11000E+01 volume  0.53022E-02 ppm1      7.564 ppm2      3.887 CV     1
 ASSI {  448}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 52   and name HA  ))
      4.000     2.000     2.000 peak   448 spectrum    2 weight  0.11000E+01 volume  0.42075E-03 ppm1      7.564 ppm2      3.744 CV     1
 ASSI {  449}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   449 spectrum    2 weight  0.11000E+01 volume  0.63111E-03 ppm1      7.563 ppm2      3.477 CV     1
 ASSI {  450}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 54   and name HD2 ))
      5.000     3.100     1.000 peak   450 spectrum    2 weight  0.11000E+01 volume  0.37651E-03 ppm1      7.565 ppm2      3.276 CV     1
 OR {  450}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 54   and name HD1 ))
 ASSI {  451}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 54   and name HG1 ))
      3.600     1.600     1.600 peak   451 spectrum    2 weight  0.11000E+01 volume  0.16567E-02 ppm1      7.565 ppm2      1.659 CV     1
 ASSI {  452}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak   452 spectrum    2 weight  0.11000E+01 volume  0.25501E-02 ppm1      7.564 ppm2      0.997 CV     1
 ASSI {  453}
   (( segid "pupa" and resid 54   and name HN  ))
   (  segid "pupa" and resid 53   and name HD1%)
      3.200     3.200     2.800 peak   453 spectrum    2 weight  0.11000E+01 volume  0.62879E-03 ppm1      7.564 ppm2      0.353 CV     1
 ASSI {  454}
   (( segid "pupa" and resid 54   and name HN  ))
   (( segid "pupa" and resid 53   and name HB1 ))
      3.700     1.700     1.700 peak   454 spectrum    2 weight  0.11000E+01 volume  0.12603E-02 ppm1      7.565 ppm2      0.200 CV     1
 ASSI {  455}
   (( segid "pupa" and resid 34   and name HN  ))
   (( segid "pupa" and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   455 spectrum    2 weight  0.11000E+01 volume  0.22561E-02 ppm1      7.555 ppm2      4.581 CV     1
 ASSI {  456}
   (( segid "pupa" and resid 34   and name HN  ))
   (( segid "pupa" and resid 34   and name HB2 ))
      2.500     0.800     0.800 peak   456 spectrum    2 weight  0.11000E+01 volume  0.41628E-02 ppm1      7.555 ppm2      2.975 CV     1
 ASSI {  457}
   (( segid "pupa" and resid 34   and name HN  ))
   (( segid "pupa" and resid 34   and name HB1 ))
      3.300     1.400     1.400 peak   457 spectrum    2 weight  0.11000E+01 volume  0.19862E-02 ppm1      7.556 ppm2      2.566 CV     1
 ASSI {  458}
   (( segid "pupa" and resid 34   and name HN  ))
   (( segid "pupa" and resid 35   and name HG12))
      3.700     1.700     1.700 peak   458 spectrum    2 weight  0.11000E+01 volume  0.89068E-03 ppm1      7.558 ppm2      1.262 CV     1
 ASSI {  459}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 55   and name HA  ))
      2.900     1.100     1.100 peak   459 spectrum    2 weight  0.11000E+01 volume  0.19881E-02 ppm1      7.599 ppm2      3.592 CV     1
 ASSI {  460}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 55   and name HG12))
      2.700     0.900     0.900 peak   460 spectrum    2 weight  0.11000E+01 volume  0.69164E-02 ppm1      7.600 ppm2      1.674 CV     1
 ASSI {  461}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 55   and name HB  ))
      2.300     0.700     0.700 peak   461 spectrum    2 weight  0.11000E+01 volume  0.70695E-02 ppm1      7.600 ppm2      1.563 CV     1
 ASSI {  462}
   (( segid "pupa" and resid 55   and name HN  ))
   (  segid "pupa" and resid 55   and name HG2%)
      3.900     1.900     1.900 peak   462 spectrum    2 weight  0.11000E+01 volume  0.17891E-02 ppm1      7.600 ppm2      0.735 CV     1
 ASSI {  463}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 54   and name HA  ))
      3.400     1.500     1.500 peak   463 spectrum    2 weight  0.11000E+01 volume  0.12114E-02 ppm1      7.597 ppm2      3.882 CV     1
 ASSI {  464}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   464 spectrum    2 weight  0.11000E+01 volume  0.41825E-03 ppm1      7.599 ppm2      3.731 CV     1
 ASSI {  465}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 54   and name HB2 ))
      2.900     1.100     1.100 peak   465 spectrum    2 weight  0.11000E+01 volume  0.35461E-02 ppm1      7.596 ppm2      2.037 CV     1
 ASSI {  466}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 54   and name HB1 ))
      2.400     0.700     0.700 peak   466 spectrum    2 weight  0.11000E+01 volume  0.41947E-02 ppm1      7.599 ppm2      1.947 CV     1
 ASSI {  467}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 55   and name HG11))
      2.700     0.900     0.900 peak   467 spectrum    2 weight  0.11000E+01 volume  0.20088E-02 ppm1      7.598 ppm2      0.914 CV     1
 ASSI {  468}
   (( segid "pupa" and resid 55   and name HN  ))
   (  segid "pupa" and resid 43   and name HD1%)
      4.100     4.100     1.900 peak   468 spectrum    2 weight  0.11000E+01 volume  0.77186E-03 ppm1      7.600 ppm2      0.575 CV     1
 ASSI {  469}
   (( segid "pupa" and resid 55   and name HN  ))
   (  segid "pupa" and resid 55   and name HD1%)
      3.900     3.900     2.100 peak   469 spectrum    2 weight  0.11000E+01 volume  0.15282E-02 ppm1      7.598 ppm2      0.447 CV     1
 ASSI {  470}
   (( segid "pupa" and resid 55   and name HN  ))
   (( segid "pupa" and resid 51   and name HA  ))
      4.900     3.000     1.100 peak   470 spectrum    2 weight  0.11000E+01 volume  0.14597E-03 ppm1      7.597 ppm2      4.156 CV     1
 ASSI {  471}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   471 spectrum    2 weight  0.11000E+01 volume  0.14504E-02 ppm1      7.456 ppm2      4.167 CV     1
 ASSI {  472}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 18   and name HG2 ))
      3.500     1.500     1.500 peak   472 spectrum    2 weight  0.11000E+01 volume  0.21509E-02 ppm1      7.456 ppm2      2.642 CV     1
 ASSI {  473}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 18   and name HG1 ))
      3.700     1.700     1.700 peak   473 spectrum    2 weight  0.11000E+01 volume  0.17285E-02 ppm1      7.456 ppm2      2.475 CV     1
 ASSI {  474}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak   474 spectrum    2 weight  0.11000E+01 volume  0.59912E-02 ppm1      7.456 ppm2      2.087 CV     1
 OR {  474}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 18   and name HB1 ))
 ASSI {  475}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak   475 spectrum    2 weight  0.11000E+01 volume  0.35095E-02 ppm1      7.457 ppm2      1.597 CV     1
 ASSI {  476}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 17   and name HB1 ))
      3.700     1.800     1.800 peak   476 spectrum    2 weight  0.11000E+01 volume  0.10540E-02 ppm1      7.456 ppm2      0.990 CV     1
 ASSI {  477}
   (( segid "pupa" and resid 18   and name HN  ))
   (  segid "pupa" and resid 17   and name HD2%)
      5.900     4.300     0.100 peak   477 spectrum    2 weight  0.11000E+01 volume  0.16275E-03 ppm1      7.455 ppm2      0.493 CV     1
 ASSI {  478}
   (( segid "pupa" and resid 18   and name HN  ))
   (  segid "pupa" and resid 17   and name HD1%)
      4.100     2.100     1.900 peak   478 spectrum    2 weight  0.11000E+01 volume  0.12706E-03 ppm1      7.457 ppm2      0.037 CV     1
 ASSI {  479}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 18   and name HA  ))
      2.900     1.100     1.100 peak   479 spectrum    2 weight  0.11000E+01 volume  0.23573E-02 ppm1      7.456 ppm2      4.039 CV     1
 ASSI {  480}
   (( segid "pupa" and resid 18   and name HN  ))
   (( segid "pupa" and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   480 spectrum    2 weight  0.11000E+01 volume  0.79166E-03 ppm1      7.457 ppm2      3.795 CV     1
 ASSI {  481}
   (( segid "pupa" and resid 30   and name HN  ))
   (( segid "pupa" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   481 spectrum    2 weight  0.11000E+01 volume  0.10971E-01 ppm1      7.368 ppm2      4.621 CV     1
 ASSI {  482}
   (( segid "pupa" and resid 30   and name HN  ))
   (( segid "pupa" and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   482 spectrum    2 weight  0.11000E+01 volume  0.20029E-02 ppm1      7.369 ppm2      4.876 CV     1
 ASSI {  483}
   (( segid "pupa" and resid 30   and name HN  ))
   (( segid "pupa" and resid 30   and name HB2 ))
      4.300     2.300     1.700 peak   483 spectrum    2 weight  0.11000E+01 volume  0.48187E-03 ppm1      7.369 ppm2      3.273 CV     1
 ASSI {  484}
   (( segid "pupa" and resid 30   and name HN  ))
   (( segid "pupa" and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak   484 spectrum    2 weight  0.11000E+01 volume  0.38575E-03 ppm1      7.369 ppm2      2.741 CV     1
 ASSI {  485}
   (( segid "pupa" and resid 30   and name HN  ))
   (( segid "pupa" and resid 29   and name HB2 ))
      5.100     3.300     0.900 peak   485 spectrum    2 weight  0.11000E+01 volume  0.30070E-03 ppm1      7.367 ppm2      1.889 CV     1
 ASSI {  486}
   (( segid "pupa" and resid 30   and name HN  ))
   (( segid "pupa" and resid 29   and name HB1 ))
      3.400     1.400     1.400 peak   486 spectrum    2 weight  0.11000E+01 volume  0.20674E-02 ppm1      7.368 ppm2      1.469 CV     1
 ASSI {  487}
   (( segid "pupa" and resid 30   and name HN  ))
   (  segid "pupa" and resid 29   and name HD1%)
      3.500     1.600     1.600 peak   487 spectrum    2 weight  0.11000E+01 volume  0.14753E-02 ppm1      7.369 ppm2      0.793 CV     1
 ASSI {  488}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 19   and name HA  ))
      3.400     1.400     1.400 peak   488 spectrum    2 weight  0.11000E+01 volume  0.93429E-03 ppm1      7.630 ppm2      4.201 CV     1
 ASSI {  489}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 22   and name HA  ))
      2.800     0.900     0.900 peak   489 spectrum    2 weight  0.11000E+01 volume  0.33538E-02 ppm1      7.629 ppm2      4.089 CV     1
 ASSI {  490}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 21   and name HA  ))
      4.200     2.200     1.800 peak   490 spectrum    2 weight  0.11000E+01 volume  0.52124E-03 ppm1      7.630 ppm2      3.892 CV     1
 ASSI {  491}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 22   and name HB1 ))
      2.200     0.600     0.600 peak   491 spectrum    2 weight  0.11000E+01 volume  0.92023E-02 ppm1      7.628 ppm2      1.967 CV     1
 OR {  491}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 22   and name HB2 ))
 ASSI {  492}
   (( segid "pupa" and resid 22   and name HN  ))
   (  segid "pupa" and resid 21   and name HB% )
      2.500     0.800     0.800 peak   492 spectrum    2 weight  0.11000E+01 volume  0.54034E-02 ppm1      7.628 ppm2      1.538 CV     1
 ASSI {  493}
   (( segid "pupa" and resid 22   and name HN  ))
   (( segid "pupa" and resid 22   and name HD2 ))
      4.600     4.600     1.400 peak   493 spectrum    2 weight  0.11000E+01 volume  0.41944E-03 ppm1      7.627 ppm2      1.681 CV     1
 ASSI {  494}
   (( segid "pupa" and resid 14   and name HD22))
   (( segid "pupa" and resid 14   and name HB1 ))
      4.700     2.800     1.300 peak   494 spectrum    2 weight  0.11000E+01 volume  0.45566E-03 ppm1      6.949 ppm2      2.770 CV     1
 ASSI {  495}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 64   and name HA  ))
      3.100     1.200     1.200 peak   495 spectrum    2 weight  0.11000E+01 volume  0.14842E-02 ppm1      7.619 ppm2      5.905 CV     1
 ASSI {  496}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 63   and name HD2 ))
      4.200     2.200     1.800 peak   496 spectrum    2 weight  0.11000E+01 volume  0.11418E-03 ppm1      7.622 ppm2      3.074 CV     1
 ASSI {  497}
   (( segid "pupa" and resid 14   and name HD21))
   (( segid "pupa" and resid 14   and name HB1 ))
      3.400     1.400     1.400 peak   497 spectrum    2 weight  0.11000E+01 volume  0.87675E-03 ppm1      7.627 ppm2      2.772 CV     1
 ASSI {  498}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 64   and name HB2 ))
      3.400     1.400     1.400 peak   498 spectrum    2 weight  0.11000E+01 volume  0.12860E-02 ppm1      7.622 ppm2      2.604 CV     1
 OR {  498}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 64   and name HB1 ))
 ASSI {  499}
   (( segid "pupa" and resid 64   and name HN  ))
   (  segid "pupa" and resid 57   and name HD1%)
      4.200     2.200     1.800 peak   499 spectrum    2 weight  0.11000E+01 volume  0.46151E-03 ppm1      7.620 ppm2      0.692 CV     1
 ASSI {  500}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 63   and name HA  ))
      2.300     0.600     0.600 peak   500 spectrum    2 weight  0.11000E+01 volume  0.73063E-02 ppm1      7.617 ppm2      4.614 CV     1
 ASSI {  501}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 63   and name HB1 ))
      2.900     1.100     1.100 peak   501 spectrum    2 weight  0.11000E+01 volume  0.48224E-02 ppm1      7.618 ppm2      1.688 CV     1
 OR {  501}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 63   and name HB2 ))
 ASSI {  502}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 63   and name HG2 ))
      3.700     1.700     1.700 peak   502 spectrum    2 weight  0.11000E+01 volume  0.12029E-02 ppm1      7.615 ppm2      1.489 CV     1
 OR {  502}
   (( segid "pupa" and resid 64   and name HN  ))
   (( segid "pupa" and resid 63   and name HG1 ))
 ASSI {  503}
   (( segid "pupa" and resid 41   and name HN  ))
   (( segid "pupa" and resid 40   and name HB1 ))
      4.400     2.400     1.600 peak   503 spectrum    2 weight  0.11000E+01 volume  0.14835E-02 ppm1      7.346 ppm2      3.585 CV     1
 ASSI {  504}
   (( segid "pupa" and resid 41   and name HN  ))
   (  segid "pupa" and resid 56   and name HD1%)
      3.900     3.900     2.100 peak   504 spectrum    2 weight  0.11000E+01 volume  0.80997E-03 ppm1      7.345 ppm2      0.736 CV     1
 ASSI {  505}
   (( segid "pupa" and resid 41   and name HN  ))
   (( segid "pupa" and resid 41   and name HA  ))
      3.100     1.200     1.200 peak   505 spectrum    2 weight  0.11000E+01 volume  0.14410E-02 ppm1      7.341 ppm2      4.690 CV     1
 ASSI {  506}
   (( segid "pupa" and resid 41   and name HN  ))
   (( segid "pupa" and resid 40   and name HB2 ))
      2.100     0.600     0.600 peak   506 spectrum    2 weight  0.11000E+01 volume  0.81334E-02 ppm1      7.342 ppm2      4.032 CV     1
 ASSI {  507}
   (( segid "pupa" and resid 41   and name HN  ))
   (( segid "pupa" and resid 41   and name HB1 ))
      3.300     1.400     1.400 peak   507 spectrum    2 weight  0.11000E+01 volume  0.13344E-02 ppm1      7.343 ppm2      3.843 CV     1
 ASSI {  508}
   (( segid "pupa" and resid 41   and name HN  ))
   (( segid "pupa" and resid 40   and name HA  ))
      2.500     0.800     0.800 peak   508 spectrum    2 weight  0.11000E+01 volume  0.54778E-02 ppm1      7.341 ppm2      4.391 CV     1
 ASSI {  509}
   (( segid "pupa" and resid 15   and name HN  ))
   (( segid "pupa" and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   509 spectrum    2 weight  0.11000E+01 volume  0.36810E-02 ppm1      7.280 ppm2      4.165 CV     1
 ASSI {  510}
   (( segid "pupa" and resid 15   and name HN  ))
   (( segid "pupa" and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak   510 spectrum    2 weight  0.11000E+01 volume  0.28275E-02 ppm1      7.281 ppm2      4.017 CV     1
 ASSI {  511}
   (( segid "pupa" and resid 15   and name HN  ))
   (( segid "pupa" and resid 15   and name HB1 ))
      3.200     1.300     1.300 peak   511 spectrum    2 weight  0.11000E+01 volume  0.22770E-02 ppm1      7.280 ppm2      3.851 CV     1
 ASSI {  512}
   (( segid "pupa" and resid 15   and name HN  ))
   (( segid "pupa" and resid 14   and name HB1 ))
      2.800     1.000     1.000 peak   512 spectrum    2 weight  0.11000E+01 volume  0.32080E-02 ppm1      7.281 ppm2      2.783 CV     1
 ASSI {  514}
   (( segid "pupa" and resid 15   and name HN  ))
   (  segid "pupa" and resid 16   and name HB% )
      4.900     3.000     1.100 peak   514 spectrum    2 weight  0.11000E+01 volume  0.52243E-03 ppm1      7.284 ppm2      1.458 CV     1
 ASSI {  515}
   (( segid "pupa" and resid 65   and name HE21))
   (( segid "pupa" and resid 65   and name HG1 ))
      3.700     3.700     2.300 peak   515 spectrum    2 weight  0.11000E+01 volume  0.50169E-03 ppm1      7.634 ppm2      2.227 CV     1
 OR {  515}
   (( segid "pupa" and resid 65   and name HE21))
   (( segid "pupa" and resid 65   and name HG2 ))
 ASSI {  516}
   (( segid "pupa" and resid 69   and name HD21))
   (( segid "pupa" and resid 69   and name HB1 ))
      3.400     1.400     1.400 peak   516 spectrum    2 weight  0.11000E+01 volume  0.83552E-03 ppm1      7.539 ppm2      2.907 CV     1
 ASSI {  517}
   (( segid "pupa" and resid 69   and name HD22))
   (( segid "pupa" and resid 69   and name HB1 ))
      5.300     3.600     0.700 peak   517 spectrum    2 weight  0.11000E+01 volume  0.22239E-03 ppm1      6.951 ppm2      2.913 CV     1
 ASSI {  518}
   (( segid "pupa" and resid 50   and name HE21))
   (( segid "pupa" and resid 50   and name HG2 ))
      4.000     2.000     2.000 peak   518 spectrum    2 weight  0.11000E+01 volume  0.33971E-03 ppm1      7.607 ppm2      2.544 CV     1
 OR {  518}
   (( segid "pupa" and resid 50   and name HE21))
   (( segid "pupa" and resid 50   and name HG1 ))
 ASSI {  519}
   (( segid "pupa" and resid 18   and name HE22))
   (( segid "pupa" and resid 18   and name HG2 ))
      6.000     6.000     0.000 peak   519 spectrum    2 weight  0.11000E+01 volume  0.19316E-04 ppm1      7.235 ppm2      2.637 CV     1
 ASSI {  520}
   (( segid "pupa" and resid 18   and name HE22))
   (( segid "pupa" and resid 18   and name HG1 ))
      4.900     3.000     1.100 peak   520 spectrum    2 weight  0.11000E+01 volume  0.37114E-03 ppm1      7.235 ppm2      2.480 CV     1
 ASSI {  521}
   (( segid "pupa" and resid 2    and name HE21))
   (( segid "pupa" and resid 2    and name HG2 ))
      4.500     2.600     1.500 peak   521 spectrum    2 weight  0.11000E+01 volume  0.11762E-03 ppm1      7.078 ppm2      1.678 CV     1
 ASSI {  522}
   (( segid "pupa" and resid 2    and name HE21))
   (( segid "pupa" and resid 2    and name HG1 ))
      4.500     2.600     1.500 peak   522 spectrum    2 weight  0.11000E+01 volume  0.20251E-03 ppm1      7.078 ppm2      1.603 CV     1
 ASSI {  523}
   (( segid "pupa" and resid 58   and name HE21))
   (  segid "pupa" and resid 55   and name HG2%)
      5.800     4.100     0.200 peak   523 spectrum    2 weight  0.11000E+01 volume  0.59786E-04 ppm1      7.497 ppm2      0.735 CV     1
 ASSI {  524}
   (( segid "pupa" and resid 50   and name HE22))
   (( segid "pupa" and resid 50   and name HG2 ))
      6.000     6.000     0.000 peak   524 spectrum    2 weight  0.11000E+01 volume  0.37560E-04 ppm1      6.918 ppm2      2.545 CV     1
 OR {  524}
   (( segid "pupa" and resid 50   and name HE22))
   (( segid "pupa" and resid 50   and name HG1 ))
 ASSI {  525}
   (( segid "pupa" and resid 58   and name HE22))
   (( segid "pupa" and resid 58   and name HG2 ))
      6.000     4.900     0.000 peak   525 spectrum    2 weight  0.11000E+01 volume  0.76892E-04 ppm1      6.836 ppm2      2.630 CV     1
 ASSI {  526}
   (( segid "pupa" and resid 58   and name HE22))
   (  segid "pupa" and resid 55   and name HG2%)
      4.800     2.800     1.200 peak   526 spectrum    2 weight  0.11000E+01 volume  0.14734E-03 ppm1      6.833 ppm2      0.740 CV     1
 ASSI {  527}
   (( segid "pupa" and resid 11   and name HE21))
   (( segid "pupa" and resid 9    and name HD2 ))
      4.200     2.200     1.800 peak   527 spectrum    2 weight  0.11000E+01 volume  0.10247E-02 ppm1      7.679 ppm2      3.563 CV     1
 OR {  527}
   (( segid "pupa" and resid 11   and name HE21))
   (( segid "pupa" and resid 9    and name HD1 ))
 ASSI {  528}
   (( segid "pupa" and resid 11   and name HE21))
   (( segid "pupa" and resid 11   and name HG2 ))
      2.600     0.900     0.900 peak   528 spectrum    2 weight  0.11000E+01 volume  0.27336E-02 ppm1      7.680 ppm2      2.368 CV     1
 OR {  528}
   (( segid "pupa" and resid 11   and name HE21))
   (( segid "pupa" and resid 11   and name HG1 ))
 ASSI {  529}
   (( segid "pupa" and resid 11   and name HE21))
   (( segid "pupa" and resid 11   and name HB1 ))
      4.900     3.000     1.100 peak   529 spectrum    2 weight  0.11000E+01 volume  0.21669E-03 ppm1      7.677 ppm2      2.120 CV     1
 ASSI {  530}
   (( segid "pupa" and resid 58   and name HE21))
   (( segid "pupa" and resid 58   and name HG2 ))
      3.900     1.900     1.900 peak   530 spectrum    2 weight  0.11000E+01 volume  0.36226E-03 ppm1      7.495 ppm2      2.604 CV     1
 ASSI {  531}
   (( segid "pupa" and resid 11   and name HE22))
   (( segid "pupa" and resid 9    and name HD2 ))
      4.400     2.400     1.600 peak   531 spectrum    2 weight  0.11000E+01 volume  0.14944E-02 ppm1      7.122 ppm2      3.558 CV     1
 OR {  531}
   (( segid "pupa" and resid 11   and name HE22))
   (( segid "pupa" and resid 9    and name HD1 ))
 ASSI {  532}
   (( segid "pupa" and resid 11   and name HE22))
   (( segid "pupa" and resid 9    and name HB1 ))
      4.800     2.900     1.200 peak   532 spectrum    2 weight  0.11000E+01 volume  0.36441E-03 ppm1      7.122 ppm2      1.823 CV     1
 ASSI {  533}
   (( segid "pupa" and resid 11   and name HE22))
   (( segid "pupa" and resid 11   and name HG2 ))
      4.000     2.000     2.000 peak   533 spectrum    2 weight  0.11000E+01 volume  0.11399E-02 ppm1      7.120 ppm2      2.362 CV     1
 OR {  533}
   (( segid "pupa" and resid 11   and name HE22))
   (( segid "pupa" and resid 11   and name HG1 ))
 ASSI {  534}
   (( segid "pupa" and resid 57   and name HN  ))
   (( segid "pupa" and resid 54   and name HA  ))
      4.900     2.900     1.100 peak   534 spectrum    2 weight  0.11000E+01 volume  0.11293E-03 ppm1      7.696 ppm2      3.876 CV     1
 ASSI {  535}
   (( segid "pupa" and resid 26   and name HN  ))
   (( segid "pupa" and resid 24   and name HB  ))
      5.700     4.000     0.300 peak   535 spectrum    2 weight  0.11000E+01 volume  0.72244E-04 ppm1      7.621 ppm2      2.829 CV     1
 ASSI {  536}
   (( segid "pupa" and resid 26   and name HN  ))
   (  segid "pupa" and resid 26   and name HG2%)
      3.200     1.300     1.300 peak   536 spectrum    2 weight  0.11000E+01 volume  0.17368E-02 ppm1      7.619 ppm2      0.962 CV     1
 ASSI {  537}
   (( segid "pupa" and resid 26   and name HN  ))
   (  segid "pupa" and resid 28   and name HD1%)
      6.000     6.000     0.000 peak   537 spectrum    2 weight  0.11000E+01 volume  0.47542E-04 ppm1      7.624 ppm2      0.812 CV     1
 ASSI {  538}
   (( segid "pupa" and resid 26   and name HN  ))
   (( segid "pupa" and resid 25   and name HA  ))
      2.800     1.000     1.000 peak   538 spectrum    2 weight  0.11000E+01 volume  0.29567E-02 ppm1      7.615 ppm2      4.361 CV     1
 ASSI {  539}
   (( segid "pupa" and resid 26   and name HN  ))
   (( segid "pupa" and resid 26   and name HB  ))
      3.100     1.200     1.200 peak   539 spectrum    2 weight  0.11000E+01 volume  0.25632E-02 ppm1      7.617 ppm2      3.612 CV     1
 ASSI {  540}
   (( segid "pupa" and resid 57   and name HN  ))
   (( segid "pupa" and resid 53   and name HA  ))
      4.100     2.100     1.900 peak   540 spectrum    2 weight  0.11000E+01 volume  0.33298E-03 ppm1      7.699 ppm2      3.477 CV     1
 ASSI {  541}
   (( segid "pupa" and resid 57   and name HN  ))
   (( segid "pupa" and resid 57   and name HA  ))
      3.000     1.100     1.100 peak   541 spectrum    2 weight  0.11000E+01 volume  0.19267E-02 ppm1      7.696 ppm2      4.205 CV     1
 ASSI {  542}
   (( segid "pupa" and resid 57   and name HN  ))
   (( segid "pupa" and resid 56   and name HA  ))
      3.600     1.600     1.600 peak   542 spectrum    2 weight  0.11000E+01 volume  0.93048E-03 ppm1      7.696 ppm2      4.035 CV     1
 ASSI {  543}
   (( segid "pupa" and resid 57   and name HN  ))
   (( segid "pupa" and resid 57   and name HB2 ))
      2.000     0.500     0.500 peak   543 spectrum    2 weight  0.11000E+01 volume  0.10531E-01 ppm1      7.696 ppm2      1.843 CV     1
 ASSI {  544}
   (( segid "pupa" and resid 57   and name HN  ))
   (( segid "pupa" and resid 57   and name HB1 ))
      3.400     1.500     1.500 peak   544 spectrum    2 weight  0.11000E+01 volume  0.26173E-02 ppm1      7.696 ppm2      1.554 CV     1
 ASSI {  545}
   (( segid "pupa" and resid 57   and name HN  ))
   (( segid "pupa" and resid 56   and name HB1 ))
      2.700     0.900     0.900 peak   545 spectrum    2 weight  0.11000E+01 volume  0.19102E-02 ppm1      7.694 ppm2      1.293 CV     1
 ASSI {  546}
   (( segid "pupa" and resid 57   and name HN  ))
   (  segid "pupa" and resid 57   and name HD2%)
      3.200     1.300     1.300 peak   546 spectrum    2 weight  0.11000E+01 volume  0.28645E-02 ppm1      7.695 ppm2      0.697 CV     1
 ASSI {  547}
   (( segid "pupa" and resid 26   and name HN  ))
   (( segid "pupa" and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   547 spectrum    2 weight  0.11000E+01 volume  0.34134E-02 ppm1      7.619 ppm2      4.496 CV     1
 ASSI {  548}
   (( segid "pupa" and resid 26   and name HN  ))
   (  segid "pupa" and resid 21   and name HB% )
      4.100     2.100     1.900 peak   548 spectrum    2 weight  0.11000E+01 volume  0.65722E-03 ppm1      7.617 ppm2      1.548 CV     1
 ASSI {  549}
   (( segid "pupa" and resid 36   and name HN  ))
   (  segid "pupa" and resid 35   and name HG2%)
      4.600     2.600     1.400 peak   549 spectrum    2 weight  0.11000E+01 volume  0.76011E-03 ppm1      7.623 ppm2      0.682 CV     1
 ASSI {  550}
   (( segid "pupa" and resid 36   and name HN  ))
   (  segid "pupa" and resid 35   and name HD1%)
      5.300     3.600     0.700 peak   550 spectrum    2 weight  0.11000E+01 volume  0.38966E-03 ppm1      7.623 ppm2      0.536 CV     1
 ASSI {  551}
   (( segid "pupa" and resid 36   and name HN  ))
   (( segid "pupa" and resid 36   and name HA2 ))
      2.100     0.500     0.500 peak   551 spectrum    2 weight  0.11000E+01 volume  0.13768E-01 ppm1      7.624 ppm2      3.924 CV     1
 OR {  551}
   (( segid "pupa" and resid 36   and name HN  ))
   (( segid "pupa" and resid 36   and name HA1 ))
 ASSI {  552}
   (( segid "pupa" and resid 36   and name HN  ))
   (( segid "pupa" and resid 35   and name HB  ))
      4.100     2.100     1.900 peak   552 spectrum    2 weight  0.11000E+01 volume  0.65247E-03 ppm1      7.623 ppm2      1.965 CV     1
 ASSI {  553}
   (( segid "pupa" and resid 36   and name HN  ))
   (( segid "pupa" and resid 35   and name HG11))
      2.800     1.000     1.000 peak   553 spectrum    2 weight  0.11000E+01 volume  0.16455E-02 ppm1      7.622 ppm2      1.261 CV     1
 OR {  553}
   (( segid "pupa" and resid 36   and name HN  ))
   (( segid "pupa" and resid 35   and name HG12))
 ASSI {  554}
   (( segid "pupa" and resid 23   and name HE21))
   (( segid "pupa" and resid 8    and name HG11))
      5.800     4.200     0.200 peak   554 spectrum    2 weight  0.11000E+01 volume  0.11448E-03 ppm1      7.133 ppm2      0.927 CV     1
 ASSI {  555}
   (( segid "pupa" and resid 23   and name HE21))
   (( segid "pupa" and resid 23   and name HG2 ))
      3.000     1.100     1.100 peak   555 spectrum    2 weight  0.11000E+01 volume  0.12703E-02 ppm1      7.127 ppm2      2.633 CV     1
 ASSI {  556}
   (( segid "pupa" and resid 23   and name HE21))
   (( segid "pupa" and resid 23   and name HG1 ))
      3.800     1.800     1.800 peak   556 spectrum    2 weight  0.11000E+01 volume  0.52718E-03 ppm1      7.126 ppm2      2.353 CV     1
 ASSI {  557}
   (( segid "pupa" and resid 23   and name HE21))
   (  segid "pupa" and resid 19   and name HB% )
      3.600     3.600     2.400 peak   557 spectrum    2 weight  0.11000E+01 volume  0.97390E-03 ppm1      7.127 ppm2      1.505 CV     1
 ASSI {  558}
   (( segid "pupa" and resid 23   and name HE22))
   (( segid "pupa" and resid 23   and name HG2 ))
      4.300     2.300     1.700 peak   558 spectrum    2 weight  0.11000E+01 volume  0.57117E-03 ppm1      6.549 ppm2      2.639 CV     1
 ASSI {  559}
   (( segid "pupa" and resid 23   and name HE22))
   (  segid "pupa" and resid 19   and name HB% )
      3.300     3.300     2.700 peak   559 spectrum    2 weight  0.11000E+01 volume  0.10425E-02 ppm1      6.550 ppm2      1.505 CV     1
 ASSI {  560}
   (( segid "pupa" and resid 23   and name HE22))
   (( segid "pupa" and resid 8    and name HG11))
      4.700     2.800     1.300 peak   560 spectrum    2 weight  0.11000E+01 volume  0.18616E-03 ppm1      6.550 ppm2      0.951 CV     1
 ASSI {  561}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 35   and name HA  ))
      2.900     1.100     1.100 peak   561 spectrum    2 weight  0.11000E+01 volume  0.18577E-02 ppm1      6.919 ppm2      4.516 CV     1
 ASSI {  562}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 32   and name HA  ))
      4.600     2.700     1.400 peak   562 spectrum    2 weight  0.11000E+01 volume  0.33211E-03 ppm1      6.921 ppm2      4.258 CV     1
 ASSI {  563}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 36   and name HA2 ))
      5.100     3.200     0.900 peak   563 spectrum    2 weight  0.11000E+01 volume  0.62979E-03 ppm1      6.919 ppm2      3.937 CV     1
 OR {  563}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 36   and name HA1 ))
 ASSI {  564}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak   564 spectrum    2 weight  0.11000E+01 volume  0.11599E-02 ppm1      6.920 ppm2      2.980 CV     1
 ASSI {  565}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 34   and name HB1 ))
      4.200     2.200     1.800 peak   565 spectrum    2 weight  0.11000E+01 volume  0.32287E-03 ppm1      6.921 ppm2      2.571 CV     1
 ASSI {  566}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 35   and name HB  ))
      3.500     1.500     1.500 peak   566 spectrum    2 weight  0.11000E+01 volume  0.17713E-02 ppm1      6.920 ppm2      1.956 CV     1
 ASSI {  567}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 35   and name HG12))
      2.300     0.600     0.600 peak   567 spectrum    2 weight  0.11000E+01 volume  0.55645E-02 ppm1      6.921 ppm2      1.263 CV     1
 OR {  567}
   (( segid "pupa" and resid 35   and name HN  ))
   (( segid "pupa" and resid 35   and name HG11))
 ASSI {  568}
   (( segid "pupa" and resid 35   and name HN  ))
   (  segid "pupa" and resid 35   and name HG2%)
      3.000     1.100     1.100 peak   568 spectrum    2 weight  0.11000E+01 volume  0.20994E-02 ppm1      6.921 ppm2      0.681 CV     1
 ASSI {  569}
   (( segid "pupa" and resid 35   and name HN  ))
   (  segid "pupa" and resid 35   and name HD1%)
      4.800     2.900     1.200 peak   569 spectrum    2 weight  0.11000E+01 volume  0.71926E-03 ppm1      6.920 ppm2      0.541 CV     1
 ASSI {  570}
   (( segid "pupa" and resid 24   and name HN  ))
   (  segid "pupa" and resid 24   and name HG2%)
      3.000     3.000     3.000 peak   570 spectrum    2 weight  0.11000E+01 volume  0.18298E-02 ppm1      7.101 ppm2     -0.102 CV     1
 ASSI {  571}
   (( segid "pupa" and resid 4    and name HE1 ))
   (  segid "pupa" and resid 24   and name HG2%)
      4.500     4.500     1.500 peak   571 spectrum    2 weight  0.11000E+01 volume  0.26496E-03 ppm1      9.883 ppm2     -0.097 CV     1
 ASSI {  572}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 66   and name HG11))
      3.400     1.500     1.500 peak   572 spectrum    2 weight  0.11000E+01 volume  0.20060E-02 ppm1      8.917 ppm2      1.715 CV     1
 OR {  572}
   (( segid "pupa" and resid 66   and name HN  ))
   (( segid "pupa" and resid 66   and name HG12))
 ASSI {  573}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 4    and name HE3 ))
      5.200     5.200     0.800 peak   573 spectrum    2 weight  0.11000E+01 volume  0.14311E-03 ppm1      9.267 ppm2      7.654 CV     1
 ASSI {  574}
   (( segid "pupa" and resid 49   and name HN  ))
   (( segid "pupa" and resid 4    and name HH2 ))
      6.000     4.600     0.000 peak   574 spectrum    2 weight  0.11000E+01 volume  0.12722E-03 ppm1      9.263 ppm2      7.071 CV     1
 ASSI {  575}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 46   and name HG2 ))
      3.600     1.600     1.600 peak   575 spectrum    2 weight  0.11000E+01 volume  0.14679E-02 ppm1      8.694 ppm2      1.260 CV     1
 OR {  575}
   (( segid "pupa" and resid 47   and name HN  ))
   (( segid "pupa" and resid 46   and name HG1 ))
 ASSI {  576}
   (( segid "pupa" and resid 3    and name HN  ))
   (( segid "pupa" and resid 3    and name HA  ))
      3.300     1.400     1.400 peak   576 spectrum    2 weight  0.11000E+01 volume  0.11191E-02 ppm1      7.387 ppm2      4.402 CV     1
 ASSI {  577}
   (( segid "pupa" and resid 11   and name HN  ))
   (( segid "pupa" and resid 39   and name HB2 ))
      4.100     2.100     1.900 peak   577 spectrum    2 weight  0.11000E+01 volume  0.36519E-03 ppm1      8.030 ppm2      1.776 CV     1
 ASSI {  578}
   (( segid "pupa" and resid 52   and name HN  ))
   (( segid "pupa" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   578 spectrum    2 weight  0.11000E+01 volume  0.40992E-02 ppm1      7.843 ppm2      3.968 CV     1
 ASSI {  579}
   (( segid "pupa" and resid 31   and name HN  ))
   (( segid "pupa" and resid 73   and name HB  ))
      5.500     3.800     0.500 peak   579 spectrum    2 weight  0.11000E+01 volume  0.15057E-03 ppm1      9.574 ppm2      1.985 CV     1
 ASSI {  580}
   (( segid "pupa" and resid 31   and name HN  ))
   (  segid "pupa" and resid 35   and name HG2%)
      4.600     2.700     1.400 peak   580 spectrum    2 weight  0.11000E+01 volume  0.16064E-03 ppm1      9.574 ppm2      0.654 CV     1
 ASSI {  581}
   (( segid "pupa" and resid 30   and name HN  ))
   (( segid "pupa" and resid 30   and name HD1 ))
      3.300     1.400     1.400 peak   581 spectrum    2 weight  0.11000E+01 volume  0.10357E-02 ppm1      7.372 ppm2      6.529 CV     1
 ASSI {  582}
   (( segid "pupa" and resid 30   and name HN  ))
   (( segid "pupa" and resid 30   and name HE1 ))
      5.400     3.700     0.600 peak   582 spectrum    2 weight  0.11000E+01 volume  0.14221E-03 ppm1      7.369 ppm2      6.660 CV     1
 ASSI {  583}
   (( segid "pupa" and resid 23   and name HN  ))
   (  segid "pupa" and resid 24   and name HG2%)
      5.100     5.100     0.900 peak   583 spectrum    2 weight  0.11000E+01 volume  0.31733E-03 ppm1      8.094 ppm2     -0.105 CV     1
 ASSI {  584}
   (( segid "pupa" and resid 51   and name HN  ))
   (( segid "pupa" and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   584 spectrum    2 weight  0.11000E+01 volume  0.24760E-02 ppm1      8.752 ppm2      4.123 CV     1
 ASSI {  585}
   (( segid "pupa" and resid 70   and name HN  ))
   (( segid "pupa" and resid 68   and name HA1 ))
      4.800     2.900     1.200 peak   585 spectrum    2 weight  0.11000E+01 volume  0.17647E-03 ppm1      7.977 ppm2      3.651 CV     1
 ASSI {  586}
   (( segid "pupa" and resid 64   and name HN  ))
   (  segid "pupa" and resid 64   and name HD% )
      2.800     1.000     1.000 peak   586 spectrum    2 weight  0.11000E+01 volume  0.21204E-02 ppm1      7.619 ppm2      6.720 CV     1
 ASSI {  587}
   (( segid "pupa" and resid 41   and name HN  ))
   (( segid "pupa" and resid 41   and name HG  ))
      4.800     2.800     1.200 peak   587 spectrum    2 weight  0.11000E+01 volume  0.28821E-03 ppm1      7.342 ppm2      6.234 CV     1
 ASSI {  588}
   (( segid "pupa" and resid 15   and name HN  ))
   (( segid "pupa" and resid 18   and name HB2 ))
      5.400     3.600     0.600 peak   588 spectrum    2 weight  0.11000E+01 volume  0.12274E-03 ppm1      7.275 ppm2      2.133 CV     1
 ASSI {  589}
   (( segid "pupa" and resid 65   and name HE22))
   (( segid "pupa" and resid 65   and name HG1 ))
      5.900     4.300     0.100 peak   589 spectrum    2 weight  0.11000E+01 volume  0.11887E-03 ppm1      6.652 ppm2      2.237 CV     1
 OR {  589}
   (( segid "pupa" and resid 65   and name HE22))
   (( segid "pupa" and resid 65   and name HG2 ))
 ASSI {  590}
   (( segid "pupa" and resid 11   and name HE21))
   (( segid "pupa" and resid 11   and name HB2 ))
      5.000     3.100     1.000 peak   590 spectrum    2 weight  0.11000E+01 volume  0.14698E-03 ppm1      7.678 ppm2      2.186 CV     1
 ASSI {  591}
   (( segid "pupa" and resid 26   and name HN  ))
   (( segid "pupa" and resid 25   and name HB1 ))
      5.900     4.300     0.100 peak   591 spectrum    2 weight  0.11000E+01 volume  0.90330E-04 ppm1      7.618 ppm2      2.667 CV     1
 ASSI {  592}
   (( segid "pupa" and resid 68   and name HN  ))
   (( segid "pupa" and resid 67   and name HA  ))
      2.600     0.900     0.900 peak   592 spectrum    2 weight  0.11000E+01 volume  0.37671E-02 ppm1      8.921 ppm2      4.914 CV     1
 ASSI {    1}
   (( segid "pupa" and resid 64   and name HA  ))
   (( segid "pupa" and resid 64   and name HB1 ))
      2.200     0.600     0.600 peak     1 spectrum    3 weight  0.11000E+01 volume  0.11005E-01 ppm1      5.923 ppm2      2.627 CV     1
 OR {    1}
   (( segid "pupa" and resid 64   and name HA  ))
   (( segid "pupa" and resid 64   and name HB2 ))
 ASSI {    2}
   (( segid "pupa" and resid 64   and name HA  ))
   (  segid "pupa" and resid 71   and name HG1%)
      3.100     3.100     2.900 peak     2 spectrum    3 weight  0.11000E+01 volume  0.24097E-02 ppm1      5.924 ppm2      0.822 CV     1
 ASSI {    3}
   (( segid "pupa" and resid 48   and name HA  ))
   (( segid "pupa" and resid 3    and name HG1 ))
      3.900     1.900     1.900 peak     3 spectrum    3 weight  0.11000E+01 volume  0.89218E-03 ppm1      5.445 ppm2      1.863 CV     1
 ASSI {    4}
   (( segid "pupa" and resid 48   and name HA  ))
   (( segid "pupa" and resid 3    and name HB1 ))
      3.400     1.500     1.500 peak     4 spectrum    3 weight  0.11000E+01 volume  0.89156E-03 ppm1      5.447 ppm2      1.529 CV     1
 ASSI {    5}
   (( segid "pupa" and resid 48   and name HA  ))
   (( segid "pupa" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak     5 spectrum    3 weight  0.11000E+01 volume  0.62711E-02 ppm1      5.445 ppm2      4.435 CV     1
 ASSI {    6}
   (( segid "pupa" and resid 48   and name HA  ))
   (( segid "pupa" and resid 48   and name HB2 ))
      2.500     0.800     0.800 peak     6 spectrum    3 weight  0.11000E+01 volume  0.44009E-02 ppm1      5.444 ppm2      3.394 CV     1
 ASSI {    7}
   (( segid "pupa" and resid 48   and name HA  ))
   (( segid "pupa" and resid 48   and name HB1 ))
      2.800     0.900     0.900 peak     7 spectrum    3 weight  0.11000E+01 volume  0.40242E-02 ppm1      5.444 ppm2      2.749 CV     1
 ASSI {    8}
   (( segid "pupa" and resid 44   and name HA  ))
   (( segid "pupa" and resid 44   and name HB2 ))
      2.800     1.000     1.000 peak     8 spectrum    3 weight  0.11000E+01 volume  0.20421E-02 ppm1      5.046 ppm2      1.842 CV     1
 ASSI {    9}
   (( segid "pupa" and resid 44   and name HA  ))
   (( segid "pupa" and resid 44   and name HB1 ))
      2.500     0.800     0.800 peak     9 spectrum    3 weight  0.11000E+01 volume  0.36468E-02 ppm1      5.046 ppm2      1.713 CV     1
 ASSI {   10}
   (( segid "pupa" and resid 44   and name HA  ))
   (( segid "pupa" and resid 44   and name HG1 ))
      3.200     1.300     1.300 peak    10 spectrum    3 weight  0.11000E+01 volume  0.18023E-02 ppm1      5.046 ppm2      1.394 CV     1
 OR {   10}
   (( segid "pupa" and resid 44   and name HA  ))
   (( segid "pupa" and resid 44   and name HG2 ))
 ASSI {   11}
   (( segid "pupa" and resid 44   and name HA  ))
   (( segid "pupa" and resid 6    and name HB1 ))
      4.500     2.500     1.500 peak    11 spectrum    3 weight  0.11000E+01 volume  0.27548E-03 ppm1      5.044 ppm2      1.262 CV     1
 ASSI {   12}
   (( segid "pupa" and resid 47   and name HA  ))
   (( segid "pupa" and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak    12 spectrum    3 weight  0.11000E+01 volume  0.29346E-02 ppm1      5.024 ppm2      3.525 CV     1
 ASSI {   13}
   (( segid "pupa" and resid 47   and name HA  ))
   (( segid "pupa" and resid 47   and name HB1 ))
      2.900     1.000     1.000 peak    13 spectrum    3 weight  0.11000E+01 volume  0.17989E-02 ppm1      5.023 ppm2      2.847 CV     1
 ASSI {   14}
   (( segid "pupa" and resid 46   and name HA  ))
   (( segid "pupa" and resid 5    and name HA  ))
      2.300     0.600     0.600 peak    14 spectrum    3 weight  0.11000E+01 volume  0.69639E-02 ppm1      5.283 ppm2      4.434 CV     1
 ASSI {   16}
   (( segid "pupa" and resid 46   and name HA  ))
   (( segid "pupa" and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak    16 spectrum    3 weight  0.11000E+01 volume  0.31815E-02 ppm1      5.283 ppm2      1.600 CV     1
 ASSI {   17}
   (( segid "pupa" and resid 46   and name HA  ))
   (( segid "pupa" and resid 46   and name HB1 ))
      2.800     1.000     1.000 peak    17 spectrum    3 weight  0.11000E+01 volume  0.39234E-02 ppm1      5.283 ppm2      1.474 CV     1
 ASSI {   18}
   (( segid "pupa" and resid 46   and name HA  ))
   (( segid "pupa" and resid 46   and name HG1 ))
      2.600     0.900     0.900 peak    18 spectrum    3 weight  0.11000E+01 volume  0.32876E-02 ppm1      5.282 ppm2      1.282 CV     1
 OR {   18}
   (( segid "pupa" and resid 46   and name HA  ))
   (( segid "pupa" and resid 46   and name HG2 ))
 ASSI {   19}
   (( segid "pupa" and resid 46   and name HA  ))
   (  segid "pupa" and resid 5    and name HG2%)
      4.000     2.000     2.000 peak    19 spectrum    3 weight  0.11000E+01 volume  0.64872E-03 ppm1      5.281 ppm2      1.135 CV     1
 ASSI {   20}
   (( segid "pupa" and resid 39   and name HA  ))
   (( segid "pupa" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    20 spectrum    3 weight  0.11000E+01 volume  0.43177E-02 ppm1      4.876 ppm2      4.430 CV     1
 ASSI {   21}
   (( segid "pupa" and resid 39   and name HA  ))
   (( segid "pupa" and resid 39   and name HB2 ))
      2.400     0.700     0.700 peak    21 spectrum    3 weight  0.11000E+01 volume  0.46908E-02 ppm1      4.878 ppm2      1.805 CV     1
 ASSI {   22}
   (( segid "pupa" and resid 7    and name HA  ))
   (( segid "pupa" and resid 44   and name HG2 ))
      3.800     1.800     1.800 peak    22 spectrum    3 weight  0.11000E+01 volume  0.10682E-02 ppm1      4.883 ppm2      1.392 CV     1
 OR {   22}
   (( segid "pupa" and resid 7    and name HA  ))
   (( segid "pupa" and resid 44   and name HG1 ))
 ASSI {   23}
   (( segid "pupa" and resid 7    and name HA  ))
   (( segid "pupa" and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak    23 spectrum    3 weight  0.11000E+01 volume  0.26807E-02 ppm1      4.883 ppm2      2.837 CV     1
 ASSI {   24}
   (( segid "pupa" and resid 7    and name HA  ))
   (( segid "pupa" and resid 7    and name HB1 ))
      2.500     0.800     0.800 peak    24 spectrum    3 weight  0.11000E+01 volume  0.38287E-02 ppm1      4.882 ppm2      2.515 CV     1
 ASSI {   25}
   (( segid "pupa" and resid 39   and name HA  ))
   (( segid "pupa" and resid 39   and name HB1 ))
      2.000     0.500     0.500 peak    25 spectrum    3 weight  0.11000E+01 volume  0.10104E-01 ppm1      4.877 ppm2      1.584 CV     1
 ASSI {   26}
   (( segid "pupa" and resid 31   and name HA  ))
   (( segid "pupa" and resid 31   and name HB2 ))
      2.000     0.500     0.500 peak    26 spectrum    3 weight  0.11000E+01 volume  0.18528E-01 ppm1      5.109 ppm2      3.936 CV     1
 OR {   26}
   (( segid "pupa" and resid 31   and name HA  ))
   (( segid "pupa" and resid 31   and name HB1 ))
 ASSI {   27}
   (( segid "pupa" and resid 6    and name HA  ))
   (( segid "pupa" and resid 6    and name HB2 ))
      2.500     0.800     0.800 peak    27 spectrum    3 weight  0.11000E+01 volume  0.87013E-02 ppm1      4.841 ppm2      1.641 CV     1
 ASSI {   28}
   (( segid "pupa" and resid 6    and name HA  ))
   (( segid "pupa" and resid 6    and name HB1 ))
      2.400     0.700     0.700 peak    28 spectrum    3 weight  0.11000E+01 volume  0.43628E-02 ppm1      4.840 ppm2      1.273 CV     1
 ASSI {   29}
   (( segid "pupa" and resid 6    and name HA  ))
   (  segid "pupa" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak    29 spectrum    3 weight  0.11000E+01 volume  0.11047E-02 ppm1      4.841 ppm2      0.871 CV     1
 ASSI {   30}
   (( segid "pupa" and resid 6    and name HA  ))
   (  segid "pupa" and resid 6    and name HD2%)
      2.400     0.700     0.700 peak    30 spectrum    3 weight  0.11000E+01 volume  0.53734E-02 ppm1      4.840 ppm2      0.734 CV     1
 ASSI {   31}
   (( segid "pupa" and resid 28   and name HA  ))
   (( segid "pupa" and resid 71   and name HB  ))
      2.600     0.800     0.800 peak    31 spectrum    3 weight  0.11000E+01 volume  0.32164E-02 ppm1      5.203 ppm2      2.099 CV     1
 ASSI {   32}
   (( segid "pupa" and resid 28   and name HA  ))
   (( segid "pupa" and resid 28   and name HB2 ))
      2.900     1.000     1.000 peak    32 spectrum    3 weight  0.11000E+01 volume  0.32697E-02 ppm1      5.204 ppm2      1.751 CV     1
 ASSI {   33}
   (( segid "pupa" and resid 28   and name HA  ))
   (( segid "pupa" and resid 28   and name HB1 ))
      2.500     0.800     0.800 peak    33 spectrum    3 weight  0.11000E+01 volume  0.31239E-02 ppm1      5.204 ppm2      1.559 CV     1
 ASSI {   34}
   (( segid "pupa" and resid 28   and name HA  ))
   (  segid "pupa" and resid 71   and name HG1%)
      2.700     2.700     3.300 peak    34 spectrum    3 weight  0.11000E+01 volume  0.54904E-02 ppm1      5.204 ppm2      0.795 CV     1
 ASSI {   35}
   (( segid "pupa" and resid 28   and name HA  ))
   (  segid "pupa" and resid 28   and name HD2%)
      2.800     0.900     0.900 peak    35 spectrum    3 weight  0.11000E+01 volume  0.29194E-02 ppm1      5.204 ppm2      0.684 CV     1
 ASSI {   36}
   (( segid "pupa" and resid 67   and name HA  ))
   (( segid "pupa" and resid 67   and name HB2 ))
      2.600     0.900     0.900 peak    36 spectrum    3 weight  0.11000E+01 volume  0.39692E-02 ppm1      4.928 ppm2      2.715 CV     1
 ASSI {   37}
   (( segid "pupa" and resid 67   and name HA  ))
   (( segid "pupa" and resid 67   and name HB1 ))
      2.600     0.800     0.800 peak    37 spectrum    3 weight  0.11000E+01 volume  0.52175E-02 ppm1      4.928 ppm2      2.488 CV     1
 ASSI {   39}
   (( segid "pupa" and resid 69   and name HA  ))
   (( segid "pupa" and resid 69   and name HB2 ))
      2.500     0.800     0.800 peak    39 spectrum    3 weight  0.11000E+01 volume  0.80509E-02 ppm1      4.912 ppm2      2.974 CV     1
 ASSI {   40}
   (( segid "pupa" and resid 69   and name HA  ))
   (( segid "pupa" and resid 69   and name HB1 ))
      2.500     0.800     0.800 peak    40 spectrum    3 weight  0.11000E+01 volume  0.43692E-02 ppm1      4.912 ppm2      2.920 CV     1
 ASSI {   41}
   (( segid "pupa" and resid 69   and name HA  ))
   (  segid "pupa" and resid 49   and name HD2%)
      2.900     2.900     3.100 peak    41 spectrum    3 weight  0.11000E+01 volume  0.99982E-03 ppm1      4.912 ppm2      0.863 CV     1
 ASSI {   43}
   (( segid "pupa" and resid 72   and name HA  ))
   (( segid "pupa" and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak    43 spectrum    3 weight  0.11000E+01 volume  0.43206E-02 ppm1      5.316 ppm2      1.919 CV     1
 ASSI {   44}
   (( segid "pupa" and resid 72   and name HA  ))
   (( segid "pupa" and resid 29   and name HB1 ))
      2.800     1.000     1.000 peak    44 spectrum    3 weight  0.11000E+01 volume  0.17561E-02 ppm1      5.315 ppm2      1.481 CV     1
 ASSI {   45}
   (( segid "pupa" and resid 72   and name HA  ))
   (  segid "pupa" and resid 72   and name HG2%)
      2.500     0.800     0.800 peak    45 spectrum    3 weight  0.11000E+01 volume  0.55858E-02 ppm1      5.315 ppm2      1.141 CV     1
 ASSI {   47}
   (( segid "pupa" and resid 70   and name HA  ))
   (( segid "pupa" and resid 70   and name HB  ))
      3.000     1.100     1.100 peak    47 spectrum    3 weight  0.11000E+01 volume  0.17048E-02 ppm1      5.132 ppm2      4.213 CV     1
 ASSI {   48}
   (( segid "pupa" and resid 70   and name HA  ))
   (( segid "pupa" and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak    48 spectrum    3 weight  0.11000E+01 volume  0.52967E-02 ppm1      5.133 ppm2      2.035 CV     1
 OR {   48}
   (( segid "pupa" and resid 70   and name HA  ))
   (( segid "pupa" and resid 27   and name HB2 ))
 ASSI {   49}
   (( segid "pupa" and resid 70   and name HA  ))
   (  segid "pupa" and resid 70   and name HG2%)
      2.500     0.800     0.800 peak    49 spectrum    3 weight  0.11000E+01 volume  0.54231E-02 ppm1      5.134 ppm2      1.177 CV     1
 ASSI {   50}
   (( segid "pupa" and resid 73   and name HA  ))
   (( segid "pupa" and resid 64   and name HB2 ))
      3.400     1.400     1.400 peak    50 spectrum    3 weight  0.11000E+01 volume  0.14448E-02 ppm1      5.107 ppm2      2.624 CV     1
 OR {   50}
   (( segid "pupa" and resid 73   and name HA  ))
   (( segid "pupa" and resid 64   and name HB1 ))
 ASSI {   53}
   (( segid "pupa" and resid 71   and name HA  ))
   (  segid "pupa" and resid 71   and name HG2%)
      2.300     0.600     0.600 peak    53 spectrum    3 weight  0.11000E+01 volume  0.90443E-02 ppm1      4.910 ppm2      0.838 CV     1
 ASSI {   54}
   (( segid "pupa" and resid 71   and name HA  ))
   (( segid "pupa" and resid 71   and name HB  ))
      3.300     1.300     1.300 peak    54 spectrum    3 weight  0.11000E+01 volume  0.10992E-02 ppm1      4.906 ppm2      2.108 CV     1
 ASSI {   55}
   (( segid "pupa" and resid 30   and name HA  ))
   (( segid "pupa" and resid 30   and name HB2 ))
      2.400     0.700     0.700 peak    55 spectrum    3 weight  0.11000E+01 volume  0.54743E-02 ppm1      4.903 ppm2      3.310 CV     1
 ASSI {   56}
   (( segid "pupa" and resid 30   and name HA  ))
   (( segid "pupa" and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak    56 spectrum    3 weight  0.11000E+01 volume  0.47679E-02 ppm1      4.902 ppm2      2.760 CV     1
 ASSI {   57}
   (( segid "pupa" and resid 30   and name HA  ))
   (( segid "pupa" and resid 73   and name HB  ))
      3.500     1.500     1.500 peak    57 spectrum    3 weight  0.11000E+01 volume  0.68452E-03 ppm1      4.902 ppm2      1.970 CV     1
 ASSI {   60}
   (( segid "pupa" and resid 65   and name HA  ))
   (( segid "pupa" and resid 65   and name HG1 ))
      2.900     1.100     1.100 peak    60 spectrum    3 weight  0.11000E+01 volume  0.21849E-02 ppm1      4.572 ppm2      2.249 CV     1
 OR {   60}
   (( segid "pupa" and resid 65   and name HA  ))
   (( segid "pupa" and resid 65   and name HG2 ))
 ASSI {   61}
   (( segid "pupa" and resid 65   and name HA  ))
   (( segid "pupa" and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak    61 spectrum    3 weight  0.11000E+01 volume  0.68452E-02 ppm1      4.573 ppm2      1.955 CV     1
 OR {   61}
   (( segid "pupa" and resid 65   and name HA  ))
   (( segid "pupa" and resid 65   and name HB1 ))
 ASSI {   62}
   (( segid "pupa" and resid 27   and name HA  ))
   (( segid "pupa" and resid 27   and name HG2 ))
      3.500     1.500     1.500 peak    62 spectrum    3 weight  0.11000E+01 volume  0.12638E-02 ppm1      4.498 ppm2      2.309 CV     1
 ASSI {   63}
   (( segid "pupa" and resid 27   and name HA  ))
   (( segid "pupa" and resid 27   and name HG1 ))
      3.300     1.400     1.400 peak    63 spectrum    3 weight  0.11000E+01 volume  0.10289E-02 ppm1      4.499 ppm2      2.189 CV     1
 ASSI {   64}
   (( segid "pupa" and resid 27   and name HA  ))
   (( segid "pupa" and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak    64 spectrum    3 weight  0.11000E+01 volume  0.66078E-02 ppm1      4.497 ppm2      2.042 CV     1
 OR {   64}
   (( segid "pupa" and resid 27   and name HA  ))
   (( segid "pupa" and resid 27   and name HB1 ))
 ASSI {   65}
   (( segid "pupa" and resid 27   and name HA  ))
   (  segid "pupa" and resid 21   and name HB% )
      3.500     3.500     2.500 peak    65 spectrum    3 weight  0.11000E+01 volume  0.89768E-03 ppm1      4.499 ppm2      1.559 CV     1
 ASSI {   66}
   (( segid "pupa" and resid 11   and name HA  ))
   (( segid "pupa" and resid 11   and name HG1 ))
      2.900     1.000     1.000 peak    66 spectrum    3 weight  0.11000E+01 volume  0.31877E-02 ppm1      4.709 ppm2      2.383 CV     1
 OR {   66}
   (( segid "pupa" and resid 11   and name HA  ))
   (( segid "pupa" and resid 11   and name HG2 ))
 ASSI {   67}
   (( segid "pupa" and resid 11   and name HA  ))
   (( segid "pupa" and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak    67 spectrum    3 weight  0.11000E+01 volume  0.96871E-02 ppm1      4.709 ppm2      2.158 CV     1
 OR {   67}
   (( segid "pupa" and resid 11   and name HA  ))
   (( segid "pupa" and resid 11   and name HB2 ))
 ASSI {   68}
   (( segid "pupa" and resid 62   and name HA  ))
   (  segid "pupa" and resid 62   and name HD2%)
      2.300     0.700     0.700 peak    68 spectrum    3 weight  0.11000E+01 volume  0.88456E-02 ppm1      4.620 ppm2      0.723 CV     1
 ASSI {   69}
   (( segid "pupa" and resid 29   and name HA  ))
   (( segid "pupa" and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak    69 spectrum    3 weight  0.11000E+01 volume  0.51590E-02 ppm1      4.633 ppm2      1.916 CV     1
 ASSI {   70}
   (( segid "pupa" and resid 38   and name HA  ))
   (  segid "pupa" and resid 38   and name HD2%)
      2.600     2.600     3.400 peak    70 spectrum    3 weight  0.11000E+01 volume  0.91311E-02 ppm1      4.635 ppm2      0.961 CV     1
 ASSI {   71}
   (( segid "pupa" and resid 29   and name HA  ))
   (  segid "pupa" and resid 29   and name HD1%)
      2.300     2.300     3.700 peak    71 spectrum    3 weight  0.11000E+01 volume  0.10867E-01 ppm1      4.633 ppm2      0.819 CV     1
 ASSI {   72}
   (( segid "pupa" and resid 38   and name HA  ))
   (( segid "pupa" and resid 38   and name HB1 ))
      2.100     0.600     0.600 peak    72 spectrum    3 weight  0.11000E+01 volume  0.10600E-01 ppm1      4.630 ppm2      1.269 CV     1
 ASSI {   73}
   (( segid "pupa" and resid 3    and name HA  ))
   (( segid "pupa" and resid 3    and name HG2 ))
      3.300     1.300     1.300 peak    73 spectrum    3 weight  0.11000E+01 volume  0.10565E-02 ppm1      4.436 ppm2      2.086 CV     1
 ASSI {   74}
   (( segid "pupa" and resid 3    and name HA  ))
   (( segid "pupa" and resid 3    and name HB1 ))
      2.400     0.700     0.700 peak    74 spectrum    3 weight  0.11000E+01 volume  0.61198E-02 ppm1      4.438 ppm2      1.526 CV     1
 OR {   74}
   (( segid "pupa" and resid 3    and name HA  ))
   (( segid "pupa" and resid 3    and name HB2 ))
 ASSI {   75}
   (( segid "pupa" and resid 3    and name HA  ))
   (( segid "pupa" and resid 3    and name HG1 ))
      2.900     1.000     1.000 peak    75 spectrum    3 weight  0.11000E+01 volume  0.28457E-02 ppm1      4.435 ppm2      1.867 CV     1
 ASSI {   78}
   (( segid "pupa" and resid 63   and name HA  ))
   (( segid "pupa" and resid 63   and name HG2 ))
      2.200     0.600     0.600 peak    78 spectrum    3 weight  0.11000E+01 volume  0.12092E-01 ppm1      4.633 ppm2      1.493 CV     1
 OR {   78}
   (( segid "pupa" and resid 63   and name HA  ))
   (( segid "pupa" and resid 63   and name HG1 ))
 ASSI {   79}
   (( segid "pupa" and resid 43   and name HA  ))
   (( segid "pupa" and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak    79 spectrum    3 weight  0.11000E+01 volume  0.73943E-02 ppm1      4.616 ppm2      1.180 CV     1
 ASSI {   80}
   (( segid "pupa" and resid 43   and name HA  ))
   (  segid "pupa" and resid 43   and name HD1%)
      2.600     2.600     3.400 peak    80 spectrum    3 weight  0.11000E+01 volume  0.51023E-02 ppm1      4.615 ppm2      0.594 CV     1
 ASSI {   81}
   (( segid "pupa" and resid 75   and name HA  ))
   (  segid "pupa" and resid 75   and name HB% )
      2.300     0.600     0.600 peak    81 spectrum    3 weight  0.11000E+01 volume  0.89606E-02 ppm1      4.607 ppm2      1.389 CV     1
 ASSI {   82}
   (( segid "pupa" and resid 75   and name HA  ))
   (( segid "pupa" and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak    82 spectrum    3 weight  0.11000E+01 volume  0.16463E-02 ppm1      4.612 ppm2      1.261 CV     1
 ASSI {   83}
   (( segid "pupa" and resid 75   and name HA  ))
   (  segid "pupa" and resid 62   and name HD2%)
      2.300     0.600     0.600 peak    83 spectrum    3 weight  0.11000E+01 volume  0.84608E-02 ppm1      4.606 ppm2      0.724 CV     1
 ASSI {   84}
   (( segid "pupa" and resid 45   and name HA2 ))
   (( segid "pupa" and resid 45   and name HA1 ))
      1.800     0.400     0.400 peak    84 spectrum    3 weight  0.11000E+01 volume  0.19803E-01 ppm1      4.484 ppm2      3.866 CV     1
 ASSI {   85}
   (( segid "pupa" and resid 5    and name HA  ))
   (( segid "pupa" and resid 46   and name HB1 ))
      5.900     4.300     0.100 peak    85 spectrum    3 weight  0.11000E+01 volume  0.15225E-03 ppm1      4.434 ppm2      1.468 CV     1
 ASSI {   86}
   (( segid "pupa" and resid 5    and name HA  ))
   (( segid "pupa" and resid 46   and name HG1 ))
      3.200     1.300     1.300 peak    86 spectrum    3 weight  0.11000E+01 volume  0.10294E-02 ppm1      4.431 ppm2      1.278 CV     1
 OR {   86}
   (( segid "pupa" and resid 5    and name HA  ))
   (( segid "pupa" and resid 46   and name HG2 ))
 ASSI {   87}
   (( segid "pupa" and resid 5    and name HA  ))
   (( segid "pupa" and resid 46   and name HB2 ))
      4.400     2.400     1.600 peak    87 spectrum    3 weight  0.11000E+01 volume  0.16246E-03 ppm1      4.430 ppm2      1.624 CV     1
 ASSI {   88}
   (( segid "pupa" and resid 5    and name HA  ))
   (  segid "pupa" and resid 5    and name HG2%)
      2.500     0.800     0.800 peak    88 spectrum    3 weight  0.11000E+01 volume  0.44681E-02 ppm1      4.432 ppm2      1.137 CV     1
 ASSI {   89}
   (( segid "pupa" and resid 60   and name HA  ))
   (  segid "pupa" and resid 60   and name HG2%)
      2.600     0.800     0.800 peak    89 spectrum    3 weight  0.11000E+01 volume  0.51615E-02 ppm1      4.516 ppm2      1.223 CV     1
 ASSI {   90}
   (( segid "pupa" and resid 66   and name HA  ))
   (( segid "pupa" and resid 66   and name HB  ))
      3.100     1.200     1.200 peak    90 spectrum    3 weight  0.11000E+01 volume  0.11271E-02 ppm1      4.548 ppm2      1.827 CV     1
 ASSI {   91}
   (( segid "pupa" and resid 66   and name HA  ))
   (( segid "pupa" and resid 66   and name HG11))
      3.000     1.100     1.100 peak    91 spectrum    3 weight  0.11000E+01 volume  0.16104E-02 ppm1      4.542 ppm2      1.734 CV     1
 OR {   91}
   (( segid "pupa" and resid 66   and name HA  ))
   (( segid "pupa" and resid 66   and name HG12))
 ASSI {   94}
   (( segid "pupa" and resid 26   and name HA  ))
   (( segid "pupa" and resid 26   and name HB  ))
      2.700     0.900     0.900 peak    94 spectrum    3 weight  0.11000E+01 volume  0.30448E-02 ppm1      4.520 ppm2      3.636 CV     1
 ASSI {   95}
   (( segid "pupa" and resid 26   and name HA  ))
   (( segid "pupa" and resid 69   and name HB1 ))
      3.000     1.100     1.100 peak    95 spectrum    3 weight  0.11000E+01 volume  0.19656E-02 ppm1      4.520 ppm2      2.924 CV     1
 ASSI {   96}
   (( segid "pupa" and resid 35   and name HA  ))
   (( segid "pupa" and resid 35   and name HB  ))
      2.400     0.700     0.700 peak    96 spectrum    3 weight  0.11000E+01 volume  0.51615E-02 ppm1      4.525 ppm2      1.970 CV     1
 ASSI {   97}
   (( segid "pupa" and resid 35   and name HA  ))
   (( segid "pupa" and resid 38   and name HG  ))
      3.400     1.400     1.400 peak    97 spectrum    3 weight  0.11000E+01 volume  0.10041E-02 ppm1      4.526 ppm2      1.643 CV     1
 ASSI {   98}
   (( segid "pupa" and resid 35   and name HA  ))
   (  segid "pupa" and resid 35   and name HG2%)
      2.500     0.800     0.800 peak    98 spectrum    3 weight  0.11000E+01 volume  0.51775E-02 ppm1      4.526 ppm2      0.697 CV     1
 ASSI {   99}
   (( segid "pupa" and resid 35   and name HA  ))
   (  segid "pupa" and resid 35   and name HD1%)
      4.200     2.200     1.800 peak    99 spectrum    3 weight  0.11000E+01 volume  0.12560E-02 ppm1      4.526 ppm2      0.580 CV     1
 ASSI {  100}
   (( segid "pupa" and resid 35   and name HA  ))
   (( segid "pupa" and resid 35   and name HG11))
      3.200     1.300     1.300 peak   100 spectrum    3 weight  0.11000E+01 volume  0.21156E-02 ppm1      4.525 ppm2      1.272 CV     1
 OR {  100}
   (( segid "pupa" and resid 35   and name HA  ))
   (( segid "pupa" and resid 35   and name HG12))
 ASSI {  101}
   (( segid "pupa" and resid 74   and name HA  ))
   (  segid "pupa" and resid 74   and name HG2%)
      2.800     1.000     1.000 peak   101 spectrum    3 weight  0.11000E+01 volume  0.45407E-02 ppm1      4.658 ppm2      1.133 CV     1
 ASSI {  103}
   (( segid "pupa" and resid 74   and name HA  ))
   (  segid "pupa" and resid 62   and name HD2%)
      6.000     6.000     0.000 peak   103 spectrum    3 weight  0.11000E+01 volume  0.10697E-04 ppm1      4.660 ppm2      0.726 CV     1
 ASSI {  104}
   (( segid "pupa" and resid 12   and name HA  ))
   (( segid "pupa" and resid 39   and name HB1 ))
      3.200     1.300     1.300 peak   104 spectrum    3 weight  0.11000E+01 volume  0.18353E-02 ppm1      4.428 ppm2      1.584 CV     1
 ASSI {  105}
   (( segid "pupa" and resid 41   and name HA  ))
   (( segid "pupa" and resid 41   and name HB1 ))
      2.600     0.800     0.800 peak   105 spectrum    3 weight  0.11000E+01 volume  0.44417E-02 ppm1      4.708 ppm2      3.847 CV     1
 ASSI {  106}
   (( segid "pupa" and resid 41   and name HA  ))
   (  segid "pupa" and resid 42   and name HB% )
      3.800     1.800     1.800 peak   106 spectrum    3 weight  0.11000E+01 volume  0.27047E-02 ppm1      4.708 ppm2      1.358 CV     1
 ASSI {  107}
   (( segid "pupa" and resid 1    and name HA  ))
   (( segid "pupa" and resid 1    and name HB2 ))
      2.700     0.900     0.900 peak   107 spectrum    3 weight  0.11000E+01 volume  0.40238E-02 ppm1      4.549 ppm2      3.938 CV     1
 ASSI {  108}
   (( segid "pupa" and resid 40   and name HA  ))
   (  segid "pupa" and resid 60   and name HG2%)
      4.300     2.400     1.700 peak   108 spectrum    3 weight  0.11000E+01 volume  0.22230E-03 ppm1      4.411 ppm2      1.222 CV     1
 ASSI {  109}
   (( segid "pupa" and resid 4    and name HA  ))
   (( segid "pupa" and resid 4    and name HB1 ))
      2.800     1.000     1.000 peak   109 spectrum    3 weight  0.11000E+01 volume  0.45134E-02 ppm1      4.782 ppm2      3.168 CV     1
 ASSI {  110}
   (( segid "pupa" and resid 4    and name HA  ))
   (( segid "pupa" and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak   110 spectrum    3 weight  0.11000E+01 volume  0.26103E-02 ppm1      4.780 ppm2      2.816 CV     1
 ASSI {  111}
   (( segid "pupa" and resid 40   and name HA  ))
   (( segid "pupa" and resid 40   and name HB2 ))
      2.400     0.700     0.700 peak   111 spectrum    3 weight  0.11000E+01 volume  0.62033E-02 ppm1      4.412 ppm2      4.023 CV     1
 ASSI {  112}
   (( segid "pupa" and resid 40   and name HA  ))
   (( segid "pupa" and resid 40   and name HB1 ))
      2.500     0.800     0.800 peak   112 spectrum    3 weight  0.11000E+01 volume  0.46750E-02 ppm1      4.412 ppm2      3.601 CV     1
 ASSI {  113}
   (( segid "pupa" and resid 40   and name HA  ))
   (  segid "pupa" and resid 13   and name HE% )
      2.800     2.800     3.200 peak   113 spectrum    3 weight  0.11000E+01 volume  0.40643E-02 ppm1      4.412 ppm2      1.904 CV     1
 ASSI {  114}
   (( segid "pupa" and resid 40   and name HA  ))
   (  segid "pupa" and resid 56   and name HD2%)
      4.300     2.300     1.700 peak   114 spectrum    3 weight  0.11000E+01 volume  0.59561E-03 ppm1      4.413 ppm2      0.764 CV     1
 ASSI {  115}
   (( segid "pupa" and resid 40   and name HA  ))
   (  segid "pupa" and resid 16   and name HB% )
      5.700     4.100     0.300 peak   115 spectrum    3 weight  0.11000E+01 volume  0.11433E-03 ppm1      4.410 ppm2      1.469 CV     1
 ASSI {  116}
   (( segid "pupa" and resid 34   and name HA  ))
   (( segid "pupa" and resid 34   and name HB2 ))
      2.900     1.000     1.000 peak   116 spectrum    3 weight  0.11000E+01 volume  0.27502E-02 ppm1      4.595 ppm2      2.998 CV     1
 ASSI {  117}
   (( segid "pupa" and resid 34   and name HA  ))
   (( segid "pupa" and resid 34   and name HB1 ))
      2.700     0.900     0.900 peak   117 spectrum    3 weight  0.11000E+01 volume  0.45257E-02 ppm1      4.595 ppm2      2.582 CV     1
 ASSI {  118}
   (( segid "pupa" and resid 19   and name HA  ))
   (( segid "pupa" and resid 22   and name HB1 ))
      2.700     0.900     0.900 peak   118 spectrum    3 weight  0.11000E+01 volume  0.34330E-02 ppm1      4.218 ppm2      1.986 CV     1
 OR {  118}
   (( segid "pupa" and resid 19   and name HA  ))
   (( segid "pupa" and resid 22   and name HB2 ))
 ASSI {  120}
   (( segid "pupa" and resid 21   and name HA  ))
   (  segid "pupa" and resid 28   and name HD1%)
      4.000     2.000     2.000 peak   120 spectrum    3 weight  0.11000E+01 volume  0.40100E-03 ppm1      3.908 ppm2      0.790 CV     1
 ASSI {  121}
   (( segid "pupa" and resid 21   and name HA  ))
   (  segid "pupa" and resid 28   and name HD2%)
      3.700     1.700     1.700 peak   121 spectrum    3 weight  0.11000E+01 volume  0.66634E-03 ppm1      3.909 ppm2      0.676 CV     1
 ASSI {  122}
   (( segid "pupa" and resid 21   and name HA  ))
   (  segid "pupa" and resid 20   and name HD2%)
      5.000     5.000     1.000 peak   122 spectrum    3 weight  0.11000E+01 volume  0.12386E-03 ppm1      3.910 ppm2      0.549 CV     1
 ASSI {  125}
   (( segid "pupa" and resid 19   and name HA  ))
   (  segid "pupa" and resid 19   and name HB% )
      2.300     0.600     0.600 peak   125 spectrum    3 weight  0.11000E+01 volume  0.94129E-02 ppm1      4.219 ppm2      1.534 CV     1
 ASSI {  126}
   (( segid "pupa" and resid 57   and name HA  ))
   (  segid "pupa" and resid 60   and name HG2%)
      2.800     1.000     1.000 peak   126 spectrum    3 weight  0.11000E+01 volume  0.22500E-02 ppm1      4.221 ppm2      1.223 CV     1
 ASSI {  127}
   (( segid "pupa" and resid 57   and name HA  ))
   (( segid "pupa" and resid 57   and name HB2 ))
      2.800     1.000     1.000 peak   127 spectrum    3 weight  0.11000E+01 volume  0.10137E-01 ppm1      4.222 ppm2      1.890 CV     1
 ASSI {  128}
   (( segid "pupa" and resid 57   and name HA  ))
   (  segid "pupa" and resid 57   and name HD2%)
      2.600     0.900     0.900 peak   128 spectrum    3 weight  0.11000E+01 volume  0.65747E-02 ppm1      4.222 ppm2      0.728 CV     1
 ASSI {  129}
   (( segid "pupa" and resid 42   and name HA  ))
   (  segid "pupa" and resid 42   and name HB% )
      2.200     0.600     0.600 peak   129 spectrum    3 weight  0.11000E+01 volume  0.89324E-02 ppm1      4.036 ppm2      1.363 CV     1
 ASSI {  130}
   (( segid "pupa" and resid 10   and name HA  ))
   (  segid "pupa" and resid 10   and name HB% )
      2.200     0.600     0.600 peak   130 spectrum    3 weight  0.11000E+01 volume  0.95084E-02 ppm1      3.907 ppm2      1.355 CV     1
 ASSI {  132}
   (( segid "pupa" and resid 78   and name HA  ))
   (  segid "pupa" and resid 78   and name HB% )
      2.700     0.900     0.900 peak   132 spectrum    3 weight  0.11000E+01 volume  0.38097E-02 ppm1      4.265 ppm2      1.377 CV     1
 ASSI {  133}
   (( segid "pupa" and resid 32   and name HD2 ))
   (( segid "pupa" and resid 32   and name HG1 ))
      3.100     1.200     1.200 peak   133 spectrum    3 weight  0.11000E+01 volume  0.28032E-02 ppm1      4.002 ppm2      2.021 CV     1
 ASSI {  137}
   (( segid "pupa" and resid 32   and name HD1 ))
   (( segid "pupa" and resid 32   and name HG1 ))
      2.500     0.800     0.800 peak   137 spectrum    3 weight  0.11000E+01 volume  0.30659E-02 ppm1      3.914 ppm2      2.020 CV     1
 ASSI {  139}
   (( segid "pupa" and resid 9    and name HD2 ))
   (( segid "pupa" and resid 9    and name HG1 ))
      2.300     0.600     0.600 peak   139 spectrum    3 weight  0.11000E+01 volume  0.59218E-02 ppm1      3.582 ppm2      1.834 CV     1
 OR {  139}
   (( segid "pupa" and resid 9    and name HD1 ))
   (( segid "pupa" and resid 9    and name HG1 ))
 ASSI {  140}
   (( segid "pupa" and resid 9    and name HD1 ))
   (( segid "pupa" and resid 9    and name HG2 ))
      2.200     0.600     0.600 peak   140 spectrum    3 weight  0.11000E+01 volume  0.60307E-02 ppm1      3.579 ppm2      1.936 CV     1
 OR {  140}
   (( segid "pupa" and resid 9    and name HD2 ))
   (( segid "pupa" and resid 9    and name HG2 ))
 ASSI {  142}
   (( segid "pupa" and resid 45   and name HA1 ))
   (  segid "pupa" and resid 5    and name HG2%)
      5.700     5.700     0.300 peak   142 spectrum    3 weight  0.11000E+01 volume  0.97065E-04 ppm1      3.854 ppm2      1.136 CV     1
 ASSI {  143}
   (( segid "pupa" and resid 48   and name HB2 ))
   (( segid "pupa" and resid 48   and name HB1 ))
      1.800     0.400     0.400 peak   143 spectrum    3 weight  0.11000E+01 volume  0.16184E-01 ppm1      3.395 ppm2      2.752 CV     1
 ASSI {  144}
   (( segid "pupa" and resid 48   and name HB2 ))
   (( segid "pupa" and resid 3    and name HG1 ))
      4.000     2.000     2.000 peak   144 spectrum    3 weight  0.11000E+01 volume  0.47995E-03 ppm1      3.393 ppm2      1.864 CV     1
 ASSI {  145}
   (( segid "pupa" and resid 47   and name HB2 ))
   (( segid "pupa" and resid 47   and name HB1 ))
      1.800     0.400     0.400 peak   145 spectrum    3 weight  0.11000E+01 volume  0.15044E-01 ppm1      3.526 ppm2      2.843 CV     1
 ASSI {  146}
   (( segid "pupa" and resid 47   and name HB2 ))
   (  segid "pupa" and resid 6    and name HD1%)
      3.500     1.500     1.500 peak   146 spectrum    3 weight  0.11000E+01 volume  0.63642E-03 ppm1      3.528 ppm2      0.878 CV     1
 ASSI {  147}
   (( segid "pupa" and resid 60   and name HB  ))
   (( segid "pupa" and resid 62   and name HG  ))
      2.800     1.000     1.000 peak   147 spectrum    3 weight  0.11000E+01 volume  0.22072E-02 ppm1      4.302 ppm2      1.577 CV     1
 ASSI {  149}
   (( segid "pupa" and resid 60   and name HB  ))
   (  segid "pupa" and resid 38   and name HD1%)
      2.400     2.400     3.600 peak   149 spectrum    3 weight  0.11000E+01 volume  0.29243E-02 ppm1      4.304 ppm2      1.007 CV     1
 ASSI {  150}
   (( segid "pupa" and resid 60   and name HB  ))
   (  segid "pupa" and resid 62   and name HD1%)
      3.200     1.300     1.300 peak   150 spectrum    3 weight  0.11000E+01 volume  0.12451E-02 ppm1      4.303 ppm2      0.778 CV     1
 ASSI {  152}
   (( segid "pupa" and resid 26   and name HB  ))
   (  segid "pupa" and resid 26   and name HG2%)
      2.300     0.700     0.700 peak   152 spectrum    3 weight  0.11000E+01 volume  0.69427E-02 ppm1      3.634 ppm2      0.985 CV     1
 ASSI {  155}
   (( segid "pupa" and resid 70   and name HB  ))
   (( segid "pupa" and resid 67   and name HB2 ))
      3.600     1.700     1.700 peak   155 spectrum    3 weight  0.11000E+01 volume  0.79254E-03 ppm1      4.217 ppm2      2.719 CV     1
 ASSI {  156}
   (( segid "pupa" and resid 70   and name HB  ))
   (  segid "pupa" and resid 70   and name HG2%)
      2.400     0.700     0.700 peak   156 spectrum    3 weight  0.11000E+01 volume  0.74887E-02 ppm1      4.218 ppm2      1.177 CV     1
 ASSI {  157}
   (( segid "pupa" and resid 72   and name HB  ))
   (( segid "pupa" and resid 65   and name HG2 ))
      4.100     2.100     1.900 peak   157 spectrum    3 weight  0.11000E+01 volume  0.48624E-03 ppm1      3.952 ppm2      2.244 CV     1
 OR {  157}
   (( segid "pupa" and resid 72   and name HB  ))
   (( segid "pupa" and resid 65   and name HG1 ))
 ASSI {  158}
   (( segid "pupa" and resid 72   and name HB  ))
   (( segid "pupa" and resid 65   and name HB1 ))
      2.700     0.900     0.900 peak   158 spectrum    3 weight  0.11000E+01 volume  0.29305E-02 ppm1      3.951 ppm2      1.972 CV     1
 OR {  158}
   (( segid "pupa" and resid 72   and name HB  ))
   (( segid "pupa" and resid 65   and name HB2 ))
 ASSI {  159}
   (( segid "pupa" and resid 72   and name HB  ))
   (  segid "pupa" and resid 72   and name HG2%)
      2.300     0.700     0.700 peak   159 spectrum    3 weight  0.11000E+01 volume  0.78004E-02 ppm1      3.951 ppm2      1.143 CV     1
 ASSI {  160}
   (( segid "pupa" and resid 5    and name HB  ))
   (  segid "pupa" and resid 5    and name HG2%)
      2.300     0.700     0.700 peak   160 spectrum    3 weight  0.11000E+01 volume  0.78948E-02 ppm1      4.107 ppm2      1.137 CV     1
 ASSI {  161}
   (( segid "pupa" and resid 32   and name HA  ))
   (( segid "pupa" and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak   161 spectrum    3 weight  0.11000E+01 volume  0.42334E-02 ppm1      4.275 ppm2      2.457 CV     1
 ASSI {  162}
   (( segid "pupa" and resid 32   and name HA  ))
   (( segid "pupa" and resid 32   and name HG2 ))
      4.600     2.700     1.400 peak   162 spectrum    3 weight  0.11000E+01 volume  0.39123E-03 ppm1      4.274 ppm2      2.185 CV     1
 ASSI {  163}
   (( segid "pupa" and resid 32   and name HA  ))
   (( segid "pupa" and resid 32   and name HB1 ))
      2.400     0.700     0.700 peak   163 spectrum    3 weight  0.11000E+01 volume  0.36574E-02 ppm1      4.275 ppm2      2.026 CV     1
 ASSI {  164}
   (( segid "pupa" and resid 32   and name HA  ))
   (( segid "pupa" and resid 35   and name HG12))
      2.500     0.800     0.800 peak   164 spectrum    3 weight  0.11000E+01 volume  0.33959E-02 ppm1      4.274 ppm2      1.281 CV     1
 OR {  164}
   (( segid "pupa" and resid 32   and name HA  ))
   (( segid "pupa" and resid 35   and name HG11))
 ASSI {  166}
   (( segid "pupa" and resid 32   and name HA  ))
   (  segid "pupa" and resid 35   and name HD1%)
      3.300     1.400     1.400 peak   166 spectrum    3 weight  0.11000E+01 volume  0.94735E-03 ppm1      4.276 ppm2      0.570 CV     1
 ASSI {  168}
   (( segid "pupa" and resid 40   and name HB2 ))
   (  segid "pupa" and resid 16   and name HB% )
      3.200     3.200     2.800 peak   168 spectrum    3 weight  0.11000E+01 volume  0.17396E-02 ppm1      4.021 ppm2      1.475 CV     1
 ASSI {  169}
   (( segid "pupa" and resid 40   and name HB2 ))
   (  segid "pupa" and resid 56   and name HD2%)
      3.100     1.200     1.200 peak   169 spectrum    3 weight  0.11000E+01 volume  0.11648E-02 ppm1      4.022 ppm2      0.764 CV     1
 ASSI {  170}
   (( segid "pupa" and resid 40   and name HB2 ))
   (( segid "pupa" and resid 56   and name HG  ))
      3.500     1.500     1.500 peak   170 spectrum    3 weight  0.11000E+01 volume  0.55827E-03 ppm1      4.019 ppm2      1.770 CV     1
 ASSI {  171}
   (( segid "pupa" and resid 40   and name HB1 ))
   (  segid "pupa" and resid 13   and name HE% )
      3.100     3.100     2.900 peak   171 spectrum    3 weight  0.11000E+01 volume  0.12174E-02 ppm1      3.603 ppm2      1.904 CV     1
 ASSI {  172}
   (( segid "pupa" and resid 40   and name HB1 ))
   (  segid "pupa" and resid 16   and name HB% )
      2.700     2.700     3.300 peak   172 spectrum    3 weight  0.11000E+01 volume  0.31034E-02 ppm1      3.602 ppm2      1.475 CV     1
 ASSI {  173}
   (( segid "pupa" and resid 55   and name HA  ))
   (( segid "pupa" and resid 58   and name HB2 ))
      3.200     1.300     1.300 peak   173 spectrum    3 weight  0.11000E+01 volume  0.96659E-03 ppm1      3.609 ppm2      2.402 CV     1
 ASSI {  175}
   (( segid "pupa" and resid 55   and name HA  ))
   (( segid "pupa" and resid 55   and name HG12))
      2.400     0.700     0.700 peak   175 spectrum    3 weight  0.11000E+01 volume  0.55513E-02 ppm1      3.609 ppm2      1.694 CV     1
 ASSI {  176}
   (( segid "pupa" and resid 55   and name HA  ))
   (( segid "pupa" and resid 55   and name HB  ))
      2.700     0.900     0.900 peak   176 spectrum    3 weight  0.11000E+01 volume  0.33227E-02 ppm1      3.608 ppm2      1.590 CV     1
 ASSI {  177}
   (( segid "pupa" and resid 55   and name HA  ))
   (( segid "pupa" and resid 55   and name HG11))
      2.800     1.000     1.000 peak   177 spectrum    3 weight  0.11000E+01 volume  0.38145E-02 ppm1      3.608 ppm2      0.933 CV     1
 ASSI {  178}
   (( segid "pupa" and resid 55   and name HA  ))
   (  segid "pupa" and resid 55   and name HG2%)
      2.500     0.800     0.800 peak   178 spectrum    3 weight  0.11000E+01 volume  0.55849E-02 ppm1      3.608 ppm2      0.754 CV     1
 ASSI {  179}
   (( segid "pupa" and resid 55   and name HA  ))
   (  segid "pupa" and resid 55   and name HD1%)
      4.000     2.000     2.000 peak   179 spectrum    3 weight  0.11000E+01 volume  0.95828E-03 ppm1      3.609 ppm2      0.472 CV     1
 ASSI {  180}
   (( segid "pupa" and resid 41   and name HB1 ))
   (  segid "pupa" and resid 56   and name HD1%)
      4.000     4.000     2.000 peak   180 spectrum    3 weight  0.11000E+01 volume  0.49368E-03 ppm1      3.840 ppm2      0.755 CV     1
 ASSI {  181}
   (( segid "pupa" and resid 52   and name HA  ))
   (  segid "pupa" and resid 20   and name HD1%)
      3.000     3.000     3.000 peak   181 spectrum    3 weight  0.11000E+01 volume  0.37199E-02 ppm1      3.753 ppm2      0.588 CV     1
 ASSI {  182}
   (( segid "pupa" and resid 52   and name HA  ))
   (  segid "pupa" and resid 55   and name HD1%)
      4.100     4.100     1.900 peak   182 spectrum    3 weight  0.11000E+01 volume  0.32076E-03 ppm1      3.754 ppm2      0.477 CV     1
 ASSI {  184}
   (( segid "pupa" and resid 52   and name HA  ))
   (  segid "pupa" and resid 43   and name HD2%)
      2.900     1.100     1.100 peak   184 spectrum    3 weight  0.11000E+01 volume  0.24113E-02 ppm1      3.748 ppm2      0.803 CV     1
 ASSI {  185}
   (( segid "pupa" and resid 9    and name HA  ))
   (  segid "pupa" and resid 10   and name HB% )
      3.300     1.400     1.400 peak   185 spectrum    3 weight  0.11000E+01 volume  0.31020E-02 ppm1      4.333 ppm2      1.366 CV     1
 ASSI {  186}
   (( segid "pupa" and resid 9    and name HA  ))
   (( segid "pupa" and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak   186 spectrum    3 weight  0.11000E+01 volume  0.57151E-02 ppm1      4.329 ppm2      2.345 CV     1
 ASSI {  187}
   (( segid "pupa" and resid 9    and name HA  ))
   (( segid "pupa" and resid 9    and name HG2 ))
      4.100     2.100     1.900 peak   187 spectrum    3 weight  0.11000E+01 volume  0.94210E-03 ppm1      4.328 ppm2      1.941 CV     1
 ASSI {  188}
   (( segid "pupa" and resid 9    and name HA  ))
   (( segid "pupa" and resid 9    and name HB1 ))
      2.400     0.700     0.700 peak   188 spectrum    3 weight  0.11000E+01 volume  0.35654E-02 ppm1      4.329 ppm2      1.826 CV     1
 ASSI {  189}
   (( segid "pupa" and resid 52   and name HB2 ))
   (  segid "pupa" and resid 43   and name HD2%)
      3.000     3.000     3.000 peak   189 spectrum    3 weight  0.11000E+01 volume  0.24733E-02 ppm1      3.983 ppm2      0.790 CV     1
 ASSI {  192}
   (( segid "pupa" and resid 52   and name HB1 ))
   (  segid "pupa" and resid 43   and name HD1%)
      3.200     3.200     2.800 peak   192 spectrum    3 weight  0.11000E+01 volume  0.18676E-02 ppm1      3.430 ppm2      0.568 CV     1
 ASSI {  193}
   (( segid "pupa" and resid 15   and name HA  ))
   (( segid "pupa" and resid 18   and name HB1 ))
      2.500     0.800     0.800 peak   193 spectrum    3 weight  0.11000E+01 volume  0.50353E-02 ppm1      4.188 ppm2      2.099 CV     1
 OR {  193}
   (( segid "pupa" and resid 15   and name HA  ))
   (( segid "pupa" and resid 18   and name HB2 ))
 ASSI {  194}
   (( segid "pupa" and resid 50   and name HA  ))
   (( segid "pupa" and resid 50   and name HG1 ))
      3.100     1.200     1.200 peak   194 spectrum    3 weight  0.11000E+01 volume  0.19640E-02 ppm1      3.802 ppm2      2.559 CV     1
 OR {  194}
   (( segid "pupa" and resid 50   and name HA  ))
   (( segid "pupa" and resid 50   and name HG2 ))
 ASSI {  195}
   (( segid "pupa" and resid 50   and name HA  ))
   (( segid "pupa" and resid 50   and name HB1 ))
      2.400     0.700     0.700 peak   195 spectrum    3 weight  0.11000E+01 volume  0.62767E-02 ppm1      3.802 ppm2      2.220 CV     1
 OR {  195}
   (( segid "pupa" and resid 50   and name HA  ))
   (( segid "pupa" and resid 50   and name HB2 ))
 ASSI {  196}
   (( segid "pupa" and resid 50   and name HA  ))
   (( segid "pupa" and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   196 spectrum    3 weight  0.11000E+01 volume  0.33832E-02 ppm1      3.801 ppm2      0.995 CV     1
 ASSI {  198}
   (( segid "pupa" and resid 50   and name HA  ))
   (( segid "pupa" and resid 53   and name HB1 ))
      6.000     4.400     0.000 peak   198 spectrum    3 weight  0.11000E+01 volume  0.13067E-03 ppm1      3.803 ppm2      0.220 CV     1
 ASSI {  199}
   (( segid "pupa" and resid 54   and name HA  ))
   (( segid "pupa" and resid 54   and name HB1 ))
      2.800     1.000     1.000 peak   199 spectrum    3 weight  0.11000E+01 volume  0.30363E-02 ppm1      3.899 ppm2      1.976 CV     1
 ASSI {  200}
   (( segid "pupa" and resid 54   and name HA  ))
   (( segid "pupa" and resid 54   and name HG2 ))
      2.700     0.900     0.900 peak   200 spectrum    3 weight  0.11000E+01 volume  0.33762E-02 ppm1      3.900 ppm2      1.878 CV     1
 ASSI {  201}
   (( segid "pupa" and resid 54   and name HA  ))
   (( segid "pupa" and resid 54   and name HG1 ))
      3.200     1.300     1.300 peak   201 spectrum    3 weight  0.11000E+01 volume  0.12568E-02 ppm1      3.899 ppm2      1.660 CV     1
 ASSI {  202}
   (( segid "pupa" and resid 54   and name HA  ))
   (( segid "pupa" and resid 54   and name HB2 ))
      2.500     0.800     0.800 peak   202 spectrum    3 weight  0.11000E+01 volume  0.48677E-02 ppm1      3.899 ppm2      2.069 CV     1
 ASSI {  203}
   (( segid "pupa" and resid 33   and name HA  ))
   (( segid "pupa" and resid 33   and name HG1 ))
      2.700     0.900     0.900 peak   203 spectrum    3 weight  0.11000E+01 volume  0.43640E-02 ppm1      4.118 ppm2      2.325 CV     1
 OR {  203}
   (( segid "pupa" and resid 33   and name HA  ))
   (( segid "pupa" and resid 33   and name HG2 ))
 ASSI {  204}
   (( segid "pupa" and resid 49   and name HA  ))
   (  segid "pupa" and resid 49   and name HD2%)
      3.300     1.300     1.300 peak   204 spectrum    3 weight  0.11000E+01 volume  0.24596E-02 ppm1      4.095 ppm2      0.861 CV     1
 ASSI {  206}
   (( segid "pupa" and resid 18   and name HA  ))
   (( segid "pupa" and resid 18   and name HG1 ))
      2.700     0.900     0.900 peak   206 spectrum    3 weight  0.11000E+01 volume  0.33612E-02 ppm1      4.066 ppm2      2.500 CV     1
 ASSI {  208}
   (( segid "pupa" and resid 56   and name HA  ))
   (( segid "pupa" and resid 55   and name HB  ))
      2.500     2.500     3.500 peak   208 spectrum    3 weight  0.11000E+01 volume  0.69277E-02 ppm1      4.068 ppm2      1.562 CV     1
 ASSI {  209}
   (( segid "pupa" and resid 22   and name HA  ))
   (( segid "pupa" and resid 22   and name HB1 ))
      2.000     0.500     0.500 peak   209 spectrum    3 weight  0.11000E+01 volume  0.21930E-01 ppm1      4.112 ppm2      1.992 CV     1
 ASSI {  210}
   (( segid "pupa" and resid 22   and name HA  ))
   (( segid "pupa" and resid 22   and name HG2 ))
      2.400     0.700     0.700 peak   210 spectrum    3 weight  0.11000E+01 volume  0.65947E-02 ppm1      4.103 ppm2      1.547 CV     1
 OR {  210}
   (( segid "pupa" and resid 22   and name HA  ))
   (( segid "pupa" and resid 22   and name HG1 ))
 ASSI {  211}
   (( segid "pupa" and resid 23   and name HA  ))
   (( segid "pupa" and resid 23   and name HG2 ))
      2.700     0.900     0.900 peak   211 spectrum    3 weight  0.11000E+01 volume  0.38379E-02 ppm1      4.069 ppm2      2.657 CV     1
 ASSI {  212}
   (( segid "pupa" and resid 23   and name HA  ))
   (( segid "pupa" and resid 23   and name HG1 ))
      2.600     0.800     0.800 peak   212 spectrum    3 weight  0.11000E+01 volume  0.46476E-02 ppm1      4.072 ppm2      2.360 CV     1
 ASSI {  213}
   (( segid "pupa" and resid 23   and name HA  ))
   (( segid "pupa" and resid 23   and name HB2 ))
      2.200     0.600     0.600 peak   213 spectrum    3 weight  0.11000E+01 volume  0.15522E-01 ppm1      4.068 ppm2      2.104 CV     1
 ASSI {  214}
   (( segid "pupa" and resid 58   and name HA  ))
   (( segid "pupa" and resid 58   and name HG2 ))
      3.500     1.600     1.600 peak   214 spectrum    3 weight  0.11000E+01 volume  0.11929E-02 ppm1      4.263 ppm2      2.619 CV     1
 ASSI {  215}
   (( segid "pupa" and resid 58   and name HA  ))
   (( segid "pupa" and resid 58   and name HB2 ))
      2.400     0.700     0.700 peak   215 spectrum    3 weight  0.11000E+01 volume  0.49513E-02 ppm1      4.263 ppm2      2.397 CV     1
 ASSI {  216}
   (( segid "pupa" and resid 58   and name HA  ))
   (( segid "pupa" and resid 58   and name HB1 ))
      2.900     1.000     1.000 peak   216 spectrum    3 weight  0.11000E+01 volume  0.34790E-02 ppm1      4.263 ppm2      2.256 CV     1
 ASSI {  217}
   (( segid "pupa" and resid 20   and name HA  ))
   (( segid "pupa" and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   217 spectrum    3 weight  0.11000E+01 volume  0.18348E-02 ppm1      3.648 ppm2      1.849 CV     1
 ASSI {  218}
   (( segid "pupa" and resid 20   and name HA  ))
   (( segid "pupa" and resid 23   and name HB1 ))
      4.300     2.400     1.700 peak   218 spectrum    3 weight  0.11000E+01 volume  0.69583E-03 ppm1      3.648 ppm2      1.716 CV     1
 ASSI {  219}
   (( segid "pupa" and resid 20   and name HA  ))
   (( segid "pupa" and resid 8    and name HG12))
      4.100     2.100     1.900 peak   219 spectrum    3 weight  0.11000E+01 volume  0.34542E-03 ppm1      3.646 ppm2      1.539 CV     1
 ASSI {  220}
   (( segid "pupa" and resid 20   and name HA  ))
   (( segid "pupa" and resid 20   and name HB1 ))
      2.700     0.900     0.900 peak   220 spectrum    3 weight  0.11000E+01 volume  0.44394E-02 ppm1      3.648 ppm2      1.194 CV     1
 ASSI {  221}
   (( segid "pupa" and resid 20   and name HA  ))
   (  segid "pupa" and resid 6    and name HD1%)
      4.400     4.400     1.600 peak   221 spectrum    3 weight  0.11000E+01 volume  0.27987E-03 ppm1      3.648 ppm2      0.862 CV     1
 ASSI {  223}
   (( segid "pupa" and resid 20   and name HA  ))
   (  segid "pupa" and resid 20   and name HD1%)
      2.500     0.800     0.800 peak   223 spectrum    3 weight  0.11000E+01 volume  0.58814E-02 ppm1      3.647 ppm2      0.553 CV     1
 ASSI {  224}
   (( segid "pupa" and resid 20   and name HA  ))
   (( segid "pupa" and resid 20   and name HG  ))
      3.100     1.200     1.200 peak   224 spectrum    3 weight  0.11000E+01 volume  0.14165E-02 ppm1      3.645 ppm2      1.102 CV     1
 ASSI {  225}
   (( segid "pupa" and resid 17   and name HA  ))
   (( segid "pupa" and resid 17   and name HB1 ))
      2.500     0.800     0.800 peak   225 spectrum    3 weight  0.11000E+01 volume  0.34884E-02 ppm1      3.809 ppm2      1.015 CV     1
 ASSI {  226}
   (( segid "pupa" and resid 17   and name HA  ))
   (  segid "pupa" and resid 28   and name HD1%)
      3.300     1.400     1.400 peak   226 spectrum    3 weight  0.11000E+01 volume  0.11821E-02 ppm1      3.810 ppm2      0.766 CV     1
 ASSI {  227}
   (( segid "pupa" and resid 53   and name HA  ))
   (( segid "pupa" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak   227 spectrum    3 weight  0.11000E+01 volume  0.21081E-02 ppm1      3.494 ppm2      1.771 CV     1
 ASSI {  228}
   (( segid "pupa" and resid 53   and name HA  ))
   (( segid "pupa" and resid 53   and name HG  ))
      2.700     0.900     0.900 peak   228 spectrum    3 weight  0.11000E+01 volume  0.35442E-02 ppm1      3.493 ppm2      1.278 CV     1
 ASSI {  229}
   (( segid "pupa" and resid 53   and name HA  ))
   (( segid "pupa" and resid 53   and name HB2 ))
      3.200     1.300     1.300 peak   229 spectrum    3 weight  0.11000E+01 volume  0.17965E-02 ppm1      3.494 ppm2      1.017 CV     1
 ASSI {  230}
   (( segid "pupa" and resid 53   and name HA  ))
   (  segid "pupa" and resid 56   and name HD1%)
      3.100     1.200     1.200 peak   230 spectrum    3 weight  0.11000E+01 volume  0.23200E-02 ppm1      3.494 ppm2      0.733 CV     1
 ASSI {  231}
   (( segid "pupa" and resid 53   and name HA  ))
   (  segid "pupa" and resid 20   and name HD1%)
      4.100     4.100     1.900 peak   231 spectrum    3 weight  0.11000E+01 volume  0.49156E-03 ppm1      3.495 ppm2      0.547 CV     1
 ASSI {  232}
   (( segid "pupa" and resid 53   and name HA  ))
   (  segid "pupa" and resid 53   and name HD2%)
      2.400     2.400     3.600 peak   232 spectrum    3 weight  0.11000E+01 volume  0.63485E-02 ppm1      3.494 ppm2      0.369 CV     1
 ASSI {  233}
   (( segid "pupa" and resid 53   and name HA  ))
   (( segid "pupa" and resid 53   and name HB1 ))
      2.600     0.800     0.800 peak   233 spectrum    3 weight  0.11000E+01 volume  0.30426E-02 ppm1      3.493 ppm2      0.219 CV     1
 ASSI {  234}
   (( segid "pupa" and resid 14   and name HA  ))
   (( segid "pupa" and resid 14   and name HB2 ))
      2.400     0.700     0.700 peak   234 spectrum    3 weight  0.11000E+01 volume  0.68677E-02 ppm1      4.008 ppm2      2.830 CV     1
 ASSI {  235}
   (( segid "pupa" and resid 14   and name HA  ))
   (( segid "pupa" and resid 17   and name HB2 ))
      3.000     1.100     1.100 peak   235 spectrum    3 weight  0.11000E+01 volume  0.12707E-02 ppm1      4.008 ppm2      1.628 CV     1
 ASSI {  236}
   (( segid "pupa" and resid 14   and name HA  ))
   (  segid "pupa" and resid 35   and name HG2%)
      4.000     4.000     2.000 peak   236 spectrum    3 weight  0.11000E+01 volume  0.61269E-03 ppm1      4.009 ppm2      0.692 CV     1
 ASSI {  237}
   (( segid "pupa" and resid 14   and name HA  ))
   (  segid "pupa" and resid 35   and name HD1%)
      2.600     2.600     3.400 peak   237 spectrum    3 weight  0.11000E+01 volume  0.44207E-02 ppm1      4.008 ppm2      0.569 CV     1
 ASSI {  239}
   (( segid "pupa" and resid 17   and name HA  ))
   (( segid "pupa" and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   239 spectrum    3 weight  0.11000E+01 volume  0.22116E-02 ppm1      3.809 ppm2      1.847 CV     1
 ASSI {  240}
   (( segid "pupa" and resid 17   and name HA  ))
   (  segid "pupa" and resid 17   and name HD2%)
      2.300     0.700     0.700 peak   240 spectrum    3 weight  0.11000E+01 volume  0.69189E-02 ppm1      3.810 ppm2      0.502 CV     1
 ASSI {  242}
   (( segid "pupa" and resid 17   and name HA  ))
   (( segid "pupa" and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak   242 spectrum    3 weight  0.11000E+01 volume  0.33592E-02 ppm1      3.808 ppm2      1.613 CV     1
 ASSI {  243}
   (( segid "pupa" and resid 17   and name HA  ))
   (( segid "pupa" and resid 20   and name HB1 ))
      3.300     1.400     1.400 peak   243 spectrum    3 weight  0.11000E+01 volume  0.87282E-03 ppm1      3.806 ppm2      1.197 CV     1
 ASSI {  244}
   (( segid "pupa" and resid 13   and name HA  ))
   (( segid "pupa" and resid 13   and name HG1 ))
      2.900     1.100     1.100 peak   244 spectrum    3 weight  0.11000E+01 volume  0.21593E-02 ppm1      4.319 ppm2      2.176 CV     1
 OR {  244}
   (( segid "pupa" and resid 13   and name HA  ))
   (( segid "pupa" and resid 13   and name HG2 ))
 ASSI {  245}
   (( segid "pupa" and resid 13   and name HA  ))
   (( segid "pupa" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   245 spectrum    3 weight  0.11000E+01 volume  0.24248E-02 ppm1      4.318 ppm2      2.027 CV     1
 ASSI {  246}
   (( segid "pupa" and resid 13   and name HA  ))
   (  segid "pupa" and resid 13   and name HE% )
      3.300     3.300     2.700 peak   246 spectrum    3 weight  0.11000E+01 volume  0.14305E-02 ppm1      4.320 ppm2      1.912 CV     1
 ASSI {  247}
   (( segid "pupa" and resid 13   and name HA  ))
   (( segid "pupa" and resid 13   and name HB1 ))
      2.600     0.800     0.800 peak   247 spectrum    3 weight  0.11000E+01 volume  0.40943E-02 ppm1      4.318 ppm2      1.633 CV     1
 ASSI {  248}
   (( segid "pupa" and resid 13   and name HA  ))
   (  segid "pupa" and resid 16   and name HB% )
      2.500     2.500     3.500 peak   248 spectrum    3 weight  0.11000E+01 volume  0.45904E-02 ppm1      4.320 ppm2      1.482 CV     1
 ASSI {  249}
   (( segid "pupa" and resid 2    and name HA  ))
   (( segid "pupa" and resid 2    and name HB2 ))
      2.600     0.800     0.800 peak   249 spectrum    3 weight  0.11000E+01 volume  0.42749E-02 ppm1      3.911 ppm2      1.780 CV     1
 ASSI {  250}
   (( segid "pupa" and resid 2    and name HA  ))
   (( segid "pupa" and resid 2    and name HG2 ))
      2.900     1.100     1.100 peak   250 spectrum    3 weight  0.11000E+01 volume  0.29776E-02 ppm1      3.910 ppm2      1.668 CV     1
 ASSI {  258}
   (( segid "pupa" and resid 16   and name HA  ))
   (  segid "pupa" and resid 56   and name HD1%)
      5.000     5.000     1.000 peak   258 spectrum    3 weight  0.11000E+01 volume  0.21124E-03 ppm1      3.811 ppm2      0.740 CV     1
 ASSI {  259}
   (( segid "pupa" and resid 54   and name HD2 ))
   (( segid "pupa" and resid 54   and name HG2 ))
      2.500     0.800     0.800 peak   259 spectrum    3 weight  0.11000E+01 volume  0.51905E-02 ppm1      3.308 ppm2      1.875 CV     1
 OR {  259}
   (( segid "pupa" and resid 54   and name HD1 ))
   (( segid "pupa" and resid 54   and name HG2 ))
 ASSI {  260}
   (( segid "pupa" and resid 54   and name HD1 ))
   (( segid "pupa" and resid 54   and name HG1 ))
      2.600     0.800     0.800 peak   260 spectrum    3 weight  0.11000E+01 volume  0.40761E-02 ppm1      3.303 ppm2      1.668 CV     1
 OR {  260}
   (( segid "pupa" and resid 54   and name HD2 ))
   (( segid "pupa" and resid 54   and name HG1 ))
 ASSI {  261}
   (( segid "pupa" and resid 63   and name HD2 ))
   (( segid "pupa" and resid 63   and name HB2 ))
      2.600     2.600     3.400 peak   261 spectrum    3 weight  0.11000E+01 volume  0.47695E-02 ppm1      3.085 ppm2      1.703 CV     1
 OR {  261}
   (( segid "pupa" and resid 63   and name HD1 ))
   (( segid "pupa" and resid 63   and name HB1 ))
 OR {  261}
   (( segid "pupa" and resid 63   and name HD2 ))
   (( segid "pupa" and resid 63   and name HB1 ))
 OR {  261}
   (( segid "pupa" and resid 63   and name HD1 ))
   (( segid "pupa" and resid 63   and name HB2 ))
 ASSI {  262}
   (( segid "pupa" and resid 63   and name HD1 ))
   (( segid "pupa" and resid 63   and name HG2 ))
      2.200     2.200     3.800 peak   262 spectrum    3 weight  0.11000E+01 volume  0.10497E-01 ppm1      3.085 ppm2      1.506 CV     1
 OR {  262}
   (( segid "pupa" and resid 63   and name HD2 ))
   (( segid "pupa" and resid 63   and name HG1 ))
 OR {  262}
   (( segid "pupa" and resid 63   and name HD2 ))
   (( segid "pupa" and resid 63   and name HG2 ))
 OR {  262}
   (( segid "pupa" and resid 63   and name HD1 ))
   (( segid "pupa" and resid 63   and name HG1 ))
 ASSI {  263}
   (( segid "pupa" and resid 46   and name HD2 ))
   (( segid "pupa" and resid 46   and name HB2 ))
      2.800     1.000     1.000 peak   263 spectrum    3 weight  0.11000E+01 volume  0.30505E-02 ppm1      2.993 ppm2      1.604 CV     1
 OR {  263}
   (( segid "pupa" and resid 46   and name HD1 ))
   (( segid "pupa" and resid 46   and name HB2 ))
 ASSI {  264}
   (( segid "pupa" and resid 46   and name HD2 ))
   (( segid "pupa" and resid 46   and name HB1 ))
      2.700     0.900     0.900 peak   264 spectrum    3 weight  0.11000E+01 volume  0.37812E-02 ppm1      2.994 ppm2      1.473 CV     1
 OR {  264}
   (( segid "pupa" and resid 46   and name HD1 ))
   (( segid "pupa" and resid 46   and name HB1 ))
 ASSI {  265}
   (( segid "pupa" and resid 46   and name HD1 ))
   (( segid "pupa" and resid 46   and name HG1 ))
      2.300     0.700     0.700 peak   265 spectrum    3 weight  0.11000E+01 volume  0.76711E-02 ppm1      2.993 ppm2      1.293 CV     1
 OR {  265}
   (( segid "pupa" and resid 46   and name HD1 ))
   (( segid "pupa" and resid 46   and name HG2 ))
 OR {  265}
   (( segid "pupa" and resid 46   and name HD2 ))
   (( segid "pupa" and resid 46   and name HG1 ))
 OR {  265}
   (( segid "pupa" and resid 46   and name HD2 ))
   (( segid "pupa" and resid 46   and name HG2 ))
 ASSI {  266}
   (( segid "pupa" and resid 39   and name HD2 ))
   (( segid "pupa" and resid 39   and name HB2 ))
      3.600     1.700     1.700 peak   266 spectrum    3 weight  0.11000E+01 volume  0.61839E-03 ppm1      3.172 ppm2      1.806 CV     1
 ASSI {  267}
   (( segid "pupa" and resid 39   and name HD2 ))
   (( segid "pupa" and resid 39   and name HB1 ))
      2.500     0.800     0.800 peak   267 spectrum    3 weight  0.11000E+01 volume  0.45474E-02 ppm1      3.173 ppm2      1.579 CV     1
 ASSI {  268}
   (( segid "pupa" and resid 22   and name HE1 ))
   (( segid "pupa" and resid 22   and name HD2 ))
      2.700     0.900     0.900 peak   268 spectrum    3 weight  0.11000E+01 volume  0.33303E-02 ppm1      3.007 ppm2      1.729 CV     1
 OR {  268}
   (( segid "pupa" and resid 22   and name HE2 ))
   (( segid "pupa" and resid 22   and name HD2 ))
 ASSI {  269}
   (( segid "pupa" and resid 22   and name HE1 ))
   (( segid "pupa" and resid 22   and name HD1 ))
      2.800     1.000     1.000 peak   269 spectrum    3 weight  0.11000E+01 volume  0.23758E-02 ppm1      3.005 ppm2      1.526 CV     1
 OR {  269}
   (( segid "pupa" and resid 22   and name HE2 ))
   (( segid "pupa" and resid 22   and name HD1 ))
 ASSI {  270}
   (( segid "pupa" and resid 44   and name HE1 ))
   (( segid "pupa" and resid 44   and name HD2 ))
      2.700     0.900     0.900 peak   270 spectrum    3 weight  0.11000E+01 volume  0.30881E-02 ppm1      2.921 ppm2      1.659 CV     1
 OR {  270}
   (( segid "pupa" and resid 44   and name HE2 ))
   (( segid "pupa" and resid 44   and name HD1 ))
 OR {  270}
   (( segid "pupa" and resid 44   and name HE2 ))
   (( segid "pupa" and resid 44   and name HD2 ))
 OR {  270}
   (( segid "pupa" and resid 44   and name HE1 ))
   (( segid "pupa" and resid 44   and name HD1 ))
 ASSI {  271}
   (( segid "pupa" and resid 44   and name HE1 ))
   (( segid "pupa" and resid 44   and name HG2 ))
      2.800     1.000     1.000 peak   271 spectrum    3 weight  0.11000E+01 volume  0.31028E-02 ppm1      2.921 ppm2      1.391 CV     1
 OR {  271}
   (( segid "pupa" and resid 44   and name HE2 ))
   (( segid "pupa" and resid 44   and name HG2 ))
 OR {  271}
   (( segid "pupa" and resid 44   and name HE2 ))
   (( segid "pupa" and resid 44   and name HG1 ))
 OR {  271}
   (( segid "pupa" and resid 44   and name HE1 ))
   (( segid "pupa" and resid 44   and name HG1 ))
 ASSI {  272}
   (( segid "pupa" and resid 64   and name HB2 ))
   (  segid "pupa" and resid 53   and name HD2%)
      6.000     6.000     0.000 peak   272 spectrum    3 weight  0.11000E+01 volume  0.18729E-04 ppm1      2.627 ppm2      0.374 CV     1
 ASSI {  273}
   ( segid "pupa" and resid 64   and name HB2 )
   (  segid "pupa" and resid 71   and name HG1%)
      2.300     2.300     3.700 peak   273 spectrum    3 weight  0.11000E+01 volume  0.65922E-02 ppm1      2.617 ppm2      0.824 CV     1
 ASSI {  274}
   (( segid "pupa" and resid 34   and name HB2 ))
   (  segid "pupa" and resid 35   and name HG2%)
      3.300     1.400     1.400 peak   274 spectrum    3 weight  0.11000E+01 volume  0.15222E-02 ppm1      3.001 ppm2      0.706 CV     1
 ASSI {  275}
   (( segid "pupa" and resid 48   and name HB1 ))
   (( segid "pupa" and resid 3    and name HG1 ))
      3.800     1.800     1.800 peak   275 spectrum    3 weight  0.11000E+01 volume  0.14220E-02 ppm1      2.747 ppm2      1.863 CV     1
 ASSI {  277}
   (( segid "pupa" and resid 30   and name HB2 ))
   (  segid "pupa" and resid 73   and name HG2%)
      4.400     2.400     1.600 peak   277 spectrum    3 weight  0.11000E+01 volume  0.45762E-03 ppm1      3.315 ppm2      0.829 CV     1
 ASSI {  278}
   (( segid "pupa" and resid 30   and name HB2 ))
   (( segid "pupa" and resid 73   and name HB  ))
      3.000     1.100     1.100 peak   278 spectrum    3 weight  0.11000E+01 volume  0.33102E-02 ppm1      3.311 ppm2      1.974 CV     1
 ASSI {  279}
   (( segid "pupa" and resid 30   and name HB1 ))
   (( segid "pupa" and resid 73   and name HB  ))
      2.700     0.900     0.900 peak   279 spectrum    3 weight  0.11000E+01 volume  0.20695E-02 ppm1      2.760 ppm2      1.975 CV     1
 ASSI {  280}
   (( segid "pupa" and resid 14   and name HB2 ))
   (  segid "pupa" and resid 35   and name HD1%)
      2.900     2.900     3.100 peak   280 spectrum    3 weight  0.11000E+01 volume  0.98577E-03 ppm1      2.837 ppm2      0.573 CV     1
 ASSI {  281}
   (( segid "pupa" and resid 14   and name HB1 ))
   (  segid "pupa" and resid 35   and name HD1%)
      2.700     2.700     3.300 peak   281 spectrum    3 weight  0.11000E+01 volume  0.17580E-02 ppm1      2.783 ppm2      0.570 CV     1
 ASSI {  282}
   (( segid "pupa" and resid 47   and name HB1 ))
   (  segid "pupa" and resid 6    and name HD1%)
      3.400     3.400     2.600 peak   282 spectrum    3 weight  0.11000E+01 volume  0.15916E-02 ppm1      2.844 ppm2      0.880 CV     1
 ASSI {  283}
   (( segid "pupa" and resid 23   and name HG2 ))
   (( segid "pupa" and resid 23   and name HB1 ))
      2.600     0.900     0.900 peak   283 spectrum    3 weight  0.11000E+01 volume  0.21714E-02 ppm1      2.659 ppm2      1.712 CV     1
 ASSI {  284}
   (( segid "pupa" and resid 50   and name HG1 ))
   (  segid "pupa" and resid 66   and name HD1%)
      3.200     1.300     1.300 peak   284 spectrum    3 weight  0.11000E+01 volume  0.13619E-02 ppm1      2.563 ppm2      0.990 CV     1
 OR {  284}
   (( segid "pupa" and resid 50   and name HG2 ))
   (  segid "pupa" and resid 66   and name HD1%)
 ASSI {  285}
   (( segid "pupa" and resid 4    and name HB1 ))
   (( segid "pupa" and resid 6    and name HG  ))
      3.100     1.200     1.200 peak   285 spectrum    3 weight  0.11000E+01 volume  0.10108E-02 ppm1      3.167 ppm2      1.612 CV     1
 ASSI {  286}
   (( segid "pupa" and resid 4    and name HB1 ))
   (  segid "pupa" and resid 6    and name HD2%)
      3.000     1.100     1.100 peak   286 spectrum    3 weight  0.11000E+01 volume  0.12295E-02 ppm1      3.163 ppm2      0.732 CV     1
 ASSI {  287}
   (( segid "pupa" and resid 4    and name HB2 ))
   (  segid "pupa" and resid 6    and name HD1%)
      4.700     2.800     1.300 peak   287 spectrum    3 weight  0.11000E+01 volume  0.48319E-03 ppm1      2.816 ppm2      0.882 CV     1
 ASSI {  287}
   (( segid "pupa" and resid 4    and name HB2 ))
   (  segid "pupa" and resid 6    and name HD2%)
      3.000     1.100     1.100 peak   286 spectrum    3 weight  0.11000E+01 volume  0.12295E-02 ppm1      2.815 ppm2      0.732 CV     1
 ASSI {  289}
   (( segid "pupa" and resid 4    and name HB2 ))
   (( segid "pupa" and resid 6    and name HG  ))
      3.700     1.800     1.800 peak   289 spectrum    3 weight  0.11000E+01 volume  0.11155E-02 ppm1      2.814 ppm2      1.623 CV     1
 ASSI {  290}
   (( segid "pupa" and resid 24   and name HB  ))
   (  segid "pupa" and resid 26   and name HG2%)
      3.100     1.200     1.200 peak   290 spectrum    3 weight  0.11000E+01 volume  0.16937E-02 ppm1      2.849 ppm2      0.981 CV     1
 ASSI {  291}
   (( segid "pupa" and resid 24   and name HB  ))
   (  segid "pupa" and resid 49   and name HD2%)
      4.400     2.400     1.600 peak   291 spectrum    3 weight  0.11000E+01 volume  0.23108E-03 ppm1      2.849 ppm2      0.874 CV     1
 ASSI {  292}
   (( segid "pupa" and resid 24   and name HB  ))
   (  segid "pupa" and resid 49   and name HD1%)
      3.500     1.500     1.500 peak   292 spectrum    3 weight  0.11000E+01 volume  0.85082E-03 ppm1      2.851 ppm2      0.748 CV     1
 ASSI {  293}
   (( segid "pupa" and resid 24   and name HB  ))
   (  segid "pupa" and resid 24   and name HG2%)
      2.400     0.700     0.700 peak   293 spectrum    3 weight  0.11000E+01 volume  0.62667E-02 ppm1      2.850 ppm2     -0.078 CV     1
 ASSI {  294}
   (( segid "pupa" and resid 24   and name HA  ))
   (  segid "pupa" and resid 24   and name HG2%)
      2.500     0.800     0.800 peak   294 spectrum    3 weight  0.11000E+01 volume  0.53933E-02 ppm1      3.226 ppm2     -0.079 CV     1
 ASSI {  296}
   (( segid "pupa" and resid 32   and name HD2 ))
   (( segid "pupa" and resid 31   and name HA  ))
      2.600     0.800     0.800 peak   296 spectrum    3 weight  0.11000E+01 volume  0.51071E-02 ppm1      4.001 ppm2      5.109 CV     1
 ASSI {  297}
   (( segid "pupa" and resid 32   and name HD1 ))
   (( segid "pupa" and resid 31   and name HA  ))
      2.300     0.600     0.600 peak   297 spectrum    3 weight  0.11000E+01 volume  0.57648E-02 ppm1      3.915 ppm2      5.108 CV     1
 ASSI {  302}
   (( segid "pupa" and resid 46   and name HD2 ))
   (( segid "pupa" and resid 46   and name HA  ))
      3.900     1.900     1.900 peak   302 spectrum    3 weight  0.11000E+01 volume  0.13633E-02 ppm1      2.993 ppm2      5.284 CV     1
 OR {  302}
   (( segid "pupa" and resid 46   and name HD1 ))
   (( segid "pupa" and resid 46   and name HA  ))
 ASSI {  331}
   (( segid "pupa" and resid 72   and name HB  ))
   (( segid "pupa" and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   331 spectrum    3 weight  0.11000E+01 volume  0.18144E-02 ppm1      3.952 ppm2      5.314 CV     1
 ASSI {  332}
   (( segid "pupa" and resid 27   and name HB2 ))
   (( segid "pupa" and resid 70   and name HA  ))
      3.600     1.600     1.600 peak   332 spectrum    3 weight  0.11000E+01 volume  0.12720E-02 ppm1      2.061 ppm2      5.137 CV     1
 ASSI {  333}
   (( segid "pupa" and resid 27   and name HB1 ))
   (( segid "pupa" and resid 70   and name HA  ))
      2.900     1.100     1.100 peak   333 spectrum    3 weight  0.11000E+01 volume  0.14557E-02 ppm1      1.999 ppm2      5.129 CV     1
 ASSI {  334}
   (( segid "pupa" and resid 28   and name HG  ))
   (( segid "pupa" and resid 28   and name HA  ))
      3.700     1.700     1.700 peak   334 spectrum    3 weight  0.11000E+01 volume  0.49912E-03 ppm1      1.727 ppm2      5.203 CV     1
 ASSI {  335}
   (( segid "pupa" and resid 39   and name HG1 ))
   (( segid "pupa" and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   335 spectrum    3 weight  0.11000E+01 volume  0.37362E-02 ppm1      1.579 ppm2      4.872 CV     1
 OR {  335}
   (( segid "pupa" and resid 39   and name HG2 ))
   (( segid "pupa" and resid 39   and name HA  ))
 ASSI {  338}
   (  segid "pupa" and resid 28   and name HD1%)
   (( segid "pupa" and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   338 spectrum    3 weight  0.11000E+01 volume  0.18988E-02 ppm1      0.786 ppm2      5.201 CV     1
 ASSI {  343}
   (( segid "pupa" and resid 31   and name HB2 ))
   (( segid "pupa" and resid 31   and name HA  ))
      2.600     0.900     0.900 peak   343 spectrum    3 weight  0.11000E+01 volume  0.37621E-02 ppm1      3.973 ppm2      5.109 CV     1
 ASSI {  344}
   (( segid "pupa" and resid 31   and name HB1 ))
   (( segid "pupa" and resid 31   and name HA  ))
      2.600     0.900     0.900 peak   344 spectrum    3 weight  0.11000E+01 volume  0.36927E-02 ppm1      3.937 ppm2      5.109 CV     1
 ASSI {  346}
   (  segid "pupa" and resid 26   and name HG2%)
   (( segid "pupa" and resid 69   and name HA  ))
      3.200     1.300     1.300 peak   346 spectrum    3 weight  0.11000E+01 volume  0.12290E-02 ppm1      0.984 ppm2      4.908 CV     1
 ASSI {  347}
   (  segid "pupa" and resid 73   and name HG1%)
   (( segid "pupa" and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   347 spectrum    3 weight  0.11000E+01 volume  0.30824E-02 ppm1      0.891 ppm2      5.106 CV     1
 ASSI {  350}
   (  segid "pupa" and resid 71   and name HG1%)
   (( segid "pupa" and resid 71   and name HA  ))
      2.600     0.900     0.900 peak   350 spectrum    3 weight  0.11000E+01 volume  0.36169E-02 ppm1      0.816 ppm2      4.906 CV     1
 ASSI {  351}
   (( segid "pupa" and resid 66   and name HA  ))
   (( segid "pupa" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   351 spectrum    3 weight  0.11000E+01 volume  0.47953E-02 ppm1      4.543 ppm2      4.911 CV     1
 ASSI {  352}
   (  segid "pupa" and resid 73   and name HG2%)
   (( segid "pupa" and resid 64   and name HA  ))
      3.300     1.400     1.400 peak   352 spectrum    3 weight  0.11000E+01 volume  0.11265E-02 ppm1      0.821 ppm2      5.927 CV     1
 ASSI {  353}
   (  segid "pupa" and resid 73   and name HG2%)
   (( segid "pupa" and resid 72   and name HA  ))
      4.700     2.700     1.300 peak   353 spectrum    3 weight  0.11000E+01 volume  0.23094E-03 ppm1      0.819 ppm2      5.321 CV     1
 ASSI {  355}
   (  segid "pupa" and resid 72   and name HG2%)
   (( segid "pupa" and resid 73   and name HA  ))
      4.300     2.300     1.700 peak   355 spectrum    3 weight  0.11000E+01 volume  0.28786E-03 ppm1      1.136 ppm2      5.107 CV     1
 ASSI {  356}
   (  segid "pupa" and resid 72   and name HG2%)
   (( segid "pupa" and resid 30   and name HA  ))
      4.500     2.500     1.500 peak   356 spectrum    3 weight  0.11000E+01 volume  0.22064E-03 ppm1      1.137 ppm2      4.897 CV     1
 ASSI {  357}
   (  segid "pupa" and resid 73   and name HG2%)
   (( segid "pupa" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   357 spectrum    3 weight  0.11000E+01 volume  0.47525E-02 ppm1      0.823 ppm2      5.107 CV     1
 ASSI {  359}
   (  segid "pupa" and resid 66   and name HG2%)
   (( segid "pupa" and resid 67   and name HA  ))
      3.300     3.300     2.700 peak   359 spectrum    3 weight  0.11000E+01 volume  0.12957E-02 ppm1      0.963 ppm2      4.914 CV     1
 ASSI {  360}
   (( segid "pupa" and resid 73   and name HA  ))
   (( segid "pupa" and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   360 spectrum    3 weight  0.11000E+01 volume  0.48341E-02 ppm1      5.107 ppm2      5.926 CV     1
 ASSI {  363}
   (  segid "pupa" and resid 35   and name HD1%)
   (( segid "pupa" and resid 37   and name HA1 ))
      2.800     1.000     1.000 peak   363 spectrum    3 weight  0.11000E+01 volume  0.36673E-02 ppm1      0.568 ppm2      4.007 CV     1
 OR {  363}
   (  segid "pupa" and resid 35   and name HD1%)
   (( segid "pupa" and resid 37   and name HA2 ))
 ASSI {  364}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 66   and name HA  ))
      3.500     1.500     1.500 peak   364 spectrum    3 weight  0.11000E+01 volume  0.19113E-02 ppm1      0.989 ppm2      4.549 CV     1
 ASSI {  365}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 50   and name HA  ))
      2.900     2.900     3.100 peak   365 spectrum    3 weight  0.11000E+01 volume  0.22217E-02 ppm1      0.990 ppm2      3.802 CV     1
 ASSI {  366}
   (  segid "pupa" and resid 8    and name HD1%)
   (( segid "pupa" and resid 16   and name HA  ))
      5.300     3.600     0.700 peak   366 spectrum    3 weight  0.11000E+01 volume  0.14866E-03 ppm1      0.727 ppm2      3.809 CV     1
 ASSI {  367}
   (  segid "pupa" and resid 8    and name HD1%)
   (( segid "pupa" and resid 20   and name HA  ))
      2.600     0.900     0.900 peak   367 spectrum    3 weight  0.11000E+01 volume  0.40302E-02 ppm1      0.727 ppm2      3.645 CV     1
 ASSI {  368}
   (  segid "pupa" and resid 55   and name HD1%)
   (( segid "pupa" and resid 51   and name HB2 ))
      3.600     3.600     2.400 peak   368 spectrum    3 weight  0.11000E+01 volume  0.28593E-03 ppm1      0.466 ppm2      4.052 CV     1
 OR {  368}
   (  segid "pupa" and resid 55   and name HD1%)
   (( segid "pupa" and resid 51   and name HB1 ))
 ASSI {  371}
   (( segid "pupa" and resid 43   and name HB2 ))
   (( segid "pupa" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak   371 spectrum    3 weight  0.11000E+01 volume  0.12295E-02 ppm1      1.711 ppm2      4.614 CV     1
 ASSI {  373}
   (( segid "pupa" and resid 56   and name HB2 ))
   (( segid "pupa" and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   373 spectrum    3 weight  0.11000E+01 volume  0.17741E-02 ppm1      1.766 ppm2      4.057 CV     1
 ASSI {  375}
   (( segid "pupa" and resid 56   and name HB1 ))
   (( segid "pupa" and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   375 spectrum    3 weight  0.11000E+01 volume  0.20074E-02 ppm1      1.320 ppm2      4.056 CV     1
 ASSI {  376}
   (( segid "pupa" and resid 56   and name HB1 ))
   (( segid "pupa" and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   376 spectrum    3 weight  0.11000E+01 volume  0.45073E-03 ppm1      1.318 ppm2      3.496 CV     1
 ASSI {  378}
   (( segid "pupa" and resid 63   and name HD2 ))
   (( segid "pupa" and resid 63   and name HA  ))
      3.800     1.800     1.800 peak   378 spectrum    3 weight  0.11000E+01 volume  0.10605E-02 ppm1      3.085 ppm2      4.632 CV     1
 ASSI {  379}
   (( segid "pupa" and resid 63   and name HD2 ))
   (( segid "pupa" and resid 76   and name HB1 ))
      5.000     5.000     1.000 peak   379 spectrum    3 weight  0.11000E+01 volume  0.97758E-04 ppm1      3.086 ppm2      3.841 CV     1
 OR {  379}
   (( segid "pupa" and resid 63   and name HD1 ))
   (( segid "pupa" and resid 76   and name HB1 ))
 ASSI {  380}
   (( segid "pupa" and resid 63   and name HD2 ))
   (( segid "pupa" and resid 76   and name HA  ))
      3.700     3.700     2.300 peak   380 spectrum    3 weight  0.11000E+01 volume  0.64016E-03 ppm1      3.084 ppm2      4.317 CV     1
 ASSI {  381}
   (( segid "pupa" and resid 46   and name HD2 ))
   (( segid "pupa" and resid 5    and name HA  ))
      5.200     3.400     0.800 peak   381 spectrum    3 weight  0.11000E+01 volume  0.15262E-03 ppm1      2.994 ppm2      4.427 CV     1
 OR {  381}
   (( segid "pupa" and resid 46   and name HD1 ))
   (( segid "pupa" and resid 5    and name HA  ))
 ASSI {  382}
   (( segid "pupa" and resid 62   and name HB2 ))
   (( segid "pupa" and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   382 spectrum    3 weight  0.11000E+01 volume  0.27111E-02 ppm1      1.803 ppm2      4.621 CV     1
 ASSI {  383}
   (( segid "pupa" and resid 62   and name HB1 ))
   (( segid "pupa" and resid 62   and name HA  ))
      2.400     0.700     0.700 peak   383 spectrum    3 weight  0.11000E+01 volume  0.43648E-02 ppm1      1.257 ppm2      4.620 CV     1
 ASSI {  385}
   (( segid "pupa" and resid 29   and name HB1 ))
   (( segid "pupa" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   385 spectrum    3 weight  0.11000E+01 volume  0.24899E-02 ppm1      1.482 ppm2      4.633 CV     1
 ASSI {  387}
   (( segid "pupa" and resid 49   and name HB2 ))
   (( segid "pupa" and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   387 spectrum    3 weight  0.11000E+01 volume  0.38147E-02 ppm1      1.924 ppm2      4.096 CV     1
 OR {  387}
   (( segid "pupa" and resid 49   and name HB1 ))
   (( segid "pupa" and resid 49   and name HA  ))
 ASSI {  389}
   (( segid "pupa" and resid 34   and name HB2 ))
   (( segid "pupa" and resid 31   and name HB1 ))
      3.300     1.400     1.400 peak   389 spectrum    3 weight  0.11000E+01 volume  0.87700E-03 ppm1      2.989 ppm2      3.938 CV     1
 ASSI {  396}
   (( segid "pupa" and resid 57   and name HB1 ))
   (( segid "pupa" and resid 57   and name HA  ))
      2.800     1.000     1.000 peak   396 spectrum    3 weight  0.11000E+01 volume  0.21929E-02 ppm1      1.565 ppm2      4.224 CV     1
 ASSI {  402}
   (( segid "pupa" and resid 25   and name HB2 ))
   (( segid "pupa" and resid 25   and name HA  ))
      2.800     0.900     0.900 peak   402 spectrum    3 weight  0.11000E+01 volume  0.34474E-02 ppm1      3.143 ppm2      4.363 CV     1
 ASSI {  403}
   (( segid "pupa" and resid 25   and name HB1 ))
   (( segid "pupa" and resid 25   and name HA  ))
      2.800     0.900     0.900 peak   403 spectrum    3 weight  0.11000E+01 volume  0.31925E-02 ppm1      2.687 ppm2      4.361 CV     1
 ASSI {  405}
   (( segid "pupa" and resid 69   and name HB2 ))
   (( segid "pupa" and resid 26   and name HA  ))
      4.200     2.200     1.800 peak   405 spectrum    3 weight  0.11000E+01 volume  0.39041E-03 ppm1      2.980 ppm2      4.526 CV     1
 ASSI {  408}
   (( segid "pupa" and resid 55   and name HB  ))
   (( segid "pupa" and resid 52   and name HA  ))
      3.700     1.700     1.700 peak   408 spectrum    3 weight  0.11000E+01 volume  0.45610E-03 ppm1      1.581 ppm2      3.748 CV     1
 ASSI {  410}
   (( segid "pupa" and resid 14   and name HB1 ))
   (( segid "pupa" and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   410 spectrum    3 weight  0.11000E+01 volume  0.32874E-02 ppm1      2.784 ppm2      4.005 CV     1
 ASSI {  413}
   (( segid "pupa" and resid 33   and name HG2 ))
   (( segid "pupa" and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   413 spectrum    3 weight  0.11000E+01 volume  0.50542E-03 ppm1      2.375 ppm2      4.126 CV     1
 ASSI {  414}
   (( segid "pupa" and resid 33   and name HG1 ))
   (( segid "pupa" and resid 33   and name HA  ))
      3.800     1.800     1.800 peak   414 spectrum    3 weight  0.11000E+01 volume  0.53852E-03 ppm1      2.319 ppm2      4.122 CV     1
 ASSI {  416}
   (( segid "pupa" and resid 47   and name HB1 ))
   (( segid "pupa" and resid 51   and name HB1 ))
      4.200     2.200     1.800 peak   416 spectrum    3 weight  0.11000E+01 volume  0.21706E-03 ppm1      2.845 ppm2      4.040 CV     1
 OR {  416}
   (( segid "pupa" and resid 47   and name HB1 ))
   (( segid "pupa" and resid 51   and name HB2 ))
 ASSI {  419}
   (( segid "pupa" and resid 18   and name HG2 ))
   (( segid "pupa" and resid 18   and name HA  ))
      2.900     1.100     1.100 peak   419 spectrum    3 weight  0.11000E+01 volume  0.27618E-02 ppm1      2.660 ppm2      4.070 CV     1
 ASSI {  428}
   (( segid "pupa" and resid 2    and name HG1 ))
   (( segid "pupa" and resid 2    and name HA  ))
      3.600     1.600     1.600 peak   428 spectrum    3 weight  0.11000E+01 volume  0.75030E-03 ppm1      1.590 ppm2      3.912 CV     1
 ASSI {  429}
   (( segid "pupa" and resid 63   and name HB2 ))
   (( segid "pupa" and resid 63   and name HA  ))
      2.600     0.900     0.900 peak   429 spectrum    3 weight  0.11000E+01 volume  0.36781E-02 ppm1      1.722 ppm2      4.631 CV     1
 ASSI {  430}
   (( segid "pupa" and resid 63   and name HB1 ))
   (( segid "pupa" and resid 63   and name HA  ))
      2.800     1.000     1.000 peak   430 spectrum    3 weight  0.11000E+01 volume  0.23428E-02 ppm1      1.676 ppm2      4.634 CV     1
 ASSI {  431}
   (( segid "pupa" and resid 9    and name HB2 ))
   (( segid "pupa" and resid 9    and name HD2 ))
      3.100     1.200     1.200 peak   431 spectrum    3 weight  0.11000E+01 volume  0.11982E-02 ppm1      2.343 ppm2      3.583 CV     1
 OR {  431}
   (( segid "pupa" and resid 9    and name HB2 ))
   (( segid "pupa" and resid 9    and name HD1 ))
 ASSI {  433}
   (( segid "pupa" and resid 11   and name HB2 ))
   (( segid "pupa" and resid 11   and name HA  ))
      3.000     1.200     1.200 peak   433 spectrum    3 weight  0.11000E+01 volume  0.23576E-02 ppm1      2.190 ppm2      4.710 CV     1
 ASSI {  434}
   (( segid "pupa" and resid 11   and name HB1 ))
   (( segid "pupa" and resid 11   and name HA  ))
      2.800     1.000     1.000 peak   434 spectrum    3 weight  0.11000E+01 volume  0.19804E-02 ppm1      2.130 ppm2      4.711 CV     1
 ASSI {  435}
   (( segid "pupa" and resid 65   and name HB2 ))
   (( segid "pupa" and resid 72   and name HB  ))
      2.900     2.900     3.100 peak   435 spectrum    3 weight  0.11000E+01 volume  0.15927E-02 ppm1      2.018 ppm2      3.961 CV     1
 ASSI {  436}
   (( segid "pupa" and resid 65   and name HB2 ))
   (( segid "pupa" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   436 spectrum    3 weight  0.11000E+01 volume  0.17125E-02 ppm1      2.003 ppm2      4.568 CV     1
 ASSI {  438}
   (( segid "pupa" and resid 22   and name HB1 ))
   (( segid "pupa" and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   438 spectrum    3 weight  0.11000E+01 volume  0.57384E-02 ppm1      1.987 ppm2      4.107 CV     1
 OR {  438}
   (( segid "pupa" and resid 22   and name HB2 ))
   (( segid "pupa" and resid 22   and name HA  ))
 ASSI {  439}
   (( segid "pupa" and resid 65   and name HB1 ))
   (( segid "pupa" and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   439 spectrum    3 weight  0.11000E+01 volume  0.15024E-02 ppm1      1.936 ppm2      4.565 CV     1
 ASSI {  440}
   (( segid "pupa" and resid 65   and name HB1 ))
   (( segid "pupa" and resid 72   and name HB  ))
      4.200     2.300     1.800 peak   440 spectrum    3 weight  0.11000E+01 volume  0.32765E-03 ppm1      1.937 ppm2      3.952 CV     1
 ASSI {  442}
   (( segid "pupa" and resid 9    and name HB1 ))
   (( segid "pupa" and resid 9    and name HD2 ))
      3.500     1.500     1.500 peak   442 spectrum    3 weight  0.11000E+01 volume  0.17649E-02 ppm1      1.828 ppm2      3.582 CV     1
 OR {  442}
   (( segid "pupa" and resid 9    and name HB1 ))
   (( segid "pupa" and resid 9    and name HD1 ))
 ASSI {  444}
   (( segid "pupa" and resid 32   and name HB2 ))
   (( segid "pupa" and resid 32   and name HD1 ))
      4.700     2.700     1.300 peak   444 spectrum    3 weight  0.11000E+01 volume  0.36787E-03 ppm1      2.459 ppm2      3.933 CV     1
 ASSI {  445}
   (( segid "pupa" and resid 32   and name HB2 ))
   (( segid "pupa" and resid 32   and name HD2 ))
      3.900     1.900     1.900 peak   445 spectrum    3 weight  0.11000E+01 volume  0.54514E-03 ppm1      2.456 ppm2      4.008 CV     1
 ASSI {  451}
   (( segid "pupa" and resid 27   and name HB2 ))
   (( segid "pupa" and resid 27   and name HA  ))
      2.600     0.900     0.900 peak   451 spectrum    3 weight  0.11000E+01 volume  0.30159E-02 ppm1      2.059 ppm2      4.497 CV     1
 ASSI {  452}
   (( segid "pupa" and resid 27   and name HB1 ))
   (( segid "pupa" and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   452 spectrum    3 weight  0.11000E+01 volume  0.29892E-02 ppm1      1.999 ppm2      4.497 CV     1
 ASSI {  453}
   (( segid "pupa" and resid 54   and name HB1 ))
   (( segid "pupa" and resid 51   and name HA  ))
      3.400     1.400     1.400 peak   453 spectrum    3 weight  0.11000E+01 volume  0.10805E-02 ppm1      1.978 ppm2      4.172 CV     1
 ASSI {  457}
   (( segid "pupa" and resid 33   and name HB2 ))
   (( segid "pupa" and resid 33   and name HA  ))
      2.600     0.900     0.900 peak   457 spectrum    3 weight  0.11000E+01 volume  0.44101E-02 ppm1      2.008 ppm2      4.118 CV     1
 ASSI {  459}
   (( segid "pupa" and resid 23   and name HB1 ))
   (( segid "pupa" and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   459 spectrum    3 weight  0.11000E+01 volume  0.27257E-02 ppm1      1.719 ppm2      4.085 CV     1
 ASSI {  465}
   (( segid "pupa" and resid 18   and name HB2 ))
   (( segid "pupa" and resid 18   and name HA  ))
      2.300     0.700     0.700 peak   465 spectrum    3 weight  0.11000E+01 volume  0.87606E-02 ppm1      2.102 ppm2      4.069 CV     1
 OR {  465}
   (( segid "pupa" and resid 18   and name HB1 ))
   (( segid "pupa" and resid 18   and name HA  ))
 ASSI {  467}
   (( segid "pupa" and resid 50   and name HB2 ))
   (( segid "pupa" and resid 50   and name HA  ))
      2.700     0.900     0.900 peak   467 spectrum    3 weight  0.11000E+01 volume  0.31651E-02 ppm1      2.246 ppm2      3.806 CV     1
 ASSI {  468}
   (( segid "pupa" and resid 50   and name HB1 ))
   (( segid "pupa" and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   468 spectrum    3 weight  0.11000E+01 volume  0.28980E-02 ppm1      2.190 ppm2      3.802 CV     1
 ASSI {  470}
   (( segid "pupa" and resid 32   and name HG2 ))
   (( segid "pupa" and resid 32   and name HD2 ))
      2.400     0.700     0.700 peak   470 spectrum    3 weight  0.11000E+01 volume  0.36503E-02 ppm1      2.199 ppm2      4.006 CV     1
 ASSI {  471}
   (( segid "pupa" and resid 32   and name HG2 ))
   (( segid "pupa" and resid 32   and name HD1 ))
      2.900     1.000     1.000 peak   471 spectrum    3 weight  0.11000E+01 volume  0.35464E-02 ppm1      2.198 ppm2      3.923 CV     1
 ASSI {  472}
   (( segid "pupa" and resid 32   and name HG1 ))
   (( segid "pupa" and resid 32   and name HA  ))
      3.600     1.600     1.600 peak   472 spectrum    3 weight  0.11000E+01 volume  0.93129E-03 ppm1      2.010 ppm2      4.272 CV     1
 ASSI {  476}
   (( segid "pupa" and resid 57   and name HG  ))
   (( segid "pupa" and resid 57   and name HA  ))
      4.300     2.300     1.700 peak   476 spectrum    3 weight  0.11000E+01 volume  0.21072E-03 ppm1      1.846 ppm2      4.208 CV     1
 ASSI {  479}
   (  segid "pupa" and resid 6    and name HD1%)
   (( segid "pupa" and resid 52   and name HB2 ))
      4.100     2.100     1.900 peak   479 spectrum    3 weight  0.11000E+01 volume  0.28741E-03 ppm1      0.882 ppm2      3.980 CV     1
 ASSI {  481}
   (  segid "pupa" and resid 6    and name HD1%)
   (( segid "pupa" and resid 52   and name HB1 ))
      3.700     1.700     1.700 peak   481 spectrum    3 weight  0.11000E+01 volume  0.50922E-03 ppm1      0.882 ppm2      3.426 CV     1
 ASSI {  484}
   (( segid "pupa" and resid 9    and name HG1 ))
   (( segid "pupa" and resid 9    and name HA  ))
      3.900     1.900     1.900 peak   484 spectrum    3 weight  0.11000E+01 volume  0.41364E-03 ppm1      1.833 ppm2      4.332 CV     1
 ASSI {  486}
   (( segid "pupa" and resid 56   and name HG  ))
   (( segid "pupa" and resid 56   and name HA  ))
      3.500     1.500     1.500 peak   486 spectrum    3 weight  0.11000E+01 volume  0.63529E-03 ppm1      1.776 ppm2      4.045 CV     1
 ASSI {  487}
   (( segid "pupa" and resid 49   and name HG  ))
   (( segid "pupa" and resid 49   and name HA  ))
      4.100     2.100     1.900 peak   487 spectrum    3 weight  0.11000E+01 volume  0.27588E-03 ppm1      1.595 ppm2      4.092 CV     1
 ASSI {  488}
   (( segid "pupa" and resid 39   and name HG1 ))
   (( segid "pupa" and resid 38   and name HA  ))
      4.400     2.400     1.600 peak   488 spectrum    3 weight  0.11000E+01 volume  0.78648E-03 ppm1      1.579 ppm2      4.639 CV     1
 OR {  488}
   (( segid "pupa" and resid 39   and name HG2 ))
   (( segid "pupa" and resid 38   and name HA  ))
 ASSI {  489}
   (( segid "pupa" and resid 39   and name HG2 ))
   (( segid "pupa" and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   489 spectrum    3 weight  0.11000E+01 volume  0.13843E-02 ppm1      1.580 ppm2      4.434 CV     1
 OR {  489}
   (( segid "pupa" and resid 39   and name HG1 ))
   (( segid "pupa" and resid 40   and name HA  ))
 ASSI {  494}
   (( segid "pupa" and resid 35   and name HG11))
   (( segid "pupa" and resid 36   and name HA2 ))
      4.200     2.200     1.800 peak   494 spectrum    3 weight  0.11000E+01 volume  0.46951E-03 ppm1      1.274 ppm2      3.951 CV     1
 ASSI {  495}
   (  segid "pupa" and resid 43   and name HD2%)
   (( segid "pupa" and resid 43   and name HA  ))
      3.900     1.900     1.900 peak   495 spectrum    3 weight  0.11000E+01 volume  0.42399E-03 ppm1      0.806 ppm2      4.611 CV     1
 ASSI {  496}
   (  segid "pupa" and resid 43   and name HD2%)
   (( segid "pupa" and resid 56   and name HA  ))
      3.700     3.700     2.300 peak   496 spectrum    3 weight  0.11000E+01 volume  0.71251E-03 ppm1      0.808 ppm2      3.995 CV     1
 ASSI {  498}
   (  segid "pupa" and resid 43   and name HD2%)
   (( segid "pupa" and resid 52   and name HB1 ))
      3.300     1.400     1.400 peak   498 spectrum    3 weight  0.11000E+01 volume  0.16125E-02 ppm1      0.807 ppm2      3.430 CV     1
 ASSI {  499}
   (  segid "pupa" and resid 56   and name HD1%)
   (( segid "pupa" and resid 56   and name HA  ))
      3.300     1.300     1.300 peak   499 spectrum    3 weight  0.11000E+01 volume  0.19042E-02 ppm1      0.737 ppm2      4.046 CV     1
 ASSI {  502}
   (  segid "pupa" and resid 38   and name HD1%)
   (( segid "pupa" and resid 38   and name HA  ))
      3.600     1.600     1.600 peak   502 spectrum    3 weight  0.11000E+01 volume  0.18462E-02 ppm1      1.019 ppm2      4.628 CV     1
 ASSI {  503}
   (  segid "pupa" and resid 38   and name HD1%)
   (( segid "pupa" and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   503 spectrum    3 weight  0.11000E+01 volume  0.36251E-02 ppm1      1.019 ppm2      4.521 CV     1
 ASSI {  505}
   (  segid "pupa" and resid 53   and name HD1%)
   (( segid "pupa" and resid 53   and name HA  ))
      5.200     3.400     0.800 peak   505 spectrum    3 weight  0.11000E+01 volume  0.24395E-03 ppm1      0.377 ppm2      3.489 CV     1
 ASSI {  506}
   (( segid "pupa" and resid 17   and name HG  ))
   (( segid "pupa" and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   506 spectrum    3 weight  0.11000E+01 volume  0.64572E-03 ppm1      1.592 ppm2      3.812 CV     1
 ASSI {  508}
   (  segid "pupa" and resid 53   and name HD1%)
   (( segid "pupa" and resid 50   and name HA  ))
      3.600     1.600     1.600 peak   508 spectrum    3 weight  0.11000E+01 volume  0.60645E-03 ppm1      0.376 ppm2      3.802 CV     1
 ASSI {  509}
   (  segid "pupa" and resid 62   and name HD1%)
   (( segid "pupa" and resid 62   and name HA  ))
      4.500     2.500     1.500 peak   509 spectrum    3 weight  0.11000E+01 volume  0.61920E-03 ppm1      0.784 ppm2      4.623 CV     1
 ASSI {  510}
   (  segid "pupa" and resid 62   and name HD1%)
   (( segid "pupa" and resid 35   and name HA  ))
      3.800     3.800     2.200 peak   510 spectrum    3 weight  0.11000E+01 volume  0.21742E-03 ppm1      0.784 ppm2      4.521 CV     1
 ASSI {  512}
   (  segid "pupa" and resid 56   and name HD2%)
   (( segid "pupa" and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   512 spectrum    3 weight  0.11000E+01 volume  0.25792E-02 ppm1      0.774 ppm2      4.051 CV     1
 ASSI {  513}
   (  segid "pupa" and resid 20   and name HD2%)
   (( segid "pupa" and resid 20   and name HA  ))
      5.200     3.300     0.800 peak   513 spectrum    3 weight  0.11000E+01 volume  0.99020E-04 ppm1      0.551 ppm2      3.642 CV     1
 ASSI {  514}
   (  segid "pupa" and resid 56   and name HD2%)
   (( segid "pupa" and resid 41   and name HB1 ))
      2.900     2.900     3.100 peak   514 spectrum    3 weight  0.11000E+01 volume  0.10855E-02 ppm1      0.785 ppm2      3.916 CV     1
 ASSI {  516}
   (  segid "pupa" and resid 28   and name HD1%)
   (( segid "pupa" and resid 26   and name HB  ))
      3.700     3.700     2.300 peak   516 spectrum    3 weight  0.11000E+01 volume  0.69545E-03 ppm1      0.778 ppm2      3.621 CV     1
 ASSI {  517}
   (  segid "pupa" and resid 20   and name HD2%)
   (( segid "pupa" and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   517 spectrum    3 weight  0.11000E+01 volume  0.28891E-03 ppm1      0.550 ppm2      3.810 CV     1
 ASSI {  519}
   (  segid "pupa" and resid 17   and name HD1%)
   (( segid "pupa" and resid 14   and name HA  ))
      4.200     2.200     1.800 peak   519 spectrum    3 weight  0.11000E+01 volume  0.30488E-03 ppm1      0.057 ppm2      4.007 CV     1
 ASSI {  520}
   (  segid "pupa" and resid 17   and name HD1%)
   (( segid "pupa" and resid 17   and name HA  ))
      5.300     3.500     0.700 peak   520 spectrum    3 weight  0.11000E+01 volume  0.18297E-03 ppm1      0.053 ppm2      3.801 CV     1
 ASSI {  523}
   (  segid "pupa" and resid 43   and name HD1%)
   (( segid "pupa" and resid 56   and name HA  ))
      4.400     4.400     1.600 peak   523 spectrum    3 weight  0.11000E+01 volume  0.21866E-03 ppm1      0.593 ppm2      4.025 CV     1
 ASSI {  524}
   (  segid "pupa" and resid 43   and name HD1%)
   (( segid "pupa" and resid 52   and name HA  ))
      2.800     2.800     3.200 peak   524 spectrum    3 weight  0.11000E+01 volume  0.26489E-02 ppm1      0.592 ppm2      3.749 CV     1
 ASSI {  527}
   (  segid "pupa" and resid 28   and name HD2%)
   (( segid "pupa" and resid 26   and name HB  ))
      3.500     1.600     1.600 peak   527 spectrum    3 weight  0.11000E+01 volume  0.81965E-03 ppm1      0.680 ppm2      3.636 CV     1
 ASSI {  528}
   (  segid "pupa" and resid 20   and name HD1%)
   (( segid "pupa" and resid 52   and name HB2 ))
      3.400     1.500     1.500 peak   528 spectrum    3 weight  0.11000E+01 volume  0.98333E-03 ppm1      0.549 ppm2      3.977 CV     1
 ASSI {  531}
   (  segid "pupa" and resid 20   and name HD1%)
   (( segid "pupa" and resid 52   and name HB1 ))
      3.200     3.200     2.800 peak   531 spectrum    3 weight  0.11000E+01 volume  0.14675E-02 ppm1      0.550 ppm2      3.432 CV     1
 ASSI {  533}
   (  segid "pupa" and resid 29   and name HD2%)
   (( segid "pupa" and resid 29   and name HA  ))
      2.700     2.700     3.300 peak   533 spectrum    3 weight  0.11000E+01 volume  0.46846E-02 ppm1      0.808 ppm2      4.633 CV     1
 ASSI {  535}
   (  segid "pupa" and resid 49   and name HD1%)
   (( segid "pupa" and resid 49   and name HA  ))
      2.500     0.800     0.800 peak   535 spectrum    3 weight  0.11000E+01 volume  0.56395E-02 ppm1      0.745 ppm2      4.098 CV     1
 ASSI {  536}
   (  segid "pupa" and resid 49   and name HD1%)
   (( segid "pupa" and resid 52   and name HB2 ))
      3.800     1.800     1.800 peak   536 spectrum    3 weight  0.11000E+01 volume  0.72332E-03 ppm1      0.743 ppm2      3.978 CV     1
 ASSI {  538}
   (  segid "pupa" and resid 38   and name HD2%)
   (( segid "pupa" and resid 60   and name HB  ))
      2.900     2.900     3.100 peak   538 spectrum    3 weight  0.11000E+01 volume  0.10777E-02 ppm1      0.965 ppm2      4.306 CV     1
 ASSI {  539}
   (  segid "pupa" and resid 73   and name HG1%)
   (( segid "pupa" and resid 74   and name HA  ))
      3.500     1.500     1.500 peak   539 spectrum    3 weight  0.11000E+01 volume  0.80060E-03 ppm1      0.891 ppm2      4.636 CV     1
 ASSI {  541}
   (  segid "pupa" and resid 26   and name HG2%)
   (( segid "pupa" and resid 26   and name HA  ))
      2.400     0.700     0.700 peak   541 spectrum    3 weight  0.11000E+01 volume  0.65166E-02 ppm1      0.982 ppm2      4.522 CV     1
 ASSI {  545}
   (  segid "pupa" and resid 74   and name HG2%)
   (( segid "pupa" and resid 74   and name HB  ))
      2.100     0.600     0.600 peak   545 spectrum    3 weight  0.11000E+01 volume  0.13518E-01 ppm1      1.134 ppm2      4.120 CV     1
 ASSI {  546}
   (  segid "pupa" and resid 71   and name HG2%)
   (( segid "pupa" and resid 66   and name HA  ))
      3.000     1.100     1.100 peak   546 spectrum    3 weight  0.11000E+01 volume  0.19202E-02 ppm1      0.856 ppm2      4.543 CV     1
 ASSI {  547}
   (  segid "pupa" and resid 71   and name HG2%)
   (( segid "pupa" and resid 26   and name HB  ))
      3.200     1.300     1.300 peak   547 spectrum    3 weight  0.11000E+01 volume  0.99982E-03 ppm1      0.856 ppm2      3.635 CV     1
 ASSI {  548}
   (  segid "pupa" and resid 71   and name HG1%)
   (( segid "pupa" and resid 66   and name HA  ))
      3.700     1.800     1.800 peak   548 spectrum    3 weight  0.11000E+01 volume  0.76505E-03 ppm1      0.813 ppm2      4.552 CV     1
 ASSI {  550}
   (  segid "pupa" and resid 60   and name HG2%)
   (( segid "pupa" and resid 60   and name HB  ))
      2.200     0.600     0.600 peak   550 spectrum    3 weight  0.11000E+01 volume  0.96771E-02 ppm1      1.222 ppm2      4.303 CV     1
 ASSI {  554}
   (  segid "pupa" and resid 24   and name HG2%)
   (( segid "pupa" and resid 20   and name HA  ))
      3.700     3.700     2.300 peak   554 spectrum    3 weight  0.11000E+01 volume  0.24743E-03 ppm1     -0.080 ppm2      3.645 CV     1
 ASSI {  555}
   (  segid "pupa" and resid 24   and name HG2%)
   (( segid "pupa" and resid 49   and name HA  ))
      4.700     2.800     1.300 peak   555 spectrum    3 weight  0.11000E+01 volume  0.17354E-03 ppm1     -0.081 ppm2      4.084 CV     1
 ASSI {  557}
   (  segid "pupa" and resid 79   and name HB% )
   (( segid "pupa" and resid 79   and name HA  ))
      2.300     0.700     0.700 peak   557 spectrum    3 weight  0.11000E+01 volume  0.98371E-02 ppm1      1.381 ppm2      4.301 CV     1
 ASSI {  560}
   (  segid "pupa" and resid 16   and name HB% )
   (( segid "pupa" and resid 15   and name HB2 ))
      2.500     2.500     3.500 peak   560 spectrum    3 weight  0.11000E+01 volume  0.28185E-02 ppm1      1.476 ppm2      4.025 CV     1
 ASSI {  561}
   (  segid "pupa" and resid 16   and name HB% )
   (( segid "pupa" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak   561 spectrum    3 weight  0.11000E+01 volume  0.72950E-02 ppm1      1.476 ppm2      3.812 CV     1
 ASSI {  564}
   (  segid "pupa" and resid 21   and name HB% )
   (( segid "pupa" and resid 22   and name HA  ))
      3.000     3.000     3.000 peak   564 spectrum    3 weight  0.11000E+01 volume  0.39541E-02 ppm1      1.561 ppm2      4.070 CV     1
 ASSI {  565}
   (  segid "pupa" and resid 21   and name HB% )
   (( segid "pupa" and resid 21   and name HA  ))
      2.300     0.700     0.700 peak   565 spectrum    3 weight  0.11000E+01 volume  0.78017E-02 ppm1      1.560 ppm2      3.911 CV     1
 ASSI {  569}
   (  segid "pupa" and resid 35   and name HG2%)
   (( segid "pupa" and resid 32   and name HA  ))
      4.700     2.700     1.300 peak   569 spectrum    3 weight  0.11000E+01 volume  0.39416E-03 ppm1      0.701 ppm2      4.286 CV     1
 ASSI {  570}
   (  segid "pupa" and resid 35   and name HG2%)
   (( segid "pupa" and resid 31   and name HB2 ))
      3.500     3.500     2.500 peak   570 spectrum    3 weight  0.11000E+01 volume  0.35950E-03 ppm1      0.699 ppm2      3.992 CV     1
 ASSI {  571}
   (  segid "pupa" and resid 13   and name HE% )
   (( segid "pupa" and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   571 spectrum    3 weight  0.11000E+01 volume  0.14613E-02 ppm1      1.904 ppm2      4.036 CV     1
 ASSI {  573}
   (  segid "pupa" and resid 13   and name HE% )
   (( segid "pupa" and resid 35   and name HA  ))
      3.700     3.700     2.300 peak   573 spectrum    3 weight  0.11000E+01 volume  0.92017E-03 ppm1      1.903 ppm2      4.531 CV     1
 ASSI {  575}
   (  segid "pupa" and resid 8    and name HG2%)
   (( segid "pupa" and resid 15   and name HB2 ))
      5.700     5.700     0.300 peak   575 spectrum    3 weight  0.11000E+01 volume  0.11092E-03 ppm1      0.854 ppm2      4.050 CV     1
 ASSI {  576}
   (  segid "pupa" and resid 8    and name HG2%)
   (( segid "pupa" and resid 16   and name HA  ))
      2.600     0.900     0.900 peak   576 spectrum    3 weight  0.11000E+01 volume  0.33241E-02 ppm1      0.851 ppm2      3.810 CV     1
 ASSI {  577}
   (  segid "pupa" and resid 8    and name HG2%)
   (( segid "pupa" and resid 9    and name HD2 ))
      2.800     1.000     1.000 peak   577 spectrum    3 weight  0.11000E+01 volume  0.21113E-02 ppm1      0.851 ppm2      3.585 CV     1
 OR {  577}
   (  segid "pupa" and resid 8    and name HG2%)
   (( segid "pupa" and resid 9    and name HD1 ))
 ASSI {  579}
   (  segid "pupa" and resid 19   and name HB% )
   (( segid "pupa" and resid 16   and name HA  ))
      2.900     2.900     3.100 peak   579 spectrum    3 weight  0.11000E+01 volume  0.39013E-02 ppm1      1.528 ppm2      3.812 CV     1
 ASSI {  580}
   (  segid "pupa" and resid 66   and name HG2%)
   (( segid "pupa" and resid 66   and name HA  ))
      2.800     1.000     1.000 peak   580 spectrum    3 weight  0.11000E+01 volume  0.45503E-02 ppm1      0.964 ppm2      4.544 CV     1
 ASSI {  581}
   (  segid "pupa" and resid 55   and name HG2%)
   (( segid "pupa" and resid 43   and name HA  ))
      2.500     2.500     3.500 peak   581 spectrum    3 weight  0.11000E+01 volume  0.27224E-02 ppm1      0.754 ppm2      4.615 CV     1
 ASSI {  582}
   (  segid "pupa" and resid 55   and name HG2%)
   (( segid "pupa" and resid 56   and name HA  ))
      3.000     3.000     3.000 peak   582 spectrum    3 weight  0.11000E+01 volume  0.21035E-02 ppm1      0.753 ppm2      4.077 CV     1
 ASSI {  583}
   (  segid "pupa" and resid 55   and name HG2%)
   (( segid "pupa" and resid 41   and name HB1 ))
      3.300     3.300     2.700 peak   583 spectrum    3 weight  0.11000E+01 volume  0.45446E-03 ppm1      0.754 ppm2      3.833 CV     1
 ASSI {  590}
   (( segid "pupa" and resid 23   and name HG1 ))
   (( segid "pupa" and resid 23   and name HG2 ))
      1.800     0.400     0.400 peak   590 spectrum    3 weight  0.11000E+01 volume  0.16628E-01 ppm1      2.366 ppm2      2.658 CV     1
 ASSI {  593}
   (( segid "pupa" and resid 39   and name HB2 ))
   (( segid "pupa" and resid 39   and name HD1 ))
      4.100     2.100     1.900 peak   593 spectrum    3 weight  0.11000E+01 volume  0.39992E-03 ppm1      1.805 ppm2      3.100 CV     1
 ASSI {  594}
   (( segid "pupa" and resid 39   and name HB1 ))
   (( segid "pupa" and resid 39   and name HD1 ))
      3.200     1.300     1.300 peak   594 spectrum    3 weight  0.11000E+01 volume  0.10500E-02 ppm1      1.578 ppm2      3.109 CV     1
 ASSI {  595}
   (( segid "pupa" and resid 63   and name HB2 ))
   (( segid "pupa" and resid 63   and name HD2 ))
      3.100     1.200     1.200 peak   595 spectrum    3 weight  0.11000E+01 volume  0.14869E-02 ppm1      1.724 ppm2      3.084 CV     1
 ASSI {  596}
   (( segid "pupa" and resid 63   and name HB1 ))
   (( segid "pupa" and resid 63   and name HD2 ))
      3.100     1.200     1.200 peak   596 spectrum    3 weight  0.11000E+01 volume  0.15538E-02 ppm1      1.678 ppm2      3.090 CV     1
 ASSI {  600}
   (( segid "pupa" and resid 54   and name HB1 ))
   (( segid "pupa" and resid 54   and name HD2 ))
      3.200     1.300     1.300 peak   600 spectrum    3 weight  0.11000E+01 volume  0.12067E-02 ppm1      1.975 ppm2      3.304 CV     1
 OR {  600}
   (( segid "pupa" and resid 54   and name HB1 ))
   (( segid "pupa" and resid 54   and name HD1 ))
 ASSI {  603}
   (( segid "pupa" and resid 22   and name HD2 ))
   (( segid "pupa" and resid 22   and name HE1 ))
      2.900     1.000     1.000 peak   603 spectrum    3 weight  0.11000E+01 volume  0.20060E-02 ppm1      1.731 ppm2      3.005 CV     1
 ASSI {  604}
   (( segid "pupa" and resid 58   and name HB1 ))
   (( segid "pupa" and resid 58   and name HG2 ))
      2.200     0.600     0.600 peak   604 spectrum    3 weight  0.11000E+01 volume  0.87581E-02 ppm1      2.253 ppm2      2.608 CV     1
 ASSI {  605}
   (( segid "pupa" and resid 18   and name HB2 ))
   (( segid "pupa" and resid 18   and name HG2 ))
      2.400     0.700     0.700 peak   605 spectrum    3 weight  0.11000E+01 volume  0.66234E-02 ppm1      2.104 ppm2      2.656 CV     1
 OR {  605}
   (( segid "pupa" and resid 18   and name HB1 ))
   (( segid "pupa" and resid 18   and name HG2 ))
 ASSI {  606}
   (( segid "pupa" and resid 50   and name HB1 ))
   (( segid "pupa" and resid 50   and name HG1 ))
      2.400     0.700     0.700 peak   606 spectrum    3 weight  0.11000E+01 volume  0.73481E-02 ppm1      2.188 ppm2      2.551 CV     1
 OR {  606}
   (( segid "pupa" and resid 50   and name HB1 ))
   (( segid "pupa" and resid 50   and name HG2 ))
 ASSI {  609}
   (( segid "pupa" and resid 39   and name HG1 ))
   (( segid "pupa" and resid 39   and name HD2 ))
      2.400     0.700     0.700 peak   609 spectrum    3 weight  0.11000E+01 volume  0.55949E-02 ppm1      1.580 ppm2      3.172 CV     1
 OR {  609}
   (( segid "pupa" and resid 39   and name HG2 ))
   (( segid "pupa" and resid 39   and name HD2 ))
 ASSI {  610}
   (( segid "pupa" and resid 39   and name HG2 ))
   (( segid "pupa" and resid 39   and name HD1 ))
      2.500     0.800     0.800 peak   610 spectrum    3 weight  0.11000E+01 volume  0.44449E-02 ppm1      1.579 ppm2      3.101 CV     1
 OR {  610}
   (( segid "pupa" and resid 39   and name HG1 ))
   (( segid "pupa" and resid 39   and name HD1 ))
 ASSI {  611}
   (  segid "pupa" and resid 6    and name HD1%)
   (( segid "pupa" and resid 4    and name HB2 ))
      3.500     1.600     1.600 peak   611 spectrum    3 weight  0.11000E+01 volume  0.80647E-03 ppm1      0.882 ppm2      3.170 CV     1
 ASSI {  613}
   (( segid "pupa" and resid 49   and name HG  ))
   (( segid "pupa" and resid 24   and name HB  ))
      3.700     3.700     2.300 peak   613 spectrum    3 weight  0.11000E+01 volume  0.11105E-02 ppm1      1.614 ppm2      2.825 CV     1
 ASSI {  615}
   (( segid "pupa" and resid 63   and name HG1 ))
   (( segid "pupa" and resid 63   and name HD2 ))
      2.500     0.800     0.800 peak   615 spectrum    3 weight  0.11000E+01 volume  0.55611E-02 ppm1      1.501 ppm2      3.085 CV     1
 OR {  615}
   (( segid "pupa" and resid 63   and name HG2 ))
   (( segid "pupa" and resid 63   and name HD2 ))
 ASSI {  616}
   (  segid "pupa" and resid 53   and name HD1%)
   (( segid "pupa" and resid 64   and name HB1 ))
      3.400     3.400     2.600 peak   616 spectrum    3 weight  0.11000E+01 volume  0.10054E-02 ppm1      0.376 ppm2      2.625 CV     1
 OR {  616}
   (  segid "pupa" and resid 53   and name HD1%)
   (( segid "pupa" and resid 64   and name HB2 ))
 ASSI {  617}
   (  segid "pupa" and resid 57   and name HD1%)
   (( segid "pupa" and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak   617 spectrum    3 weight  0.11000E+01 volume  0.14658E-02 ppm1      0.702 ppm2      2.623 CV     1
 OR {  617}
   (  segid "pupa" and resid 57   and name HD1%)
   (( segid "pupa" and resid 64   and name HB1 ))
 ASSI {  618}
   (( segid "pupa" and resid 44   and name HG1 ))
   (( segid "pupa" and resid 44   and name HE2 ))
      3.100     1.200     1.200 peak   618 spectrum    3 weight  0.11000E+01 volume  0.15559E-02 ppm1      1.394 ppm2      2.920 CV     1
 OR {  618}
   (( segid "pupa" and resid 44   and name HG1 ))
   (( segid "pupa" and resid 44   and name HE1 ))
 ASSI {  619}
   (  segid "pupa" and resid 6    and name HD2%)
   (( segid "pupa" and resid 4    and name HB1 ))
      3.300     1.400     1.400 peak   619 spectrum    3 weight  0.11000E+01 volume  0.17469E-02 ppm1      0.732 ppm2      2.819 CV     1
 ASSI {  621}
   (  segid "pupa" and resid 6    and name HD2%)
   (( segid "pupa" and resid 23   and name HG2 ))
      4.600     2.600     1.400 peak   621 spectrum    3 weight  0.11000E+01 volume  0.19728E-03 ppm1      0.728 ppm2      2.656 CV     1
 ASSI {  625}
   (  segid "pupa" and resid 26   and name HG2%)
   (( segid "pupa" and resid 69   and name HB2 ))
      4.300     2.300     1.700 peak   625 spectrum    3 weight  0.11000E+01 volume  0.40062E-03 ppm1      0.983 ppm2      2.977 CV     1
 ASSI {  626}
   (  segid "pupa" and resid 73   and name HG1%)
   (( segid "pupa" and resid 30   and name HB2 ))
      5.100     3.300     0.900 peak   626 spectrum    3 weight  0.11000E+01 volume  0.10626E-03 ppm1      0.893 ppm2      3.303 CV     1
 ASSI {  627}
   (  segid "pupa" and resid 73   and name HG2%)
   (( segid "pupa" and resid 64   and name HB2 ))
      2.500     2.500     3.500 peak   627 spectrum    3 weight  0.11000E+01 volume  0.54153E-02 ppm1      0.819 ppm2      2.627 CV     1
 OR {  627}
   (  segid "pupa" and resid 73   and name HG2%)
   (( segid "pupa" and resid 64   and name HB1 ))
 ASSI {  633}
   (  segid "pupa" and resid 35   and name HG2%)
   (( segid "pupa" and resid 34   and name HB1 ))
      3.400     1.500     1.500 peak   633 spectrum    3 weight  0.11000E+01 volume  0.72763E-03 ppm1      0.701 ppm2      2.586 CV     1
 ASSI {  634}
   (  segid "pupa" and resid 35   and name HD1%)
   (( segid "pupa" and resid 13   and name HG2 ))
      3.100     1.200     1.200 peak   634 spectrum    3 weight  0.11000E+01 volume  0.25012E-02 ppm1      0.568 ppm2      2.182 CV     1
 OR {  634}
   (  segid "pupa" and resid 35   and name HD1%)
   (( segid "pupa" and resid 13   and name HG1 ))
 ASSI {  635}
   (  segid "pupa" and resid 35   and name HD1%)
   (( segid "pupa" and resid 35   and name HB  ))
      2.500     0.800     0.800 peak   635 spectrum    3 weight  0.11000E+01 volume  0.44357E-02 ppm1      0.568 ppm2      1.977 CV     1
 ASSI {  636}
   (  segid "pupa" and resid 35   and name HD1%)
   (( segid "pupa" and resid 13   and name HB1 ))
      3.200     1.300     1.300 peak   636 spectrum    3 weight  0.11000E+01 volume  0.10851E-02 ppm1      0.567 ppm2      1.626 CV     1
 ASSI {  637}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 50   and name HB2 ))
      2.700     2.700     3.300 peak   637 spectrum    3 weight  0.11000E+01 volume  0.17026E-02 ppm1      0.990 ppm2      2.221 CV     1
 OR {  637}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 50   and name HB1 ))
 ASSI {  638}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 66   and name HB  ))
      2.300     0.700     0.700 peak   638 spectrum    3 weight  0.11000E+01 volume  0.85707E-02 ppm1      0.990 ppm2      1.826 CV     1
 ASSI {  639}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 66   and name HG12))
      2.200     0.600     0.600 peak   639 spectrum    3 weight  0.11000E+01 volume  0.11142E-01 ppm1      0.990 ppm2      1.732 CV     1
 OR {  639}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 66   and name HG11))
 ASSI {  640}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 49   and name HG  ))
      3.000     3.000     3.000 peak   640 spectrum    3 weight  0.11000E+01 volume  0.20671E-02 ppm1      0.990 ppm2      1.598 CV     1
 ASSI {  641}
   (  segid "pupa" and resid 8    and name HD1%)
   (( segid "pupa" and resid 8    and name HB  ))
      2.600     2.600     3.400 peak   641 spectrum    3 weight  0.11000E+01 volume  0.58176E-02 ppm1      0.727 ppm2      1.892 CV     1
 ASSI {  642}
   (  segid "pupa" and resid 8    and name HD1%)
   (( segid "pupa" and resid 8    and name HG12))
      2.100     0.600     0.600 peak   642 spectrum    3 weight  0.11000E+01 volume  0.11454E-01 ppm1      0.728 ppm2      1.529 CV     1
 ASSI {  646}
   (( segid "pupa" and resid 55   and name HG11))
   (( segid "pupa" and resid 55   and name HG12))
      1.800     0.400     0.400 peak   646 spectrum    3 weight  0.11000E+01 volume  0.11648E-01 ppm1      0.936 ppm2      1.693 CV     1
 ASSI {  647}
   (  segid "pupa" and resid 6    and name HD1%)
   (( segid "pupa" and resid 6    and name HG  ))
      2.000     0.500     0.500 peak   647 spectrum    3 weight  0.11000E+01 volume  0.14832E-01 ppm1      0.882 ppm2      1.629 CV     1
 ASSI {  648}
   (  segid "pupa" and resid 43   and name HD2%)
   (( segid "pupa" and resid 43   and name HB2 ))
      2.500     2.500     3.500 peak   648 spectrum    3 weight  0.11000E+01 volume  0.62511E-02 ppm1      0.807 ppm2      1.703 CV     1
 ASSI {  649}
   (  segid "pupa" and resid 56   and name HD1%)
   (( segid "pupa" and resid 56   and name HG  ))
      2.100     2.100     3.900 peak   649 spectrum    3 weight  0.11000E+01 volume  0.14544E-01 ppm1      0.737 ppm2      1.774 CV     1
 ASSI {  650}
   (  segid "pupa" and resid 38   and name HD1%)
   (( segid "pupa" and resid 13   and name HG2 ))
      3.000     3.000     3.000 peak   650 spectrum    3 weight  0.11000E+01 volume  0.83221E-03 ppm1      1.020 ppm2      2.177 CV     1
 ASSI {  651}
   (  segid "pupa" and resid 38   and name HD1%)
   (( segid "pupa" and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak   651 spectrum    3 weight  0.11000E+01 volume  0.63385E-02 ppm1      1.019 ppm2      1.788 CV     1
 ASSI {  652}
   (  segid "pupa" and resid 38   and name HD1%)
   (( segid "pupa" and resid 38   and name HG  ))
      1.900     0.500     0.500 peak   652 spectrum    3 weight  0.11000E+01 volume  0.20581E-01 ppm1      1.019 ppm2      1.647 CV     1
 ASSI {  653}
   (  segid "pupa" and resid 53   and name HD1%)
   (( segid "pupa" and resid 49   and name HG  ))
      3.000     1.100     1.100 peak   653 spectrum    3 weight  0.11000E+01 volume  0.15507E-02 ppm1      0.376 ppm2      1.592 CV     1
 ASSI {  654}
   (( segid "pupa" and resid 20   and name HG  ))
   (( segid "pupa" and resid 20   and name HB2 ))
      3.000     1.100     1.100 peak   654 spectrum    3 weight  0.11000E+01 volume  0.18540E-02 ppm1      1.099 ppm2      1.846 CV     1
 ASSI {  655}
   (( segid "pupa" and resid 8    and name HG11))
   (( segid "pupa" and resid 8    and name HG12))
      1.800     0.400     0.400 peak   655 spectrum    3 weight  0.11000E+01 volume  0.12105E-01 ppm1      0.964 ppm2      1.530 CV     1
 ASSI {  656}
   (  segid "pupa" and resid 62   and name HD1%)
   (  segid "pupa" and resid 13   and name HE% )
      2.100     2.100     3.900 peak   656 spectrum    3 weight  0.11000E+01 volume  0.70570E-02 ppm1      0.781 ppm2      1.892 CV     1
 ASSI {  657}
   (  segid "pupa" and resid 62   and name HD1%)
   (( segid "pupa" and resid 62   and name HB2 ))
      2.300     0.700     0.700 peak   657 spectrum    3 weight  0.11000E+01 volume  0.70345E-02 ppm1      0.784 ppm2      1.788 CV     1
 ASSI {  658}
   (  segid "pupa" and resid 28   and name HD1%)
   (( segid "pupa" and resid 28   and name HB1 ))
      2.400     0.700     0.700 peak   658 spectrum    3 weight  0.11000E+01 volume  0.87094E-02 ppm1      0.785 ppm2      1.570 CV     1
 ASSI {  659}
   (  segid "pupa" and resid 20   and name HD2%)
   (( segid "pupa" and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   659 spectrum    3 weight  0.11000E+01 volume  0.31932E-02 ppm1      0.550 ppm2      1.844 CV     1
 ASSI {  660}
   (  segid "pupa" and resid 28   and name HD1%)
   (( segid "pupa" and resid 71   and name HB  ))
      2.900     2.900     3.100 peak   660 spectrum    3 weight  0.11000E+01 volume  0.37397E-02 ppm1      0.785 ppm2      2.115 CV     1
 ASSI {  661}
   (  segid "pupa" and resid 57   and name HD1%)
   (( segid "pupa" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak   661 spectrum    3 weight  0.11000E+01 volume  0.49029E-02 ppm1      0.701 ppm2      1.865 CV     1
 ASSI {  663}
   (  segid "pupa" and resid 29   and name HD1%)
   (( segid "pupa" and resid 29   and name HG  ))
      2.800     1.000     1.000 peak   663 spectrum    3 weight  0.11000E+01 volume  0.25626E-02 ppm1      0.821 ppm2      1.482 CV     1
 ASSI {  664}
   (  segid "pupa" and resid 29   and name HD1%)
   (( segid "pupa" and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak   664 spectrum    3 weight  0.11000E+01 volume  0.32715E-02 ppm1      0.820 ppm2      1.914 CV     1
 ASSI {  665}
   (  segid "pupa" and resid 17   and name HD1%)
   (( segid "pupa" and resid 13   and name HG1 ))
      3.000     1.100     1.100 peak   665 spectrum    3 weight  0.11000E+01 volume  0.18422E-02 ppm1      0.056 ppm2      2.184 CV     1
 OR {  665}
   (  segid "pupa" and resid 17   and name HD1%)
   (( segid "pupa" and resid 13   and name HG2 ))
 ASSI {  666}
   (  segid "pupa" and resid 17   and name HD1%)
   (( segid "pupa" and resid 73   and name HB  ))
      3.600     1.600     1.600 peak   666 spectrum    3 weight  0.11000E+01 volume  0.72394E-03 ppm1      0.057 ppm2      1.978 CV     1
 ASSI {  667}
   (  segid "pupa" and resid 17   and name HD1%)
   (( segid "pupa" and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak   667 spectrum    3 weight  0.11000E+01 volume  0.62692E-02 ppm1      0.056 ppm2      1.608 CV     1
 ASSI {  668}
   (  segid "pupa" and resid 6    and name HD2%)
   (( segid "pupa" and resid 23   and name HB2 ))
      3.400     1.400     1.400 peak   668 spectrum    3 weight  0.11000E+01 volume  0.24145E-02 ppm1      0.732 ppm2      2.091 CV     1
 ASSI {  669}
   (  segid "pupa" and resid 6    and name HD2%)
   (( segid "pupa" and resid 6    and name HG  ))
      2.100     2.100     3.900 peak   669 spectrum    3 weight  0.11000E+01 volume  0.10622E-01 ppm1      0.732 ppm2      1.656 CV     1
 ASSI {  671}
   (  segid "pupa" and resid 43   and name HD1%)
   (( segid "pupa" and resid 55   and name HB  ))
      2.600     2.600     3.400 peak   671 spectrum    3 weight  0.11000E+01 volume  0.37928E-02 ppm1      0.591 ppm2      1.587 CV     1
 ASSI {  672}
   (  segid "pupa" and resid 28   and name HD2%)
   (( segid "pupa" and resid 71   and name HB  ))
      2.800     2.800     3.200 peak   672 spectrum    3 weight  0.11000E+01 volume  0.30486E-02 ppm1      0.679 ppm2      2.103 CV     1
 ASSI {  673}
   (  segid "pupa" and resid 28   and name HD2%)
   (( segid "pupa" and resid 28   and name HG  ))
      2.500     0.800     0.800 peak   673 spectrum    3 weight  0.11000E+01 volume  0.43903E-02 ppm1      0.679 ppm2      1.733 CV     1
 ASSI {  675}
   (  segid "pupa" and resid 20   and name HD1%)
   (( segid "pupa" and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   675 spectrum    3 weight  0.11000E+01 volume  0.24355E-02 ppm1      0.550 ppm2      1.847 CV     1
 ASSI {  676}
   (  segid "pupa" and resid 20   and name HD1%)
   (( segid "pupa" and resid 23   and name HB1 ))
      3.800     1.800     1.800 peak   676 spectrum    3 weight  0.11000E+01 volume  0.84177E-03 ppm1      0.549 ppm2      1.718 CV     1
 ASSI {  677}
   (  segid "pupa" and resid 20   and name HD1%)
   (( segid "pupa" and resid 49   and name HG  ))
      4.000     2.000     2.000 peak   677 spectrum    3 weight  0.11000E+01 volume  0.44552E-03 ppm1      0.548 ppm2      1.585 CV     1
 ASSI {  680}
   (  segid "pupa" and resid 29   and name HD2%)
   (( segid "pupa" and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak   680 spectrum    3 weight  0.11000E+01 volume  0.98895E-03 ppm1      0.808 ppm2      1.916 CV     1
 ASSI {  681}
   (  segid "pupa" and resid 29   and name HD2%)
   (( segid "pupa" and resid 29   and name HG  ))
      2.400     0.700     0.700 peak   681 spectrum    3 weight  0.11000E+01 volume  0.70714E-02 ppm1      0.809 ppm2      1.482 CV     1
 ASSI {  682}
   (  segid "pupa" and resid 53   and name HD2%)
   (( segid "pupa" and resid 66   and name HB  ))
      3.600     3.600     2.400 peak   682 spectrum    3 weight  0.11000E+01 volume  0.10116E-02 ppm1      0.370 ppm2      1.841 CV     1
 ASSI {  683}
   (  segid "pupa" and resid 53   and name HD2%)
   (( segid "pupa" and resid 66   and name HG11))
      4.600     4.600     1.400 peak   683 spectrum    3 weight  0.11000E+01 volume  0.35286E-03 ppm1      0.370 ppm2      1.740 CV     1
 OR {  683}
   (  segid "pupa" and resid 53   and name HD2%)
   (( segid "pupa" and resid 66   and name HG12))
 ASSI {  684}
   (  segid "pupa" and resid 53   and name HD2%)
   (( segid "pupa" and resid 49   and name HG  ))
      4.300     2.400     1.700 peak   684 spectrum    3 weight  0.11000E+01 volume  0.29713E-03 ppm1      0.372 ppm2      1.594 CV     1
 ASSI {  685}
   (  segid "pupa" and resid 49   and name HD1%)
   (( segid "pupa" and resid 49   and name HB2 ))
      2.200     0.600     0.600 peak   685 spectrum    3 weight  0.11000E+01 volume  0.11788E-01 ppm1      0.742 ppm2      1.919 CV     1
 OR {  685}
   (  segid "pupa" and resid 49   and name HD1%)
   (( segid "pupa" and resid 49   and name HB1 ))
 ASSI {  686}
   (  segid "pupa" and resid 38   and name HD2%)
   (( segid "pupa" and resid 38   and name HB2 ))
      3.300     1.300     1.300 peak   686 spectrum    3 weight  0.11000E+01 volume  0.23592E-02 ppm1      0.965 ppm2      1.786 CV     1
 ASSI {  687}
   (  segid "pupa" and resid 38   and name HD2%)
   (( segid "pupa" and resid 38   and name HG  ))
      2.300     0.700     0.700 peak   687 spectrum    3 weight  0.11000E+01 volume  0.71819E-02 ppm1      0.966 ppm2      1.644 CV     1
 ASSI {  688}
   (  segid "pupa" and resid 73   and name HG1%)
   (( segid "pupa" and resid 73   and name HB  ))
      2.300     0.700     0.700 peak   688 spectrum    3 weight  0.11000E+01 volume  0.67171E-02 ppm1      0.891 ppm2      1.973 CV     1
 ASSI {  690}
   (  segid "pupa" and resid 62   and name HD2%)
   (( segid "pupa" and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak   690 spectrum    3 weight  0.11000E+01 volume  0.79354E-02 ppm1      0.728 ppm2      1.806 CV     1
 ASSI {  691}
   (  segid "pupa" and resid 62   and name HD2%)
   (( segid "pupa" and resid 62   and name HG  ))
      2.100     2.100     3.900 peak   691 spectrum    3 weight  0.11000E+01 volume  0.12289E-01 ppm1      0.731 ppm2      1.582 CV     1
 ASSI {  692}
   (  segid "pupa" and resid 71   and name HG2%)
   (( segid "pupa" and resid 71   and name HB  ))
      2.200     2.200     3.800 peak   692 spectrum    3 weight  0.11000E+01 volume  0.90261E-02 ppm1      0.855 ppm2      2.103 CV     1
 ASSI {  693}
   (  segid "pupa" and resid 71   and name HG1%)
   (( segid "pupa" and resid 71   and name HB  ))
      2.300     0.700     0.700 peak   693 spectrum    3 weight  0.11000E+01 volume  0.74225E-02 ppm1      0.816 ppm2      2.107 CV     1
 ASSI {  694}
   (  segid "pupa" and resid 17   and name HD2%)
   (( segid "pupa" and resid 13   and name HG1 ))
      4.000     2.000     2.000 peak   694 spectrum    3 weight  0.11000E+01 volume  0.29870E-03 ppm1      0.499 ppm2      2.173 CV     1
 ASSI {  695}
   (  segid "pupa" and resid 17   and name HD2%)
   (( segid "pupa" and resid 20   and name HB2 ))
      3.200     3.200     2.800 peak   695 spectrum    3 weight  0.11000E+01 volume  0.19282E-02 ppm1      0.498 ppm2      1.854 CV     1
 ASSI {  696}
   (  segid "pupa" and resid 72   and name HG2%)
   (( segid "pupa" and resid 29   and name HB2 ))
      3.100     1.200     1.200 peak   696 spectrum    3 weight  0.11000E+01 volume  0.30776E-02 ppm1      1.137 ppm2      1.916 CV     1
 ASSI {  697}
   (  segid "pupa" and resid 72   and name HG2%)
   (( segid "pupa" and resid 29   and name HB1 ))
      2.500     2.500     3.500 peak   697 spectrum    3 weight  0.11000E+01 volume  0.52076E-02 ppm1      1.138 ppm2      1.487 CV     1
 ASSI {  698}
   (  segid "pupa" and resid 73   and name HG2%)
   (( segid "pupa" and resid 73   and name HB  ))
      2.300     0.700     0.700 peak   698 spectrum    3 weight  0.11000E+01 volume  0.79810E-02 ppm1      0.823 ppm2      1.975 CV     1
 ASSI {  701}
   (  segid "pupa" and resid 35   and name HG2%)
   (( segid "pupa" and resid 13   and name HG2 ))
      2.800     1.000     1.000 peak   701 spectrum    3 weight  0.11000E+01 volume  0.27874E-02 ppm1      0.700 ppm2      2.183 CV     1
 OR {  701}
   (  segid "pupa" and resid 35   and name HG2%)
   (( segid "pupa" and resid 13   and name HG1 ))
 ASSI {  702}
   (  segid "pupa" and resid 35   and name HG2%)
   (( segid "pupa" and resid 35   and name HB  ))
      2.200     0.600     0.600 peak   702 spectrum    3 weight  0.11000E+01 volume  0.84908E-02 ppm1      0.700 ppm2      1.970 CV     1
 ASSI {  704}
   (  segid "pupa" and resid 8    and name HG2%)
   (( segid "pupa" and resid 8    and name HG12))
      2.300     2.300     3.700 peak   704 spectrum    3 weight  0.11000E+01 volume  0.11636E-01 ppm1      0.850 ppm2      1.512 CV     1
 ASSI {  705}
   (  segid "pupa" and resid 66   and name HG2%)
   (( segid "pupa" and resid 66   and name HB  ))
      2.300     0.700     0.700 peak   705 spectrum    3 weight  0.11000E+01 volume  0.68721E-02 ppm1      0.963 ppm2      1.831 CV     1
 ASSI {  706}
   (  segid "pupa" and resid 55   and name HG2%)
   (( segid "pupa" and resid 55   and name HG12))
      2.400     2.400     3.600 peak   706 spectrum    3 weight  0.11000E+01 volume  0.65697E-02 ppm1      0.753 ppm2      1.701 CV     1
 ASSI {  707}
   (  segid "pupa" and resid 55   and name HG2%)
   (( segid "pupa" and resid 55   and name HB  ))
      2.400     0.700     0.700 peak   707 spectrum    3 weight  0.11000E+01 volume  0.62848E-02 ppm1      0.753 ppm2      1.587 CV     1
 ASSI {  708}
   (( segid "pupa" and resid 6    and name HB2 ))
   (  segid "pupa" and resid 6    and name HD1%)
      2.600     0.800     0.800 peak   708 spectrum    3 weight  0.11000E+01 volume  0.38681E-02 ppm1      1.664 ppm2      0.878 CV     1
 ASSI {  709}
   (( segid "pupa" and resid 6    and name HB2 ))
   (  segid "pupa" and resid 6    and name HD2%)
      3.400     1.400     1.400 peak   709 spectrum    3 weight  0.11000E+01 volume  0.25151E-02 ppm1      1.666 ppm2      0.742 CV     1
 ASSI {  711}
   (( segid "pupa" and resid 43   and name HB2 ))
   (  segid "pupa" and resid 43   and name HD1%)
      3.400     1.400     1.400 peak   711 spectrum    3 weight  0.11000E+01 volume  0.95222E-03 ppm1      1.710 ppm2      0.591 CV     1
 ASSI {  713}
   (( segid "pupa" and resid 56   and name HB2 ))
   (  segid "pupa" and resid 56   and name HD2%)
      2.500     2.500     3.500 peak   713 spectrum    3 weight  0.11000E+01 volume  0.11526E-01 ppm1      1.767 ppm2      0.751 CV     1
 ASSI {  714}
   (( segid "pupa" and resid 56   and name HB2 ))
   (  segid "pupa" and resid 43   and name HD1%)
      3.900     1.900     1.900 peak   714 spectrum    3 weight  0.11000E+01 volume  0.29647E-03 ppm1      1.766 ppm2      0.538 CV     1
 ASSI {  716}
   (( segid "pupa" and resid 28   and name HB1 ))
   (  segid "pupa" and resid 28   and name HD2%)
      3.700     1.700     1.700 peak   716 spectrum    3 weight  0.11000E+01 volume  0.44383E-03 ppm1      1.558 ppm2      0.671 CV     1
 ASSI {  718}
   (( segid "pupa" and resid 62   and name HB2 ))
   (  segid "pupa" and resid 73   and name HG1%)
      3.300     1.300     1.300 peak   718 spectrum    3 weight  0.11000E+01 volume  0.15145E-02 ppm1      1.795 ppm2      0.886 CV     1
 ASSI {  719}
   (( segid "pupa" and resid 29   and name HB1 ))
   (  segid "pupa" and resid 29   and name HD2%)
      2.600     0.800     0.800 peak   719 spectrum    3 weight  0.11000E+01 volume  0.47547E-02 ppm1      1.484 ppm2      0.812 CV     1
 ASSI {  720}
   (( segid "pupa" and resid 49   and name HB1 ))
   (  segid "pupa" and resid 66   and name HD1%)
      2.800     2.800     3.200 peak   720 spectrum    3 weight  0.11000E+01 volume  0.29001E-02 ppm1      1.923 ppm2      0.987 CV     1
 OR {  720}
   (( segid "pupa" and resid 49   and name HB2 ))
   (  segid "pupa" and resid 66   and name HD1%)
 ASSI {  721}
   (( segid "pupa" and resid 49   and name HB1 ))
   (  segid "pupa" and resid 49   and name HD2%)
      2.200     0.600     0.600 peak   721 spectrum    3 weight  0.11000E+01 volume  0.10767E-01 ppm1      1.923 ppm2      0.858 CV     1
 OR {  721}
   (( segid "pupa" and resid 49   and name HB2 ))
   (  segid "pupa" and resid 49   and name HD2%)
 ASSI {  723}
   (( segid "pupa" and resid 57   and name HB2 ))
   (  segid "pupa" and resid 57   and name HD2%)
      2.400     0.700     0.700 peak   723 spectrum    3 weight  0.11000E+01 volume  0.65984E-02 ppm1      1.881 ppm2      0.711 CV     1
 ASSI {  726}
   (( segid "pupa" and resid 17   and name HB2 ))
   (( segid "pupa" and resid 17   and name HB1 ))
      1.800     0.400     0.400 peak   726 spectrum    3 weight  0.11000E+01 volume  0.12528E-01 ppm1      1.637 ppm2      1.012 CV     1
 ASSI {  728}
   (( segid "pupa" and resid 17   and name HB2 ))
   (  segid "pupa" and resid 17   and name HD2%)
      3.700     1.700     1.700 peak   728 spectrum    3 weight  0.11000E+01 volume  0.12700E-02 ppm1      1.633 ppm2      0.508 CV     1
 ASSI {  730}
   (( segid "pupa" and resid 8    and name HB  ))
   (  segid "pupa" and resid 8    and name HG2%)
      2.200     0.600     0.600 peak   730 spectrum    3 weight  0.11000E+01 volume  0.83040E-02 ppm1      1.905 ppm2      0.845 CV     1
 ASSI {  732}
   (( segid "pupa" and resid 35   and name HB  ))
   (  segid "pupa" and resid 38   and name HD1%)
      3.700     1.700     1.700 peak   732 spectrum    3 weight  0.11000E+01 volume  0.63404E-03 ppm1      1.973 ppm2      1.025 CV     1
 ASSI {  735}
   (( segid "pupa" and resid 55   and name HB  ))
   (( segid "pupa" and resid 55   and name HG11))
      3.300     1.400     1.400 peak   735 spectrum    3 weight  0.11000E+01 volume  0.66009E-03 ppm1      1.588 ppm2      0.925 CV     1
 ASSI {  738}
   (( segid "pupa" and resid 55   and name HB  ))
   (  segid "pupa" and resid 55   and name HD1%)
      2.800     1.000     1.000 peak   738 spectrum    3 weight  0.11000E+01 volume  0.30392E-02 ppm1      1.581 ppm2      0.468 CV     1
 ASSI {  739}
   (( segid "pupa" and resid 71   and name HB  ))
   (  segid "pupa" and resid 26   and name HG2%)
      4.800     4.800     1.200 peak   739 spectrum    3 weight  0.11000E+01 volume  0.22843E-03 ppm1      2.107 ppm2      0.986 CV     1
 ASSI {  747}
   (( segid "pupa" and resid 55   and name HG12))
   (  segid "pupa" and resid 55   and name HD1%)
      2.500     0.800     0.800 peak   747 spectrum    3 weight  0.11000E+01 volume  0.48364E-02 ppm1      1.694 ppm2      0.470 CV     1
 ASSI {  748}
   (( segid "pupa" and resid 23   and name HB2 ))
   (  segid "pupa" and resid 8    and name HD1%)
      3.000     3.000     3.000 peak   748 spectrum    3 weight  0.11000E+01 volume  0.29584E-02 ppm1      2.090 ppm2      0.729 CV     1
 ASSI {  749}
   (( segid "pupa" and resid 23   and name HB1 ))
   (  segid "pupa" and resid 8    and name HD1%)
      2.800     2.800     3.200 peak   749 spectrum    3 weight  0.11000E+01 volume  0.53743E-02 ppm1      1.702 ppm2      0.733 CV     1
 ASSI {  750}
   (( segid "pupa" and resid 66   and name HG12))
   (  segid "pupa" and resid 66   and name HD1%)
      1.900     1.900     4.100 peak   750 spectrum    3 weight  0.11000E+01 volume  0.26570E-01 ppm1      1.732 ppm2      0.988 CV     1
 ASSI {  752}
   (( segid "pupa" and resid 57   and name HG  ))
   (  segid "pupa" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak   752 spectrum    3 weight  0.11000E+01 volume  0.48972E-02 ppm1      1.847 ppm2      0.728 CV     1
 ASSI {  761}
   (( segid "pupa" and resid 17   and name HG  ))
   (  segid "pupa" and resid 17   and name HD1%)
      2.700     0.900     0.900 peak   761 spectrum    3 weight  0.11000E+01 volume  0.26136E-02 ppm1      1.587 ppm2      0.057 CV     1
 ASSI {  762}
   (  segid "pupa" and resid 16   and name HB% )
   (  segid "pupa" and resid 8    and name HG2%)
      2.500     2.500     3.500 peak   762 spectrum    3 weight  0.11000E+01 volume  0.51580E-02 ppm1      1.476 ppm2      0.848 CV     1
 ASSI {  763}
   (  segid "pupa" and resid 16   and name HB% )
   (  segid "pupa" and resid 56   and name HD2%)
      2.500     2.500     3.500 peak   763 spectrum    3 weight  0.11000E+01 volume  0.60565E-02 ppm1      1.476 ppm2      0.756 CV     1
 ASSI {  764}
   (  segid "pupa" and resid 16   and name HB% )
   (  segid "pupa" and resid 17   and name HD2%)
      4.300     2.300     1.700 peak   764 spectrum    3 weight  0.11000E+01 volume  0.28690E-03 ppm1      1.476 ppm2      0.509 CV     1
 ASSI {  765}
   (  segid "pupa" and resid 21   and name HB% )
   (  segid "pupa" and resid 28   and name HD1%)
      2.900     2.900     3.100 peak   765 spectrum    3 weight  0.11000E+01 volume  0.22471E-02 ppm1      1.560 ppm2      0.787 CV     1
 ASSI {  766}
   (  segid "pupa" and resid 21   and name HB% )
   (  segid "pupa" and resid 28   and name HD2%)
      2.900     2.900     3.100 peak   766 spectrum    3 weight  0.11000E+01 volume  0.29689E-02 ppm1      1.560 ppm2      0.680 CV     1
 ASSI {  767}
   (  segid "pupa" and resid 13   and name HE% )
   (  segid "pupa" and resid 38   and name HD1%)
      2.800     2.800     3.200 peak   767 spectrum    3 weight  0.11000E+01 volume  0.27701E-02 ppm1      1.903 ppm2      1.001 CV     1
 ASSI {  769}
   (  segid "pupa" and resid 19   and name HB% )
   (( segid "pupa" and resid 8    and name HG11))
      3.300     3.300     2.700 peak   769 spectrum    3 weight  0.11000E+01 volume  0.17797E-02 ppm1      1.527 ppm2      0.968 CV     1
 ASSI {  770}
   (  segid "pupa" and resid 19   and name HB% )
   (  segid "pupa" and resid 8    and name HG2%)
      2.800     2.800     3.200 peak   770 spectrum    3 weight  0.11000E+01 volume  0.47621E-02 ppm1      1.529 ppm2      0.848 CV     1
 ASSI {  771}
   (  segid "pupa" and resid 19   and name HB% )
   (  segid "pupa" and resid 8    and name HD1%)
      2.700     2.700     3.300 peak   771 spectrum    3 weight  0.11000E+01 volume  0.39508E-02 ppm1      1.528 ppm2      0.731 CV     1
 ASSI {  772}
   (  segid "pupa" and resid 35   and name HD1%)
   (  segid "pupa" and resid 17   and name HD1%)
      2.400     2.400     3.600 peak   772 spectrum    3 weight  0.11000E+01 volume  0.29649E-02 ppm1      0.568 ppm2      0.059 CV     1
 ASSI {  773}
   (( segid "pupa" and resid 53   and name HB2 ))
   (( segid "pupa" and resid 53   and name HB1 ))
      1.800     0.400     0.400 peak   773 spectrum    3 weight  0.11000E+01 volume  0.12982E-01 ppm1      1.017 ppm2      0.214 CV     1
 ASSI {  774}
   (( segid "pupa" and resid 17   and name HB1 ))
   (  segid "pupa" and resid 17   and name HD1%)
      2.600     0.900     0.900 peak   774 spectrum    3 weight  0.11000E+01 volume  0.39695E-02 ppm1      1.012 ppm2      0.061 CV     1
 ASSI {  775}
   (  segid "pupa" and resid 6    and name HD1%)
   (  segid "pupa" and resid 24   and name HG2%)
      3.300     3.300     2.700 peak   775 spectrum    3 weight  0.11000E+01 volume  0.13643E-02 ppm1      0.882 ppm2     -0.081 CV     1
 ASSI {  776}
   (  segid "pupa" and resid 28   and name HD1%)
   (  segid "pupa" and resid 17   and name HD1%)
      3.300     3.300     2.700 peak   776 spectrum    3 weight  0.11000E+01 volume  0.15756E-02 ppm1      0.787 ppm2      0.057 CV     1
 ASSI {  777}
   (  segid "pupa" and resid 6    and name HD2%)
   (  segid "pupa" and resid 24   and name HG2%)
      2.600     0.900     0.900 peak   777 spectrum    3 weight  0.11000E+01 volume  0.33396E-02 ppm1      0.731 ppm2     -0.077 CV     1
 ASSI {  778}
   (  segid "pupa" and resid 20   and name HD1%)
   (  segid "pupa" and resid 24   and name HG2%)
      2.700     2.700     3.300 peak   778 spectrum    3 weight  0.11000E+01 volume  0.43993E-02 ppm1      0.550 ppm2     -0.079 CV     1
 ASSI {  779}
   (  segid "pupa" and resid 49   and name HD1%)
   (  segid "pupa" and resid 24   and name HG2%)
      2.800     2.800     3.200 peak   779 spectrum    3 weight  0.11000E+01 volume  0.24473E-02 ppm1      0.742 ppm2     -0.080 CV     1
 ASSI {  780}
   (  segid "pupa" and resid 73   and name HG1%)
   (  segid "pupa" and resid 17   and name HD1%)
      2.800     2.800     3.200 peak   780 spectrum    3 weight  0.11000E+01 volume  0.11967E-02 ppm1      0.890 ppm2      0.055 CV     1
 ASSI {  781}
   (  segid "pupa" and resid 17   and name HD2%)
   (  segid "pupa" and resid 17   and name HD1%)
      2.400     0.700     0.700 peak   781 spectrum    3 weight  0.11000E+01 volume  0.70651E-02 ppm1      0.499 ppm2      0.060 CV     1
 ASSI {  782}
   (  segid "pupa" and resid 35   and name HG2%)
   (  segid "pupa" and resid 17   and name HD1%)
      2.700     2.700     3.300 peak   782 spectrum    3 weight  0.11000E+01 volume  0.17917E-02 ppm1      0.700 ppm2      0.059 CV     1
 ASSI {  783}
   (( segid "pupa" and resid 53   and name HB1 ))
   (( segid "pupa" and resid 53   and name HG  ))
      3.400     1.400     1.400 peak   783 spectrum    3 weight  0.11000E+01 volume  0.11827E-02 ppm1      0.211 ppm2      1.255 CV     1
 ASSI {  785}
   (( segid "pupa" and resid 53   and name HB1 ))
   (  segid "pupa" and resid 56   and name HD1%)
      4.600     4.600     1.400 peak   785 spectrum    3 weight  0.11000E+01 volume  0.30386E-03 ppm1      0.211 ppm2      0.721 CV     1
 ASSI {  792}
   (  segid "pupa" and resid 24   and name HG2%)
   (  segid "pupa" and resid 20   and name HD2%)
      2.600     2.600     3.400 peak   792 spectrum    3 weight  0.11000E+01 volume  0.55376E-02 ppm1     -0.079 ppm2      0.551 CV     1
 ASSI {  793}
   (  segid "pupa" and resid 24   and name HG2%)
   (( segid "pupa" and resid 20   and name HG  ))
      3.500     3.500     2.500 peak   793 spectrum    3 weight  0.11000E+01 volume  0.93142E-03 ppm1     -0.080 ppm2      1.109 CV     1
 ASSI {  794}
   (( segid "pupa" and resid 44   and name HA  ))
   (( segid "pupa" and resid 7    and name HA  ))
      2.900     1.100     1.100 peak   794 spectrum    3 weight  0.11000E+01 volume  0.17969E-02 ppm1      5.045 ppm2      4.891 CV     1
 ASSI {  795}
   (( segid "pupa" and resid 64   and name HA  ))
   (  segid "pupa" and resid 64   and name HD% )
      4.000     2.000     2.000 peak   795 spectrum    3 weight  0.11000E+01 volume  0.81115E-03 ppm1      5.925 ppm2      6.739 CV     1
 ASSI {  796}
   (( segid "pupa" and resid 73   and name HA  ))
   (( segid "pupa" and resid 73   and name HB  ))
      2.900     1.100     1.100 peak   796 spectrum    3 weight  0.11000E+01 volume  0.21739E-02 ppm1      5.112 ppm2      1.977 CV     1
 ASSI {  798}
   (( segid "pupa" and resid 30   and name HA  ))
   (  segid "pupa" and resid 29   and name HD1%)
      3.500     3.500     2.500 peak   798 spectrum    3 weight  0.11000E+01 volume  0.33931E-03 ppm1      4.903 ppm2      0.829 CV     1
 ASSI {  799}
   (( segid "pupa" and resid 30   and name HA  ))
   (  segid "pupa" and resid 30   and name HD% )
      4.100     2.100     1.900 peak   799 spectrum    3 weight  0.11000E+01 volume  0.65010E-03 ppm1      4.903 ppm2      6.552 CV     1
 ASSI {  800}
   (( segid "pupa" and resid 41   and name HA  ))
   (( segid "pupa" and resid 41   and name HB2 ))
      2.900     1.000     1.000 peak   800 spectrum    3 weight  0.11000E+01 volume  0.21881E-02 ppm1      4.708 ppm2      4.091 CV     1
 ASSI {  801}
   (( segid "pupa" and resid 4    and name HA  ))
   (( segid "pupa" and resid 4    and name HD1 ))
      3.800     1.800     1.800 peak   801 spectrum    3 weight  0.11000E+01 volume  0.52107E-03 ppm1      4.781 ppm2      7.278 CV     1
 ASSI {  802}
   (( segid "pupa" and resid 65   and name HA  ))
   (( segid "pupa" and resid 64   and name HD2 ))
      3.600     3.600     2.400 peak   802 spectrum    3 weight  0.11000E+01 volume  0.58177E-03 ppm1      4.571 ppm2      6.738 CV     1
 ASSI {  803}
   (( segid "pupa" and resid 13   and name HA  ))
   (( segid "pupa" and resid 40   and name HB1 ))
      2.900     2.900     3.100 peak   803 spectrum    3 weight  0.11000E+01 volume  0.15254E-02 ppm1      4.319 ppm2      3.605 CV     1
 ASSI {  804}
   (( segid "pupa" and resid 13   and name HA  ))
   (( segid "pupa" and resid 16   and name HA  ))
      4.400     2.400     1.600 peak   804 spectrum    3 weight  0.11000E+01 volume  0.68852E-03 ppm1      4.323 ppm2      3.830 CV     1
 ASSI {  805}
   (( segid "pupa" and resid 13   and name HA  ))
   (( segid "pupa" and resid 15   and name HB2 ))
      4.000     2.000     2.000 peak   805 spectrum    3 weight  0.11000E+01 volume  0.63042E-03 ppm1      4.318 ppm2      4.025 CV     1
 ASSI {  806}
   (( segid "pupa" and resid 76   and name HA  ))
   (( segid "pupa" and resid 76   and name HB1 ))
      2.600     0.900     0.900 peak   806 spectrum    3 weight  0.11000E+01 volume  0.43583E-02 ppm1      4.325 ppm2      3.851 CV     1
 OR {  806}
   (( segid "pupa" and resid 76   and name HA  ))
   (( segid "pupa" and resid 76   and name HB2 ))
 ASSI {  807}
   (( segid "pupa" and resid 74   and name HA  ))
   (( segid "pupa" and resid 74   and name HB  ))
      2.600     0.800     0.800 peak   807 spectrum    3 weight  0.11000E+01 volume  0.37700E-02 ppm1      4.658 ppm2      4.148 CV     1
 ASSI {  811}
   (( segid "pupa" and resid 9    and name HA  ))
   (( segid "pupa" and resid 15   and name HB2 ))
      4.000     2.000     2.000 peak   811 spectrum    3 weight  0.11000E+01 volume  0.15208E-02 ppm1      4.330 ppm2      4.033 CV     1
 ASSI {  812}
   (( segid "pupa" and resid 60   and name HA  ))
   (( segid "pupa" and resid 60   and name HB  ))
      2.500     0.800     0.800 peak   812 spectrum    3 weight  0.11000E+01 volume  0.49764E-02 ppm1      4.517 ppm2      4.300 CV     1
 ASSI {  814}
   (( segid "pupa" and resid 12   and name HB2 ))
   (( segid "pupa" and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   814 spectrum    3 weight  0.11000E+01 volume  0.43945E-02 ppm1      4.211 ppm2      4.425 CV     1
 ASSI {  815}
   (( segid "pupa" and resid 12   and name HB1 ))
   (( segid "pupa" and resid 12   and name HA  ))
      2.400     0.700     0.700 peak   815 spectrum    3 weight  0.11000E+01 volume  0.43725E-02 ppm1      4.155 ppm2      4.424 CV     1
 ASSI {  816}
   (( segid "pupa" and resid 2    and name HA  ))
   (( segid "pupa" and resid 2    and name HB1 ))
      2.900     1.000     1.000 peak   816 spectrum    3 weight  0.11000E+01 volume  0.23306E-02 ppm1      3.911 ppm2      1.513 CV     1
 ASSI {  817}
   (( segid "pupa" and resid 16   and name HA  ))
   (  segid "pupa" and resid 17   and name HD2%)
      4.500     4.500     1.500 peak   817 spectrum    3 weight  0.11000E+01 volume  0.26163E-03 ppm1      3.811 ppm2      0.505 CV     1
 ASSI {  818}
   (( segid "pupa" and resid 49   and name HA  ))
   (( segid "pupa" and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak   818 spectrum    3 weight  0.11000E+01 volume  0.63111E-03 ppm1      4.095 ppm2      3.436 CV     1
 ASSI {  819}
   (( segid "pupa" and resid 49   and name HA  ))
   (( segid "pupa" and resid 4    and name HZ3 ))
      4.300     2.300     1.700 peak   819 spectrum    3 weight  0.11000E+01 volume  0.63023E-03 ppm1      4.098 ppm2      6.927 CV     1
 ASSI {  820}
   (( segid "pupa" and resid 49   and name HA  ))
   (( segid "pupa" and resid 4    and name HE3 ))
      4.300     2.300     1.700 peak   820 spectrum    3 weight  0.11000E+01 volume  0.31946E-03 ppm1      4.098 ppm2      7.675 CV     1
 ASSI {  821}
   (( segid "pupa" and resid 24   and name HA  ))
   (( segid "pupa" and resid 24   and name HB  ))
      2.500     0.800     0.800 peak   821 spectrum    3 weight  0.11000E+01 volume  0.47210E-02 ppm1      3.225 ppm2      2.846 CV     1
 ASSI {  822}
   (( segid "pupa" and resid 24   and name HA  ))
   (( segid "pupa" and resid 4    and name HD1 ))
      3.300     3.300     2.700 peak   822 spectrum    3 weight  0.11000E+01 volume  0.46502E-03 ppm1      3.226 ppm2      7.289 CV     1
 ASSI {  823}
   (( segid "pupa" and resid 12   and name HA  ))
   (( segid "pupa" and resid 12   and name HB1 ))
      2.100     0.600     0.600 peak   823 spectrum    3 weight  0.11000E+01 volume  0.97921E-02 ppm1      4.428 ppm2      4.179 CV     1
 OR {  823}
   (( segid "pupa" and resid 12   and name HA  ))
   (( segid "pupa" and resid 12   and name HB2 ))
 ASSI {  824}
   (( segid "pupa" and resid 40   and name HB2 ))
   (( segid "pupa" and resid 40   and name HB1 ))
      1.900     1.900     4.100 peak   824 spectrum    3 weight  0.11000E+01 volume  0.85120E-02 ppm1      4.022 ppm2      3.603 CV     1
 ASSI {  829}
   (( segid "pupa" and resid 40   and name HB2 ))
   (( segid "pupa" and resid 13   and name HA  ))
      4.600     2.700     1.400 peak   829 spectrum    3 weight  0.11000E+01 volume  0.37165E-03 ppm1      4.018 ppm2      4.297 CV     1
 ASSI {  832}
   (( segid "pupa" and resid 41   and name HB2 ))
   (( segid "pupa" and resid 41   and name HB1 ))
      1.900     1.900     4.100 peak   832 spectrum    3 weight  0.11000E+01 volume  0.11553E-01 ppm1      4.103 ppm2      3.841 CV     1
 ASSI {  833}
   (( segid "pupa" and resid 41   and name HB2 ))
   (  segid "pupa" and resid 56   and name HD2%)
      3.400     3.400     2.600 peak   833 spectrum    3 weight  0.11000E+01 volume  0.43285E-03 ppm1      4.107 ppm2      0.759 CV     1
 ASSI {  835}
   (( segid "pupa" and resid 1    and name HB1 ))
   (( segid "pupa" and resid 1    and name HA  ))
      3.400     1.400     1.400 peak   835 spectrum    3 weight  0.11000E+01 volume  0.92248E-03 ppm1      3.886 ppm2      4.544 CV     1
 ASSI {  836}
   (( segid "pupa" and resid 52   and name HB2 ))
   (( segid "pupa" and resid 52   and name HB1 ))
      2.000     2.000     4.000 peak   836 spectrum    3 weight  0.11000E+01 volume  0.78017E-02 ppm1      3.981 ppm2      3.431 CV     1
 ASSI {  837}
   (( segid "pupa" and resid 52   and name HA  ))
   (( segid "pupa" and resid 52   and name HB1 ))
      2.600     0.900     0.900 peak   837 spectrum    3 weight  0.11000E+01 volume  0.43764E-02 ppm1      3.751 ppm2      3.431 CV     1
 ASSI {  838}
   (( segid "pupa" and resid 52   and name HA  ))
   (( segid "pupa" and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   838 spectrum    3 weight  0.11000E+01 volume  0.44895E-02 ppm1      3.751 ppm2      3.977 CV     1
 ASSI {  843}
   (( segid "pupa" and resid 15   and name HB1 ))
   (( segid "pupa" and resid 15   and name HB2 ))
      1.800     0.400     0.400 peak   843 spectrum    3 weight  0.11000E+01 volume  0.13638E-01 ppm1      3.862 ppm2      4.041 CV     1
 ASSI {  844}
   (( segid "pupa" and resid 15   and name HB1 ))
   (( segid "pupa" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak   844 spectrum    3 weight  0.11000E+01 volume  0.38117E-02 ppm1      3.861 ppm2      4.168 CV     1
 ASSI {  845}
   (( segid "pupa" and resid 5    and name HB  ))
   (( segid "pupa" and resid 5    and name HA  ))
      2.800     1.000     1.000 peak   845 spectrum    3 weight  0.11000E+01 volume  0.25164E-02 ppm1      4.106 ppm2      4.425 CV     1
 ASSI {  846}
   (( segid "pupa" and resid 26   and name HB  ))
   (( segid "pupa" and resid 21   and name HA  ))
      3.800     1.800     1.800 peak   846 spectrum    3 weight  0.11000E+01 volume  0.70545E-03 ppm1      3.636 ppm2      3.907 CV     1
 ASSI {  851}
   (( segid "pupa" and resid 68   and name HA2 ))
   (( segid "pupa" and resid 68   and name HA1 ))
      1.900     0.500     0.500 peak   851 spectrum    3 weight  0.11000E+01 volume  0.12888E-01 ppm1      4.046 ppm2      3.666 CV     1
 ASSI {  855}
   (( segid "pupa" and resid 32   and name HD1 ))
   (( segid "pupa" and resid 32   and name HD2 ))
      1.800     0.400     0.400 peak   855 spectrum    3 weight  0.11000E+01 volume  0.13645E-01 ppm1      3.914 ppm2      4.003 CV     1
 ASSI {  856}
   (( segid "pupa" and resid 10   and name HA  ))
   (( segid "pupa" and resid 39   and name HB1 ))
      3.800     3.800     2.200 peak   856 spectrum    3 weight  0.11000E+01 volume  0.10531E-02 ppm1      3.908 ppm2      1.555 CV     1
 ASSI {  857}
   (( segid "pupa" and resid 42   and name HA  ))
   (( segid "pupa" and resid 43   and name HB2 ))
      4.700     2.700     1.300 peak   857 spectrum    3 weight  0.11000E+01 volume  0.38066E-03 ppm1      4.037 ppm2      1.706 CV     1
 ASSI {  858}
   (( segid "pupa" and resid 42   and name HA  ))
   (( segid "pupa" and resid 9    and name HA  ))
      3.200     3.200     2.800 peak   858 spectrum    3 weight  0.11000E+01 volume  0.13181E-02 ppm1      4.035 ppm2      4.336 CV     1
 ASSI {  859}
   (( segid "pupa" and resid 10   and name HA  ))
   (( segid "pupa" and resid 11   and name HA  ))
      4.200     2.200     1.800 peak   859 spectrum    3 weight  0.11000E+01 volume  0.33268E-03 ppm1      3.904 ppm2      4.700 CV     1
 ASSI {  860}
   (( segid "pupa" and resid 63   and name HA  ))
   (( segid "pupa" and resid 64   and name HD1 ))
      3.900     1.900     1.900 peak   860 spectrum    3 weight  0.11000E+01 volume  0.77305E-03 ppm1      4.634 ppm2      6.735 CV     1
 ASSI {  861}
   (( segid "pupa" and resid 3    and name HA  ))
   (( segid "pupa" and resid 48   and name HB1 ))
      4.500     2.500     1.500 peak   861 spectrum    3 weight  0.11000E+01 volume  0.40028E-03 ppm1      4.434 ppm2      2.756 CV     1
 ASSI {  862}
   (( segid "pupa" and resid 3    and name HA  ))
   (( segid "pupa" and resid 48   and name HB2 ))
      4.400     2.400     1.600 peak   862 spectrum    3 weight  0.11000E+01 volume  0.21605E-03 ppm1      4.436 ppm2      3.398 CV     1
 ASSI {  863}
   (( segid "pupa" and resid 11   and name HA  ))
   (( segid "pupa" and resid 39   and name HB1 ))
      4.100     2.200     1.900 peak   863 spectrum    3 weight  0.11000E+01 volume  0.23820E-03 ppm1      4.708 ppm2      1.584 CV     1
 ASSI {  864}
   (( segid "pupa" and resid 11   and name HA  ))
   (  segid "pupa" and resid 10   and name HB% )
      4.200     2.300     1.800 peak   864 spectrum    3 weight  0.11000E+01 volume  0.25887E-03 ppm1      4.708 ppm2      1.356 CV     1
 ASSI {  865}
   (( segid "pupa" and resid 11   and name HA  ))
   (( segid "pupa" and resid 39   and name HB2 ))
      4.700     2.800     1.300 peak   865 spectrum    3 weight  0.11000E+01 volume  0.98583E-04 ppm1      4.708 ppm2      1.826 CV     1
 ASSI {  866}
   (( segid "pupa" and resid 16   and name HA  ))
   (( segid "pupa" and resid 9    and name HB2 ))
      4.800     4.800     1.200 peak   866 spectrum    3 weight  0.11000E+01 volume  0.98977E-04 ppm1      3.814 ppm2      2.385 CV     1
 ASSI {  867}
   (( segid "pupa" and resid 9    and name HD1 ))
   (( segid "pupa" and resid 9    and name HA  ))
      3.800     1.800     1.800 peak   867 spectrum    3 weight  0.11000E+01 volume  0.50341E-03 ppm1      3.580 ppm2      4.327 CV     1
 OR {  867}
   (( segid "pupa" and resid 9    and name HD2 ))
   (( segid "pupa" and resid 9    and name HA  ))
 ASSI {  868}
   (( segid "pupa" and resid 61   and name HA2 ))
   (( segid "pupa" and resid 61   and name HA1 ))
      1.900     0.400     0.400 peak   868 spectrum    3 weight  0.11000E+01 volume  0.14013E-01 ppm1      4.163 ppm2      3.867 CV     1
 ASSI {  869}
   (( segid "pupa" and resid 59   and name HA2 ))
   (( segid "pupa" and resid 59   and name HA1 ))
      1.900     0.400     0.400 peak   869 spectrum    3 weight  0.11000E+01 volume  0.15408E-01 ppm1      4.236 ppm2      3.900 CV     1
 ASSI {  870}
   (( segid "pupa" and resid 54   and name HD2 ))
   (( segid "pupa" and resid 54   and name HB2 ))
      3.000     1.100     1.100 peak   870 spectrum    3 weight  0.11000E+01 volume  0.20704E-02 ppm1      3.307 ppm2      2.060 CV     1
 OR {  870}
   (( segid "pupa" and resid 54   and name HD1 ))
   (( segid "pupa" and resid 54   and name HB2 ))
 ASSI {  871}
   (( segid "pupa" and resid 67   and name HB2 ))
   (( segid "pupa" and resid 67   and name HB1 ))
      1.900     0.400     0.400 peak   871 spectrum    3 weight  0.11000E+01 volume  0.14849E-01 ppm1      2.715 ppm2      2.491 CV     1
 ASSI {  873}
   (( segid "pupa" and resid 34   and name HB1 ))
   (( segid "pupa" and resid 34   and name HB2 ))
      1.900     0.400     0.400 peak   873 spectrum    3 weight  0.11000E+01 volume  0.14002E-01 ppm1      2.583 ppm2      2.999 CV     1
 ASSI {  875}
   (( segid "pupa" and resid 48   and name HB1 ))
   (( segid "pupa" and resid 3    and name HG2 ))
      4.100     2.100     1.900 peak   875 spectrum    3 weight  0.11000E+01 volume  0.52058E-03 ppm1      2.750 ppm2      2.090 CV     1
 ASSI {  876}
   (( segid "pupa" and resid 7    and name HB2 ))
   (( segid "pupa" and resid 7    and name HB1 ))
      1.900     0.500     0.500 peak   876 spectrum    3 weight  0.11000E+01 volume  0.11824E-01 ppm1      2.839 ppm2      2.517 CV     1
 ASSI {  878}
   (( segid "pupa" and resid 64   and name HB1 ))
   (  segid "pupa" and resid 64   and name HD% )
      2.500     0.800     0.800 peak   878 spectrum    3 weight  0.11000E+01 volume  0.47444E-02 ppm1      2.624 ppm2      6.734 CV     1
 OR {  878}
   (( segid "pupa" and resid 64   and name HB2 ))
   (  segid "pupa" and resid 64   and name HD% )
 ASSI {  880}
   (( segid "pupa" and resid 25   and name HB2 ))
   (( segid "pupa" and resid 25   and name HB1 ))
      1.900     0.500     0.500 peak   880 spectrum    3 weight  0.11000E+01 volume  0.13505E-01 ppm1      3.142 ppm2      2.683 CV     1
 ASSI {  882}
   (( segid "pupa" and resid 30   and name HB2 ))
   (  segid "pupa" and resid 30   and name HD% )
      2.800     1.000     1.000 peak   882 spectrum    3 weight  0.11000E+01 volume  0.21908E-02 ppm1      3.310 ppm2      6.548 CV     1
 ASSI {  883}
   (( segid "pupa" and resid 30   and name HB1 ))
   (  segid "pupa" and resid 30   and name HD% )
      2.800     1.000     1.000 peak   883 spectrum    3 weight  0.11000E+01 volume  0.23036E-02 ppm1      2.760 ppm2      6.545 CV     1
 ASSI {  885}
   (( segid "pupa" and resid 30   and name HB1 ))
   (( segid "pupa" and resid 30   and name HB2 ))
      1.900     0.400     0.400 peak   885 spectrum    3 weight  0.11000E+01 volume  0.10497E-01 ppm1      2.758 ppm2      3.311 CV     1
 ASSI {  886}
   (( segid "pupa" and resid 30   and name HB1 ))
   (  segid "pupa" and resid 29   and name HD1%)
      3.300     3.300     2.700 peak   886 spectrum    3 weight  0.11000E+01 volume  0.47945E-03 ppm1      2.759 ppm2      0.830 CV     1
 ASSI {  887}
   (( segid "pupa" and resid 30   and name HB1 ))
   (  segid "pupa" and resid 35   and name HG2%)
      4.400     2.400     1.600 peak   887 spectrum    3 weight  0.11000E+01 volume  0.39074E-03 ppm1      2.760 ppm2      0.699 CV     1
 ASSI {  889}
   (( segid "pupa" and resid 69   and name HB1 ))
   (  segid "pupa" and resid 26   and name HG2%)
      3.900     1.900     1.900 peak   889 spectrum    3 weight  0.11000E+01 volume  0.47457E-03 ppm1      2.913 ppm2      0.984 CV     1
 ASSI {  890}
   (( segid "pupa" and resid 33   and name HG2 ))
   (( segid "pupa" and resid 33   and name HB1 ))
      2.400     0.700     0.700 peak   890 spectrum    3 weight  0.11000E+01 volume  0.52453E-02 ppm1      2.377 ppm2      2.032 CV     1
 ASSI {  891}
   (( segid "pupa" and resid 33   and name HG1 ))
   (( segid "pupa" and resid 33   and name HB1 ))
      3.000     1.100     1.100 peak   891 spectrum    3 weight  0.11000E+01 volume  0.29249E-02 ppm1      2.319 ppm2      2.044 CV     1
 ASSI {  892}
   (( segid "pupa" and resid 47   and name HB2 ))
   (( segid "pupa" and resid 51   and name HB1 ))
      3.300     1.400     1.400 peak   892 spectrum    3 weight  0.11000E+01 volume  0.16286E-02 ppm1      3.526 ppm2      4.063 CV     1
 OR {  892}
   (( segid "pupa" and resid 47   and name HB2 ))
   (( segid "pupa" and resid 51   and name HB2 ))
 ASSI {  893}
   (( segid "pupa" and resid 47   and name HB1 ))
   (( segid "pupa" and resid 47   and name HD2 ))
      3.900     1.900     1.900 peak   893 spectrum    3 weight  0.11000E+01 volume  0.74225E-03 ppm1      2.843 ppm2      6.551 CV     1
 ASSI {  894}
   (( segid "pupa" and resid 47   and name HB2 ))
   (( segid "pupa" and resid 47   and name HD2 ))
      4.400     2.500     1.600 peak   894 spectrum    3 weight  0.11000E+01 volume  0.14907E-03 ppm1      3.528 ppm2      6.550 CV     1
 ASSI {  895}
   (( segid "pupa" and resid 18   and name HG2 ))
   (( segid "pupa" and resid 18   and name HG1 ))
      1.800     0.400     0.400 peak   895 spectrum    3 weight  0.11000E+01 volume  0.14213E-01 ppm1      2.661 ppm2      2.494 CV     1
 ASSI {  900}
   (( segid "pupa" and resid 23   and name HG1 ))
   (( segid "pupa" and resid 23   and name HB2 ))
      2.800     1.000     1.000 peak   900 spectrum    3 weight  0.11000E+01 volume  0.19306E-02 ppm1      2.366 ppm2      2.091 CV     1
 ASSI {  901}
   (( segid "pupa" and resid 50   and name HG2 ))
   (( segid "pupa" and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   901 spectrum    3 weight  0.11000E+01 volume  0.56408E-02 ppm1      2.566 ppm2      2.228 CV     1
 OR {  901}
   (( segid "pupa" and resid 50   and name HG1 ))
   (( segid "pupa" and resid 50   and name HB1 ))
 OR {  901}
   (( segid "pupa" and resid 50   and name HG2 ))
   (( segid "pupa" and resid 50   and name HB1 ))
 OR {  901}
   (( segid "pupa" and resid 50   and name HG1 ))
   (( segid "pupa" and resid 50   and name HB2 ))
 ASSI {  902}
   (( segid "pupa" and resid 27   and name HG2 ))
   (( segid "pupa" and resid 27   and name HG1 ))
      1.700     0.400     0.500 peak   902 spectrum    3 weight  0.11000E+01 volume  0.22109E-01 ppm1      2.306 ppm2      2.186 CV     1
 ASSI {  905}
   (( segid "pupa" and resid 27   and name HG1 ))
   (  segid "pupa" and resid 29   and name HD2%)
      4.300     2.300     1.700 peak   905 spectrum    3 weight  0.11000E+01 volume  0.25706E-03 ppm1      2.195 ppm2      0.815 CV     1
 ASSI {  906}
   (( segid "pupa" and resid 27   and name HG2 ))
   (  segid "pupa" and resid 70   and name HG2%)
      4.600     2.600     1.400 peak   906 spectrum    3 weight  0.11000E+01 volume  0.19214E-03 ppm1      2.304 ppm2      1.175 CV     1
 ASSI {  907}
   (( segid "pupa" and resid 27   and name HG2 ))
   (  segid "pupa" and resid 29   and name HD2%)
      4.200     2.200     1.800 peak   907 spectrum    3 weight  0.11000E+01 volume  0.31168E-03 ppm1      2.303 ppm2      0.815 CV     1
 ASSI {  908}
   (( segid "pupa" and resid 18   and name HG1 ))
   (( segid "pupa" and resid 18   and name HB1 ))
      2.700     0.900     0.900 peak   908 spectrum    3 weight  0.11000E+01 volume  0.31497E-02 ppm1      2.496 ppm2      2.105 CV     1
 OR {  908}
   (( segid "pupa" and resid 18   and name HG1 ))
   (( segid "pupa" and resid 18   and name HB2 ))
 ASSI {  910}
   (( segid "pupa" and resid 65   and name HG1 ))
   (( segid "pupa" and resid 65   and name HB2 ))
      2.300     0.700     0.700 peak   910 spectrum    3 weight  0.11000E+01 volume  0.83027E-02 ppm1      2.251 ppm2      1.982 CV     1
 OR {  910}
   (( segid "pupa" and resid 65   and name HG2 ))
   (( segid "pupa" and resid 65   and name HB2 ))
 ASSI {  912}
   (( segid "pupa" and resid 58   and name HG1 ))
   (( segid "pupa" and resid 58   and name HB1 ))
      2.900     1.000     1.000 peak   912 spectrum    3 weight  0.11000E+01 volume  0.42284E-02 ppm1      2.473 ppm2      2.255 CV     1
 ASSI {  913}
   (( segid "pupa" and resid 58   and name HG1 ))
   (( segid "pupa" and resid 58   and name HA  ))
      4.000     2.000     2.000 peak   913 spectrum    3 weight  0.11000E+01 volume  0.30071E-03 ppm1      2.475 ppm2      4.246 CV     1
 ASSI {  914}
   (( segid "pupa" and resid 58   and name HG1 ))
   (( segid "pupa" and resid 58   and name HG2 ))
      1.700     0.400     0.500 peak   914 spectrum    3 weight  0.11000E+01 volume  0.21637E-01 ppm1      2.473 ppm2      2.630 CV     1
 ASSI {  915}
   (( segid "pupa" and resid 4    and name HB2 ))
   (( segid "pupa" and resid 4    and name HB1 ))
      1.900     0.500     0.500 peak   915 spectrum    3 weight  0.11000E+01 volume  0.93079E-02 ppm1      3.168 ppm2      2.814 CV     1
 ASSI {  917}
   (( segid "pupa" and resid 4    and name HB2 ))
   (( segid "pupa" and resid 4    and name HD1 ))
      4.100     2.100     1.900 peak   917 spectrum    3 weight  0.11000E+01 volume  0.77130E-03 ppm1      3.165 ppm2      7.276 CV     1
 ASSI {  918}
   (( segid "pupa" and resid 4    and name HB2 ))
   (( segid "pupa" and resid 4    and name HE3 ))
      3.700     1.700     1.700 peak   918 spectrum    3 weight  0.11000E+01 volume  0.36757E-03 ppm1      3.163 ppm2      7.675 CV     1
 ASSI {  919}
   (( segid "pupa" and resid 4    and name HB1 ))
   (( segid "pupa" and resid 4    and name HE3 ))
      4.400     2.400     1.600 peak   919 spectrum    3 weight  0.11000E+01 volume  0.81228E-03 ppm1      2.812 ppm2      7.670 CV     1
 ASSI {  920}
   (( segid "pupa" and resid 9    and name HB2 ))
   (( segid "pupa" and resid 9    and name HB1 ))
      1.800     0.400     0.400 peak   920 spectrum    3 weight  0.11000E+01 volume  0.12073E-01 ppm1      2.342 ppm2      1.825 CV     1
 ASSI {  922}
   (( segid "pupa" and resid 11   and name HB1 ))
   (( segid "pupa" and resid 11   and name HG1 ))
      2.300     0.700     0.700 peak   922 spectrum    3 weight  0.11000E+01 volume  0.73006E-02 ppm1      2.133 ppm2      2.390 CV     1
 OR {  922}
   (( segid "pupa" and resid 11   and name HB1 ))
   (( segid "pupa" and resid 11   and name HG2 ))
 ASSI {  925}
   (( segid "pupa" and resid 13   and name HG2 ))
   (( segid "pupa" and resid 13   and name HB1 ))
      2.700     0.900     0.900 peak   925 spectrum    3 weight  0.11000E+01 volume  0.30413E-02 ppm1      2.179 ppm2      1.624 CV     1
 OR {  925}
   (( segid "pupa" and resid 13   and name HG1 ))
   (( segid "pupa" and resid 13   and name HB1 ))
 ASSI {  926}
   (( segid "pupa" and resid 13   and name HG2 ))
   (( segid "pupa" and resid 35   and name HG12))
      4.300     2.300     1.700 peak   926 spectrum    3 weight  0.11000E+01 volume  0.55483E-03 ppm1      2.181 ppm2      1.278 CV     1
 OR {  926}
   (( segid "pupa" and resid 13   and name HG2 ))
   (( segid "pupa" and resid 35   and name HG11))
 OR {  926}
   (( segid "pupa" and resid 13   and name HG1 ))
   (( segid "pupa" and resid 35   and name HG12))
 OR {  926}
   (( segid "pupa" and resid 13   and name HG1 ))
   (( segid "pupa" and resid 35   and name HG11))
 ASSI {  927}
   (( segid "pupa" and resid 13   and name HG1 ))
   (( segid "pupa" and resid 17   and name HB1 ))
      4.800     2.900     1.200 peak   927 spectrum    3 weight  0.11000E+01 volume  0.40058E-03 ppm1      2.181 ppm2      1.023 CV     1
 OR {  927}
   (( segid "pupa" and resid 13   and name HG2 ))
   (( segid "pupa" and resid 17   and name HB1 ))
 ASSI {  928}
   (( segid "pupa" and resid 11   and name HG1 ))
   (( segid "pupa" and resid 11   and name HB1 ))
      2.500     0.800     0.800 peak   928 spectrum    3 weight  0.11000E+01 volume  0.10079E-01 ppm1      2.388 ppm2      2.157 CV     1
 ASSI {  929}
   (( segid "pupa" and resid 11   and name HG2 ))
   (  segid "pupa" and resid 16   and name HB% )
      3.200     3.200     2.800 peak   929 spectrum    3 weight  0.11000E+01 volume  0.21934E-02 ppm1      2.389 ppm2      1.479 CV     1
 OR {  929}
   (( segid "pupa" and resid 11   and name HG1 ))
   (  segid "pupa" and resid 16   and name HB% )
 ASSI {  930}
   (( segid "pupa" and resid 32   and name HB2 ))
   (( segid "pupa" and resid 32   and name HG2 ))
      2.400     0.700     0.700 peak   930 spectrum    3 weight  0.11000E+01 volume  0.44917E-02 ppm1      2.457 ppm2      2.200 CV     1
 ASSI {  931}
   (( segid "pupa" and resid 32   and name HB2 ))
   (( segid "pupa" and resid 32   and name HB1 ))
      1.800     0.400     0.400 peak   931 spectrum    3 weight  0.11000E+01 volume  0.13330E-01 ppm1      2.457 ppm2      2.033 CV     1
 ASSI {  933}
   (( segid "pupa" and resid 65   and name HB1 ))
   (( segid "pupa" and resid 65   and name HG2 ))
      2.600     0.900     0.900 peak   933 spectrum    3 weight  0.11000E+01 volume  0.39991E-02 ppm1      1.937 ppm2      2.246 CV     1
 OR {  933}
   (( segid "pupa" and resid 65   and name HB1 ))
   (( segid "pupa" and resid 65   and name HG1 ))
 ASSI {  935}
   (( segid "pupa" and resid 22   and name HB1 ))
   (( segid "pupa" and resid 22   and name HD2 ))
      3.200     1.200     1.200 peak   935 spectrum    3 weight  0.11000E+01 volume  0.13143E-02 ppm1      1.987 ppm2      1.726 CV     1
 OR {  935}
   (( segid "pupa" and resid 22   and name HB2 ))
   (( segid "pupa" and resid 22   and name HD2 ))
 ASSI {  936}
   (( segid "pupa" and resid 22   and name HB1 ))
   (( segid "pupa" and resid 22   and name HG2 ))
      2.500     0.800     0.800 peak   936 spectrum    3 weight  0.11000E+01 volume  0.50471E-02 ppm1      1.986 ppm2      1.524 CV     1
 OR {  936}
   (( segid "pupa" and resid 22   and name HB2 ))
   (( segid "pupa" and resid 22   and name HG2 ))
 ASSI {  938}
   (( segid "pupa" and resid 39   and name HB1 ))
   (( segid "pupa" and resid 39   and name HB2 ))
      1.800     0.400     0.400 peak   938 spectrum    3 weight  0.11000E+01 volume  0.13351E-01 ppm1      1.582 ppm2      1.798 CV     1
 ASSI {  941}
   (( segid "pupa" and resid 3    and name HB1 ))
   (( segid "pupa" and resid 46   and name HG2 ))
      2.800     1.000     1.000 peak   941 spectrum    3 weight  0.11000E+01 volume  0.25885E-02 ppm1      1.523 ppm2      1.288 CV     1
 OR {  941}
   (( segid "pupa" and resid 3    and name HB1 ))
   (( segid "pupa" and resid 46   and name HG1 ))
 OR {  941}
   (( segid "pupa" and resid 3    and name HB2 ))
   (( segid "pupa" and resid 46   and name HG2 ))
 ASSI {  943}
   (( segid "pupa" and resid 24   and name HB  ))
   (( segid "pupa" and resid 4    and name HZ2 ))
      3.400     3.400     2.600 peak   943 spectrum    3 weight  0.11000E+01 volume  0.40057E-03 ppm1      2.851 ppm2      7.434 CV     1
 ASSI {  944}
   (( segid "pupa" and resid 24   and name HB  ))
   (( segid "pupa" and resid 4    and name HH2 ))
      4.700     2.800     1.300 peak   944 spectrum    3 weight  0.11000E+01 volume  0.14116E-03 ppm1      2.850 ppm2      7.090 CV     1
 ASSI {  945}
   (( segid "pupa" and resid 13   and name HB2 ))
   (( segid "pupa" and resid 13   and name HB1 ))
      2.000     0.500     0.500 peak   945 spectrum    3 weight  0.11000E+01 volume  0.71576E-02 ppm1      2.020 ppm2      1.645 CV     1
 ASSI {  948}
   (( segid "pupa" and resid 13   and name HB2 ))
   (  segid "pupa" and resid 35   and name HG2%)
      4.000     2.000     2.000 peak   948 spectrum    3 weight  0.11000E+01 volume  0.33574E-03 ppm1      2.020 ppm2      0.698 CV     1
 ASSI {  949}
   (( segid "pupa" and resid 13   and name HB2 ))
   (  segid "pupa" and resid 35   and name HD1%)
      4.200     2.200     1.800 peak   949 spectrum    3 weight  0.11000E+01 volume  0.20532E-03 ppm1      2.020 ppm2      0.562 CV     1
 ASSI {  950}
   (( segid "pupa" and resid 13   and name HB2 ))
   (( segid "pupa" and resid 35   and name HG11))
      5.200     3.400     0.800 peak   950 spectrum    3 weight  0.11000E+01 volume  0.15909E-03 ppm1      2.020 ppm2      1.295 CV     1
 OR {  950}
   (( segid "pupa" and resid 13   and name HB2 ))
   (( segid "pupa" and resid 35   and name HG12))
 ASSI {  951}
   (( segid "pupa" and resid 46   and name HB2 ))
   (( segid "pupa" and resid 46   and name HG1 ))
      2.400     0.700     0.700 peak   951 spectrum    3 weight  0.11000E+01 volume  0.53961E-02 ppm1      1.606 ppm2      1.289 CV     1
 OR {  951}
   (( segid "pupa" and resid 46   and name HB2 ))
   (( segid "pupa" and resid 46   and name HG2 ))
 ASSI {  952}
   (( segid "pupa" and resid 46   and name HB1 ))
   (( segid "pupa" and resid 46   and name HB2 ))
      1.800     0.400     0.400 peak   952 spectrum    3 weight  0.11000E+01 volume  0.11613E-01 ppm1      1.469 ppm2      1.607 CV     1
 ASSI {  954}
   (( segid "pupa" and resid 46   and name HB1 ))
   (( segid "pupa" and resid 46   and name HG2 ))
      2.400     0.700     0.700 peak   954 spectrum    3 weight  0.11000E+01 volume  0.63879E-02 ppm1      1.470 ppm2      1.300 CV     1
 OR {  954}
   (( segid "pupa" and resid 46   and name HB1 ))
   (( segid "pupa" and resid 46   and name HG1 ))
 ASSI {  955}
   (( segid "pupa" and resid 27   and name HB2 ))
   (  segid "pupa" and resid 70   and name HG2%)
      4.000     2.000     2.000 peak   955 spectrum    3 weight  0.11000E+01 volume  0.68589E-03 ppm1      2.064 ppm2      1.179 CV     1
 ASSI {  956}
   (( segid "pupa" and resid 27   and name HB1 ))
   (  segid "pupa" and resid 70   and name HG2%)
      3.700     1.700     1.700 peak   956 spectrum    3 weight  0.11000E+01 volume  0.69133E-03 ppm1      1.992 ppm2      1.173 CV     1
 ASSI {  957}
   (( segid "pupa" and resid 27   and name HB1 ))
   (  segid "pupa" and resid 71   and name HG2%)
      4.000     4.000     2.000 peak   957 spectrum    3 weight  0.11000E+01 volume  0.49228E-03 ppm1      1.989 ppm2      0.821 CV     1
 ASSI {  958}
   (( segid "pupa" and resid 27   and name HB2 ))
   (  segid "pupa" and resid 71   and name HG2%)
      4.400     4.400     1.600 peak   958 spectrum    3 weight  0.11000E+01 volume  0.50883E-03 ppm1      2.066 ppm2      0.813 CV     1
 ASSI {  959}
   (( segid "pupa" and resid 27   and name HB2 ))
   (( segid "pupa" and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak   959 spectrum    3 weight  0.11000E+01 volume  0.36087E-02 ppm1      2.063 ppm2      2.304 CV     1
 ASSI {  960}
   (( segid "pupa" and resid 27   and name HB1 ))
   (( segid "pupa" and resid 27   and name HG2 ))
      2.500     0.800     0.800 peak   960 spectrum    3 weight  0.11000E+01 volume  0.40681E-02 ppm1      1.998 ppm2      2.295 CV     1
 ASSI {  961}
   (( segid "pupa" and resid 27   and name HB1 ))
   (( segid "pupa" and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak   961 spectrum    3 weight  0.11000E+01 volume  0.54155E-02 ppm1      1.998 ppm2      2.194 CV     1
 ASSI {  963}
   (( segid "pupa" and resid 23   and name HB2 ))
   (( segid "pupa" and resid 23   and name HB1 ))
      1.800     0.400     0.400 peak   963 spectrum    3 weight  0.11000E+01 volume  0.11260E-01 ppm1      2.092 ppm2      1.705 CV     1
 ASSI {  965}
   (( segid "pupa" and resid 23   and name HB1 ))
   (( segid "pupa" and resid 23   and name HG1 ))
      3.100     1.200     1.200 peak   965 spectrum    3 weight  0.11000E+01 volume  0.17919E-02 ppm1      1.709 ppm2      2.364 CV     1
 ASSI {  966}
   (( segid "pupa" and resid 2    and name HB1 ))
   (( segid "pupa" and resid 2    and name HB2 ))
      2.000     0.500     0.500 peak   966 spectrum    3 weight  0.11000E+01 volume  0.92323E-02 ppm1      1.504 ppm2      1.777 CV     1
 ASSI {  967}
   (( segid "pupa" and resid 58   and name HB2 ))
   (( segid "pupa" and resid 58   and name HG2 ))
      2.800     1.000     1.000 peak   967 spectrum    3 weight  0.11000E+01 volume  0.45850E-02 ppm1      2.393 ppm2      2.614 CV     1
 ASSI {  968}
   (( segid "pupa" and resid 58   and name HB2 ))
   (( segid "pupa" and resid 58   and name HB1 ))
      1.800     0.400     0.400 peak   968 spectrum    3 weight  0.11000E+01 volume  0.14083E-01 ppm1      2.395 ppm2      2.256 CV     1
 ASSI {  970}
   (( segid "pupa" and resid 28   and name HG ))
   (( segid "pupa" and resid 30   and name HE1 ))
      2.600     2.600     3.400 peak   970 spectrum    3 weight  0.11000E+01 volume  0.20270E-02 ppm1      1.732 ppm2      6.741 CV     1
 ASSI {  971}
   (( segid "pupa" and resid 66   and name HG11))
   (  segid "pupa" and resid 53   and name HD1%)
      4.200     2.200     1.800 peak   971 spectrum    3 weight  0.11000E+01 volume  0.48088E-03 ppm1      1.731 ppm2      0.377 CV     1
 OR {  971}
   (( segid "pupa" and resid 66   and name HG12))
   (  segid "pupa" and resid 53   and name HD1%)
 ASSI {  972}
   (( segid "pupa" and resid 50   and name HB2 ))
   (  segid "pupa" and resid 66   and name HD1%)
      4.000     2.000     2.000 peak   972 spectrum    3 weight  0.11000E+01 volume  0.37885E-03 ppm1      2.251 ppm2      0.985 CV     1
 ASSI {  973}
   (( segid "pupa" and resid 50   and name HB1 ))
   (  segid "pupa" and resid 66   and name HD1%)
      3.800     1.800     1.800 peak   973 spectrum    3 weight  0.11000E+01 volume  0.58002E-03 ppm1      2.190 ppm2      0.988 CV     1
 ASSI {  974}
   (( segid "pupa" and resid 32   and name HG2 ))
   (( segid "pupa" and resid 31   and name HA  ))
      6.000     5.400     0.000 peak   974 spectrum    3 weight  0.11000E+01 volume  0.11063E-03 ppm1      2.197 ppm2      5.108 CV     1
 ASSI {  975}
   (( segid "pupa" and resid 32   and name HG1 ))
   (( segid "pupa" and resid 31   and name HA  ))
      6.000     5.900     0.000 peak   975 spectrum    3 weight  0.11000E+01 volume  0.69027E-04 ppm1      2.017 ppm2      5.115 CV     1
 ASSI {  976}
   (( segid "pupa" and resid 32   and name HG1 ))
   (( segid "pupa" and resid 32   and name HB2 ))
      2.900     1.100     1.100 peak   976 spectrum    3 weight  0.11000E+01 volume  0.40750E-02 ppm1      2.013 ppm2      2.445 CV     1
 ASSI {  977}
   (( segid "pupa" and resid 32   and name HG1 ))
   (( segid "pupa" and resid 32   and name HG2 ))
      1.800     0.400     0.400 peak   977 spectrum    3 weight  0.11000E+01 volume  0.14266E-01 ppm1      2.013 ppm2      2.205 CV     1
 ASSI {  980}
   (( segid "pupa" and resid 54   and name HG1 ))
   (( segid "pupa" and resid 54   and name HG2 ))
      1.800     0.400     0.400 peak   980 spectrum    3 weight  0.11000E+01 volume  0.11788E-01 ppm1      1.668 ppm2      1.869 CV     1
 ASSI {  981}
   (( segid "pupa" and resid 39   and name HG2 ))
   (( segid "pupa" and resid 39   and name HB2 ))
      2.000     0.500     0.500 peak   981 spectrum    3 weight  0.11000E+01 volume  0.14719E-01 ppm1      1.578 ppm2      1.801 CV     1
 OR {  981}
   (( segid "pupa" and resid 39   and name HG1 ))
   (( segid "pupa" and resid 39   and name HB2 ))
 ASSI {  982}
   (( segid "pupa" and resid 9    and name HG2 ))
   (( segid "pupa" and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak   982 spectrum    3 weight  0.11000E+01 volume  0.21490E-02 ppm1      1.937 ppm2      2.336 CV     1
 ASSI {  983}
   (( segid "pupa" and resid 9    and name HG1 ))
   (( segid "pupa" and resid 9    and name HB2 ))
      3.100     1.200     1.200 peak   983 spectrum    3 weight  0.11000E+01 volume  0.27409E-02 ppm1      1.833 ppm2      2.336 CV     1
 ASSI {  984}
   (( segid "pupa" and resid 9    and name HG2 ))
   (( segid "pupa" and resid 9    and name HG1 ))
      1.600     0.300     0.600 peak   984 spectrum    3 weight  0.11000E+01 volume  0.19948E-01 ppm1      1.936 ppm2      1.829 CV     1
 ASSI {  985}
   (( segid "pupa" and resid 56   and name HG  ))
   (( segid "pupa" and resid 56   and name HB1 ))
      3.400     1.500     1.500 peak   985 spectrum    3 weight  0.11000E+01 volume  0.78204E-03 ppm1      1.777 ppm2      1.329 CV     1
 ASSI {  986}
   (( segid "pupa" and resid 62   and name HG  ))
   (( segid "pupa" and resid 62   and name HB1 ))
      2.700     0.900     0.900 peak   986 spectrum    3 weight  0.11000E+01 volume  0.47082E-02 ppm1      1.596 ppm2      1.264 CV     1
 ASSI {  987}
   (( segid "pupa" and resid 63   and name HG1 ))
   (( segid "pupa" and resid 63   and name HB2 ))
      2.100     0.500     0.500 peak   987 spectrum    3 weight  0.11000E+01 volume  0.15989E-01 ppm1      1.501 ppm2      1.692 CV     1
 OR {  987}
   (( segid "pupa" and resid 63   and name HG2 ))
   (( segid "pupa" and resid 63   and name HB1 ))
 OR {  987}
   (( segid "pupa" and resid 63   and name HG1 ))
   (( segid "pupa" and resid 63   and name HB1 ))
 OR {  987}
   (( segid "pupa" and resid 63   and name HG2 ))
   (( segid "pupa" and resid 63   and name HB2 ))
 ASSI {  988}
   (( segid "pupa" and resid 35   and name HG12))
   (  segid "pupa" and resid 35   and name HD1%)
      2.200     0.600     0.600 peak   988 spectrum    3 weight  0.11000E+01 volume  0.71563E-02 ppm1      1.272 ppm2      0.576 CV     1
 OR {  988}
   (( segid "pupa" and resid 35   and name HG11))
   (  segid "pupa" and resid 35   and name HD1%)
 ASSI {  989}
   (( segid "pupa" and resid 35   and name HG12))
   (  segid "pupa" and resid 35   and name HG2%)
      2.400     0.700     0.700 peak   989 spectrum    3 weight  0.11000E+01 volume  0.55822E-02 ppm1      1.280 ppm2      0.712 CV     1
 OR {  989}
   (( segid "pupa" and resid 35   and name HG11))
   (  segid "pupa" and resid 35   and name HG2%)
 ASSI {  990}
   (( segid "pupa" and resid 53   and name HG  ))
   (  segid "pupa" and resid 53   and name HD1%)
      2.400     0.700     0.700 peak   990 spectrum    3 weight  0.11000E+01 volume  0.49054E-02 ppm1      1.256 ppm2      0.371 CV     1
 ASSI {  992}
   (( segid "pupa" and resid 35   and name HG11))
   (( segid "pupa" and resid 35   and name HB  ))
      2.500     0.800     0.800 peak   992 spectrum    3 weight  0.11000E+01 volume  0.34479E-02 ppm1      1.281 ppm2      1.969 CV     1
 OR {  992}
   (( segid "pupa" and resid 35   and name HG12))
   (( segid "pupa" and resid 35   and name HB  ))
 ASSI {  993}
   (( segid "pupa" and resid 43   and name HG  ))
   (  segid "pupa" and resid 43   and name HD2%)
      2.300     0.600     0.600 peak   993 spectrum    3 weight  0.11000E+01 volume  0.88294E-02 ppm1      1.246 ppm2      0.805 CV     1
 ASSI {  994}
   (( segid "pupa" and resid 43   and name HG  ))
   (( segid "pupa" and resid 43   and name HB2 ))
      2.700     2.700     3.300 peak   994 spectrum    3 weight  0.11000E+01 volume  0.30686E-02 ppm1      1.248 ppm2      1.703 CV     1
 OR {  994}
   (( segid "pupa" and resid 43   and name HG  ))
   (( segid "pupa" and resid 43   and name HB1 ))
 ASSI {  995}
   (( segid "pupa" and resid 35   and name HG12))
   (  segid "pupa" and resid 30   and name HD% )
      3.200     1.300     1.300 peak   995 spectrum    3 weight  0.11000E+01 volume  0.97546E-03 ppm1      1.281 ppm2      6.547 CV     1
 ASSI {  997}
   (( segid "pupa" and resid 17   and name HG  ))
   (( segid "pupa" and resid 13   and name HG1 ))
      3.200     1.300     1.300 peak   997 spectrum    3 weight  0.11000E+01 volume  0.12239E-02 ppm1      1.590 ppm2      2.179 CV     1
 OR {  997}
   (( segid "pupa" and resid 17   and name HG  ))
   (( segid "pupa" and resid 13   and name HG2 ))
 ASSI {  998}
   (( segid "pupa" and resid 17   and name HG  ))
   (  segid "pupa" and resid 13   and name HE% )
      2.900     2.900     3.100 peak   998 spectrum    3 weight  0.11000E+01 volume  0.35757E-02 ppm1      1.589 ppm2      1.921 CV     1
 ASSI {  999}
   (( segid "pupa" and resid 44   and name HG1 ))
   (( segid "pupa" and resid 44   and name HB2 ))
      2.700     0.900     0.900 peak   999 spectrum    3 weight  0.11000E+01 volume  0.24964E-02 ppm1      1.395 ppm2      1.848 CV     1
 OR {  999}
   (( segid "pupa" and resid 44   and name HG2 ))
   (( segid "pupa" and resid 44   and name HB2 ))
 ASSI { 1000}
   (( segid "pupa" and resid 44   and name HG1 ))
   (( segid "pupa" and resid 44   and name HD1 ))
      2.100     0.500     0.500 peak  1000 spectrum    3 weight  0.11000E+01 volume  0.15375E-01 ppm1      1.395 ppm2      1.661 CV     1
 OR { 1000}
   (( segid "pupa" and resid 44   and name HG2 ))
   (( segid "pupa" and resid 44   and name HD2 ))
 OR { 1000}
   (( segid "pupa" and resid 44   and name HG1 ))
   (( segid "pupa" and resid 44   and name HD2 ))
 OR { 1000}
   (( segid "pupa" and resid 44   and name HG2 ))
   (( segid "pupa" and resid 44   and name HD1 ))
 ASSI { 1002}
   (( segid "pupa" and resid 22   and name HG2 ))
   (( segid "pupa" and resid 22   and name HD2 ))
      2.100     0.500     0.500 peak  1002 spectrum    3 weight  0.11000E+01 volume  0.17019E-01 ppm1      1.513 ppm2      1.732 CV     1
 OR { 1002}
   (( segid "pupa" and resid 22   and name HG1 ))
   (( segid "pupa" and resid 22   and name HD2 ))
 ASSI { 1003}
   (  segid "pupa" and resid 70   and name HG2%)
   (( segid "pupa" and resid 27   and name HB1 ))
      3.400     1.400     1.400 peak  1003 spectrum    3 weight  0.11000E+01 volume  0.14571E-02 ppm1      1.176 ppm2      2.035 CV     1
 OR { 1003}
   (  segid "pupa" and resid 70   and name HG2%)
   (( segid "pupa" and resid 27   and name HB2 ))
 ASSI { 1004}
   (  segid "pupa" and resid 70   and name HG2%)
   (( segid "pupa" and resid 27   and name HG1 ))
      4.300     2.300     1.700 peak  1004 spectrum    3 weight  0.11000E+01 volume  0.38378E-03 ppm1      1.176 ppm2      2.187 CV     1
 ASSI { 1006}
   (  segid "pupa" and resid 72   and name HG2%)
   (  segid "pupa" and resid 29   and name HD1%)
      2.300     2.300     3.700 peak  1006 spectrum    3 weight  0.11000E+01 volume  0.37929E-02 ppm1      1.176 ppm2      0.818 CV     1
 ASSI { 1007}
   (  segid "pupa" and resid 60   and name HG2%)
   (  segid "pupa" and resid 13   and name HE% )
      2.700     2.700     3.300 peak  1007 spectrum    3 weight  0.11000E+01 volume  0.38542E-02 ppm1      1.222 ppm2      1.899 CV     1
 ASSI { 1008}
   (  segid "pupa" and resid 60   and name HG2%)
   (( segid "pupa" and resid 62   and name HG  ))
      2.800     2.800     3.200 peak  1008 spectrum    3 weight  0.11000E+01 volume  0.12890E-02 ppm1      1.222 ppm2      1.571 CV     1
 ASSI { 1009}
   (  segid "pupa" and resid 60   and name HG2%)
   (  segid "pupa" and resid 56   and name HD2%)
      2.700     2.700     3.300 peak  1009 spectrum    3 weight  0.11000E+01 volume  0.14758E-02 ppm1      1.223 ppm2      0.755 CV     1
 ASSI { 1010}
   (  segid "pupa" and resid 60   and name HG2%)
   (  segid "pupa" and resid 38   and name HD2%)
      2.500     2.500     3.500 peak  1010 spectrum    3 weight  0.11000E+01 volume  0.27287E-02 ppm1      1.223 ppm2      0.982 CV     1
 ASSI { 1011}
   (  segid "pupa" and resid 71   and name HG1%)
   (( segid "pupa" and resid 64   and name HD2 ))
      4.000     1.000     1.000 peak  1011 spectrum    3 weight  0.11000E+01 volume  0.92742E-03 ppm1      0.816 ppm2      6.732 CV     1
 ASSI { 1012}
   (  segid "pupa" and resid 71   and name HG2%)
   (( segid "pupa" and resid 66   and name HG11))
      3.300     1.400     1.400 peak  1012 spectrum    3 weight  0.11000E+01 volume  0.10805E-02 ppm1      0.856 ppm2      1.736 CV     1
 OR { 1012}
   (  segid "pupa" and resid 71   and name HG2%)
   (( segid "pupa" and resid 66   and name HG12))
 ASSI { 1013}
   (  segid "pupa" and resid 71   and name HG1%)
   (( segid "pupa" and resid 66   and name HG11))
      3.400     1.400     1.400 peak  1013 spectrum    3 weight  0.11000E+01 volume  0.14806E-02 ppm1      0.815 ppm2      1.732 CV     1
 OR { 1013}
   (  segid "pupa" and resid 71   and name HG1%)
   (( segid "pupa" and resid 66   and name HG12))
 ASSI { 1014}
   (  segid "pupa" and resid 71   and name HG2%)
   (  segid "pupa" and resid 53   and name HD1%)
      2.700     2.700     3.300 peak  1014 spectrum    3 weight  0.11000E+01 volume  0.35524E-02 ppm1      0.855 ppm2      0.376 CV     1
 ASSI { 1015}
   (  segid "pupa" and resid 71   and name HG1%)
   (  segid "pupa" and resid 53   and name HD1%)
      2.400     2.400     3.600 peak  1015 spectrum    3 weight  0.11000E+01 volume  0.67071E-02 ppm1      0.816 ppm2      0.376 CV     1
 ASSI { 1016}
   (  segid "pupa" and resid 73   and name HG2%)
   (  segid "pupa" and resid 17   and name HD1%)
      2.900     2.900     3.100 peak  1016 spectrum    3 weight  0.11000E+01 volume  0.99720E-03 ppm1      0.826 ppm2      0.067 CV     1
 ASSI { 1017}
   (  segid "pupa" and resid 73   and name HG1%)
   (( segid "pupa" and resid 62   and name HB1 ))
      2.800     1.000     1.000 peak  1017 spectrum    3 weight  0.11000E+01 volume  0.26103E-02 ppm1      0.891 ppm2      1.251 CV     1
 ASSI { 1018}
   (  segid "pupa" and resid 73   and name HG1%)
   (  segid "pupa" and resid 17   and name HD2%)
      2.800     2.800     3.200 peak  1018 spectrum    3 weight  0.11000E+01 volume  0.12292E-02 ppm1      0.889 ppm2      0.560 CV     1
 ASSI { 1019}
   (  segid "pupa" and resid 75   and name HB% )
   (  segid "pupa" and resid 62   and name HD2%)
      2.800     1.000     1.000 peak  1019 spectrum    3 weight  0.11000E+01 volume  0.34357E-02 ppm1      1.390 ppm2      0.726 CV     1
 ASSI { 1021}
   (  segid "pupa" and resid 16   and name HB% )
   (( segid "pupa" and resid 8    and name HB  ))
      4.300     2.300     1.700 peak  1021 spectrum    3 weight  0.11000E+01 volume  0.80734E-03 ppm1      1.477 ppm2      1.903 CV     1
 ASSI { 1022}
   (  segid "pupa" and resid 16   and name HB% )
   (( segid "pupa" and resid 13   and name HG1 ))
      3.800     1.800     1.800 peak  1022 spectrum    3 weight  0.11000E+01 volume  0.76911E-03 ppm1      1.476 ppm2      2.162 CV     1
 ASSI { 1023}
   (  segid "pupa" and resid 21   and name HB% )
   (  segid "pupa" and resid 20   and name HD1%)
      4.700     4.700     1.300 peak  1023 spectrum    3 weight  0.11000E+01 volume  0.30805E-03 ppm1      1.559 ppm2      0.541 CV     1
 ASSI { 1024}
   (  segid "pupa" and resid 35   and name HG2%)
   (( segid "pupa" and resid 30   and name HD2 ))
      3.800     1.800     1.800 peak  1024 spectrum    3 weight  0.11000E+01 volume  0.34561E-03 ppm1      0.701 ppm2      6.549 CV     1
 ASSI { 1025}
   (  segid "pupa" and resid 35   and name HG2%)
   (( segid "pupa" and resid 30   and name HE2 ))
      4.800     2.900     1.200 peak  1025 spectrum    3 weight  0.11000E+01 volume  0.14894E-03 ppm1      0.702 ppm2      6.670 CV     1
 ASSI { 1027}
   (  segid "pupa" and resid 8    and name HG2%)
   (( segid "pupa" and resid 9    and name HB2 ))
      4.100     2.100     1.900 peak  1027 spectrum    3 weight  0.11000E+01 volume  0.47342E-03 ppm1      0.851 ppm2      2.384 CV     1
 ASSI { 1028}
   (  segid "pupa" and resid 13   and name HE% )
   (( segid "pupa" and resid 13   and name HG2 ))
      2.700     0.900     0.900 peak  1028 spectrum    3 weight  0.11000E+01 volume  0.36817E-02 ppm1      1.902 ppm2      2.171 CV     1
 OR { 1028}
   (  segid "pupa" and resid 13   and name HE% )
   (( segid "pupa" and resid 13   and name HG1 ))
 ASSI { 1029}
   (  segid "pupa" and resid 13   and name HE% )
   (( segid "pupa" and resid 13   and name HB1 ))
      3.000     3.000     3.000 peak  1029 spectrum    3 weight  0.11000E+01 volume  0.43784E-02 ppm1      1.903 ppm2      1.630 CV     1
 ASSI { 1031}
   (  segid "pupa" and resid 55   and name HG2%)
   (( segid "pupa" and resid 43   and name HG  ))
      3.200     3.200     2.800 peak  1031 spectrum    3 weight  0.11000E+01 volume  0.18611E-02 ppm1      0.754 ppm2      1.187 CV     1
 ASSI { 1032}
   (  segid "pupa" and resid 55   and name HG2%)
   (  segid "pupa" and resid 55   and name HD1%)
      2.500     2.500     3.500 peak  1032 spectrum    3 weight  0.11000E+01 volume  0.49844E-02 ppm1      0.754 ppm2      0.471 CV     1
 ASSI { 1033}
   (  segid "pupa" and resid 24   and name HG2%)
   (( segid "pupa" and resid 4    and name HE3 ))
      4.000     2.000     2.000 peak  1033 spectrum    3 weight  0.11000E+01 volume  0.32978E-03 ppm1     -0.079 ppm2      7.671 CV     1
 ASSI { 1034}
   (  segid "pupa" and resid 24   and name HG2%)
   (( segid "pupa" and resid 4    and name HD1 ))
      3.500     3.500     2.500 peak  1034 spectrum    3 weight  0.11000E+01 volume  0.32517E-03 ppm1     -0.083 ppm2      7.300 CV     1
 ASSI { 1035}
   (  segid "pupa" and resid 17   and name HD2%)
   (( segid "pupa" and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak  1035 spectrum    3 weight  0.11000E+01 volume  0.24861E-02 ppm1      0.498 ppm2      1.007 CV     1
 ASSI { 1037}
   (  segid "pupa" and resid 26   and name HG2%)
   (( segid "pupa" and resid 70   and name HA  ))
      4.600     4.600     1.400 peak  1037 spectrum    3 weight  0.11000E+01 volume  0.25500E-03 ppm1      0.986 ppm2      5.144 CV     1
 ASSI { 1040}
   (  segid "pupa" and resid 49   and name HD1%)
   (( segid "pupa" and resid 4    and name HZ3 ))
      4.600     2.700     1.400 peak  1040 spectrum    3 weight  0.11000E+01 volume  0.35304E-03 ppm1      0.744 ppm2      6.933 CV     1
 ASSI { 1041}
   (  segid "pupa" and resid 49   and name HD1%)
   (( segid "pupa" and resid 4    and name HH2 ))
      3.600     3.600     2.400 peak  1041 spectrum    3 weight  0.11000E+01 volume  0.29225E-03 ppm1      0.745 ppm2      7.084 CV     1
 ASSI { 1042}
   (  segid "pupa" and resid 49   and name HD1%)
   (  segid "pupa" and resid 66   and name HD1%)
      2.600     2.600     3.400 peak  1042 spectrum    3 weight  0.11000E+01 volume  0.69358E-02 ppm1      0.743 ppm2      0.992 CV     1
 ASSI { 1043}
   (  segid "pupa" and resid 49   and name HD1%)
   (  segid "pupa" and resid 53   and name HD1%)
      2.900     1.100     1.100 peak  1043 spectrum    3 weight  0.11000E+01 volume  0.24874E-02 ppm1      0.743 ppm2      0.377 CV     1
 ASSI { 1044}
   (  segid "pupa" and resid 38   and name HD2%)
   (( segid "pupa" and resid 38   and name HB1 ))
      2.500     2.500     3.500 peak  1044 spectrum    3 weight  0.11000E+01 volume  0.38640E-02 ppm1      0.967 ppm2      1.274 CV     1
 ASSI { 1045}
   (  segid "pupa" and resid 73   and name HG1%)
   (( segid "pupa" and resid 64   and name HA  ))
      4.700     2.800     1.300 peak  1045 spectrum    3 weight  0.11000E+01 volume  0.18539E-03 ppm1      0.893 ppm2      5.917 CV     1
 ASSI { 1046}
   (  segid "pupa" and resid 73   and name HG1%)
   (( segid "pupa" and resid 64   and name HB1 ))
      4.100     2.100     1.900 peak  1046 spectrum    3 weight  0.11000E+01 volume  0.42399E-03 ppm1      0.893 ppm2      2.614 CV     1
 ASSI { 1047}
   (  segid "pupa" and resid 53   and name HD2%)
   (( segid "pupa" and resid 53   and name HG  ))
      2.500     0.800     0.800 peak  1047 spectrum    3 weight  0.11000E+01 volume  0.38315E-02 ppm1      0.371 ppm2      1.256 CV     1
 ASSI { 1048}
   (  segid "pupa" and resid 53   and name HD2%)
   (( segid "pupa" and resid 53   and name HB2 ))
      3.400     1.500     1.500 peak  1048 spectrum    3 weight  0.11000E+01 volume  0.23223E-02 ppm1      0.370 ppm2      1.004 CV     1
 ASSI { 1049}
   (  segid "pupa" and resid 53   and name HD2%)
   (  segid "pupa" and resid 71   and name HG1%)
      2.500     2.500     3.500 peak  1049 spectrum    3 weight  0.11000E+01 volume  0.56085E-02 ppm1      0.370 ppm2      0.817 CV     1
 ASSI { 1050}
   (  segid "pupa" and resid 53   and name HD2%)
   (  segid "pupa" and resid 56   and name HD1%)
      2.500     2.500     3.500 peak  1050 spectrum    3 weight  0.11000E+01 volume  0.62811E-02 ppm1      0.370 ppm2      0.716 CV     1
 ASSI { 1051}
   (  segid "pupa" and resid 53   and name HD2%)
   (  segid "pupa" and resid 20   and name HD2%)
      2.200     2.200     3.800 peak  1051 spectrum    3 weight  0.11000E+01 volume  0.10361E-01 ppm1      0.371 ppm2      0.526 CV     1
 ASSI { 1052}
   (  segid "pupa" and resid 53   and name HD2%)
   (( segid "pupa" and resid 64   and name HD2 ))
      4.200     4.200     1.800 peak  1052 spectrum    3 weight  0.11000E+01 volume  0.33146E-03 ppm1      0.372 ppm2      6.740 CV     1
 ASSI { 1054}
   (  segid "pupa" and resid 35   and name HD1%)
   (  segid "pupa" and resid 30   and name HD% )
      3.300     3.300     2.700 peak  1054 spectrum    3 weight  0.11000E+01 volume  0.10405E-02 ppm1      0.569 ppm2      6.547 CV     1
 ASSI { 1055}
   (  segid "pupa" and resid 35   and name HD1%)
   (  segid "pupa" and resid 30   and name HE% )
      3.200     3.200     2.800 peak  1055 spectrum    3 weight  0.11000E+01 volume  0.11566E-02 ppm1      0.566 ppm2      6.661 CV     1
 ASSI { 1056}
   (  segid "pupa" and resid 66   and name HD1%)
   (( segid "pupa" and resid 64   and name HD2 ))
      2.500     2.500     3.500 peak  1056 spectrum    3 weight  0.11000E+01 volume  0.28269E-02 ppm1      0.990 ppm2      6.740 CV     1
 ASSI { 1057}
   (  segid "pupa" and resid 66   and name HD1%)
   (  segid "pupa" and resid 53   and name HD1%)
      2.800     1.000     1.000 peak  1057 spectrum    3 weight  0.11000E+01 volume  0.24638E-02 ppm1      0.990 ppm2      0.392 CV     1
 ASSI { 1058}
   (  segid "pupa" and resid 8    and name HD1%)
   (( segid "pupa" and resid 20   and name HB1 ))
      3.400     1.400     1.400 peak  1058 spectrum    3 weight  0.11000E+01 volume  0.28747E-02 ppm1      0.727 ppm2      1.201 CV     1
 ASSI { 1059}
   (  segid "pupa" and resid 8    and name HD1%)
   (( segid "pupa" and resid 8    and name HG11))
      2.200     0.600     0.600 peak  1059 spectrum    3 weight  0.11000E+01 volume  0.90543E-02 ppm1      0.727 ppm2      0.960 CV     1
 ASSI { 1060}
   (  segid "pupa" and resid 8    and name HD1%)
   (  segid "pupa" and resid 20   and name HD2%)
      2.300     2.300     3.700 peak  1060 spectrum    3 weight  0.11000E+01 volume  0.11020E-01 ppm1      0.727 ppm2      0.574 CV     1
 ASSI { 1061}
   (  segid "pupa" and resid 55   and name HD1%)
   (( segid "pupa" and resid 55   and name HG11))
      2.400     0.800     0.800 peak  1061 spectrum    3 weight  0.11000E+01 volume  0.51885E-02 ppm1      0.467 ppm2      0.941 CV     1
 ASSI { 1063}
   (( segid "pupa" and resid 48   and name HA  ))
   (( segid "pupa" and resid 4    and name HZ3 ))
      3.900     1.900     1.900 peak  1063 spectrum    3 weight  0.11000E+01 volume  0.52082E-03 ppm1      5.447 ppm2      6.926 CV     1
 ASSI { 1064}
   (( segid "pupa" and resid 48   and name HA  ))
   (( segid "pupa" and resid 4    and name HE3 ))
      3.700     1.700     1.700 peak  1064 spectrum    3 weight  0.11000E+01 volume  0.49149E-03 ppm1      5.441 ppm2      7.681 CV     1
 ASSI { 1065}
   (( segid "pupa" and resid 6    and name HB2 ))
   (( segid "pupa" and resid 6    and name HB1 ))
      1.900     0.400     0.400 peak  1065 spectrum    3 weight  0.11000E+01 volume  0.96146E-02 ppm1      1.664 ppm2      1.269 CV     1
 ASSI { 1069}
   (( segid "pupa" and resid 43   and name HB1 ))
   (  segid "pupa" and resid 43   and name HD1%)
      3.300     3.300     2.700 peak  1069 spectrum    3 weight  0.11000E+01 volume  0.11632E-02 ppm1      1.171 ppm2      0.596 CV     1
 ASSI { 1070}
   (( segid "pupa" and resid 43   and name HB1 ))
   (  segid "pupa" and resid 43   and name HD2%)
      2.700     0.900     0.900 peak  1070 spectrum    3 weight  0.11000E+01 volume  0.35209E-02 ppm1      1.173 ppm2      0.785 CV     1
 ASSI { 1072}
   (( segid "pupa" and resid 43   and name HB2 ))
   (( segid "pupa" and resid 43   and name HB1 ))
      1.900     0.400     0.400 peak  1072 spectrum    3 weight  0.11000E+01 volume  0.10516E-01 ppm1      1.707 ppm2      1.181 CV     1
 ASSI { 1073}
   (( segid "pupa" and resid 43   and name HB2 ))
   (( segid "pupa" and resid 8    and name HB  ))
      3.500     1.500     1.500 peak  1073 spectrum    3 weight  0.11000E+01 volume  0.18124E-02 ppm1      1.709 ppm2      1.905 CV     1
 ASSI { 1074}
   (( segid "pupa" and resid 43   and name HB1 ))
   (( segid "pupa" and resid 8    and name HB  ))
      3.500     1.500     1.500 peak  1074 spectrum    3 weight  0.11000E+01 volume  0.45995E-03 ppm1      1.173 ppm2      1.902 CV     1
 ASSI { 1075}
   (( segid "pupa" and resid 56   and name HB1 ))
   (  segid "pupa" and resid 56   and name HD2%)
      2.500     2.500     3.500 peak  1075 spectrum    3 weight  0.11000E+01 volume  0.39963E-02 ppm1      1.316 ppm2      0.748 CV     1
 ASSI { 1076}
   (( segid "pupa" and resid 56   and name HB1 ))
   (( segid "pupa" and resid 56   and name HB2 ))
      1.700     0.400     0.500 peak  1076 spectrum    3 weight  0.11000E+01 volume  0.17485E-01 ppm1      1.312 ppm2      1.781 CV     1
 ASSI { 1077}
   (( segid "pupa" and resid 28   and name HB1 ))
   (( segid "pupa" and resid 28   and name HB2 ))
      1.800     0.400     0.400 peak  1077 spectrum    3 weight  0.11000E+01 volume  0.12403E-01 ppm1      1.560 ppm2      1.753 CV     1
 ASSI { 1079}
   (( segid "pupa" and resid 38   and name HB2 ))
   (( segid "pupa" and resid 38   and name HA  ))
      3.300     1.300     1.300 peak  1079 spectrum    3 weight  0.11000E+01 volume  0.11826E-02 ppm1      1.792 ppm2      4.644 CV     1
 ASSI { 1080}
   (( segid "pupa" and resid 28   and name HB1 ))
   (( segid "pupa" and resid 30   and name HD1 ))
      3.100     1.200     1.200 peak  1080 spectrum    3 weight  0.11000E+01 volume  0.92154E-03 ppm1      1.556 ppm2      6.555 CV     1
 ASSI { 1081}
   (( segid "pupa" and resid 28   and name HB1 ))
   (( segid "pupa" and resid 30   and name HE1 ))
      3.200     1.300     1.300 peak  1081 spectrum    3 weight  0.11000E+01 volume  0.88156E-03 ppm1      1.556 ppm2      6.661 CV     1
 ASSI { 1082}
   (( segid "pupa" and resid 28   and name HB2 ))
   (( segid "pupa" and resid 30   and name HE1 ))
      4.000     2.000     2.000 peak  1082 spectrum    3 weight  0.11000E+01 volume  0.49403E-03 ppm1      1.759 ppm2      6.665 CV     1
 ASSI { 1083}
   (( segid "pupa" and resid 28   and name HB2 ))
   (( segid "pupa" and resid 30   and name HD1 ))
      4.500     2.600     1.500 peak  1083 spectrum    3 weight  0.11000E+01 volume  0.34690E-03 ppm1      1.755 ppm2      6.552 CV     1
 ASSI { 1084}
   (( segid "pupa" and resid 29   and name HG  ))
   (( segid "pupa" and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak  1084 spectrum    3 weight  0.11000E+01 volume  0.61595E-02 ppm1      1.480 ppm2      1.913 CV     1
 ASSI { 1085}
   (( segid "pupa" and resid 8    and name HG12))
   (( segid "pupa" and resid 20   and name HB1 ))
      3.700     3.700     2.300 peak  1085 spectrum    3 weight  0.11000E+01 volume  0.17858E-02 ppm1      1.484 ppm2      1.171 CV     1
 ASSI { 1086}
   (( segid "pupa" and resid 62   and name HB2 ))
   (( segid "pupa" and resid 62   and name HB1 ))
      1.800     0.400     0.400 peak  1086 spectrum    3 weight  0.11000E+01 volume  0.11291E-01 ppm1      1.803 ppm2      1.256 CV     1
 ASSI { 1087}
   (( segid "pupa" and resid 62   and name HB1 ))
   (  segid "pupa" and resid 62   and name HD2%)
      2.400     0.700     0.700 peak  1087 spectrum    3 weight  0.11000E+01 volume  0.58474E-02 ppm1      1.254 ppm2      0.739 CV     1
 ASSI { 1091}
   (( segid "pupa" and resid 49   and name HB2 ))
   (( segid "pupa" and resid 4    and name HZ3 ))
      3.000     1.100     1.100 peak  1091 spectrum    3 weight  0.11000E+01 volume  0.19183E-02 ppm1      1.922 ppm2      6.936 CV     1
 OR { 1091}
   (( segid "pupa" and resid 49   and name HB1 ))
   (( segid "pupa" and resid 4    and name HZ3 ))
 ASSI { 1093}
   (( segid "pupa" and resid 29   and name HB2 ))
   (( segid "pupa" and resid 29   and name HB1 ))
      1.800     0.400     0.400 peak  1093 spectrum    3 weight  0.11000E+01 volume  0.13964E-01 ppm1      1.915 ppm2      1.481 CV     1
 ASSI { 1096}
   (( segid "pupa" and resid 49   and name HB1 ))
   (  segid "pupa" and resid 53   and name HD1%)
      4.100     2.100     1.900 peak  1096 spectrum    3 weight  0.11000E+01 volume  0.47390E-03 ppm1      1.930 ppm2      0.378 CV     1
 OR { 1096}
   (( segid "pupa" and resid 49   and name HB2 ))
   (  segid "pupa" and resid 53   and name HD1%)
 ASSI { 1097}
   (( segid "pupa" and resid 49   and name HB1 ))
   (( segid "pupa" and resid 49   and name HG  ))
      2.600     0.900     0.900 peak  1097 spectrum    3 weight  0.11000E+01 volume  0.32117E-02 ppm1      1.926 ppm2      1.607 CV     1
 OR { 1097}
   (( segid "pupa" and resid 49   and name HB2 ))
   (( segid "pupa" and resid 49   and name HG  ))
 ASSI { 1098}
   (( segid "pupa" and resid 49   and name HB2 ))
   (( segid "pupa" and resid 4    and name HH2 ))
      3.600     1.600     1.600 peak  1098 spectrum    3 weight  0.11000E+01 volume  0.11184E-02 ppm1      1.922 ppm2      7.083 CV     1
 OR { 1098}
   (( segid "pupa" and resid 49   and name HB1 ))
   (( segid "pupa" and resid 4    and name HH2 ))
 ASSI { 1099}
   (( segid "pupa" and resid 20   and name HB1 ))
   (( segid "pupa" and resid 20   and name HB2 ))
      2.000     0.500     0.500 peak  1099 spectrum    3 weight  0.11000E+01 volume  0.63754E-02 ppm1      1.199 ppm2      1.845 CV     1
 ASSI { 1100}
   (( segid "pupa" and resid 20   and name HB1 ))
   (  segid "pupa" and resid 20   and name HD1%)
      2.800     1.000     1.000 peak  1100 spectrum    3 weight  0.11000E+01 volume  0.40022E-02 ppm1      1.197 ppm2      0.556 CV     1
 ASSI { 1103}
   (( segid "pupa" and resid 57   and name HB1 ))
   (( segid "pupa" and resid 57   and name HB2 ))
      1.900     0.400     0.400 peak  1103 spectrum    3 weight  0.11000E+01 volume  0.10865E-01 ppm1      1.565 ppm2      1.878 CV     1
 ASSI { 1105}
   (( segid "pupa" and resid 17   and name HB1 ))
   (( segid "pupa" and resid 14   and name HA  ))
      5.000     3.100     1.000 peak  1105 spectrum    3 weight  0.11000E+01 volume  0.26374E-03 ppm1      1.021 ppm2      4.015 CV     1
 ASSI { 1107}
   (( segid "pupa" and resid 53   and name HB2 ))
   (  segid "pupa" and resid 53   and name HD1%)
      2.600     2.600     3.400 peak  1107 spectrum    3 weight  0.11000E+01 volume  0.36361E-02 ppm1      1.018 ppm2      0.374 CV     1
 ASSI { 1109}
   (( segid "pupa" and resid 53   and name HB1 ))
   (  segid "pupa" and resid 53   and name HD1%)
      2.700     2.700     3.300 peak  1109 spectrum    3 weight  0.11000E+01 volume  0.38226E-02 ppm1      0.213 ppm2      0.371 CV     1
 ASSI { 1110}
   (( segid "pupa" and resid 53   and name HB1 ))
   (( segid "pupa" and resid 64   and name HE2 ))
      3.600     3.600     2.400 peak  1110 spectrum    3 weight  0.11000E+01 volume  0.59232E-03 ppm1      0.213 ppm2      6.741 CV     1
 ASSI { 1112}
   (( segid "pupa" and resid 8    and name HB  ))
   (( segid "pupa" and resid 8    and name HG12))
      2.500     0.800     0.800 peak  1112 spectrum    3 weight  0.11000E+01 volume  0.47327E-02 ppm1      1.904 ppm2      1.529 CV     1
 ASSI { 1113}
   (( segid "pupa" and resid 8    and name HB  ))
   (( segid "pupa" and resid 44   and name HB1 ))
      3.100     1.200     1.200 peak  1113 spectrum    3 weight  0.11000E+01 volume  0.24065E-02 ppm1      1.904 ppm2      1.716 CV     1
 ASSI { 1114}
   (( segid "pupa" and resid 8    and name HB  ))
   (( segid "pupa" and resid 8    and name HG11))
      3.000     1.200     1.200 peak  1114 spectrum    3 weight  0.11000E+01 volume  0.12584E-02 ppm1      1.910 ppm2      0.974 CV     1
 ASSI { 1115}
   (( segid "pupa" and resid 30   and name HB2 ))
   (  segid "pupa" and resid 30   and name HE% )
      5.000     5.000     1.000 peak  1115 spectrum    3 weight  0.11000E+01 volume  0.29894E-03 ppm1      3.317 ppm2      6.648 CV     1
 ASSI { 1116}
   (( segid "pupa" and resid 30   and name HB1 ))
   (  segid "pupa" and resid 30   and name HE% )
      5.300     3.500     0.700 peak  1116 spectrum    3 weight  0.11000E+01 volume  0.20425E-03 ppm1      2.760 ppm2      6.669 CV     1
 ASSI { 1117}
   (( segid "pupa" and resid 30   and name HB2 ))
   (  segid "pupa" and resid 35   and name HG2%)
      4.200     4.200     1.800 peak  1117 spectrum    3 weight  0.11000E+01 volume  0.23629E-03 ppm1      3.315 ppm2      0.694 CV     1
 ASSI { 1118}
   (( segid "pupa" and resid 35   and name HB  ))
   (( segid "pupa" and resid 13   and name HG2 ))
      3.200     1.300     1.300 peak  1118 spectrum    3 weight  0.11000E+01 volume  0.16327E-02 ppm1      1.968 ppm2      2.172 CV     1
 OR { 1118}
   (( segid "pupa" and resid 35   and name HB  ))
   (( segid "pupa" and resid 13   and name HG1 ))
 ASSI { 1119}
   (( segid "pupa" and resid 35   and name HB  ))
   (( segid "pupa" and resid 13   and name HB1 ))
      3.700     1.700     1.700 peak  1119 spectrum    3 weight  0.11000E+01 volume  0.85064E-03 ppm1      1.964 ppm2      1.636 CV     1
 ASSI { 1122}
   (( segid "pupa" and resid 3    and name HG2 ))
   (( segid "pupa" and resid 48   and name HA  ))
      4.200     2.200     1.800 peak  1122 spectrum    3 weight  0.11000E+01 volume  0.24429E-03 ppm1      2.088 ppm2      5.448 CV     1
 ASSI { 1124}
   (( segid "pupa" and resid 3    and name HG1 ))
   (( segid "pupa" and resid 3    and name HG2 ))
      1.900     0.500     0.500 peak  1124 spectrum    3 weight  0.11000E+01 volume  0.11134E-01 ppm1      1.862 ppm2      2.084 CV     1
 ASSI { 1126}
   (( segid "pupa" and resid 3    and name HG2 ))
   (( segid "pupa" and resid 3    and name HB2 ))
      2.700     0.900     0.900 peak  1126 spectrum    3 weight  0.11000E+01 volume  0.33718E-02 ppm1      2.085 ppm2      1.534 CV     1
 OR { 1126}
   (( segid "pupa" and resid 3    and name HG2 ))
   (( segid "pupa" and resid 3    and name HB1 ))
 ASSI { 1127}
   (( segid "pupa" and resid 3    and name HG1 ))
   (( segid "pupa" and resid 3    and name HB1 ))
      2.600     0.900     0.900 peak  1127 spectrum    3 weight  0.11000E+01 volume  0.44175E-02 ppm1      1.868 ppm2      1.530 CV     1
 OR { 1127}
   (( segid "pupa" and resid 3    and name HG1 ))
   (( segid "pupa" and resid 3    and name HB2 ))
 ASSI { 1128}
   (( segid "pupa" and resid 27   and name HG2 ))
   (( segid "pupa" and resid 70   and name HA  ))
      5.000     3.100     1.000 peak  1128 spectrum    3 weight  0.11000E+01 volume  0.18319E-03 ppm1      2.302 ppm2      5.133 CV     1
 ASSI { 1129}
   (( segid "pupa" and resid 27   and name HG1 ))
   (( segid "pupa" and resid 70   and name HA  ))
      5.400     3.700     0.600 peak  1129 spectrum    3 weight  0.11000E+01 volume  0.13699E-03 ppm1      2.198 ppm2      5.143 CV     1
 ASSI { 1130}
   (( segid "pupa" and resid 27   and name HG2 ))
   (( segid "pupa" and resid 27   and name HB1 ))
      2.300     0.600     0.600 peak  1130 spectrum    3 weight  0.11000E+01 volume  0.87107E-02 ppm1      2.306 ppm2      2.031 CV     1
 OR { 1130}
   (( segid "pupa" and resid 27   and name HG2 ))
   (( segid "pupa" and resid 27   and name HB2 ))
 ASSI { 1131}
   (( segid "pupa" and resid 27   and name HG1 ))
   (( segid "pupa" and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1131 spectrum    3 weight  0.11000E+01 volume  0.63991E-02 ppm1      2.196 ppm2      2.035 CV     1
 OR { 1131}
   (( segid "pupa" and resid 27   and name HG1 ))
   (( segid "pupa" and resid 27   and name HB2 ))
 ASSI { 1132}
   (( segid "pupa" and resid 23   and name HB2 ))
   (  segid "pupa" and resid 24   and name HG2%)
      4.300     2.300     1.700 peak  1132 spectrum    3 weight  0.11000E+01 volume  0.34085E-03 ppm1      2.093 ppm2     -0.073 CV     1
 ASSI { 1133}
   (( segid "pupa" and resid 23   and name HB1 ))
   (  segid "pupa" and resid 24   and name HG2%)
      3.800     1.800     1.800 peak  1133 spectrum    3 weight  0.11000E+01 volume  0.33027E-03 ppm1      1.705 ppm2     -0.079 CV     1
 ASSI { 1134}
   (( segid "pupa" and resid 58   and name HB1 ))
   (( segid "pupa" and resid 55   and name HA  ))
      3.900     1.900     1.900 peak  1134 spectrum    3 weight  0.11000E+01 volume  0.43296E-03 ppm1      2.248 ppm2      3.608 CV     1
 ASSI { 1135}
   (  segid "pupa" and resid 6    and name HD1%)
   (( segid "pupa" and resid 47   and name HD2 ))
      3.700     3.700     2.300 peak  1135 spectrum    3 weight  0.11000E+01 volume  0.62456E-03 ppm1      0.883 ppm2      6.554 CV     1
 ASSI { 1136}
   (  segid "pupa" and resid 6    and name HD1%)
   (( segid "pupa" and resid 4    and name HE3 ))
      4.100     2.100     1.900 peak  1136 spectrum    3 weight  0.11000E+01 volume  0.31110E-03 ppm1      0.883 ppm2      7.685 CV     1
 ASSI { 1137}
   (  segid "pupa" and resid 6    and name HD1%)
   (( segid "pupa" and resid 52   and name HA  ))
      4.900     3.000     1.100 peak  1137 spectrum    3 weight  0.11000E+01 volume  0.23496E-03 ppm1      0.880 ppm2      3.752 CV     1
 ASSI { 1138}
   (  segid "pupa" and resid 6    and name HD1%)
   (( segid "pupa" and resid 6    and name HB1 ))
      2.800     1.000     1.000 peak  1138 spectrum    3 weight  0.11000E+01 volume  0.26764E-02 ppm1      0.883 ppm2      1.263 CV     1
 ASSI { 1139}
   (  segid "pupa" and resid 6    and name HD1%)
   (  segid "pupa" and resid 20   and name HD2%)
      2.800     2.800     3.200 peak  1139 spectrum    3 weight  0.11000E+01 volume  0.29019E-02 ppm1      0.883 ppm2      0.564 CV     1
 ASSI { 1141}
   (  segid "pupa" and resid 43   and name HD2%)
   (  segid "pupa" and resid 43   and name HD1%)
      2.600     2.600     3.400 peak  1141 spectrum    3 weight  0.11000E+01 volume  0.43666E-02 ppm1      0.806 ppm2      0.589 CV     1
 ASSI { 1142}
   (  segid "pupa" and resid 56   and name HD1%)
   (( segid "pupa" and resid 40   and name HB1 ))
      4.400     4.400     1.600 peak  1142 spectrum    3 weight  0.11000E+01 volume  0.35237E-03 ppm1      0.736 ppm2      3.607 CV     1
 ASSI { 1143}
   (  segid "pupa" and resid 56   and name HD1%)
   (( segid "pupa" and resid 56   and name HB1 ))
      3.300     1.400     1.400 peak  1143 spectrum    3 weight  0.11000E+01 volume  0.14630E-02 ppm1      0.737 ppm2      1.320 CV     1
 ASSI { 1144}
   (  segid "pupa" and resid 56   and name HD1%)
   (( segid "pupa" and resid 43   and name HB1 ))
      3.200     1.300     1.300 peak  1144 spectrum    3 weight  0.11000E+01 volume  0.10114E-02 ppm1      0.737 ppm2      1.182 CV     1
 ASSI { 1145}
   (  segid "pupa" and resid 56   and name HD1%)
   (  segid "pupa" and resid 43   and name HD1%)
      2.500     2.500     3.500 peak  1145 spectrum    3 weight  0.11000E+01 volume  0.26063E-02 ppm1      0.738 ppm2      0.527 CV     1
 ASSI { 1147}
   (  segid "pupa" and resid 38   and name HD1%)
   (( segid "pupa" and resid 38   and name HB1 ))
      3.000     1.100     1.100 peak  1147 spectrum    3 weight  0.11000E+01 volume  0.45025E-02 ppm1      1.019 ppm2      1.275 CV     1
 ASSI { 1150}
   (( segid "pupa" and resid 20   and name HG  ))
   (  segid "pupa" and resid 20   and name HD1%)
      2.300     0.700     0.700 peak  1150 spectrum    3 weight  0.11000E+01 volume  0.66315E-02 ppm1      1.100 ppm2      0.550 CV     1
 ASSI { 1152}
   (  segid "pupa" and resid 53   and name HD1%)
   (( segid "pupa" and resid 64   and name HD2 ))
      3.300     3.300     2.700 peak  1152 spectrum    3 weight  0.11000E+01 volume  0.93129E-03 ppm1      0.376 ppm2      6.732 CV     1
 ASSI { 1153}
   (  segid "pupa" and resid 53   and name HD1%)
   (( segid "pupa" and resid 49   and name HB1 ))
      3.700     1.800     1.800 peak  1153 spectrum    3 weight  0.11000E+01 volume  0.42859E-03 ppm1      0.377 ppm2      1.929 CV     1
 ASSI { 1160}
   (  segid "pupa" and resid 28   and name HD1%)
   (  segid "pupa" and resid 53   and name HD2%)
      3.100     3.100     2.900 peak  1160 spectrum    3 weight  0.11000E+01 volume  0.17419E-02 ppm1      0.782 ppm2      0.371 CV     1
 ASSI { 1161}
   (  segid "pupa" and resid 28   and name HD1%)
   (  segid "pupa" and resid 17   and name HD2%)
      2.500     2.500     3.500 peak  1161 spectrum    3 weight  0.11000E+01 volume  0.62961E-02 ppm1      0.782 ppm2      0.522 CV     1
 ASSI { 1162}
   (  segid "pupa" and resid 20   and name HD2%)
   (( segid "pupa" and resid 52   and name HB1 ))
      4.000     4.000     2.000 peak  1162 spectrum    3 weight  0.11000E+01 volume  0.40348E-03 ppm1      0.549 ppm2      3.479 CV     1
 ASSI { 1163}
   (  segid "pupa" and resid 20   and name HD2%)
   (( segid "pupa" and resid 20   and name HG  ))
      2.500     0.800     0.800 peak  1163 spectrum    3 weight  0.11000E+01 volume  0.49760E-02 ppm1      0.550 ppm2      1.094 CV     1
 ASSI { 1164}
   (  segid "pupa" and resid 20   and name HD2%)
   (  segid "pupa" and resid 56   and name HD2%)
      2.800     2.800     3.200 peak  1164 spectrum    3 weight  0.11000E+01 volume  0.34249E-02 ppm1      0.549 ppm2      0.767 CV     1
 ASSI { 1165}
   (  segid "pupa" and resid 20   and name HD2%)
   (  segid "pupa" and resid 53   and name HD1%)
      3.000     3.000     3.000 peak  1165 spectrum    3 weight  0.11000E+01 volume  0.26427E-02 ppm1      0.549 ppm2      0.362 CV     1
 ASSI { 1166}
   (  segid "pupa" and resid 20   and name HD2%)
   (( segid "pupa" and resid 20   and name HB1 ))
      2.700     0.900     0.900 peak  1166 spectrum    3 weight  0.11000E+01 volume  0.30211E-02 ppm1      0.549 ppm2      1.183 CV     1
 ASSI { 1168}
   (  segid "pupa" and resid 57   and name HD1%)
   (( segid "pupa" and resid 57   and name HA  ))
      4.400     2.400     1.600 peak  1168 spectrum    3 weight  0.11000E+01 volume  0.17388E-03 ppm1      0.702 ppm2      4.220 CV     1
 ASSI { 1170}
   (  segid "pupa" and resid 57   and name HD1%)
   (  segid "pupa" and resid 60   and name HG2%)
      3.800     3.800     2.200 peak  1170 spectrum    3 weight  0.11000E+01 volume  0.80922E-03 ppm1      0.702 ppm2      1.270 CV     1
 ASSI { 1171}
   (  segid "pupa" and resid 57   and name HD1%)
   (( segid "pupa" and resid 57   and name HB1 ))
      3.500     1.600     1.600 peak  1171 spectrum    3 weight  0.11000E+01 volume  0.10081E-02 ppm1      0.701 ppm2      1.574 CV     1
 ASSI { 1173}
   (  segid "pupa" and resid 49   and name HD2%)
   (( segid "pupa" and resid 49   and name HG  ))
      2.900     1.000     1.000 peak  1173 spectrum    3 weight  0.11000E+01 volume  0.19726E-02 ppm1      0.874 ppm2      1.603 CV     1
 ASSI { 1174}
   (  segid "pupa" and resid 49   and name HD2%)
   (  segid "pupa" and resid 53   and name HD1%)
      3.700     1.800     1.800 peak  1174 spectrum    3 weight  0.11000E+01 volume  0.53741E-03 ppm1      0.869 ppm2      0.380 CV     1
 ASSI { 1175}
   (  segid "pupa" and resid 49   and name HD2%)
   (  segid "pupa" and resid 24   and name HG2%)
      4.200     2.200     1.800 peak  1175 spectrum    3 weight  0.11000E+01 volume  0.36044E-03 ppm1      0.868 ppm2     -0.084 CV     1
 ASSI { 1176}
   (  segid "pupa" and resid 49   and name HD2%)
   (( segid "pupa" and resid 4    and name HH2 ))
      4.000     2.000     2.000 peak  1176 spectrum    3 weight  0.11000E+01 volume  0.14909E-03 ppm1      0.870 ppm2      7.085 CV     1
 ASSI { 1177}
   (  segid "pupa" and resid 49   and name HD2%)
   (( segid "pupa" and resid 53   and name HG  ))
      4.300     2.300     1.700 peak  1177 spectrum    3 weight  0.11000E+01 volume  0.28189E-03 ppm1      0.874 ppm2      1.254 CV     1
 ASSI { 1178}
   (  segid "pupa" and resid 17   and name HD1%)
   (  segid "pupa" and resid 30   and name HD% )
      3.900     1.900     1.900 peak  1178 spectrum    3 weight  0.11000E+01 volume  0.34586E-03 ppm1      0.055 ppm2      6.545 CV     1
 ASSI { 1179}
   (  segid "pupa" and resid 17   and name HD1%)
   (  segid "pupa" and resid 30   and name HE% )
      4.100     2.100     1.900 peak  1179 spectrum    3 weight  0.11000E+01 volume  0.26456E-03 ppm1      0.054 ppm2      6.661 CV     1
 ASSI { 1181}
   (  segid "pupa" and resid 6    and name HD2%)
   (( segid "pupa" and resid 20   and name HA  ))
      4.500     2.500     1.500 peak  1181 spectrum    3 weight  0.11000E+01 volume  0.33920E-03 ppm1      0.733 ppm2      3.647 CV     1
 ASSI { 1182}
   (  segid "pupa" and resid 6    and name HD2%)
   (( segid "pupa" and resid 23   and name HG1 ))
      4.800     2.800     1.200 peak  1182 spectrum    3 weight  0.11000E+01 volume  0.31800E-03 ppm1      0.731 ppm2      2.360 CV     1
 ASSI { 1183}
   (  segid "pupa" and resid 6    and name HD2%)
   (( segid "pupa" and resid 4    and name HE3 ))
      4.700     2.800     1.300 peak  1183 spectrum    3 weight  0.11000E+01 volume  0.15328E-03 ppm1      0.732 ppm2      7.676 CV     1
 ASSI { 1184}
   (  segid "pupa" and resid 6    and name HD2%)
   (( segid "pupa" and resid 6    and name HB1 ))
      2.700     0.900     0.900 peak  1184 spectrum    3 weight  0.11000E+01 volume  0.24363E-02 ppm1      0.732 ppm2      1.278 CV     1
 ASSI { 1185}
   (  segid "pupa" and resid 28   and name HD2%)
   (( segid "pupa" and resid 30   and name HD1 ))
      4.400     4.400     1.600 peak  1185 spectrum    3 weight  0.11000E+01 volume  0.33881E-03 ppm1      0.678 ppm2      6.545 CV     1
 ASSI { 1186}
   (  segid "pupa" and resid 28   and name HD2%)
   (( segid "pupa" and resid 30   and name HE1 ))
      4.600     2.600     1.400 peak  1186 spectrum    3 weight  0.11000E+01 volume  0.21406E-03 ppm1      0.678 ppm2      6.673 CV     1
 ASSI { 1187}
   (  segid "pupa" and resid 28   and name HD2%)
   (  segid "pupa" and resid 53   and name HD2%)
      3.200     3.200     2.800 peak  1187 spectrum    3 weight  0.11000E+01 volume  0.12832E-02 ppm1      0.678 ppm2      0.374 CV     1
 ASSI { 1188}
   (  segid "pupa" and resid 43   and name HD1%)
   (( segid "pupa" and resid 47   and name HD2 ))
      3.400     3.400     2.600 peak  1188 spectrum    3 weight  0.11000E+01 volume  0.96909E-03 ppm1      0.592 ppm2      6.550 CV     1
 ASSI { 1189}
   (  segid "pupa" and resid 43   and name HD1%)
   (( segid "pupa" and resid 43   and name HG  ))
      2.400     2.400     3.600 peak  1189 spectrum    3 weight  0.11000E+01 volume  0.52872E-02 ppm1      0.591 ppm2      1.224 CV     1
 ASSI { 1190}
   (  segid "pupa" and resid 20   and name HD1%)
   (( segid "pupa" and resid 24   and name HB  ))
      5.300     3.500     0.700 peak  1190 spectrum    3 weight  0.11000E+01 volume  0.12142E-03 ppm1      0.550 ppm2      2.842 CV     1
 ASSI { 1191}
   (  segid "pupa" and resid 20   and name HD1%)
   (( segid "pupa" and resid 23   and name HB2 ))
      4.500     2.500     1.500 peak  1191 spectrum    3 weight  0.11000E+01 volume  0.16268E-03 ppm1      0.546 ppm2      2.102 CV     1
 ASSI { 1194}
   (  segid "pupa" and resid 20   and name HD1%)
   (  segid "pupa" and resid 53   and name HD1%)
      3.100     3.100     2.900 peak  1194 spectrum    3 weight  0.11000E+01 volume  0.22023E-02 ppm1      0.549 ppm2      0.363 CV     1
 ASSI { 1195}
   (  segid "pupa" and resid 28   and name HD2%)
   (  segid "pupa" and resid 26   and name HG2%)
      3.400     3.400     2.600 peak  1195 spectrum    3 weight  0.11000E+01 volume  0.13509E-02 ppm1      0.680 ppm2      0.989 CV     1
 ASSI { 1196}
   (  segid "pupa" and resid 28   and name HD2%)
   (  segid "pupa" and resid 17   and name HD1%)
      4.000     2.000     2.000 peak  1196 spectrum    3 weight  0.11000E+01 volume  0.46726E-03 ppm1      0.677 ppm2      0.058 CV     1
 ASSI { 1197}
   (  segid "pupa" and resid 57   and name HD2%)
   (( segid "pupa" and resid 57   and name HB1 ))
      3.000     1.100     1.100 peak  1197 spectrum    3 weight  0.11000E+01 volume  0.24118E-02 ppm1      0.730 ppm2      1.576 CV     1
 ASSI { 1198}
   (  segid "pupa" and resid 57   and name HD2%)
   (  segid "pupa" and resid 64   and name HE% )
      3.900     3.900     2.100 peak  1198 spectrum    3 weight  0.11000E+01 volume  0.62376E-03 ppm1      0.725 ppm2      6.738 CV     1
 ASSI { 1199}
   (  segid "pupa" and resid 38   and name HD2%)
   (  segid "pupa" and resid 13   and name HE% )
      3.400     1.400     1.400 peak  1199 spectrum    3 weight  0.11000E+01 volume  0.43049E-03 ppm1      0.966 ppm2      1.913 CV     1
 ASSI { 1200}
   (  segid "pupa" and resid 17   and name HD2%)
   (( segid "pupa" and resid 17   and name HG  ))
      2.400     0.700     0.700 peak  1200 spectrum    3 weight  0.11000E+01 volume  0.53398E-02 ppm1      0.499 ppm2      1.593 CV     1
 ASSI { 1201}
   (  segid "pupa" and resid 72   and name HG2%)
   (  segid "pupa" and resid 73   and name HG2%)
      3.400     3.400     2.600 peak  1201 spectrum    3 weight  0.11000E+01 volume  0.24941E-02 ppm1      1.138 ppm2      0.824 CV     1
 ASSI { 1202}
   (  segid "pupa" and resid 13   and name HE% )
   (  segid "pupa" and resid 17   and name HD1%)
      4.500     4.500     1.500 peak  1202 spectrum    3 weight  0.11000E+01 volume  0.27531E-03 ppm1      1.902 ppm2      0.057 CV     1
 ASSI { 1203}
   (  segid "pupa" and resid 13   and name HE% )
   (  segid "pupa" and resid 17   and name HD2%)
      4.100     4.100     1.900 peak  1203 spectrum    3 weight  0.11000E+01 volume  0.36009E-03 ppm1      1.900 ppm2      0.513 CV     1
 ASSI { 1204}
   (  segid "pupa" and resid 13   and name HE% )
   (( segid "pupa" and resid 38   and name HA  ))
      5.100     5.100     0.900 peak  1204 spectrum    3 weight  0.11000E+01 volume  0.15929E-03 ppm1      1.900 ppm2      4.641 CV     1
 ASSI { 1205}
   (  segid "pupa" and resid 13   and name HE% )
   (( segid "pupa" and resid 39   and name HA  ))
      4.600     2.600     1.400 peak  1205 spectrum    3 weight  0.11000E+01 volume  0.18817E-03 ppm1      1.904 ppm2      4.879 CV     1
 ASSI { 1206}
   (( segid "pupa" and resid 70   and name HB  ))
   (( segid "pupa" and resid 67   and name HB1 ))
      4.200     2.200     1.800 peak  1206 spectrum    3 weight  0.11000E+01 volume  0.25263E-03 ppm1      4.222 ppm2      2.497 CV     1
 ASSI { 1207}
   (( segid "pupa" and resid 70   and name HB  ))
   (  segid "pupa" and resid 71   and name HG2%)
      3.900     3.900     2.100 peak  1207 spectrum    3 weight  0.11000E+01 volume  0.65616E-03 ppm1      4.218 ppm2      0.820 CV     1
 ASSI { 1208}
   (( segid "pupa" and resid 72   and name HB  ))
   (  segid "pupa" and resid 71   and name HG1%)
      5.000     3.100     1.000 peak  1208 spectrum    3 weight  0.11000E+01 volume  0.23356E-03 ppm1      3.947 ppm2      0.824 CV     1
ASSI { 1209}
   (( segid "pupa" and resid 54   and name HA  ))
   (( segid "pupa" and resid 64   and name HE1 ))
      3.900     1.200     1.200 peak  1209 spectrum    3 weight  0.11000E+01 volume  0.65616E-03 ppm1      3.900 ppm2      6.751 CV     1
ASSI { 1210}
   (( segid "pupa" and resid 50   and name HA  ))
   (( segid "pupa" and resid 64   and name HE2 ))
      4.600     2.600     1.400 peak  1210 spectrum    3 weight  0.11000E+01 volume  0.65616E-03 ppm1      3.802 ppm2      6.742 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1H        SER   1 -11.483  -7.596  -6.937
    2   2H    SER   1          2H        SER   1 -10.414  -7.591  -8.243
    3   3H    SER   1          3H        SER   1 -10.431  -6.291  -7.157
    4    HA   SER   1           HA       SER   1  -9.664  -7.695  -5.384
    5   1HB   SER   1          1HB       SER   1  -9.549  -9.848  -7.509
    6   2HB   SER   1          2HB       SER   1  -9.028 -10.018  -5.832
    7    HG   SER   1           HG       SER   1 -11.026 -10.717  -5.640
    8    H    GLN   2           H        GLN   2  -8.680  -5.778  -7.308
    9    HA   GLN   2           HA       GLN   2  -6.103  -6.746  -8.175
   10   1HB   GLN   2          1HB       GLN   2  -7.355  -3.999  -8.223
   11   2HB   GLN   2          2HB       GLN   2  -5.724  -4.325  -8.791
   12   1HG   GLN   2          1HG       GLN   2  -6.855  -4.437 -10.759
   13   2HG   GLN   2          2HG       GLN   2  -6.944  -6.124 -10.264
   14   1HE2  GLN   2          1HE2      GLN   2  -8.667  -4.601 -12.032
   15   2HE2  GLN   2          2HE2      GLN   2 -10.265  -4.715 -11.372
   16    H    GLU   3           H        GLU   3  -5.863  -7.405  -5.809
   17    HA   GLU   3           HA       GLU   3  -4.278  -5.335  -4.464
   18   1HB   GLU   3          1HB       GLU   3  -6.182  -7.275  -3.126
   19   2HB   GLU   3          2HB       GLU   3  -5.069  -6.209  -2.280
   20   1HG   GLU   3          1HG       GLU   3  -6.224  -4.265  -3.234
   21   2HG   GLU   3          2HG       GLU   3  -7.358  -5.347  -4.038
   22    H    TRP   4           H        TRP   4  -2.828  -6.476  -2.754
   23    HA   TRP   4           HA       TRP   4  -1.837  -8.974  -3.933
   24   1HB   TRP   4          1HB       TRP   4  -0.182  -6.486  -3.451
   25   2HB   TRP   4          2HB       TRP   4   0.493  -8.067  -3.832
   26    HD1  TRP   4           HD1      TRP   4   0.190  -8.960  -6.350
   27    HE1  TRP   4           HE1      TRP   4  -0.317  -7.727  -8.556
   28    HE3  TRP   4           HE3      TRP   4  -1.472  -4.516  -4.434
   29    HZ2  TRP   4           HZ2      TRP   4  -1.289  -5.210  -9.367
   30    HZ3  TRP   4           HZ3      TRP   4  -2.174  -2.751  -5.999
   31    HH2  TRP   4           HH2      TRP   4  -2.084  -3.091  -8.409
   32    H    THR   5           H        THR   5  -0.303 -10.093  -2.549
   33    HA   THR   5           HA       THR   5  -0.796  -9.534   0.277
   34    HB   THR   5           HB       THR   5  -1.260 -11.827  -0.294
   35    HG1  THR   5           HG1      THR   5  -0.398 -12.186   1.595
   36   1HG2  THR   5          1HG2      THR   5   1.553 -11.996  -1.379
   37   2HG2  THR   5          2HG2      THR   5   0.068 -12.018  -2.334
   38   3HG2  THR   5          3HG2      THR   5   0.423 -13.342  -1.223
   39    H    LEU   6           H        LEU   6   0.566  -8.046   0.966
   40    HA   LEU   6           HA       LEU   6   3.149  -7.751  -0.308
   41   1HB   LEU   6          1HB       LEU   6   1.834  -6.067   1.818
   42   2HB   LEU   6          2HB       LEU   6   3.290  -5.651   0.933
   43    HG   LEU   6           HG       LEU   6   0.518  -5.927  -0.228
   44   1HD1  LEU   6          1HD1      LEU   6   0.838  -3.905   1.087
   45   2HD1  LEU   6          2HD1      LEU   6   0.732  -3.529  -0.632
   46   3HD1  LEU   6          3HD1      LEU   6   2.300  -3.531   0.174
   47   1HD2  LEU   6          1HD2      LEU   6   3.117  -5.193  -1.572
   48   2HD2  LEU   6          2HD2      LEU   6   1.520  -5.159  -2.318
   49   3HD2  LEU   6          3HD2      LEU   6   2.221  -6.693  -1.806
   50    H    ASP   7           H        ASP   7   5.092  -7.655   0.733
   51    HA   ASP   7           HA       ASP   7   5.214  -8.497   3.547
   52   1HB   ASP   7          1HB       ASP   7   5.915 -10.383   2.125
   53   2HB   ASP   7          2HB       ASP   7   7.069  -9.340   1.300
   54    H    ILE   8           H        ILE   8   5.657  -6.551   4.439
   55    HA   ILE   8           HA       ILE   8   7.701  -4.866   3.153
   56    HB   ILE   8           HB       ILE   8   5.251  -4.015   4.708
   57   1HG1  ILE   8          1HG1      ILE   8   4.727  -4.737   2.439
   58   2HG1  ILE   8          2HG1      ILE   8   4.559  -2.991   2.570
   59   1HG2  ILE   8          1HG2      ILE   8   7.112  -2.533   5.182
   60   2HG2  ILE   8          2HG2      ILE   8   5.916  -1.720   4.170
   61   3HG2  ILE   8          3HG2      ILE   8   7.410  -2.331   3.458
   62   1HD1  ILE   8          1HD1      ILE   8   6.743  -2.709   1.502
   63   2HD1  ILE   8          2HD1      ILE   8   5.614  -3.602   0.482
   64   3HD1  ILE   8          3HD1      ILE   8   6.884  -4.462   1.353
   65    HA   PRO   9           HA       PRO   9   9.921  -5.372   7.023
   66   1HB   PRO   9          1HB       PRO   9  11.527  -3.145   5.921
   67   2HB   PRO   9          2HB       PRO   9  12.039  -4.757   6.431
   68   1HG   PRO   9          1HG       PRO   9  11.943  -4.093   3.846
   69   2HG   PRO   9          2HG       PRO   9  11.494  -5.719   4.397
   70   1HD   PRO   9          1HD       PRO   9   9.734  -3.420   3.634
   71   2HD   PRO   9          2HD       PRO   9   9.565  -5.143   3.241
   72    H    ALA  10           H        ALA  10  10.244  -4.184   8.891
   73    HA   ALA  10           HA       ALA  10   8.710  -1.669   9.069
   74   1HB   ALA  10          1HB       ALA  10   9.273  -3.711  11.219
   75   2HB   ALA  10          2HB       ALA  10   7.743  -3.504  10.366
   76   3HB   ALA  10          3HB       ALA  10   8.341  -2.227  11.424
   77    H    GLN  11           H        GLN  11  11.549  -2.232   8.388
   78    HA   GLN  11           HA       GLN  11  12.973  -0.935  10.580
   79   1HB   GLN  11          1HB       GLN  11  14.999  -1.554   9.253
   80   2HB   GLN  11          2HB       GLN  11  14.018  -2.939   9.717
   81   1HG   GLN  11          1HG       GLN  11  12.963  -2.786   7.422
   82   2HG   GLN  11          2HG       GLN  11  14.247  -1.650   7.016
   83   1HE2  GLN  11          1HE2      GLN  11  15.118  -2.971   5.466
   84   2HE2  GLN  11          2HE2      GLN  11  15.959  -4.439   5.830
   85    H    SER  12           H        SER  12  14.987   0.103   8.648
   86    HA   SER  12           HA       SER  12  14.103   2.697   8.337
   87   1HB   SER  12          1HB       SER  12  16.142   1.269   6.617
   88   2HB   SER  12          2HB       SER  12  16.023   3.010   6.875
   89    HG   SER  12           HG       SER  12  17.044   2.796   8.700
   90    H    MET  13           H        MET  13  12.930   3.766   6.962
   91    HA   MET  13           HA       MET  13  10.993   2.685   5.368
   92   1HB   MET  13          1HB       MET  13  11.025   4.990   6.234
   93   2HB   MET  13          2HB       MET  13  12.274   5.406   5.072
   94   1HG   MET  13          1HG       MET  13  10.288   6.217   4.157
   95   2HG   MET  13          2HG       MET  13  10.623   4.731   3.272
   96   1HE   MET  13          1HE       MET  13   7.401   5.202   6.534
   97   2HE   MET  13          2HE       MET  13   8.385   6.520   5.904
   98   3HE   MET  13          3HE       MET  13   9.127   5.266   6.896
   99    H    ASN  14           H        ASN  14  14.246   3.596   4.412
  100    HA   ASN  14           HA       ASN  14  13.943   3.632   1.640
  101   1HB   ASN  14          1HB       ASN  14  16.325   3.286   1.482
  102   2HB   ASN  14          2HB       ASN  14  15.998   4.382   2.816
  103   1HD2  ASN  14          1HD2      ASN  14  18.350   2.790   2.320
  104   2HD2  ASN  14          2HD2      ASN  14  18.521   1.723   3.677
  105    H    SER  15           H        SER  15  14.235   0.957   3.851
  106    HA   SER  15           HA       SER  15  14.764  -1.006   1.821
  107   1HB   SER  15          1HB       SER  15  13.788  -1.515   4.644
  108   2HB   SER  15          2HB       SER  15  14.703  -2.603   3.594
  109    HG   SER  15           HG       SER  15  15.846  -0.123   4.172
  110    H    ALA  16           H        ALA  16  11.977  -0.013   3.770
  111    HA   ALA  16           HA       ALA  16  10.207  -2.022   2.953
  112   1HB   ALA  16          1HB       ALA  16   9.826  -0.541   4.879
  113   2HB   ALA  16          2HB       ALA  16   8.441  -0.605   3.789
  114   3HB   ALA  16          3HB       ALA  16   9.516   0.791   3.768
  115    H    LEU  17           H        LEU  17  10.735   1.232   1.638
  116    HA   LEU  17           HA       LEU  17   8.705   1.074  -0.320
  117   1HB   LEU  17          1HB       LEU  17  11.202   2.771  -0.271
  118   2HB   LEU  17          2HB       LEU  17   9.845   3.002  -1.356
  119    HG   LEU  17           HG       LEU  17   9.786   3.295   1.646
  120   1HD1  LEU  17          1HD1      LEU  17   9.540   5.334  -0.556
  121   2HD1  LEU  17          2HD1      LEU  17  10.931   5.119   0.506
  122   3HD1  LEU  17          3HD1      LEU  17   9.388   5.655   1.172
  123   1HD2  LEU  17          1HD2      LEU  17   7.491   4.089   1.328
  124   2HD2  LEU  17          2HD2      LEU  17   7.674   2.410   0.820
  125   3HD2  LEU  17          3HD2      LEU  17   7.596   3.694  -0.388
  126    H    GLN  18           H        GLN  18  12.191   0.422  -0.462
  127    HA   GLN  18           HA       GLN  18  12.278  -0.188  -3.213
  128   1HB   GLN  18          1HB       GLN  18  14.266   0.313  -1.806
  129   2HB   GLN  18          2HB       GLN  18  14.072  -1.247  -1.021
  130   1HG   GLN  18          1HG       GLN  18  14.456  -2.380  -3.131
  131   2HG   GLN  18          2HG       GLN  18  14.597  -0.828  -3.953
  132   1HE2  GLN  18          1HE2      GLN  18  16.423   0.432  -3.624
  133   2HE2  GLN  18          2HE2      GLN  18  17.877  -0.205  -2.929
  134    H    ALA  19           H        ALA  19  11.663  -2.179  -0.372
  135    HA   ALA  19           HA       ALA  19  11.606  -4.676  -1.692
  136   1HB   ALA  19          1HB       ALA  19  10.430  -5.501   0.275
  137   2HB   ALA  19          2HB       ALA  19  10.131  -3.846   0.807
  138   3HB   ALA  19          3HB       ALA  19  11.780  -4.471   0.748
  139    H    LEU  20           H        LEU  20   9.159  -2.209  -1.118
  140    HA   LEU  20           HA       LEU  20   6.932  -3.743  -1.988
  141   1HB   LEU  20          1HB       LEU  20   6.709  -1.739  -0.581
  142   2HB   LEU  20          2HB       LEU  20   7.322  -0.747  -1.890
  143    HG   LEU  20           HG       LEU  20   5.343  -1.357  -3.250
  144   1HD1  LEU  20          1HD1      LEU  20   4.834  -3.513  -2.247
  145   2HD1  LEU  20          2HD1      LEU  20   3.438  -2.441  -2.149
  146   3HD1  LEU  20          3HD1      LEU  20   4.435  -2.724  -0.722
  147   1HD2  LEU  20          1HD2      LEU  20   3.729  -0.026  -1.976
  148   2HD2  LEU  20          2HD2      LEU  20   5.340   0.691  -1.945
  149   3HD2  LEU  20          3HD2      LEU  20   4.739  -0.188  -0.539
  150    H    ALA  21           H        ALA  21   9.344  -1.793  -3.521
  151    HA   ALA  21           HA       ALA  21   8.032  -1.185  -5.946
  152   1HB   ALA  21          1HB       ALA  21  10.260  -0.659  -6.798
  153   2HB   ALA  21          2HB       ALA  21  10.992  -1.466  -5.411
  154   3HB   ALA  21          3HB       ALA  21  10.037  -0.001  -5.178
  155    H    LYS  22           H        LYS  22  10.489  -3.633  -5.212
  156    HA   LYS  22           HA       LYS  22  10.392  -4.930  -7.703
  157   1HB   LYS  22          1HB       LYS  22  11.228  -5.988  -4.998
  158   2HB   LYS  22          2HB       LYS  22  11.551  -6.786  -6.529
  159   1HG   LYS  22          1HG       LYS  22  12.990  -5.018  -7.228
  160   2HG   LYS  22          2HG       LYS  22  12.534  -4.029  -5.840
  161   1HD   LYS  22          1HD       LYS  22  14.732  -5.097  -5.539
  162   2HD   LYS  22          2HD       LYS  22  13.563  -5.623  -4.328
  163   1HE   LYS  22          1HE       LYS  22  13.151  -7.663  -5.665
  164   2HE   LYS  22          2HE       LYS  22  14.399  -7.143  -6.797
  165   1HZ   LYS  22          1HZ       LYS  22  14.828  -7.696  -3.909
  166   2HZ   LYS  22          2HZ       LYS  22  16.024  -7.258  -5.030
  167   3HZ   LYS  22          3HZ       LYS  22  15.231  -8.751  -5.176
  168    H    GLN  23           H        GLN  23   8.521  -5.351  -4.769
  169    HA   GLN  23           HA       GLN  23   7.573  -7.952  -5.548
  170   1HB   GLN  23          1HB       GLN  23   6.959  -6.161  -3.210
  171   2HB   GLN  23          2HB       GLN  23   6.157  -7.708  -3.456
  172   1HG   GLN  23          1HG       GLN  23   8.211  -8.892  -3.276
  173   2HG   GLN  23          2HG       GLN  23   9.143  -7.399  -3.316
  174   1HE2  GLN  23          1HE2      GLN  23   6.192  -7.800  -1.460
  175   2HE2  GLN  23          2HE2      GLN  23   6.961  -7.714   0.092
  176    H    THR  24           H        THR  24   6.459  -4.722  -6.090
  177    HA   THR  24           HA       THR  24   3.897  -5.863  -7.001
  178    HB   THR  24           HB       THR  24   2.895  -3.606  -6.694
  179    HG1  THR  24           HG1      THR  24   5.283  -3.038  -5.227
  180   1HG2  THR  24          1HG2      THR  24   2.697  -3.759  -4.259
  181   2HG2  THR  24          2HG2      THR  24   4.087  -4.842  -4.211
  182   3HG2  THR  24          3HG2      THR  24   2.599  -5.351  -5.010
  183    H    ASP  25           H        ASP  25   6.692  -5.041  -8.218
  184    HA   ASP  25           HA       ASP  25   7.471  -4.425 -10.258
  185   1HB   ASP  25          1HB       ASP  25   4.572  -4.758 -11.073
  186   2HB   ASP  25          2HB       ASP  25   5.917  -4.575 -12.193
  187    H    THR  26           H        THR  26   7.181  -2.331  -8.582
  188    HA   THR  26           HA       THR  26   6.175  -0.204 -10.348
  189    HB   THR  26           HB       THR  26   5.638   1.060  -8.193
  190    HG1  THR  26           HG1      THR  26   5.201  -1.348  -6.887
  191   1HG2  THR  26          1HG2      THR  26   3.438  -0.002  -7.962
  192   2HG2  THR  26          2HG2      THR  26   4.023  -1.405  -8.855
  193   3HG2  THR  26          3HG2      THR  26   3.896   0.163  -9.656
  194    H    GLN  27           H        GLN  27   7.246   1.807 -10.191
  195    HA   GLN  27           HA       GLN  27   9.967   1.654  -9.096
  196   1HB   GLN  27          1HB       GLN  27   8.709   3.337 -11.256
  197   2HB   GLN  27          2HB       GLN  27  10.246   3.778 -10.528
  198   1HG   GLN  27          1HG       GLN  27   9.696   1.158 -11.906
  199   2HG   GLN  27          2HG       GLN  27  10.470   2.553 -12.660
  200   1HE2  GLN  27          1HE2      GLN  27  12.524   3.194 -11.950
  201   2HE2  GLN  27          2HE2      GLN  27  13.570   2.100 -11.102
  202    H    LEU  28           H        LEU  28  10.371   2.734  -7.270
  203    HA   LEU  28           HA       LEU  28   8.452   4.810  -6.463
  204   1HB   LEU  28          1HB       LEU  28   9.898   2.741  -4.832
  205   2HB   LEU  28          2HB       LEU  28   9.320   4.223  -4.095
  206    HG   LEU  28           HG       LEU  28   7.010   3.621  -4.899
  207   1HD1  LEU  28          1HD1      LEU  28   7.603   2.071  -6.666
  208   2HD1  LEU  28          2HD1      LEU  28   6.578   1.281  -5.467
  209   3HD1  LEU  28          3HD1      LEU  28   8.314   0.969  -5.486
  210   1HD2  LEU  28          1HD2      LEU  28   6.633   1.973  -3.130
  211   2HD2  LEU  28          2HD2      LEU  28   7.693   3.278  -2.599
  212   3HD2  LEU  28          3HD2      LEU  28   8.372   1.705  -3.016
  213    H    LEU  29           H        LEU  29   9.221   6.775  -6.205
  214    HA   LEU  29           HA       LEU  29  12.139   7.126  -6.201
  215   1HB   LEU  29          1HB       LEU  29   9.902   8.907  -7.151
  216   2HB   LEU  29          2HB       LEU  29  11.533   9.496  -6.917
  217    HG   LEU  29           HG       LEU  29  11.295   9.058  -9.230
  218   1HD1  LEU  29          1HD1      LEU  29  12.759   6.730  -8.004
  219   2HD1  LEU  29          2HD1      LEU  29  13.418   8.341  -8.287
  220   3HD1  LEU  29          3HD1      LEU  29  12.951   7.328  -9.652
  221   1HD2  LEU  29          1HD2      LEU  29  10.237   6.337  -8.481
  222   2HD2  LEU  29          2HD2      LEU  29  10.598   6.872 -10.123
  223   3HD2  LEU  29          3HD2      LEU  29   9.321   7.665  -9.197
  224    H    TYR  30           H        TYR  30  13.046   7.768  -4.422
  225    HA   TYR  30           HA       TYR  30  11.807   9.640  -2.622
  226   1HB   TYR  30          1HB       TYR  30  11.981   8.140  -0.642
  227   2HB   TYR  30          2HB       TYR  30  10.777   7.593  -1.803
  228    HD1  TYR  30           HD1      TYR  30  11.248   5.613  -3.229
  229    HD2  TYR  30           HD2      TYR  30  13.900   6.804  -0.122
  230    HE1  TYR  30           HE1      TYR  30  12.308   3.398  -3.291
  231    HE2  TYR  30           HE2      TYR  30  14.971   4.592  -0.183
  232    HH   TYR  30           HH       TYR  30  14.364   2.262  -0.886
  233    H    SER  31           H        SER  31  13.317  10.371  -0.986
  234    HA   SER  31           HA       SER  31  16.089   9.929  -1.815
  235   1HB   SER  31          1HB       SER  31  15.300  12.263  -1.849
  236   2HB   SER  31          2HB       SER  31  14.900  12.152  -0.135
  237    HG   SER  31           HG       SER  31  17.136  12.957  -1.058
  238    HA   PRO  32           HA       PRO  32  16.393   7.332   1.829
  239   1HB   PRO  32          1HB       PRO  32  19.088   6.873   1.541
  240   2HB   PRO  32          2HB       PRO  32  17.832   5.973   0.686
  241   1HG   PRO  32          1HG       PRO  32  19.505   8.263  -0.260
  242   2HG   PRO  32          2HG       PRO  32  19.029   6.790  -1.124
  243   1HD   PRO  32          1HD       PRO  32  17.803   9.143  -1.555
  244   2HD   PRO  32          2HD       PRO  32  16.915   7.605  -1.604
  245    H    GLU  33           H        GLU  33  18.441  10.082   1.096
  246    HA   GLU  33           HA       GLU  33  19.551  10.279   3.736
  247   1HB   GLU  33          1HB       GLU  33  20.522  12.371   2.938
  248   2HB   GLU  33          2HB       GLU  33  20.767  11.087   1.763
  249   1HG   GLU  33          1HG       GLU  33  18.704  11.979   0.584
  250   2HG   GLU  33          2HG       GLU  33  18.850  13.386   1.633
  251    H    ASP  34           H        ASP  34  16.760  11.529   2.077
  252    HA   ASP  34           HA       ASP  34  16.382  13.735   3.911
  253   1HB   ASP  34          1HB       ASP  34  15.908  13.926   1.470
  254   2HB   ASP  34          2HB       ASP  34  14.585  12.782   1.673
  255    H    ILE  35           H        ILE  35  15.605  10.488   3.977
  256    HA   ILE  35           HA       ILE  35  13.083  10.903   5.397
  257    HB   ILE  35           HB       ILE  35  12.909   8.417   5.379
  258   1HG1  ILE  35          1HG1      ILE  35  15.398   8.604   3.666
  259   2HG1  ILE  35          2HG1      ILE  35  15.310   7.906   5.280
  260   1HG2  ILE  35          1HG2      ILE  35  12.413   8.231   2.990
  261   2HG2  ILE  35          2HG2      ILE  35  13.309   9.720   2.691
  262   3HG2  ILE  35          3HG2      ILE  35  11.837   9.756   3.660
  263   1HD1  ILE  35          1HD1      ILE  35  13.804   6.871   2.892
  264   2HD1  ILE  35          2HD1      ILE  35  13.914   6.128   4.488
  265   3HD1  ILE  35          3HD1      ILE  35  15.345   6.234   3.465
  266    H    GLY  36           H        GLY  36  16.286  10.828   6.141
  267   1HA   GLY  36          1HA       GLY  36  17.399  10.813   8.137
  268   2HA   GLY  36          2HA       GLY  36  15.831  11.056   8.881
  269    H    GLY  37           H        GLY  37  16.204   8.171   7.046
  270   1HA   GLY  37          1HA       GLY  37  16.340   5.963   7.657
  271   2HA   GLY  37          2HA       GLY  37  17.253   6.489   9.066
  272    H    LEU  38           H        LEU  38  13.946   7.346   8.161
  273    HA   LEU  38           HA       LEU  38  12.964   6.725  10.785
  274   1HB   LEU  38          1HB       LEU  38  11.645   7.579   8.216
  275   2HB   LEU  38          2HB       LEU  38  10.709   7.161   9.637
  276    HG   LEU  38           HG       LEU  38  12.771   9.366   9.544
  277   1HD1  LEU  38          1HD1      LEU  38  10.831   9.848   8.115
  278   2HD1  LEU  38          2HD1      LEU  38  10.887  10.895   9.533
  279   3HD1  LEU  38          3HD1      LEU  38   9.761   9.540   9.484
  280   1HD2  LEU  38          1HD2      LEU  38  10.719   8.611  11.620
  281   2HD2  LEU  38          2HD2      LEU  38  11.782  10.016  11.683
  282   3HD2  LEU  38          3HD2      LEU  38  12.464   8.391  11.758
  283    H    ARG  39           H        ARG  39  11.658   5.025  11.408
  284    HA   ARG  39           HA       ARG  39  11.821   2.630   9.820
  285   1HB   ARG  39          1HB       ARG  39  10.492   1.616  11.696
  286   2HB   ARG  39          2HB       ARG  39  12.029   2.314  12.175
  287   1HG   ARG  39          1HG       ARG  39  10.930   4.248  13.076
  288   2HG   ARG  39          2HG       ARG  39   9.374   3.698  12.453
  289   1HD   ARG  39          1HD       ARG  39  11.016   2.129  14.429
  290   2HD   ARG  39          2HD       ARG  39   9.774   3.284  14.907
  291    HE   ARG  39           HE       ARG  39   8.400   1.715  13.251
  292   1HH1  ARG  39          1HH1      ARG  39  10.630   0.845  15.816
  293   2HH1  ARG  39          2HH1      ARG  39   9.771  -0.606  16.233
  294   1HH2  ARG  39          1HH2      ARG  39   7.286  -0.170  13.785
  295   2HH2  ARG  39          2HH2      ARG  39   7.853  -1.185  15.089
  296    H    SER  40           H        SER  40  10.281   1.706   8.640
  297    HA   SER  40           HA       SER  40   8.003   3.320   7.943
  298   1HB   SER  40          1HB       SER  40   7.647   1.343   6.317
  299   2HB   SER  40          2HB       SER  40   9.090   2.336   6.104
  300    HG   SER  40           HG       SER  40   8.861  -0.307   6.881
  301    H    SER  41           H        SER  41   5.832   2.571   7.887
  302    HA   SER  41           HA       SER  41   5.135   0.861  10.122
  303   1HB   SER  41          1HB       SER  41   3.938   3.030   9.634
  304   2HB   SER  41          2HB       SER  41   3.305   2.285   8.168
  305    HG   SER  41           HG       SER  41   1.748   1.806   9.531
  306    H    ALA  42           H        ALA  42   5.549  -1.214   9.602
  307    HA   ALA  42           HA       ALA  42   5.513  -2.322   7.043
  308   1HB   ALA  42          1HB       ALA  42   6.762  -3.264   8.924
  309   2HB   ALA  42          2HB       ALA  42   5.726  -4.468   8.155
  310   3HB   ALA  42          3HB       ALA  42   5.243  -3.739   9.686
  311    H    LEU  43           H        LEU  43   3.813  -2.574   5.778
  312    HA   LEU  43           HA       LEU  43   1.334  -3.604   6.977
  313   1HB   LEU  43          1HB       LEU  43   1.141  -1.396   5.847
  314   2HB   LEU  43          2HB       LEU  43   1.670  -2.144   4.353
  315    HG   LEU  43           HG       LEU  43  -0.335  -3.594   4.391
  316   1HD1  LEU  43          1HD1      LEU  43  -1.107  -1.926   6.780
  317   2HD1  LEU  43          2HD1      LEU  43  -0.727  -3.649   6.783
  318   3HD1  LEU  43          3HD1      LEU  43  -2.159  -3.063   5.938
  319   1HD2  LEU  43          1HD2      LEU  43  -1.940  -1.866   3.796
  320   2HD2  LEU  43          2HD2      LEU  43  -0.344  -1.492   3.143
  321   3HD2  LEU  43          3HD2      LEU  43  -0.932  -0.644   4.575
  322    H    LYS  44           H        LYS  44   2.196  -5.725   6.932
  323    HA   LYS  44           HA       LYS  44   2.489  -6.858   4.253
  324   1HB   LYS  44          1HB       LYS  44   3.325  -8.905   5.523
  325   2HB   LYS  44          2HB       LYS  44   4.360  -7.488   5.526
  326   1HG   LYS  44          1HG       LYS  44   3.570  -6.931   7.782
  327   2HG   LYS  44          2HG       LYS  44   2.562  -8.380   7.770
  328   1HD   LYS  44          1HD       LYS  44   4.529  -9.783   7.532
  329   2HD   LYS  44          2HD       LYS  44   5.562  -8.356   7.450
  330   1HE   LYS  44          1HE       LYS  44   4.928  -7.752   9.722
  331   2HE   LYS  44          2HE       LYS  44   3.857  -9.151   9.806
  332   1HZ   LYS  44          1HZ       LYS  44   5.967  -9.584  10.895
  333   2HZ   LYS  44          2HZ       LYS  44   6.809  -9.250   9.459
  334   3HZ   LYS  44          3HZ       LYS  44   5.778 -10.592   9.544
  335    H    GLY  45           H        GLY  45   0.641  -7.408   3.443
  336   1HA   GLY  45          1HA       GLY  45  -1.046  -9.392   4.409
  337   2HA   GLY  45          2HA       GLY  45  -1.710  -7.845   4.932
  338    H    ARG  46           H        ARG  46  -3.534  -8.420   3.513
  339    HA   ARG  46           HA       ARG  46  -2.904  -8.192   0.662
  340   1HB   ARG  46          1HB       ARG  46  -4.254 -10.111   1.137
  341   2HB   ARG  46          2HB       ARG  46  -5.383  -9.152   2.084
  342   1HG   ARG  46          1HG       ARG  46  -6.305  -8.141   0.188
  343   2HG   ARG  46          2HG       ARG  46  -4.942  -8.609  -0.831
  344   1HD   ARG  46          1HD       ARG  46  -6.825 -10.589   0.437
  345   2HD   ARG  46          2HD       ARG  46  -7.057  -9.925  -1.181
  346    HE   ARG  46           HE       ARG  46  -4.942 -10.954  -1.814
  347   1HH1  ARG  46          1HH1      ARG  46  -6.426 -12.057   1.171
  348   2HH1  ARG  46          2HH1      ARG  46  -5.593 -13.581   1.164
  349   1HH2  ARG  46          1HH2      ARG  46  -3.852 -12.963  -1.821
  350   2HH2  ARG  46          2HH2      ARG  46  -4.147 -14.103  -0.542
  351    H    HIS  47           H        HIS  47  -2.903  -6.218  -0.082
  352    HA   HIS  47           HA       HIS  47  -5.237  -4.554   0.229
  353   1HB   HIS  47          1HB       HIS  47  -2.678  -3.906   1.577
  354   2HB   HIS  47          2HB       HIS  47  -3.461  -2.588   0.715
  355    HD1  HIS  47           HD1      HIS  47  -6.187  -2.419   1.409
  356    HD2  HIS  47           HD2      HIS  47  -3.523  -4.090   4.134
  357    HE1  HIS  47           HE1      HIS  47  -7.307  -2.237   3.655
  358    HE2  HIS  47           HE2      HIS  47  -5.597  -3.072   5.309
  359    H    ASP  48           H        ASP  48  -5.182  -2.686  -1.176
  360    HA   ASP  48           HA       ASP  48  -3.922  -3.251  -3.701
  361   1HB   ASP  48          1HB       ASP  48  -5.965  -2.370  -4.165
  362   2HB   ASP  48          2HB       ASP  48  -6.021  -1.441  -2.673
  363    H    LEU  49           H        LEU  49  -2.673  -1.578  -4.896
  364    HA   LEU  49           HA       LEU  49  -0.330  -1.035  -3.474
  365   1HB   LEU  49          1HB       LEU  49  -0.805  -1.296  -6.023
  366   2HB   LEU  49          2HB       LEU  49  -1.067   0.434  -5.982
  367    HG   LEU  49           HG       LEU  49   1.221  -0.265  -6.722
  368   1HD1  LEU  49          1HD1      LEU  49   0.825   1.969  -5.862
  369   2HD1  LEU  49          2HD1      LEU  49   2.427   1.379  -5.417
  370   3HD1  LEU  49          3HD1      LEU  49   1.130   1.392  -4.222
  371   1HD2  LEU  49          1HD2      LEU  49   2.810  -0.994  -5.001
  372   2HD2  LEU  49          2HD2      LEU  49   1.524  -2.172  -5.265
  373   3HD2  LEU  49          3HD2      LEU  49   1.481  -1.122  -3.849
  374    H    GLN  50           H        GLN  50  -2.705   1.314  -4.766
  375    HA   GLN  50           HA       GLN  50  -1.532   3.604  -3.650
  376   1HB   GLN  50          1HB       GLN  50  -3.183   3.754  -5.431
  377   2HB   GLN  50          2HB       GLN  50  -4.419   3.072  -4.385
  378   1HG   GLN  50          1HG       GLN  50  -4.292   5.031  -2.941
  379   2HG   GLN  50          2HG       GLN  50  -3.035   5.712  -3.970
  380   1HE2  GLN  50          1HE2      GLN  50  -4.304   4.777  -6.424
  381   2HE2  GLN  50          2HE2      GLN  50  -5.656   5.822  -6.687
  382    H    SER  51           H        SER  51  -4.033   1.451  -2.418
  383    HA   SER  51           HA       SER  51  -4.646   2.894  -0.088
  384   1HB   SER  51          1HB       SER  51  -4.756  -0.104  -0.437
  385   2HB   SER  51          2HB       SER  51  -5.699   0.874   0.692
  386    HG   SER  51           HG       SER  51  -5.841   0.902  -2.152
  387    H    SER  52           H        SER  52  -2.308   0.281  -0.657
  388    HA   SER  52           HA       SER  52  -1.379   0.060   1.987
  389   1HB   SER  52          1HB       SER  52   0.127  -0.484  -0.585
  390   2HB   SER  52          2HB       SER  52   0.544  -1.106   1.013
  391    HG   SER  52           HG       SER  52  -1.603  -1.786  -0.671
  392    H    LEU  53           H        LEU  53  -0.267   2.035  -0.738
  393    HA   LEU  53           HA       LEU  53   1.969   3.201   0.458
  394   1HB   LEU  53          1HB       LEU  53   0.023   4.394  -1.520
  395   2HB   LEU  53          2HB       LEU  53   1.566   5.108  -1.099
  396    HG   LEU  53           HG       LEU  53   1.215   2.413  -2.410
  397   1HD1  LEU  53          1HD1      LEU  53   0.554   4.243  -3.882
  398   2HD1  LEU  53          2HD1      LEU  53   2.063   3.501  -4.417
  399   3HD1  LEU  53          3HD1      LEU  53   2.090   5.053  -3.571
  400   1HD2  LEU  53          1HD2      LEU  53   3.626   2.541  -2.767
  401   2HD2  LEU  53          2HD2      LEU  53   3.235   2.567  -1.048
  402   3HD2  LEU  53          3HD2      LEU  53   3.684   4.061  -1.871
  403    H    ARG  54           H        ARG  54  -1.418   4.186   0.501
  404    HA   ARG  54           HA       ARG  54  -1.085   6.607   1.874
  405   1HB   ARG  54          1HB       ARG  54  -3.106   5.980   0.617
  406   2HB   ARG  54          2HB       ARG  54  -3.476   4.761   1.826
  407   1HG   ARG  54          1HG       ARG  54  -3.839   6.448   3.497
  408   2HG   ARG  54          2HG       ARG  54  -3.300   7.713   2.389
  409   1HD   ARG  54          1HD       ARG  54  -5.746   7.621   2.547
  410   2HD   ARG  54          2HD       ARG  54  -5.180   7.251   0.919
  411    HE   ARG  54           HE       ARG  54  -6.051   5.199   2.855
  412   1HH1  ARG  54          1HH1      ARG  54  -5.865   6.476  -0.404
  413   2HH1  ARG  54          2HH1      ARG  54  -6.715   5.133  -1.117
  414   1HH2  ARG  54          1HH2      ARG  54  -7.180   3.440   1.928
  415   2HH2  ARG  54          2HH2      ARG  54  -7.474   3.423   0.212
  416    H    ILE  55           H        ILE  55  -1.787   3.336   3.063
  417    HA   ILE  55           HA       ILE  55  -2.079   4.099   5.778
  418    HB   ILE  55           HB       ILE  55  -1.383   1.397   4.612
  419   1HG1  ILE  55          1HG1      ILE  55  -4.046   2.536   5.501
  420   2HG1  ILE  55          2HG1      ILE  55  -3.533   2.352   3.828
  421   1HG2  ILE  55          1HG2      ILE  55  -0.780   1.547   6.974
  422   2HG2  ILE  55          2HG2      ILE  55  -2.159   0.474   6.734
  423   3HG2  ILE  55          3HG2      ILE  55  -2.408   2.105   7.361
  424   1HD1  ILE  55          1HD1      ILE  55  -3.972   0.127   5.803
  425   2HD1  ILE  55          2HD1      ILE  55  -3.431  -0.073   4.137
  426   3HD1  ILE  55          3HD1      ILE  55  -5.038   0.573   4.471
  427    H    LEU  56           H        LEU  56   0.667   2.892   3.908
  428    HA   LEU  56           HA       LEU  56   2.404   2.627   6.152
  429   1HB   LEU  56          1HB       LEU  56   2.581   1.389   3.973
  430   2HB   LEU  56          2HB       LEU  56   3.127   2.878   3.231
  431    HG   LEU  56           HG       LEU  56   4.625   1.700   5.555
  432   1HD1  LEU  56          1HD1      LEU  56   4.954   0.982   2.642
  433   2HD1  LEU  56          2HD1      LEU  56   4.388  -0.095   3.921
  434   3HD1  LEU  56          3HD1      LEU  56   6.043   0.515   3.948
  435   1HD2  LEU  56          1HD2      LEU  56   5.476   3.378   3.197
  436   2HD2  LEU  56          2HD2      LEU  56   6.509   2.849   4.526
  437   3HD2  LEU  56          3HD2      LEU  56   5.185   3.976   4.829
  438    H    LEU  57           H        LEU  57   1.867   5.118   3.715
  439    HA   LEU  57           HA       LEU  57   4.121   6.703   4.431
  440   1HB   LEU  57          1HB       LEU  57   2.931   6.616   2.203
  441   2HB   LEU  57          2HB       LEU  57   1.635   7.531   2.933
  442    HG   LEU  57           HG       LEU  57   3.208   8.849   1.508
  443   1HD1  LEU  57          1HD1      LEU  57   3.384  10.746   3.030
  444   2HD1  LEU  57          2HD1      LEU  57   3.028   9.683   4.393
  445   3HD1  LEU  57          3HD1      LEU  57   1.810   9.958   3.148
  446   1HD2  LEU  57          1HD2      LEU  57   5.384   9.449   2.413
  447   2HD2  LEU  57          2HD2      LEU  57   5.272   7.713   2.126
  448   3HD2  LEU  57          3HD2      LEU  57   5.136   8.347   3.766
  449    H    GLN  58           H        GLN  58   0.650   6.869   5.139
  450    HA   GLN  58           HA       GLN  58   0.397   9.304   6.334
  451   1HB   GLN  58          1HB       GLN  58  -1.419   7.639   5.928
  452   2HB   GLN  58          2HB       GLN  58  -0.885   6.772   7.361
  453   1HG   GLN  58          1HG       GLN  58  -1.412   8.677   8.753
  454   2HG   GLN  58          2HG       GLN  58  -1.869   9.616   7.331
  455   1HE2  GLN  58          1HE2      GLN  58  -2.595   6.231   7.710
  456   2HE2  GLN  58          2HE2      GLN  58  -4.309   6.412   7.878
  457    H    GLY  59           H        GLY  59   1.562  10.255   7.833
  458   1HA   GLY  59          1HA       GLY  59   1.924  10.148  10.336
  459   2HA   GLY  59          2HA       GLY  59   2.713   8.614   9.995
  460    H    THR  60           H        THR  60   3.622  10.081   7.391
  461    HA   THR  60           HA       THR  60   5.993  11.289   8.636
  462    HB   THR  60           HB       THR  60   7.052  10.937   6.378
  463    HG1  THR  60           HG1      THR  60   4.881   9.179   5.870
  464   1HG2  THR  60          1HG2      THR  60   7.345   8.508   6.674
  465   2HG2  THR  60          2HG2      THR  60   5.997   8.494   7.808
  466   3HG2  THR  60          3HG2      THR  60   7.469   9.378   8.205
  467    H    GLY  61           H        GLY  61   3.177  12.396   7.527
  468   1HA   GLY  61          1HA       GLY  61   2.403  14.301   6.526
  469   2HA   GLY  61          2HA       GLY  61   3.912  15.012   7.064
  470    H    LEU  62           H        LEU  62   3.928  12.393   4.745
  471    HA   LEU  62           HA       LEU  62   4.988  14.274   2.769
  472   1HB   LEU  62          1HB       LEU  62   5.146  11.260   2.831
  473   2HB   LEU  62          2HB       LEU  62   5.947  12.308   1.678
  474    HG   LEU  62           HG       LEU  62   6.521  12.191   4.640
  475   1HD1  LEU  62          1HD1      LEU  62   8.119  11.234   2.271
  476   2HD1  LEU  62          2HD1      LEU  62   7.295  10.214   3.450
  477   3HD1  LEU  62          3HD1      LEU  62   8.654  11.223   3.950
  478   1HD2  LEU  62          1HD2      LEU  62   6.853  14.430   3.718
  479   2HD2  LEU  62          2HD2      LEU  62   7.871  13.758   2.445
  480   3HD2  LEU  62          3HD2      LEU  62   8.390  13.673   4.129
  481    H    ARG  63           H        ARG  63   4.492  13.657   0.433
  482    HA   ARG  63           HA       ARG  63   1.704  12.724   0.200
  483   1HB   ARG  63          1HB       ARG  63   3.065  15.071  -1.054
  484   2HB   ARG  63          2HB       ARG  63   1.827  14.230  -1.972
  485   1HG   ARG  63          1HG       ARG  63   0.824  16.089  -0.867
  486   2HG   ARG  63          2HG       ARG  63   0.248  14.611  -0.099
  487   1HD   ARG  63          1HD       ARG  63   1.849  14.927   1.715
  488   2HD   ARG  63          2HD       ARG  63   2.441  16.399   0.947
  489    HE   ARG  63           HE       ARG  63  -0.351  16.596   1.333
  490   1HH1  ARG  63          1HH1      ARG  63   2.616  16.540   3.193
  491   2HH1  ARG  63          2HH1      ARG  63   2.005  17.560   4.454
  492   1HH2  ARG  63          1HH2      ARG  63  -1.182  17.908   2.999
  493   2HH2  ARG  63          2HH2      ARG  63  -0.162  18.349   4.345
  494    H    TYR  64           H        TYR  64   1.428  11.031  -1.074
  495    HA   TYR  64           HA       TYR  64   3.710  10.162  -2.698
  496   1HB   TYR  64          1HB       TYR  64   2.800   7.921  -2.622
  497   2HB   TYR  64          2HB       TYR  64   2.888   8.564  -0.989
  498    HD1  TYR  64           HD1      TYR  64   0.737   9.395   0.093
  499    HD2  TYR  64           HD2      TYR  64   0.783   7.137  -3.512
  500    HE1  TYR  64           HE1      TYR  64  -1.628   8.810   0.433
  501    HE2  TYR  64           HE2      TYR  64  -1.580   6.548  -3.184
  502    HH   TYR  64           HH       TYR  64  -3.186   6.369  -1.362
  503    H    GLN  65           H        GLN  65   3.654  10.335  -4.802
  504    HA   GLN  65           HA       GLN  65   1.085  10.735  -6.161
  505   1HB   GLN  65          1HB       GLN  65   3.926  11.137  -7.123
  506   2HB   GLN  65          2HB       GLN  65   2.489  11.439  -8.087
  507   1HG   GLN  65          1HG       GLN  65   1.815  13.216  -6.616
  508   2HG   GLN  65          2HG       GLN  65   3.146  12.855  -5.513
  509   1HE2  GLN  65          1HE2      GLN  65   5.236  13.407  -6.098
  510   2HE2  GLN  65          2HE2      GLN  65   5.580  14.529  -7.370
  511    H    ILE  66           H        ILE  66   0.187   8.876  -6.842
  512    HA   ILE  66           HA       ILE  66   1.982   6.770  -7.832
  513    HB   ILE  66           HB       ILE  66   0.622   5.901  -6.082
  514   1HG1  ILE  66          1HG1      ILE  66  -0.555   5.050  -8.739
  515   2HG1  ILE  66          2HG1      ILE  66   0.939   4.440  -8.040
  516   1HG2  ILE  66          1HG2      ILE  66  -1.756   7.031  -7.549
  517   2HG2  ILE  66          2HG2      ILE  66  -1.114   7.566  -5.995
  518   3HG2  ILE  66          3HG2      ILE  66  -1.846   5.968  -6.144
  519   1HD1  ILE  66          1HD1      ILE  66  -0.327   3.507  -6.173
  520   2HD1  ILE  66          2HD1      ILE  66  -0.870   2.871  -7.727
  521   3HD1  ILE  66          3HD1      ILE  66  -1.820   4.105  -6.896
  522    H    ASP  67           H        ASP  67   2.222   6.695  -9.929
  523    HA   ASP  67           HA       ASP  67  -0.090   7.214 -11.670
  524   1HB   ASP  67          1HB       ASP  67   1.305   9.260 -11.584
  525   2HB   ASP  67          2HB       ASP  67   2.696   8.320 -12.117
  526    H    GLY  68           H        GLY  68  -0.400   5.181 -12.411
  527   1HA   GLY  68          1HA       GLY  68  -0.017   3.223 -13.545
  528   2HA   GLY  68          2HA       GLY  68   1.307   4.067 -14.331
  529    H    ASN  69           H        ASN  69   3.336   3.491 -13.875
  530    HA   ASN  69           HA       ASN  69   3.726   1.496 -11.740
  531   1HB   ASN  69          1HB       ASN  69   5.335   2.041 -14.244
  532   2HB   ASN  69          2HB       ASN  69   5.846   0.936 -12.976
  533   1HD2  ASN  69          1HD2      ASN  69   4.804  -1.035 -12.743
  534   2HD2  ASN  69          2HD2      ASN  69   3.757  -1.672 -13.966
  535    H    THR  70           H        THR  70   3.896   4.649 -11.994
  536    HA   THR  70           HA       THR  70   6.559   4.917 -10.767
  537    HB   THR  70           HB       THR  70   4.855   7.114 -11.960
  538    HG1  THR  70           HG1      THR  70   6.657   5.306 -13.096
  539   1HG2  THR  70          1HG2      THR  70   7.780   7.034 -11.194
  540   2HG2  THR  70          2HG2      THR  70   6.506   7.866 -10.305
  541   3HG2  THR  70          3HG2      THR  70   6.937   8.402 -11.928
  542    H    VAL  71           H        VAL  71   6.654   5.301  -8.673
  543    HA   VAL  71           HA       VAL  71   4.396   6.676  -7.372
  544    HB   VAL  71           HB       VAL  71   6.228   4.616  -6.119
  545   1HG1  VAL  71          1HG1      VAL  71   4.704   4.775  -4.193
  546   2HG1  VAL  71          2HG1      VAL  71   3.860   6.102  -4.991
  547   3HG1  VAL  71          3HG1      VAL  71   5.549   6.289  -4.511
  548   1HG2  VAL  71          1HG2      VAL  71   4.199   3.216  -5.966
  549   2HG2  VAL  71          2HG2      VAL  71   4.673   3.545  -7.633
  550   3HG2  VAL  71          3HG2      VAL  71   3.323   4.421  -6.913
  551    H    THR  72           H        THR  72   5.011   8.683  -6.910
  552    HA   THR  72           HA       THR  72   7.849   9.167  -6.282
  553    HB   THR  72           HB       THR  72   5.831  11.198  -7.260
  554    HG1  THR  72           HG1      THR  72   7.891  10.105  -8.877
  555   1HG2  THR  72          1HG2      THR  72   7.746  12.134  -6.060
  556   2HG2  THR  72          2HG2      THR  72   7.821  12.532  -7.777
  557   3HG2  THR  72          3HG2      THR  72   8.849  11.258  -7.120
  558    H    VAL  73           H        VAL  73   8.167   9.380  -4.164
  559    HA   VAL  73           HA       VAL  73   6.026  10.426  -2.470
  560    HB   VAL  73           HB       VAL  73   8.719   9.319  -1.647
  561   1HG1  VAL  73          1HG1      VAL  73   7.657   9.084   0.560
  562   2HG1  VAL  73          2HG1      VAL  73   6.210   9.873  -0.067
  563   3HG1  VAL  73          3HG1      VAL  73   7.727  10.766   0.033
  564   1HG2  VAL  73          1HG2      VAL  73   7.501   7.263  -1.076
  565   2HG2  VAL  73          2HG2      VAL  73   7.426   7.614  -2.803
  566   3HG2  VAL  73          3HG2      VAL  73   6.034   7.951  -1.775
  567    H    THR  74           H        THR  74   5.959  12.587  -2.477
  568    HA   THR  74           HA       THR  74   8.505  14.052  -2.273
  569    HB   THR  74           HB       THR  74   7.304  14.565  -4.349
  570    HG1  THR  74           HG1      THR  74   7.414  16.790  -4.113
  571   1HG2  THR  74          1HG2      THR  74   5.022  14.093  -3.613
  572   2HG2  THR  74          2HG2      THR  74   5.135  15.717  -4.294
  573   3HG2  THR  74          3HG2      THR  74   5.064  15.495  -2.545
  574    H    ALA  75           H        ALA  75   8.505  15.955  -0.925
  575    HA   ALA  75           HA       ALA  75   6.689  15.692   1.340
  576   1HB   ALA  75          1HB       ALA  75   9.073  15.528   1.850
  577   2HB   ALA  75          2HB       ALA  75   8.353  16.947   2.611
  578   3HB   ALA  75          3HB       ALA  75   9.331  17.128   1.153
  579    H    SER  76           H        SER  76   4.961  16.972   1.116
  580    HA   SER  76           HA       SER  76   5.305  19.626  -0.083
  581   1HB   SER  76          1HB       SER  76   2.738  18.138   0.528
  582   2HB   SER  76          2HB       SER  76   2.897  19.621  -0.412
  583    HG   SER  76           HG       SER  76   4.184  18.406  -1.908
  584    H    ALA  77           H        ALA  77   5.896  21.033   1.459
  585    HA   ALA  77           HA       ALA  77   4.898  20.821   4.166
  586   1HB   ALA  77          1HB       ALA  77   6.333  22.748   4.617
  587   2HB   ALA  77          2HB       ALA  77   6.662  22.912   2.892
  588   3HB   ALA  77          3HB       ALA  77   7.213  21.482   3.763
  589    H    ALA  78           H        ALA  78   2.700  21.092   2.734
  590    HA   ALA  78           HA       ALA  78   1.793  23.794   3.396
  591   1HB   ALA  78          1HB       ALA  78   0.582  23.996   1.280
  592   2HB   ALA  78          2HB       ALA  78   1.271  22.467   0.735
  593   3HB   ALA  78          3HB       ALA  78   2.319  23.859   1.010
  594    H    ALA  79           H        ALA  79   0.067  23.632   4.658
  595    HA   ALA  79           HA       ALA  79  -1.431  21.185   4.875
  596   1HB   ALA  79          1HB       ALA  79  -1.943  23.882   6.130
  597   2HB   ALA  79          2HB       ALA  79  -0.981  22.584   6.838
  598   3HB   ALA  79          3HB       ALA  79  -2.713  22.362   6.584
  599    H    LYS  80           H        LYS  80  -1.807  21.484   2.427
  600    HA   LYS  80           HA       LYS  80  -4.551  22.295   2.039
  601   1HB   LYS  80          1HB       LYS  80  -3.113  24.382   1.702
  602   2HB   LYS  80          2HB       LYS  80  -2.422  23.565   0.310
  603   1HG   LYS  80          1HG       LYS  80  -4.803  23.353  -0.554
  604   2HG   LYS  80          2HG       LYS  80  -5.241  24.505   0.708
  605   1HD   LYS  80          1HD       LYS  80  -3.464  26.028  -0.218
  606   2HD   LYS  80          2HD       LYS  80  -3.327  24.917  -1.580
  607   1HE   LYS  80          1HE       LYS  80  -4.777  26.672  -2.254
  608   2HE   LYS  80          2HE       LYS  80  -5.782  25.251  -1.973
  609   1HZ   LYS  80          1HZ       LYS  80  -5.377  27.394   0.041
  610   2HZ   LYS  80          2HZ       LYS  80  -6.518  26.136   0.091
  611   3HZ   LYS  80          3HZ       LYS  80  -6.670  27.376  -1.052
  612    H    ASP  81           H        ASP  81  -4.657  20.003   1.653
  613    HA   ASP  81           HA       ASP  81  -3.085  18.926  -0.547
  614   1HB   ASP  81          1HB       ASP  81  -5.000  17.687   1.420
  615   2HB   ASP  81          2HB       ASP  81  -4.379  16.793   0.038
  616    H    GLY  82           H        GLY  82  -3.906  18.120  -2.450
  617   1HA   GLY  82          1HA       GLY  82  -6.746  18.352  -3.006
  618   2HA   GLY  82          2HA       GLY  82  -5.700  19.437  -3.913
  Start of MODEL    2
    1   1H    SER   1          1H        SER   1  -9.264  -4.924  -2.462
    2   2H    SER   1          2H        SER   1  -9.317  -6.619  -2.361
    3   3H    SER   1          3H        SER   1 -10.673  -5.701  -1.942
    4    HA   SER   1           HA       SER   1 -10.913  -6.744  -4.113
    5   1HB   SER   1          1HB       SER   1 -10.694  -3.724  -4.223
    6   2HB   SER   1          2HB       SER   1 -11.732  -4.744  -5.219
    7    HG   SER   1           HG       SER   1 -13.099  -4.979  -3.603
    8    H    GLN   2           H        GLN   2  -9.441  -7.774  -5.340
    9    HA   GLN   2           HA       GLN   2  -7.678  -8.196  -6.709
   10   1HB   GLN   2          1HB       GLN   2  -8.885  -6.619  -8.178
   11   2HB   GLN   2          2HB       GLN   2  -8.002  -5.281  -7.460
   12   1HG   GLN   2          1HG       GLN   2  -5.924  -6.123  -8.350
   13   2HG   GLN   2          2HG       GLN   2  -6.741  -7.555  -8.977
   14   1HE2  GLN   2          1HE2      GLN   2  -8.015  -7.395 -10.793
   15   2HE2  GLN   2          2HE2      GLN   2  -7.984  -6.009 -11.836
   16    H    GLU   3           H        GLU   3  -6.318  -8.570  -4.930
   17    HA   GLU   3           HA       GLU   3  -4.469  -6.378  -4.277
   18   1HB   GLU   3          1HB       GLU   3  -5.837  -8.216  -2.299
   19   2HB   GLU   3          2HB       GLU   3  -4.582  -7.049  -1.897
   20   1HG   GLU   3          1HG       GLU   3  -5.992  -5.219  -2.576
   21   2HG   GLU   3          2HG       GLU   3  -7.233  -6.337  -3.130
   22    H    TRP   4           H        TRP   4  -2.728  -7.453  -2.681
   23    HA   TRP   4           HA       TRP   4  -1.791  -9.930  -3.940
   24   1HB   TRP   4          1HB       TRP   4  -0.186  -7.373  -3.681
   25   2HB   TRP   4          2HB       TRP   4   0.503  -8.934  -4.108
   26    HD1  TRP   4           HD1      TRP   4  -0.245  -9.957  -6.540
   27    HE1  TRP   4           HE1      TRP   4  -0.920  -8.744  -8.708
   28    HE3  TRP   4           HE3      TRP   4  -1.320  -5.349  -4.586
   29    HZ2  TRP   4           HZ2      TRP   4  -1.801  -6.177  -9.485
   30    HZ3  TRP   4           HZ3      TRP   4  -2.071  -3.568  -6.113
   31    HH2  TRP   4           HH2      TRP   4  -2.304  -3.975  -8.512
   32    H    THR   5           H        THR   5   0.046 -10.885  -2.733
   33    HA   THR   5           HA       THR   5  -0.314 -10.501   0.140
   34    HB   THR   5           HB       THR   5   1.489 -12.517  -1.215
   35    HG1  THR   5           HG1      THR   5  -0.232 -13.894  -1.338
   36   1HG2  THR   5          1HG2      THR   5   1.847 -12.238   1.178
   37   2HG2  THR   5          2HG2      THR   5   1.096 -13.801   0.857
   38   3HG2  THR   5          3HG2      THR   5   0.126 -12.468   1.482
   39    H    LEU   6           H        LEU   6   0.791  -8.721   0.773
   40    HA   LEU   6           HA       LEU   6   3.486  -8.316  -0.332
   41   1HB   LEU   6          1HB       LEU   6   1.637  -6.306   0.953
   42   2HB   LEU   6          2HB       LEU   6   3.197  -5.958   0.233
   43    HG   LEU   6           HG       LEU   6   0.757  -6.948  -1.249
   44   1HD1  LEU   6          1HD1      LEU   6   0.783  -4.723  -2.277
   45   2HD1  LEU   6          2HD1      LEU   6   2.100  -4.249  -1.204
   46   3HD1  LEU   6          3HD1      LEU   6   0.516  -4.644  -0.537
   47   1HD2  LEU   6          1HD2      LEU   6   2.825  -7.771  -2.249
   48   2HD2  LEU   6          2HD2      LEU   6   3.471  -6.131  -2.281
   49   3HD2  LEU   6          3HD2      LEU   6   2.070  -6.545  -3.269
   50    H    ASP   7           H        ASP   7   5.170  -7.648   1.022
   51    HA   ASP   7           HA       ASP   7   4.736  -7.968   3.912
   52   1HB   ASP   7          1HB       ASP   7   5.720 -10.041   2.931
   53   2HB   ASP   7          2HB       ASP   7   7.081  -9.087   2.353
   54    H    ILE   8           H        ILE   8   5.070  -5.948   4.636
   55    HA   ILE   8           HA       ILE   8   7.293  -4.403   3.503
   56    HB   ILE   8           HB       ILE   8   4.695  -3.592   4.758
   57   1HG1  ILE   8          1HG1      ILE   8   4.734  -1.967   2.837
   58   2HG1  ILE   8          2HG1      ILE   8   6.225  -2.724   2.299
   59   1HG2  ILE   8          1HG2      ILE   8   5.475  -1.289   5.008
   60   2HG2  ILE   8          2HG2      ILE   8   7.110  -1.797   4.589
   61   3HG2  ILE   8          3HG2      ILE   8   6.355  -2.389   6.068
   62   1HD1  ILE   8          1HD1      ILE   8   3.542  -4.064   2.528
   63   2HD1  ILE   8          2HD1      ILE   8   5.037  -4.837   1.999
   64   3HD1  ILE   8          3HD1      ILE   8   4.328  -3.538   1.041
   65    HA   PRO   9           HA       PRO   9   9.521  -5.281   7.280
   66   1HB   PRO   9          1HB       PRO   9  11.234  -3.110   6.190
   67   2HB   PRO   9          2HB       PRO   9  11.675  -4.754   6.679
   68   1HG   PRO   9          1HG       PRO   9  11.563  -4.104   4.109
   69   2HG   PRO   9          2HG       PRO   9  10.956  -5.676   4.665
   70   1HD   PRO   9          1HD       PRO   9   9.425  -3.197   3.964
   71   2HD   PRO   9          2HD       PRO   9   9.078  -4.889   3.548
   72    H    ALA  10           H        ALA  10   9.800  -4.321   9.251
   73    HA   ALA  10           HA       ALA  10   8.667  -1.631   9.619
   74   1HB   ALA  10          1HB       ALA  10   8.589  -2.186  11.997
   75   2HB   ALA  10          2HB       ALA  10   9.387  -3.725  11.677
   76   3HB   ALA  10          3HB       ALA  10   7.770  -3.423  11.041
   77    H    GLN  11           H        GLN  11  11.215  -2.107   8.413
   78    HA   GLN  11           HA       GLN  11  13.147  -1.110  10.376
   79   1HB   GLN  11          1HB       GLN  11  13.593  -1.914   7.493
   80   2HB   GLN  11          2HB       GLN  11  14.826  -1.635   8.714
   81   1HG   GLN  11          1HG       GLN  11  14.109  -3.584   9.938
   82   2HG   GLN  11          2HG       GLN  11  12.781  -3.838   8.806
   83   1HE2  GLN  11          1HE2      GLN  11  14.494  -3.053   6.523
   84   2HE2  GLN  11          2HE2      GLN  11  15.507  -4.416   6.225
   85    H    SER  12           H        SER  12  14.728   0.181   8.255
   86    HA   SER  12           HA       SER  12  13.672   2.770   8.215
   87   1HB   SER  12          1HB       SER  12  16.038   2.303   7.738
   88   2HB   SER  12          2HB       SER  12  15.586   1.476   6.249
   89    HG   SER  12           HG       SER  12  16.214   3.935   6.399
   90    H    MET  13           H        MET  13  12.304   3.826   6.892
   91    HA   MET  13           HA       MET  13  10.374   2.608   5.338
   92   1HB   MET  13          1HB       MET  13  10.253   4.938   6.144
   93   2HB   MET  13          2HB       MET  13  11.507   5.395   5.003
   94   1HG   MET  13          1HG       MET  13   9.445   6.085   4.092
   95   2HG   MET  13          2HG       MET  13   9.972   4.682   3.166
   96   1HE   MET  13          1HE       MET  13   8.287   4.885   6.741
   97   2HE   MET  13          2HE       MET  13   6.594   4.644   6.307
   98   3HE   MET  13          3HE       MET  13   7.440   6.097   5.779
   99    H    ASN  14           H        ASN  14  13.615   3.476   4.513
  100    HA   ASN  14           HA       ASN  14  13.594   3.413   1.737
  101   1HB   ASN  14          1HB       ASN  14  15.554   4.067   3.010
  102   2HB   ASN  14          2HB       ASN  14  15.701   2.453   3.690
  103   1HD2  ASN  14          1HD2      ASN  14  17.788   2.228   2.937
  104   2HD2  ASN  14          2HD2      ASN  14  18.148   1.969   1.262
  105    H    SER  15           H        SER  15  13.649   0.739   4.062
  106    HA   SER  15           HA       SER  15  14.086  -1.288   2.080
  107   1HB   SER  15          1HB       SER  15  12.999  -1.634   4.887
  108   2HB   SER  15          2HB       SER  15  13.793  -2.852   3.891
  109    HG   SER  15           HG       SER  15  15.676  -1.398   3.972
  110    H    ALA  16           H        ALA  16  11.312  -0.018   3.857
  111    HA   ALA  16           HA       ALA  16   9.390  -1.874   3.036
  112   1HB   ALA  16          1HB       ALA  16   8.989   1.040   3.694
  113   2HB   ALA  16          2HB       ALA  16   9.056  -0.281   4.863
  114   3HB   ALA  16          3HB       ALA  16   7.743  -0.208   3.685
  115    H    LEU  17           H        LEU  17  10.280   1.253   1.585
  116    HA   LEU  17           HA       LEU  17   8.362   1.120  -0.490
  117   1HB   LEU  17          1HB       LEU  17  10.945   2.673  -0.324
  118   2HB   LEU  17          2HB       LEU  17   9.690   2.934  -1.523
  119    HG   LEU  17           HG       LEU  17   9.362   3.305   1.458
  120   1HD1  LEU  17          1HD1      LEU  17  10.806   4.998   0.466
  121   2HD1  LEU  17          2HD1      LEU  17   9.254   5.683   0.948
  122   3HD1  LEU  17          3HD1      LEU  17   9.580   5.343  -0.752
  123   1HD2  LEU  17          1HD2      LEU  17   7.473   3.895  -0.819
  124   2HD2  LEU  17          2HD2      LEU  17   7.207   4.302   0.876
  125   3HD2  LEU  17          3HD2      LEU  17   7.292   2.612   0.377
  126    H    GLN  18           H        GLN  18  11.785   0.223  -0.321
  127    HA   GLN  18           HA       GLN  18  12.093  -0.538  -3.008
  128   1HB   GLN  18          1HB       GLN  18  13.958  -0.223  -1.383
  129   2HB   GLN  18          2HB       GLN  18  13.482  -1.722  -0.597
  130   1HG   GLN  18          1HG       GLN  18  13.895  -2.915  -2.726
  131   2HG   GLN  18          2HG       GLN  18  14.490  -1.405  -3.415
  132   1HE2  GLN  18          1HE2      GLN  18  16.538  -2.175  -3.771
  133   2HE2  GLN  18          2HE2      GLN  18  17.650  -2.521  -2.488
  134    H    ALA  19           H        ALA  19  10.982  -2.314  -0.175
  135    HA   ALA  19           HA       ALA  19  10.768  -4.853  -1.385
  136   1HB   ALA  19          1HB       ALA  19  10.740  -4.519   1.044
  137   2HB   ALA  19          2HB       ALA  19   9.342  -5.441   0.493
  138   3HB   ALA  19          3HB       ALA  19   9.167  -3.737   0.913
  139    H    LEU  20           H        LEU  20   8.503  -2.145  -1.117
  140    HA   LEU  20           HA       LEU  20   6.243  -3.559  -2.123
  141   1HB   LEU  20          1HB       LEU  20   6.066  -1.504  -0.767
  142   2HB   LEU  20          2HB       LEU  20   6.817  -0.592  -2.061
  143    HG   LEU  20           HG       LEU  20   4.891  -1.109  -3.523
  144   1HD1  LEU  20          1HD1      LEU  20   3.735  -2.355  -1.036
  145   2HD1  LEU  20          2HD1      LEU  20   4.197  -3.206  -2.510
  146   3HD1  LEU  20          3HD1      LEU  20   2.865  -2.053  -2.539
  147   1HD2  LEU  20          1HD2      LEU  20   4.950   0.962  -2.233
  148   2HD2  LEU  20          2HD2      LEU  20   4.159   0.149  -0.884
  149   3HD2  LEU  20          3HD2      LEU  20   3.301   0.362  -2.411
  150    H    ALA  21           H        ALA  21   8.876  -1.780  -3.495
  151    HA   ALA  21           HA       ALA  21   7.826  -1.225  -6.054
  152   1HB   ALA  21          1HB       ALA  21   9.800  -0.088  -5.184
  153   2HB   ALA  21          2HB       ALA  21  10.158  -0.875  -6.720
  154   3HB   ALA  21          3HB       ALA  21  10.699  -1.605  -5.209
  155    H    LYS  22           H        LYS  22  10.017  -3.790  -4.955
  156    HA   LYS  22           HA       LYS  22  10.080  -5.192  -7.394
  157   1HB   LYS  22          1HB       LYS  22  11.743  -5.451  -5.560
  158   2HB   LYS  22          2HB       LYS  22  10.526  -6.288  -4.608
  159   1HG   LYS  22          1HG       LYS  22  12.010  -7.888  -5.614
  160   2HG   LYS  22          2HG       LYS  22  10.406  -8.036  -6.335
  161   1HD   LYS  22          1HD       LYS  22  12.136  -8.173  -8.048
  162   2HD   LYS  22          2HD       LYS  22  11.159  -6.721  -8.268
  163   1HE   LYS  22          1HE       LYS  22  12.899  -5.392  -7.166
  164   2HE   LYS  22          2HE       LYS  22  13.873  -6.847  -6.954
  165   1HZ   LYS  22          1HZ       LYS  22  14.038  -7.075  -9.333
  166   2HZ   LYS  22          2HZ       LYS  22  14.558  -5.524  -8.885
  167   3HZ   LYS  22          3HZ       LYS  22  13.025  -5.737  -9.577
  168    H    GLN  23           H        GLN  23   8.023  -5.519  -4.540
  169    HA   GLN  23           HA       GLN  23   6.831  -7.965  -5.230
  170   1HB   GLN  23          1HB       GLN  23   5.998  -5.725  -3.420
  171   2HB   GLN  23          2HB       GLN  23   4.976  -7.134  -3.654
  172   1HG   GLN  23          1HG       GLN  23   6.658  -8.585  -2.779
  173   2HG   GLN  23          2HG       GLN  23   7.833  -7.270  -2.729
  174   1HE2  GLN  23          1HE2      GLN  23   5.926  -5.325  -1.758
  175   2HE2  GLN  23          2HE2      GLN  23   5.648  -5.700  -0.095
  176    H    THR  24           H        THR  24   5.989  -4.684  -6.200
  177    HA   THR  24           HA       THR  24   3.592  -5.790  -7.518
  178    HB   THR  24           HB       THR  24   2.725  -3.427  -7.509
  179    HG1  THR  24           HG1      THR  24   4.781  -2.966  -5.583
  180   1HG2  THR  24          1HG2      THR  24   3.324  -4.626  -4.806
  181   2HG2  THR  24          2HG2      THR  24   1.974  -5.064  -5.849
  182   3HG2  THR  24          3HG2      THR  24   2.062  -3.445  -5.156
  183    H    ASP  25           H        ASP  25   6.613  -5.036  -8.211
  184    HA   ASP  25           HA       ASP  25   7.825  -4.344  -9.991
  185   1HB   ASP  25          1HB       ASP  25   6.243  -6.093 -11.047
  186   2HB   ASP  25          2HB       ASP  25   5.388  -4.711 -11.721
  187    H    THR  26           H        THR  26   6.978  -2.315  -8.533
  188    HA   THR  26           HA       THR  26   6.105  -0.270 -10.464
  189    HB   THR  26           HB       THR  26   5.586   1.079  -8.348
  190    HG1  THR  26           HG1      THR  26   5.163  -1.274  -6.950
  191   1HG2  THR  26          1HG2      THR  26   3.830   0.147  -9.750
  192   2HG2  THR  26          2HG2      THR  26   3.397  -0.011  -8.046
  193   3HG2  THR  26          3HG2      THR  26   3.987  -1.411  -8.940
  194    H    GLN  27           H        GLN  27   7.113   1.869 -10.171
  195    HA   GLN  27           HA       GLN  27   9.919   1.566  -9.352
  196   1HB   GLN  27          1HB       GLN  27   9.480   2.277 -11.701
  197   2HB   GLN  27          2HB       GLN  27   8.678   3.716 -11.088
  198   1HG   GLN  27          1HG       GLN  27  10.708   4.520 -10.120
  199   2HG   GLN  27          2HG       GLN  27  11.540   3.013 -10.499
  200   1HE2  GLN  27          1HE2      GLN  27   9.322   4.615 -12.689
  201   2HE2  GLN  27          2HE2      GLN  27  10.521   5.068 -13.855
  202    H    LEU  28           H        LEU  28  10.573   2.521  -7.539
  203    HA   LEU  28           HA       LEU  28   8.731   4.407  -6.263
  204   1HB   LEU  28          1HB       LEU  28  10.487   2.277  -5.282
  205   2HB   LEU  28          2HB       LEU  28  10.617   3.760  -4.368
  206    HG   LEU  28           HG       LEU  28   9.019   2.289  -3.320
  207   1HD1  LEU  28          1HD1      LEU  28   7.664   4.617  -4.675
  208   2HD1  LEU  28          2HD1      LEU  28   8.586   4.673  -3.172
  209   3HD1  LEU  28          3HD1      LEU  28   7.074   3.770  -3.245
  210   1HD2  LEU  28          1HD2      LEU  28   6.958   1.626  -4.445
  211   2HD2  LEU  28          2HD2      LEU  28   8.381   0.982  -5.264
  212   3HD2  LEU  28          3HD2      LEU  28   7.531   2.374  -5.936
  213    H    LEU  29           H        LEU  29   9.245   6.463  -6.198
  214    HA   LEU  29           HA       LEU  29  12.030   7.256  -6.721
  215   1HB   LEU  29          1HB       LEU  29   9.884   7.979  -8.131
  216   2HB   LEU  29          2HB       LEU  29   9.745   9.173  -6.857
  217    HG   LEU  29           HG       LEU  29  10.887  10.076  -8.821
  218   1HD1  LEU  29          1HD1      LEU  29  11.472  10.988  -6.651
  219   2HD1  LEU  29          2HD1      LEU  29  12.876  10.965  -7.718
  220   3HD1  LEU  29          3HD1      LEU  29  12.714   9.752  -6.447
  221   1HD2  LEU  29          1HD2      LEU  29  13.106   9.251  -9.450
  222   2HD2  LEU  29          2HD2      LEU  29  11.859   8.025  -9.670
  223   3HD2  LEU  29          3HD2      LEU  29  12.944   7.939  -8.283
  224    H    TYR  30           H        TYR  30  12.973   7.418  -4.772
  225    HA   TYR  30           HA       TYR  30  11.985   9.350  -2.870
  226   1HB   TYR  30          1HB       TYR  30  11.787   7.842  -0.988
  227   2HB   TYR  30          2HB       TYR  30  10.708   7.288  -2.264
  228    HD1  TYR  30           HD1      TYR  30  11.409   5.316  -3.671
  229    HD2  TYR  30           HD2      TYR  30  13.496   6.443  -0.137
  230    HE1  TYR  30           HE1      TYR  30  12.436   3.086  -3.572
  231    HE2  TYR  30           HE2      TYR  30  14.530   4.217  -0.034
  232    HH   TYR  30           HH       TYR  30  14.216   1.993  -0.819
  233    H    SER  31           H        SER  31  13.536   9.730  -1.152
  234    HA   SER  31           HA       SER  31  16.152   8.467  -1.537
  235   1HB   SER  31          1HB       SER  31  17.233  10.687  -1.237
  236   2HB   SER  31          2HB       SER  31  16.239  10.630  -2.694
  237    HG   SER  31           HG       SER  31  15.127  12.216  -1.904
  238    HA   PRO  32           HA       PRO  32  16.006   8.026   2.921
  239   1HB   PRO  32          1HB       PRO  32  18.748   8.181   3.322
  240   2HB   PRO  32          2HB       PRO  32  17.866   6.705   2.929
  241   1HG   PRO  32          1HG       PRO  32  19.409   8.525   1.137
  242   2HG   PRO  32          2HG       PRO  32  19.306   6.754   1.120
  243   1HD   PRO  32          1HD       PRO  32  17.952   8.247  -0.648
  244   2HD   PRO  32          2HD       PRO  32  17.252   6.764   0.031
  245    H    GLU  33           H        GLU  33  17.555  10.571   1.178
  246    HA   GLU  33           HA       GLU  33  18.084  12.363   3.299
  247   1HB   GLU  33          1HB       GLU  33  19.061  12.702   1.115
  248   2HB   GLU  33          2HB       GLU  33  17.473  12.816   0.373
  249   1HG   GLU  33          1HG       GLU  33  18.318  15.010   0.513
  250   2HG   GLU  33          2HG       GLU  33  17.080  14.867   1.759
  251    H    ASP  34           H        ASP  34  15.281  11.937   1.156
  252    HA   ASP  34           HA       ASP  34  13.907  14.218   2.210
  253   1HB   ASP  34          1HB       ASP  34  13.656  13.321  -0.138
  254   2HB   ASP  34          2HB       ASP  34  12.736  11.981   0.542
  255    H    ILE  35           H        ILE  35  13.879  10.769   2.833
  256    HA   ILE  35           HA       ILE  35  11.499  11.026   4.498
  257    HB   ILE  35           HB       ILE  35  11.643   8.565   4.714
  258   1HG1  ILE  35          1HG1      ILE  35  14.005   8.847   2.839
  259   2HG1  ILE  35          2HG1      ILE  35  14.085   8.349   4.525
  260   1HG2  ILE  35          1HG2      ILE  35  11.124   8.051   2.353
  261   2HG2  ILE  35          2HG2      ILE  35  11.734   9.642   1.900
  262   3HG2  ILE  35          3HG2      ILE  35  10.313   9.504   2.935
  263   1HD1  ILE  35          1HD1      ILE  35  14.265   6.452   3.013
  264   2HD1  ILE  35          2HD1      ILE  35  12.693   6.850   2.319
  265   3HD1  ILE  35          3HD1      ILE  35  12.811   6.346   4.005
  266    H    GLY  36           H        GLY  36  14.766  11.396   4.921
  267   1HA   GLY  36          1HA       GLY  36  16.019  11.736   6.807
  268   2HA   GLY  36          2HA       GLY  36  14.520  11.678   7.719
  269    H    GLY  37           H        GLY  37  14.950   8.869   5.923
  270   1HA   GLY  37          1HA       GLY  37  15.497   6.710   6.476
  271   2HA   GLY  37          2HA       GLY  37  16.726   7.394   7.526
  272    H    LEU  38           H        LEU  38  13.193   7.717   7.693
  273    HA   LEU  38           HA       LEU  38  13.294   6.886  10.476
  274   1HB   LEU  38          1HB       LEU  38  10.874   7.504  10.489
  275   2HB   LEU  38          2HB       LEU  38  11.966   8.816  10.102
  276    HG   LEU  38           HG       LEU  38  11.386   8.296   7.634
  277   1HD1  LEU  38          1HD1      LEU  38   9.172   7.345   7.278
  278   2HD1  LEU  38          2HD1      LEU  38   9.039   6.987   9.000
  279   3HD1  LEU  38          3HD1      LEU  38  10.255   6.167   8.022
  280   1HD2  LEU  38          1HD2      LEU  38  10.723  10.323   8.773
  281   2HD2  LEU  38          2HD2      LEU  38   9.360   9.487   9.521
  282   3HD2  LEU  38          3HD2      LEU  38   9.395   9.730   7.774
  283    H    ARG  39           H        ARG  39  11.736   5.279  11.300
  284    HA   ARG  39           HA       ARG  39  11.821   2.941   9.602
  285   1HB   ARG  39          1HB       ARG  39  10.908   1.746  11.572
  286   2HB   ARG  39          2HB       ARG  39  12.395   2.610  11.912
  287   1HG   ARG  39          1HG       ARG  39  11.028   4.448  12.892
  288   2HG   ARG  39          2HG       ARG  39   9.601   3.432  12.673
  289   1HD   ARG  39          1HD       ARG  39  10.400   3.220  14.938
  290   2HD   ARG  39          2HD       ARG  39  10.667   1.702  14.079
  291    HE   ARG  39           HE       ARG  39  12.872   3.629  14.268
  292   1HH1  ARG  39          1HH1      ARG  39  11.494   0.520  15.116
  293   2HH1  ARG  39          2HH1      ARG  39  12.976  -0.081  15.809
  294   1HH2  ARG  39          1HH2      ARG  39  14.810   2.842  15.171
  295   2HH2  ARG  39          2HH2      ARG  39  14.841   1.246  15.868
  296    H    SER  40           H        SER  40  10.156   1.815   8.780
  297    HA   SER  40           HA       SER  40   7.647   3.254   8.487
  298   1HB   SER  40          1HB       SER  40   7.227   1.285   6.863
  299   2HB   SER  40          2HB       SER  40   8.468   2.462   6.429
  300    HG   SER  40           HG       SER  40   8.721  -0.202   7.201
  301    H    SER  41           H        SER  41   5.603   2.218   8.822
  302    HA   SER  41           HA       SER  41   5.613   0.267  10.976
  303   1HB   SER  41          1HB       SER  41   3.328   1.681   9.580
  304   2HB   SER  41          2HB       SER  41   3.169   0.645  11.002
  305    HG   SER  41           HG       SER  41   3.803   3.245  10.882
  306    H    ALA  42           H        ALA  42   5.340  -1.837  10.705
  307    HA   ALA  42           HA       ALA  42   5.595  -3.027   8.193
  308   1HB   ALA  42          1HB       ALA  42   4.615  -4.274  10.758
  309   2HB   ALA  42          2HB       ALA  42   6.300  -4.101  10.267
  310   3HB   ALA  42          3HB       ALA  42   5.216  -5.141   9.344
  311    H    LEU  43           H        LEU  43   4.107  -2.793   6.654
  312    HA   LEU  43           HA       LEU  43   1.312  -3.396   7.344
  313   1HB   LEU  43          1HB       LEU  43   2.069  -1.094   6.306
  314   2HB   LEU  43          2HB       LEU  43   2.118  -2.005   4.812
  315    HG   LEU  43           HG       LEU  43   0.012  -0.721   5.165
  316   1HD1  LEU  43          1HD1      LEU  43   0.028  -2.644   3.669
  317   2HD1  LEU  43          2HD1      LEU  43  -1.515  -2.509   4.514
  318   3HD1  LEU  43          3HD1      LEU  43  -0.331  -3.710   5.026
  319   1HD2  LEU  43          1HD2      LEU  43  -1.623  -1.569   6.773
  320   2HD2  LEU  43          2HD2      LEU  43  -0.170  -0.967   7.570
  321   3HD2  LEU  43          3HD2      LEU  43  -0.420  -2.703   7.389
  322    H    LYS  44           H        LYS  44   1.691  -5.639   7.178
  323    HA   LYS  44           HA       LYS  44   2.175  -6.556   4.434
  324   1HB   LYS  44          1HB       LYS  44   3.160  -8.619   5.405
  325   2HB   LYS  44          2HB       LYS  44   4.089  -7.167   5.744
  326   1HG   LYS  44          1HG       LYS  44   3.036  -7.097   7.994
  327   2HG   LYS  44          2HG       LYS  44   2.278  -8.652   7.634
  328   1HD   LYS  44          1HD       LYS  44   4.499  -9.635   7.278
  329   2HD   LYS  44          2HD       LYS  44   5.240  -8.084   7.677
  330   1HE   LYS  44          1HE       LYS  44   4.112  -8.217   9.905
  331   2HE   LYS  44          2HE       LYS  44   3.607  -9.854   9.486
  332   1HZ   LYS  44          1HZ       LYS  44   6.415  -8.904   9.645
  333   2HZ   LYS  44          2HZ       LYS  44   5.929 -10.484   9.260
  334   3HZ   LYS  44          3HZ       LYS  44   5.633  -9.857  10.808
  335    H    GLY  45           H        GLY  45   0.622  -7.664   3.550
  336   1HA   GLY  45          1HA       GLY  45  -1.054  -9.546   4.684
  337   2HA   GLY  45          2HA       GLY  45  -1.864  -7.993   4.873
  338    H    ARG  46           H        ARG  46  -3.490  -8.933   3.448
  339    HA   ARG  46           HA       ARG  46  -2.666  -9.035   0.633
  340   1HB   ARG  46          1HB       ARG  46  -4.988 -10.128   2.148
  341   2HB   ARG  46          2HB       ARG  46  -5.256  -9.664   0.472
  342   1HG   ARG  46          1HG       ARG  46  -3.450 -11.135  -0.234
  343   2HG   ARG  46          2HG       ARG  46  -3.166 -11.604   1.445
  344   1HD   ARG  46          1HD       ARG  46  -5.768 -12.007  -0.025
  345   2HD   ARG  46          2HD       ARG  46  -4.514 -13.237   0.130
  346    HE   ARG  46           HE       ARG  46  -5.175 -12.302   2.691
  347   1HH1  ARG  46          1HH1      ARG  46  -6.580 -14.166   0.071
  348   2HH1  ARG  46          2HH1      ARG  46  -7.604 -15.104   1.121
  349   1HH2  ARG  46          1HH2      ARG  46  -6.533 -13.528   4.060
  350   2HH2  ARG  46          2HH2      ARG  46  -7.580 -14.740   3.377
  351    H    HIS  47           H        HIS  47  -2.425  -6.936   0.068
  352    HA   HIS  47           HA       HIS  47  -4.867  -5.356  -0.100
  353   1HB   HIS  47          1HB       HIS  47  -2.425  -4.527   1.415
  354   2HB   HIS  47          2HB       HIS  47  -3.379  -3.304   0.579
  355    HD1  HIS  47           HD1      HIS  47  -6.184  -4.691   1.232
  356    HD2  HIS  47           HD2      HIS  47  -3.171  -3.766   3.960
  357    HE1  HIS  47           HE1      HIS  47  -7.325  -4.445   3.468
  358    HE2  HIS  47           HE2      HIS  47  -5.496  -3.806   5.086
  359    H    ASP  48           H        ASP  48  -4.707  -3.569  -1.586
  360    HA   ASP  48           HA       ASP  48  -3.000  -4.207  -3.832
  361   1HB   ASP  48          1HB       ASP  48  -4.300  -2.530  -5.046
  362   2HB   ASP  48          2HB       ASP  48  -5.374  -3.643  -4.204
  363    H    LEU  49           H        LEU  49  -2.224  -2.098  -5.058
  364    HA   LEU  49           HA       LEU  49   0.014  -1.221  -3.636
  365   1HB   LEU  49          1HB       LEU  49  -0.116  -1.333  -6.084
  366   2HB   LEU  49          2HB       LEU  49  -1.265  -0.010  -6.087
  367    HG   LEU  49           HG       LEU  49   0.487   1.469  -5.134
  368   1HD1  LEU  49          1HD1      LEU  49   1.854  -0.219  -4.039
  369   2HD1  LEU  49          2HD1      LEU  49   2.818   0.719  -5.179
  370   3HD1  LEU  49          3HD1      LEU  49   2.285  -0.908  -5.604
  371   1HD2  LEU  49          1HD2      LEU  49   1.196   0.085  -7.719
  372   2HD2  LEU  49          2HD2      LEU  49   1.784   1.667  -7.205
  373   3HD2  LEU  49          3HD2      LEU  49   0.068   1.427  -7.528
  374    H    GLN  50           H        GLN  50  -2.907   0.627  -4.545
  375    HA   GLN  50           HA       GLN  50  -2.082   3.041  -3.390
  376   1HB   GLN  50          1HB       GLN  50  -4.870   2.038  -3.956
  377   2HB   GLN  50          2HB       GLN  50  -4.475   3.692  -3.511
  378   1HG   GLN  50          1HG       GLN  50  -3.565   2.238  -5.982
  379   2HG   GLN  50          2HG       GLN  50  -4.781   3.513  -5.896
  380   1HE2  GLN  50          1HE2      GLN  50  -1.405   2.762  -5.840
  381   2HE2  GLN  50          2HE2      GLN  50  -0.831   4.385  -5.970
  382    H    SER  51           H        SER  51  -4.144   0.459  -2.084
  383    HA   SER  51           HA       SER  51  -4.767   1.709   0.344
  384   1HB   SER  51          1HB       SER  51  -4.451  -1.250  -0.227
  385   2HB   SER  51          2HB       SER  51  -5.264  -0.559   1.179
  386    HG   SER  51           HG       SER  51  -6.152  -0.868  -1.400
  387    H    SER  52           H        SER  52  -2.051  -0.407  -0.519
  388    HA   SER  52           HA       SER  52  -0.874  -0.535   2.023
  389   1HB   SER  52          1HB       SER  52   0.502  -0.634  -0.677
  390   2HB   SER  52          2HB       SER  52   1.150  -1.241   0.849
  391    HG   SER  52           HG       SER  52  -0.918  -2.269  -0.752
  392    H    LEU  53           H        LEU  53  -0.294   1.700  -0.690
  393    HA   LEU  53           HA       LEU  53   1.705   3.236   0.554
  394   1HB   LEU  53          1HB       LEU  53  -0.296   3.916  -1.593
  395   2HB   LEU  53          2HB       LEU  53   0.971   5.016  -1.085
  396    HG   LEU  53           HG       LEU  53   1.471   2.265  -2.219
  397   1HD1  LEU  53          1HD1      LEU  53   1.648   4.963  -3.560
  398   2HD1  LEU  53          2HD1      LEU  53   0.427   3.732  -3.879
  399   3HD1  LEU  53          3HD1      LEU  53   2.119   3.419  -4.269
  400   1HD2  LEU  53          1HD2      LEU  53   3.310   4.591  -1.654
  401   2HD2  LEU  53          2HD2      LEU  53   3.775   3.090  -2.453
  402   3HD2  LEU  53          3HD2      LEU  53   3.253   3.067  -0.769
  403    H    ARG  54           H        ARG  54  -1.810   3.564   0.506
  404    HA   ARG  54           HA       ARG  54  -1.957   6.104   1.697
  405   1HB   ARG  54          1HB       ARG  54  -3.762   4.520   0.524
  406   2HB   ARG  54          2HB       ARG  54  -4.127   4.119   2.193
  407   1HG   ARG  54          1HG       ARG  54  -4.138   6.895   1.030
  408   2HG   ARG  54          2HG       ARG  54  -5.565   5.896   1.311
  409   1HD   ARG  54          1HD       ARG  54  -5.149   5.904   3.687
  410   2HD   ARG  54          2HD       ARG  54  -3.636   6.775   3.455
  411    HE   ARG  54           HE       ARG  54  -6.223   7.981   2.706
  412   1HH1  ARG  54          1HH1      ARG  54  -3.217   8.048   4.490
  413   2HH1  ARG  54          2HH1      ARG  54  -3.415   9.688   5.033
  414   1HH2  ARG  54          1HH2      ARG  54  -6.506  10.134   3.407
  415   2HH2  ARG  54          2HH2      ARG  54  -5.314  10.869   4.446
  416    H    ILE  55           H        ILE  55  -2.178   2.849   3.124
  417    HA   ILE  55           HA       ILE  55  -2.535   3.854   5.775
  418    HB   ILE  55           HB       ILE  55  -1.675   1.071   4.961
  419   1HG1  ILE  55          1HG1      ILE  55  -4.451   2.182   5.447
  420   2HG1  ILE  55          2HG1      ILE  55  -3.789   1.749   3.875
  421   1HG2  ILE  55          1HG2      ILE  55  -2.621   0.418   7.131
  422   2HG2  ILE  55          2HG2      ILE  55  -2.964   2.110   7.487
  423   3HG2  ILE  55          3HG2      ILE  55  -1.294   1.565   7.320
  424   1HD1  ILE  55          1HD1      ILE  55  -5.280   0.033   4.708
  425   2HD1  ILE  55          2HD1      ILE  55  -4.299  -0.135   6.163
  426   3HD1  ILE  55          3HD1      ILE  55  -3.630  -0.579   4.593
  427    H    LEU  56           H        LEU  56   0.235   2.851   3.857
  428    HA   LEU  56           HA       LEU  56   2.090   2.693   5.989
  429   1HB   LEU  56          1HB       LEU  56   2.463   1.697   3.762
  430   2HB   LEU  56          2HB       LEU  56   2.601   3.304   3.078
  431    HG   LEU  56           HG       LEU  56   4.610   3.702   4.464
  432   1HD1  LEU  56          1HD1      LEU  56   5.672   1.822   5.605
  433   2HD1  LEU  56          2HD1      LEU  56   4.285   0.802   5.223
  434   3HD1  LEU  56          3HD1      LEU  56   4.092   2.183   6.303
  435   1HD2  LEU  56          1HD2      LEU  56   6.099   2.205   3.215
  436   2HD2  LEU  56          2HD2      LEU  56   4.854   2.905   2.181
  437   3HD2  LEU  56          3HD2      LEU  56   4.708   1.236   2.732
  438    H    LEU  57           H        LEU  57   1.133   5.331   3.831
  439    HA   LEU  57           HA       LEU  57   2.900   7.142   5.318
  440   1HB   LEU  57          1HB       LEU  57   1.405   7.581   2.739
  441   2HB   LEU  57          2HB       LEU  57   2.490   8.735   3.490
  442    HG   LEU  57           HG       LEU  57   3.241   6.045   2.343
  443   1HD1  LEU  57          1HD1      LEU  57   4.511   7.369   0.737
  444   2HD1  LEU  57          2HD1      LEU  57   3.902   8.852   1.471
  445   3HD1  LEU  57          3HD1      LEU  57   2.790   7.748   0.662
  446   1HD2  LEU  57          1HD2      LEU  57   4.566   6.546   4.323
  447   2HD2  LEU  57          2HD2      LEU  57   4.963   8.133   3.668
  448   3HD2  LEU  57          3HD2      LEU  57   5.544   6.676   2.861
  449    H    GLN  58           H        GLN  58   0.102   6.010   5.937
  450    HA   GLN  58           HA       GLN  58  -1.820   8.000   6.075
  451   1HB   GLN  58          1HB       GLN  58  -2.131   5.591   6.656
  452   2HB   GLN  58          2HB       GLN  58  -1.283   5.884   8.167
  453   1HG   GLN  58          1HG       GLN  58  -3.047   7.559   8.739
  454   2HG   GLN  58          2HG       GLN  58  -3.927   7.029   7.305
  455   1HE2  GLN  58          1HE2      GLN  58  -4.820   4.950   7.261
  456   2HE2  GLN  58          2HE2      GLN  58  -5.061   4.032   8.714
  457    H    GLY  59           H        GLY  59  -0.920  10.021   6.574
  458   1HA   GLY  59          1HA       GLY  59  -0.546  11.778   8.008
  459   2HA   GLY  59          2HA       GLY  59  -1.018  10.711   9.319
  460    H    THR  60           H        THR  60   1.656   9.891   7.220
  461    HA   THR  60           HA       THR  60   3.469  10.107   9.469
  462    HB   THR  60           HB       THR  60   5.139   9.113   7.897
  463    HG1  THR  60           HG1      THR  60   4.254   8.335   5.882
  464   1HG2  THR  60          1HG2      THR  60   4.068   6.907   7.778
  465   2HG2  THR  60          2HG2      THR  60   2.502   7.650   8.105
  466   3HG2  THR  60          3HG2      THR  60   3.766   7.684   9.333
  467    H    GLY  61           H        GLY  61   2.389  12.295   7.321
  468   1HA   GLY  61          1HA       GLY  61   3.143  14.492   7.076
  469   2HA   GLY  61          2HA       GLY  61   4.702  14.007   7.729
  470    H    LEU  62           H        LEU  62   4.122  11.711   5.534
  471    HA   LEU  62           HA       LEU  62   5.651  13.095   3.467
  472   1HB   LEU  62          1HB       LEU  62   5.012  10.154   3.765
  473   2HB   LEU  62          2HB       LEU  62   6.126  10.859   2.610
  474    HG   LEU  62           HG       LEU  62   6.496  10.896   5.610
  475   1HD1  LEU  62          1HD1      LEU  62   6.692   8.642   4.730
  476   2HD1  LEU  62          2HD1      LEU  62   8.275   9.263   5.196
  477   3HD1  LEU  62          3HD1      LEU  62   7.818   9.204   3.494
  478   1HD2  LEU  62          1HD2      LEU  62   7.553  12.796   4.527
  479   2HD2  LEU  62          2HD2      LEU  62   8.335  11.723   3.366
  480   3HD2  LEU  62          3HD2      LEU  62   8.770  11.646   5.073
  481    H    ARG  63           H        ARG  63   4.986  13.025   1.297
  482    HA   ARG  63           HA       ARG  63   2.151  12.336   0.886
  483   1HB   ARG  63          1HB       ARG  63   2.657  14.823   0.984
  484   2HB   ARG  63          2HB       ARG  63   3.625  14.605  -0.466
  485   1HG   ARG  63          1HG       ARG  63   1.632  13.822  -1.664
  486   2HG   ARG  63          2HG       ARG  63   0.672  14.083  -0.207
  487   1HD   ARG  63          1HD       ARG  63   1.235  16.461  -0.261
  488   2HD   ARG  63          2HD       ARG  63   2.196  16.204  -1.716
  489    HE   ARG  63           HE       ARG  63  -0.508  15.304  -2.011
  490   1HH1  ARG  63          1HH1      ARG  63   1.560  18.126  -2.131
  491   2HH1  ARG  63          2HH1      ARG  63   0.506  19.021  -3.178
  492   1HH2  ARG  63          1HH2      ARG  63  -1.914  16.482  -3.382
  493   2HH2  ARG  63          2HH2      ARG  63  -1.486  18.097  -3.866
  494    H    TYR  64           H        TYR  64   1.671  11.687  -1.362
  495    HA   TYR  64           HA       TYR  64   4.038  10.919  -2.890
  496   1HB   TYR  64          1HB       TYR  64   3.344   8.614  -3.153
  497   2HB   TYR  64          2HB       TYR  64   3.524   8.987  -1.447
  498    HD1  TYR  64           HD1      TYR  64   1.542   9.097   0.016
  499    HD2  TYR  64           HD2      TYR  64   1.193   8.048  -4.092
  500    HE1  TYR  64           HE1      TYR  64  -0.712   8.205   0.437
  501    HE2  TYR  64           HE2      TYR  64  -1.059   7.156  -3.682
  502    HH   TYR  64           HH       TYR  64  -2.395   6.299  -1.838
  503    H    GLN  65           H        GLN  65   3.833  11.411  -4.927
  504    HA   GLN  65           HA       GLN  65   1.154  11.343  -6.147
  505   1HB   GLN  65          1HB       GLN  65   3.700  12.724  -6.997
  506   2HB   GLN  65          2HB       GLN  65   2.352  12.497  -8.096
  507   1HG   GLN  65          1HG       GLN  65   1.945  14.608  -7.357
  508   2HG   GLN  65          2HG       GLN  65   0.997  13.678  -6.201
  509   1HE2  GLN  65          1HE2      GLN  65   1.646  13.596  -4.068
  510   2HE2  GLN  65          2HE2      GLN  65   2.889  14.620  -3.428
  511    H    ILE  66           H        ILE  66   0.698   9.629  -7.412
  512    HA   ILE  66           HA       ILE  66   2.948   7.932  -8.222
  513    HB   ILE  66           HB       ILE  66   1.425   6.697  -6.872
  514   1HG1  ILE  66          1HG1      ILE  66   0.904   5.989  -9.767
  515   2HG1  ILE  66          2HG1      ILE  66   2.349   5.556  -8.864
  516   1HG2  ILE  66          1HG2      ILE  66  -0.538   8.099  -7.026
  517   2HG2  ILE  66          2HG2      ILE  66  -0.961   6.433  -7.422
  518   3HG2  ILE  66          3HG2      ILE  66  -0.779   7.626  -8.708
  519   1HD1  ILE  66          1HD1      ILE  66  -0.449   4.648  -8.245
  520   2HD1  ILE  66          2HD1      ILE  66   1.006   4.201  -7.355
  521   3HD1  ILE  66          3HD1      ILE  66   0.806   3.692  -9.032
  522    H    ASP  67           H        ASP  67   3.618   8.660 -10.123
  523    HA   ASP  67           HA       ASP  67   1.643   9.286 -12.200
  524   1HB   ASP  67          1HB       ASP  67   3.394  10.990 -11.638
  525   2HB   ASP  67          2HB       ASP  67   4.615   9.848 -12.191
  526    H    GLY  68           H        GLY  68   1.191   7.727 -13.568
  527   1HA   GLY  68          1HA       GLY  68   1.393   5.892 -14.927
  528   2HA   GLY  68          2HA       GLY  68   3.119   6.219 -14.968
  529    H    ASN  69           H        ASN  69   4.402   4.779 -14.093
  530    HA   ASN  69           HA       ASN  69   3.272   2.813 -12.212
  531   1HB   ASN  69          1HB       ASN  69   5.059   1.285 -12.984
  532   2HB   ASN  69          2HB       ASN  69   4.010   1.784 -14.308
  533   1HD2  ASN  69          1HD2      ASN  69   6.801   0.798 -14.248
  534   2HD2  ASN  69          2HD2      ASN  69   7.717   1.998 -15.099
  535    H    THR  70           H        THR  70   4.685   5.546 -11.969
  536    HA   THR  70           HA       THR  70   6.879   4.683 -10.211
  537    HB   THR  70           HB       THR  70   6.572   7.316 -11.673
  538    HG1  THR  70           HG1      THR  70   7.863   6.453 -13.175
  539   1HG2  THR  70          1HG2      THR  70   8.877   6.226 -10.048
  540   2HG2  THR  70          2HG2      THR  70   7.809   7.543  -9.564
  541   3HG2  THR  70          3HG2      THR  70   8.876   7.741 -10.955
  542    H    VAL  71           H        VAL  71   6.860   5.260  -8.149
  543    HA   VAL  71           HA       VAL  71   4.615   6.925  -7.198
  544    HB   VAL  71           HB       VAL  71   6.107   4.786  -5.663
  545   1HG1  VAL  71          1HG1      VAL  71   4.311   5.017  -4.026
  546   2HG1  VAL  71          2HG1      VAL  71   3.587   6.299  -4.997
  547   3HG1  VAL  71          3HG1      VAL  71   5.169   6.540  -4.255
  548   1HG2  VAL  71          1HG2      VAL  71   4.832   3.771  -7.464
  549   2HG2  VAL  71          2HG2      VAL  71   3.388   4.652  -6.964
  550   3HG2  VAL  71          3HG2      VAL  71   4.078   3.421  -5.907
  551    H    THR  72           H        THR  72   5.238   8.850  -6.435
  552    HA   THR  72           HA       THR  72   8.079   9.198  -5.782
  553    HB   THR  72           HB       THR  72   6.078  11.392  -6.321
  554    HG1  THR  72           HG1      THR  72   6.077  10.433  -8.256
  555   1HG2  THR  72          1HG2      THR  72   8.065  12.705  -6.842
  556   2HG2  THR  72          2HG2      THR  72   9.088  11.299  -6.546
  557   3HG2  THR  72          3HG2      THR  72   8.188  12.028  -5.216
  558    H    VAL  73           H        VAL  73   8.411   8.947  -3.671
  559    HA   VAL  73           HA       VAL  73   6.429   9.868  -1.733
  560    HB   VAL  73           HB       VAL  73   9.053   8.431  -1.261
  561   1HG1  VAL  73          1HG1      VAL  73   6.725   8.935   0.592
  562   2HG1  VAL  73          2HG1      VAL  73   8.303   9.715   0.677
  563   3HG1  VAL  73          3HG1      VAL  73   8.156   7.982   0.973
  564   1HG2  VAL  73          1HG2      VAL  73   7.673   6.437  -0.897
  565   2HG2  VAL  73          2HG2      VAL  73   7.512   7.051  -2.542
  566   3HG2  VAL  73          3HG2      VAL  73   6.238   7.350  -1.359
  567    H    THR  74           H        THR  74   6.520  11.892  -1.107
  568    HA   THR  74           HA       THR  74   9.124  13.173  -0.692
  569    HB   THR  74           HB       THR  74   6.887  14.328  -2.370
  570    HG1  THR  74           HG1      THR  74   9.071  12.834  -2.939
  571   1HG2  THR  74          1HG2      THR  74   9.564  15.522  -1.639
  572   2HG2  THR  74          2HG2      THR  74   7.993  16.060  -1.045
  573   3HG2  THR  74          3HG2      THR  74   8.392  16.216  -2.756
  574    H    ALA  75           H        ALA  75   9.161  14.036   1.282
  575    HA   ALA  75           HA       ALA  75   6.923  14.382   2.944
  576   1HB   ALA  75          1HB       ALA  75   9.225  14.172   3.781
  577   2HB   ALA  75          2HB       ALA  75   8.423  15.606   4.421
  578   3HB   ALA  75          3HB       ALA  75   9.603  15.762   3.120
  579    H    SER  76           H        SER  76   5.500  16.012   3.220
  580    HA   SER  76           HA       SER  76   6.066  18.659   2.169
  581   1HB   SER  76          1HB       SER  76   3.704  17.047   1.167
  582   2HB   SER  76          2HB       SER  76   4.039  18.735   0.781
  583    HG   SER  76           HG       SER  76   6.232  17.372   0.229
  584    H    ALA  77           H        ALA  77   5.977  19.148   4.408
  585    HA   ALA  77           HA       ALA  77   3.235  19.548   5.358
  586   1HB   ALA  77          1HB       ALA  77   3.889  18.912   7.639
  587   2HB   ALA  77          2HB       ALA  77   5.480  18.436   7.045
  588   3HB   ALA  77          3HB       ALA  77   4.041  17.564   6.514
  589    H    ALA  78           H        ALA  78   3.082  21.699   5.329
  590    HA   ALA  78           HA       ALA  78   4.728  23.304   7.024
  591   1HB   ALA  78          1HB       ALA  78   4.926  23.776   4.045
  592   2HB   ALA  78          2HB       ALA  78   6.215  23.153   5.074
  593   3HB   ALA  78          3HB       ALA  78   5.617  24.796   5.306
  594    H    ALA  79           H        ALA  79   4.132  25.743   6.524
  595    HA   ALA  79           HA       ALA  79   2.564  27.374   6.478
  596   1HB   ALA  79          1HB       ALA  79   2.443  26.790   4.104
  597   2HB   ALA  79          2HB       ALA  79   0.882  27.321   4.726
  598   3HB   ALA  79          3HB       ALA  79   1.188  25.605   4.463
  599    H    LYS  80           H        LYS  80   2.325  25.817   8.649
  600    HA   LYS  80           HA       LYS  80  -0.544  25.274   8.935
  601   1HB   LYS  80          1HB       LYS  80   1.115  23.551   9.676
  602   2HB   LYS  80          2HB       LYS  80   1.693  24.687  10.884
  603   1HG   LYS  80          1HG       LYS  80   0.178  23.062  11.862
  604   2HG   LYS  80          2HG       LYS  80  -0.496  24.689  11.952
  605   1HD   LYS  80          1HD       LYS  80  -2.219  23.110  11.304
  606   2HD   LYS  80          2HD       LYS  80  -1.870  24.202   9.966
  607   1HE   LYS  80          1HE       LYS  80  -0.443  22.478   8.948
  608   2HE   LYS  80          2HE       LYS  80  -0.830  21.384  10.277
  609   1HZ   LYS  80          1HZ       LYS  80  -2.207  20.926   8.348
  610   2HZ   LYS  80          2HZ       LYS  80  -2.784  22.521   8.340
  611   3HZ   LYS  80          3HZ       LYS  80  -3.165  21.486   9.625
  612    H    ASP  81           H        ASP  81  -1.789  26.313  10.474
  613    HA   ASP  81           HA       ASP  81  -2.560  28.042  11.709
  614   1HB   ASP  81          1HB       ASP  81   0.339  28.188  12.517
  615   2HB   ASP  81          2HB       ASP  81  -0.844  29.350  13.106
  616    H    GLY  82           H        GLY  82  -2.456  28.544   9.142
  617   1HA   GLY  82          1HA       GLY  82  -1.126  31.129   8.768
  618   2HA   GLY  82          2HA       GLY  82  -1.850  30.150   7.498
  Start of MODEL    3
    1   1H    SER   1          1H        SER   1  -9.602  -6.396  -4.680
    2   2H    SER   1          2H        SER   1 -11.140  -5.719  -4.948
    3   3H    SER   1          3H        SER   1  -9.780  -5.050  -5.700
    4    HA   SER   1           HA       SER   1 -10.890  -7.744  -6.194
    5   1HB   SER   1          1HB       SER   1 -10.788  -5.321  -8.006
    6   2HB   SER   1          2HB       SER   1 -11.560  -6.868  -8.351
    7    HG   SER   1           HG       SER   1 -13.035  -5.225  -7.639
    8    H    GLN   2           H        GLN   2  -8.281  -5.484  -6.513
    9    HA   GLN   2           HA       GLN   2  -6.671  -7.539  -7.856
   10   1HB   GLN   2          1HB       GLN   2  -6.722  -4.588  -8.543
   11   2HB   GLN   2          2HB       GLN   2  -5.596  -5.761  -9.211
   12   1HG   GLN   2          1HG       GLN   2  -7.315  -6.878 -10.389
   13   2HG   GLN   2          2HG       GLN   2  -8.574  -6.011  -9.513
   14   1HE2  GLN   2          1HE2      GLN   2  -5.688  -4.454 -10.716
   15   2HE2  GLN   2          2HE2      GLN   2  -6.472  -3.529 -11.954
   16    H    GLU   3           H        GLU   3  -5.869  -7.977  -5.719
   17    HA   GLU   3           HA       GLU   3  -4.218  -5.810  -4.577
   18   1HB   GLU   3          1HB       GLU   3  -5.415  -8.193  -3.156
   19   2HB   GLU   3          2HB       GLU   3  -4.431  -6.944  -2.411
   20   1HG   GLU   3          1HG       GLU   3  -6.320  -5.907  -1.917
   21   2HG   GLU   3          2HG       GLU   3  -6.478  -5.545  -3.639
   22    H    TRP   4           H        TRP   4  -2.436  -6.802  -3.121
   23    HA   TRP   4           HA       TRP   4  -1.208  -9.145  -4.395
   24   1HB   TRP   4          1HB       TRP   4   0.204  -6.562  -3.675
   25   2HB   TRP   4          2HB       TRP   4   1.011  -8.037  -4.190
   26    HD1  TRP   4           HD1      TRP   4   0.892  -8.660  -6.786
   27    HE1  TRP   4           HE1      TRP   4   0.348  -7.249  -8.870
   28    HE3  TRP   4           HE3      TRP   4  -1.299  -4.643  -4.499
   29    HZ2  TRP   4           HZ2      TRP   4  -0.853  -4.766  -9.462
   30    HZ3  TRP   4           HZ3      TRP   4  -2.121  -2.795  -5.899
   31    HH2  TRP   4           HH2      TRP   4  -1.901  -2.858  -8.324
   32    H    THR   5           H        THR   5   0.280 -10.286  -2.973
   33    HA   THR   5           HA       THR   5  -0.299  -9.812  -0.145
   34    HB   THR   5           HB       THR   5  -0.579 -12.111  -0.856
   35    HG1  THR   5           HG1      THR   5   1.817 -12.354   0.555
   36   1HG2  THR   5          1HG2      THR   5   2.332 -12.060  -1.647
   37   2HG2  THR   5          2HG2      THR   5   0.963 -12.147  -2.754
   38   3HG2  THR   5          3HG2      THR   5   1.286 -13.480  -1.644
   39    H    LEU   6           H        LEU   6   0.947  -8.362   0.764
   40    HA   LEU   6           HA       LEU   6   3.574  -7.835  -0.403
   41   1HB   LEU   6          1HB       LEU   6   1.954  -6.186   1.534
   42   2HB   LEU   6          2HB       LEU   6   3.424  -5.683   0.721
   43    HG   LEU   6           HG       LEU   6   0.825  -6.337  -0.669
   44   1HD1  LEU   6          1HD1      LEU   6   2.108  -3.679  -0.052
   45   2HD1  LEU   6          2HD1      LEU   6   0.633  -4.321   0.674
   46   3HD1  LEU   6          3HD1      LEU   6   0.669  -3.924  -1.044
   47   1HD2  LEU   6          1HD2      LEU   6   1.925  -5.313  -2.618
   48   2HD2  LEU   6          2HD2      LEU   6   2.749  -6.774  -2.070
   49   3HD2  LEU   6          3HD2      LEU   6   3.420  -5.187  -1.687
   50    H    ASP   7           H        ASP   7   5.401  -7.467   0.847
   51    HA   ASP   7           HA       ASP   7   5.292  -8.101   3.698
   52   1HB   ASP   7          1HB       ASP   7   6.057 -10.169   2.621
   53   2HB   ASP   7          2HB       ASP   7   7.310  -9.273   1.763
   54    H    ILE   8           H        ILE   8   5.887  -6.263   4.584
   55    HA   ILE   8           HA       ILE   8   8.044  -4.715   3.320
   56    HB   ILE   8           HB       ILE   8   5.553  -3.728   4.722
   57   1HG1  ILE   8          1HG1      ILE   8   6.508  -3.422   1.865
   58   2HG1  ILE   8          2HG1      ILE   8   5.236  -4.512   2.404
   59   1HG2  ILE   8          1HG2      ILE   8   7.432  -2.304   5.313
   60   2HG2  ILE   8          2HG2      ILE   8   6.351  -1.464   4.199
   61   3HG2  ILE   8          3HG2      ILE   8   7.867  -2.145   3.609
   62   1HD1  ILE   8          1HD1      ILE   8   4.299  -2.537   1.392
   63   2HD1  ILE   8          2HD1      ILE   8   5.181  -1.509   2.521
   64   3HD1  ILE   8          3HD1      ILE   8   3.908  -2.579   3.113
   65    HA   PRO   9           HA       PRO   9  10.219  -5.448   7.149
   66   1HB   PRO   9          1HB       PRO   9  11.692  -3.052   6.172
   67   2HB   PRO   9          2HB       PRO   9  12.313  -4.621   6.701
   68   1HG   PRO   9          1HG       PRO   9  12.245  -4.014   4.121
   69   2HG   PRO   9          2HG       PRO   9  11.818  -5.646   4.675
   70   1HD   PRO   9          1HD       PRO   9  10.034  -3.409   3.806
   71   2HD   PRO   9          2HD       PRO   9   9.899  -5.150   3.489
   72    H    ALA  10           H        ALA  10  10.821  -4.285   9.062
   73    HA   ALA  10           HA       ALA  10   9.107  -1.932   9.576
   74   1HB   ALA  10          1HB       ALA  10   8.235  -3.915  10.707
   75   2HB   ALA  10          2HB       ALA  10   8.847  -2.743  11.878
   76   3HB   ALA  10          3HB       ALA  10   9.802  -4.174  11.477
   77    H    GLN  11           H        GLN  11  11.837  -2.225   8.680
   78    HA   GLN  11           HA       GLN  11  13.375  -1.069  10.885
   79   1HB   GLN  11          1HB       GLN  11  15.336  -1.555   9.430
   80   2HB   GLN  11          2HB       GLN  11  14.415  -2.999   9.836
   81   1HG   GLN  11          1HG       GLN  11  13.290  -2.849   7.642
   82   2HG   GLN  11          2HG       GLN  11  14.323  -1.480   7.239
   83   1HE2  GLN  11          1HE2      GLN  11  14.156  -4.898   7.746
   84   2HE2  GLN  11          2HE2      GLN  11  15.691  -5.284   7.048
   85    H    SER  12           H        SER  12  15.259   0.081   8.919
   86    HA   SER  12           HA       SER  12  14.250   2.648   8.632
   87   1HB   SER  12          1HB       SER  12  16.125   2.856   6.893
   88   2HB   SER  12          2HB       SER  12  16.588   2.392   8.529
   89    HG   SER  12           HG       SER  12  16.734   0.980   6.173
   90    H    MET  13           H        MET  13  12.992   3.621   7.260
   91    HA   MET  13           HA       MET  13  11.131   2.301   5.737
   92   1HB   MET  13          1HB       MET  13  10.952   4.598   6.663
   93   2HB   MET  13          2HB       MET  13  12.019   5.165   5.388
   94   1HG   MET  13          1HG       MET  13  10.380   4.480   3.711
   95   2HG   MET  13          2HG       MET  13   9.311   3.916   4.996
   96   1HE   MET  13          1HE       MET  13   8.517   7.285   6.871
   97   2HE   MET  13          2HE       MET  13   9.843   6.174   7.213
   98   3HE   MET  13          3HE       MET  13   8.240   5.543   6.837
   99    H    ASN  14           H        ASN  14  14.277   3.442   4.693
  100    HA   ASN  14           HA       ASN  14  13.852   3.538   1.927
  101   1HB   ASN  14          1HB       ASN  14  16.288   3.217   1.680
  102   2HB   ASN  14          2HB       ASN  14  15.900   4.434   2.888
  103   1HD2  ASN  14          1HD2      ASN  14  18.270   2.671   2.444
  104   2HD2  ASN  14          2HD2      ASN  14  18.530   1.899   3.976
  105    H    SER  15           H        SER  15  14.555   0.796   4.045
  106    HA   SER  15           HA       SER  15  15.007  -1.036   1.880
  107   1HB   SER  15          1HB       SER  15  14.298  -1.735   4.744
  108   2HB   SER  15          2HB       SER  15  15.190  -2.715   3.574
  109    HG   SER  15           HG       SER  15  16.406  -1.470   5.274
  110    H    ALA  16           H        ALA  16  12.368  -0.151   4.009
  111    HA   ALA  16           HA       ALA  16  10.549  -2.160   3.314
  112   1HB   ALA  16          1HB       ALA  16   8.855  -0.714   4.261
  113   2HB   ALA  16          2HB       ALA  16   9.958   0.660   4.175
  114   3HB   ALA  16          3HB       ALA  16  10.314  -0.688   5.253
  115    H    LEU  17           H        LEU  17  11.068   1.061   1.930
  116    HA   LEU  17           HA       LEU  17   8.899   0.954   0.133
  117   1HB   LEU  17          1HB       LEU  17  11.456   2.551   0.010
  118   2HB   LEU  17          2HB       LEU  17  10.074   2.806  -1.039
  119    HG   LEU  17           HG       LEU  17  10.073   3.135   1.964
  120   1HD1  LEU  17          1HD1      LEU  17  11.340   4.890   0.882
  121   2HD1  LEU  17          2HD1      LEU  17   9.797   5.524   1.460
  122   3HD1  LEU  17          3HD1      LEU  17  10.022   5.172  -0.254
  123   1HD2  LEU  17          1HD2      LEU  17   7.837   4.056   1.653
  124   2HD2  LEU  17          2HD2      LEU  17   7.914   2.384   1.100
  125   3HD2  LEU  17          3HD2      LEU  17   7.921   3.701  -0.072
  126    H    GLN  18           H        GLN  18  12.300   0.032  -0.198
  127    HA   GLN  18           HA       GLN  18  12.210  -0.632  -2.927
  128   1HB   GLN  18          1HB       GLN  18  14.295  -0.409  -1.590
  129   2HB   GLN  18          2HB       GLN  18  13.909  -1.922  -0.782
  130   1HG   GLN  18          1HG       GLN  18  13.992  -3.070  -2.965
  131   2HG   GLN  18          2HG       GLN  18  14.468  -1.549  -3.717
  132   1HE2  GLN  18          1HE2      GLN  18  16.427  -2.310  -4.422
  133   2HE2  GLN  18          2HE2      GLN  18  17.747  -2.664  -3.344
  134    H    ALA  19           H        ALA  19  11.392  -2.465  -0.032
  135    HA   ALA  19           HA       ALA  19  11.019  -4.957  -1.324
  136   1HB   ALA  19          1HB       ALA  19   9.885  -5.640   0.717
  137   2HB   ALA  19          2HB       ALA  19   9.802  -3.961   1.249
  138   3HB   ALA  19          3HB       ALA  19  11.366  -4.758   1.089
  139    H    LEU  20           H        LEU  20   8.833  -2.263  -0.581
  140    HA   LEU  20           HA       LEU  20   6.441  -3.595  -1.353
  141   1HB   LEU  20          1HB       LEU  20   6.377  -1.635   0.084
  142   2HB   LEU  20          2HB       LEU  20   7.129  -0.660  -1.161
  143    HG   LEU  20           HG       LEU  20   5.125  -0.927  -2.573
  144   1HD1  LEU  20          1HD1      LEU  20   3.976  -2.335  -0.169
  145   2HD1  LEU  20          2HD1      LEU  20   4.370  -3.081  -1.719
  146   3HD1  LEU  20          3HD1      LEU  20   3.089  -1.873  -1.623
  147   1HD2  LEU  20          1HD2      LEU  20   3.651   0.506  -1.240
  148   2HD2  LEU  20          2HD2      LEU  20   5.336   1.011  -1.117
  149   3HD2  LEU  20          3HD2      LEU  20   4.585   0.116   0.204
  150    H    ALA  21           H        ALA  21   8.889  -1.737  -2.984
  151    HA   ALA  21           HA       ALA  21   7.496  -1.181  -5.386
  152   1HB   ALA  21          1HB       ALA  21   9.690  -0.683  -6.315
  153   2HB   ALA  21          2HB       ALA  21  10.466  -1.448  -4.928
  154   3HB   ALA  21          3HB       ALA  21   9.521   0.025  -4.708
  155    H    LYS  22           H        LYS  22   9.926  -3.641  -4.578
  156    HA   LYS  22           HA       LYS  22   9.793  -4.970  -7.059
  157   1HB   LYS  22          1HB       LYS  22  11.710  -5.161  -5.538
  158   2HB   LYS  22          2HB       LYS  22  10.707  -6.022  -4.378
  159   1HG   LYS  22          1HG       LYS  22  10.485  -7.893  -5.831
  160   2HG   LYS  22          2HG       LYS  22  11.229  -7.017  -7.169
  161   1HD   LYS  22          1HD       LYS  22  12.604  -7.754  -4.588
  162   2HD   LYS  22          2HD       LYS  22  12.761  -8.633  -6.108
  163   1HE   LYS  22          1HE       LYS  22  13.595  -5.785  -5.566
  164   2HE   LYS  22          2HE       LYS  22  14.657  -7.168  -5.817
  165   1HZ   LYS  22          1HZ       LYS  22  13.690  -7.361  -8.083
  166   2HZ   LYS  22          2HZ       LYS  22  14.555  -5.926  -7.829
  167   3HZ   LYS  22          3HZ       LYS  22  12.861  -5.904  -7.821
  168    H    GLN  23           H        GLN  23   7.983  -5.348  -4.081
  169    HA   GLN  23           HA       GLN  23   6.884  -7.890  -4.639
  170   1HB   GLN  23          1HB       GLN  23   6.571  -5.844  -2.616
  171   2HB   GLN  23          2HB       GLN  23   5.014  -6.534  -3.057
  172   1HG   GLN  23          1HG       GLN  23   5.951  -7.738  -1.196
  173   2HG   GLN  23          2HG       GLN  23   5.891  -8.775  -2.618
  174   1HE2  GLN  23          1HE2      GLN  23   7.923  -7.110  -0.371
  175   2HE2  GLN  23          2HE2      GLN  23   9.409  -7.845  -0.856
  176    H    THR  24           H        THR  24   6.035  -4.696  -5.738
  177    HA   THR  24           HA       THR  24   3.572  -5.802  -6.922
  178    HB   THR  24           HB       THR  24   2.843  -3.375  -7.078
  179    HG1  THR  24           HG1      THR  24   4.832  -2.951  -5.083
  180   1HG2  THR  24          1HG2      THR  24   1.934  -4.898  -5.397
  181   2HG2  THR  24          2HG2      THR  24   2.125  -3.275  -4.736
  182   3HG2  THR  24          3HG2      THR  24   3.287  -4.537  -4.325
  183    H    ASP  25           H        ASP  25   6.623  -5.137  -7.722
  184    HA   ASP  25           HA       ASP  25   7.793  -4.656  -9.600
  185   1HB   ASP  25          1HB       ASP  25   5.155  -5.373 -10.888
  186   2HB   ASP  25          2HB       ASP  25   6.619  -5.034 -11.804
  187    H    THR  26           H        THR  26   6.785  -2.484  -8.207
  188    HA   THR  26           HA       THR  26   6.019  -0.601 -10.334
  189    HB   THR  26           HB       THR  26   5.219   0.858  -8.451
  190    HG1  THR  26           HG1      THR  26   5.057  -1.346  -6.745
  191   1HG2  THR  26          1HG2      THR  26   3.148  -0.430  -8.045
  192   2HG2  THR  26          2HG2      THR  26   3.927  -1.861  -8.723
  193   3HG2  THR  26          3HG2      THR  26   3.632  -0.451  -9.740
  194    H    GLN  27           H        GLN  27   6.836   1.647  -9.983
  195    HA   GLN  27           HA       GLN  27   9.604   1.566  -8.991
  196   1HB   GLN  27          1HB       GLN  27   8.264   3.467 -10.918
  197   2HB   GLN  27          2HB       GLN  27   9.890   3.695 -10.293
  198   1HG   GLN  27          1HG       GLN  27  10.344   1.349 -11.251
  199   2HG   GLN  27          2HG       GLN  27   8.867   1.616 -12.173
  200   1HE2  GLN  27          1HE2      GLN  27  11.140   4.125 -11.267
  201   2HE2  GLN  27          2HE2      GLN  27  11.683   4.479 -12.876
  202    H    LEU  28           H        LEU  28   9.984   2.451  -7.100
  203    HA   LEU  28           HA       LEU  28   8.183   4.589  -6.178
  204   1HB   LEU  28          1HB       LEU  28   9.805   2.643  -4.531
  205   2HB   LEU  28          2HB       LEU  28   8.864   3.969  -3.878
  206    HG   LEU  28           HG       LEU  28   7.796   1.538  -5.310
  207   1HD1  LEU  28          1HD1      LEU  28   6.719   1.088  -3.150
  208   2HD1  LEU  28          2HD1      LEU  28   7.547   2.486  -2.463
  209   3HD1  LEU  28          3HD1      LEU  28   8.478   1.100  -3.027
  210   1HD2  LEU  28          1HD2      LEU  28   6.485   3.511  -5.896
  211   2HD2  LEU  28          2HD2      LEU  28   6.305   3.906  -4.186
  212   3HD2  LEU  28          3HD2      LEU  28   5.577   2.436  -4.833
  213    H    LEU  29           H        LEU  29   9.080   6.505  -6.288
  214    HA   LEU  29           HA       LEU  29  12.005   6.697  -6.346
  215   1HB   LEU  29          1HB       LEU  29   9.872   8.635  -7.256
  216   2HB   LEU  29          2HB       LEU  29  11.600   8.896  -7.397
  217    HG   LEU  29           HG       LEU  29  10.121   6.635  -8.741
  218   1HD1  LEU  29          1HD1      LEU  29   9.402   8.800  -9.630
  219   2HD1  LEU  29          2HD1      LEU  29  10.360   7.894 -10.803
  220   3HD1  LEU  29          3HD1      LEU  29  11.087   9.238  -9.917
  221   1HD2  LEU  29          1HD2      LEU  29  12.926   7.691  -9.080
  222   2HD2  LEU  29          2HD2      LEU  29  12.185   6.413 -10.041
  223   3HD2  LEU  29          3HD2      LEU  29  12.469   6.166  -8.317
  224    H    TYR  30           H        TYR  30  13.041   7.521  -4.654
  225    HA   TYR  30           HA       TYR  30  11.863   9.536  -2.971
  226   1HB   TYR  30          1HB       TYR  30  11.970   8.192  -0.891
  227   2HB   TYR  30          2HB       TYR  30  10.774   7.581  -2.026
  228    HD1  TYR  30           HD1      TYR  30  11.199   5.474  -3.259
  229    HD2  TYR  30           HD2      TYR  30  13.868   6.855  -0.244
  230    HE1  TYR  30           HE1      TYR  30  12.199   3.233  -3.127
  231    HE2  TYR  30           HE2      TYR  30  14.875   4.614  -0.106
  232    HH   TYR  30           HH       TYR  30  14.238   2.265  -0.609
  233    H    SER  31           H        SER  31  13.348  10.396  -1.436
  234    HA   SER  31           HA       SER  31  16.148   9.822  -2.091
  235   1HB   SER  31          1HB       SER  31  15.359  12.136  -2.458
  236   2HB   SER  31          2HB       SER  31  14.908  12.245  -0.759
  237    HG   SER  31           HG       SER  31  16.863  13.003  -0.568
  238    HA   PRO  32           HA       PRO  32  16.340   7.537   1.673
  239   1HB   PRO  32          1HB       PRO  32  19.087   7.511   1.895
  240   2HB   PRO  32          2HB       PRO  32  18.150   6.421   0.869
  241   1HG   PRO  32          1HG       PRO  32  19.588   8.942   0.144
  242   2HG   PRO  32          2HG       PRO  32  19.503   7.405  -0.740
  243   1HD   PRO  32          1HD       PRO  32  18.023   9.514  -1.469
  244   2HD   PRO  32          2HD       PRO  32  17.382   7.860  -1.572
  245    H    GLU  33           H        GLU  33  18.252  10.520   1.397
  246    HA   GLU  33           HA       GLU  33  18.659  10.729   4.227
  247   1HB   GLU  33          1HB       GLU  33  20.230  11.721   2.607
  248   2HB   GLU  33          2HB       GLU  33  18.971  12.827   2.072
  249   1HG   GLU  33          1HG       GLU  33  18.866  13.746   4.365
  250   2HG   GLU  33          2HG       GLU  33  20.222  12.711   4.804
  251    H    ASP  34           H        ASP  34  16.168  11.616   2.027
  252    HA   ASP  34           HA       ASP  34  15.229  13.823   3.663
  253   1HB   ASP  34          1HB       ASP  34  14.369  12.763   0.978
  254   2HB   ASP  34          2HB       ASP  34  13.492  14.036   1.822
  255    H    ILE  35           H        ILE  35  14.808  10.546   3.731
  256    HA   ILE  35           HA       ILE  35  12.083  10.786   4.789
  257    HB   ILE  35           HB       ILE  35  12.090   8.316   4.894
  258   1HG1  ILE  35          1HG1      ILE  35  14.786   8.562   3.540
  259   2HG1  ILE  35          2HG1      ILE  35  14.513   7.983   5.179
  260   1HG2  ILE  35          1HG2      ILE  35  12.796   9.485   2.204
  261   2HG2  ILE  35          2HG2      ILE  35  11.194   9.427   2.938
  262   3HG2  ILE  35          3HG2      ILE  35  12.000   7.933   2.465
  263   1HD1  ILE  35          1HD1      ILE  35  13.235   6.095   4.271
  264   2HD1  ILE  35          2HD1      ILE  35  14.897   6.132   3.686
  265   3HD1  ILE  35          3HD1      ILE  35  13.582   6.665   2.640
  266    H    GLY  36           H        GLY  36  15.036  11.327   5.872
  267   1HA   GLY  36          1HA       GLY  36  15.775  11.761   7.994
  268   2HA   GLY  36          2HA       GLY  36  14.160  11.380   8.556
  269    H    GLY  37           H        GLY  37  15.419   8.761   6.860
  270   1HA   GLY  37          1HA       GLY  37  16.139   6.686   7.549
  271   2HA   GLY  37          2HA       GLY  37  17.010   7.519   8.832
  272    H    LEU  38           H        LEU  38  13.542   7.511   8.238
  273    HA   LEU  38           HA       LEU  38  13.030   6.824  11.006
  274   1HB   LEU  38          1HB       LEU  38  11.123   7.346   8.720
  275   2HB   LEU  38          2HB       LEU  38  10.684   7.227  10.412
  276    HG   LEU  38           HG       LEU  38  12.524   9.353   9.318
  277   1HD1  LEU  38          1HD1      LEU  38  10.357   9.606   8.290
  278   2HD1  LEU  38          2HD1      LEU  38  10.575  10.851   9.522
  279   3HD1  LEU  38          3HD1      LEU  38   9.559   9.447   9.857
  280   1HD2  LEU  38          1HD2      LEU  38  12.043  10.470  11.442
  281   2HD2  LEU  38          2HD2      LEU  38  12.788   8.893  11.703
  282   3HD2  LEU  38          3HD2      LEU  38  11.054   9.097  11.943
  283    H    ARG  39           H        ARG  39  11.641   5.054  11.636
  284    HA   ARG  39           HA       ARG  39  11.971   2.682  10.034
  285   1HB   ARG  39          1HB       ARG  39  10.732   1.530  11.808
  286   2HB   ARG  39          2HB       ARG  39  12.039   2.494  12.471
  287   1HG   ARG  39          1HG       ARG  39  10.488   4.202  13.169
  288   2HG   ARG  39          2HG       ARG  39   9.157   3.362  12.373
  289   1HD   ARG  39          1HD       ARG  39   9.563   1.430  13.896
  290   2HD   ARG  39          2HD       ARG  39  10.743   2.420  14.757
  291    HE   ARG  39           HE       ARG  39   8.203   3.721  14.530
  292   1HH1  ARG  39          1HH1      ARG  39   9.950   1.282  16.357
  293   2HH1  ARG  39          2HH1      ARG  39   8.997   1.503  17.797
  294   1HH2  ARG  39          1HH2      ARG  39   6.943   3.997  16.409
  295   2HH2  ARG  39          2HH2      ARG  39   7.273   3.034  17.822
  296    H    SER  40           H        SER  40  10.434   1.570   8.943
  297    HA   SER  40           HA       SER  40   8.131   3.098   8.086
  298   1HB   SER  40          1HB       SER  40   7.864   1.041   6.568
  299   2HB   SER  40          2HB       SER  40   9.290   2.052   6.327
  300    HG   SER  40           HG       SER  40   9.085  -0.539   7.331
  301    H    SER  41           H        SER  41   5.990   2.286   8.099
  302    HA   SER  41           HA       SER  41   5.378   0.538  10.335
  303   1HB   SER  41          1HB       SER  41   3.528   1.978   8.408
  304   2HB   SER  41          2HB       SER  41   3.041   1.146   9.882
  305    HG   SER  41           HG       SER  41   5.005   2.917  10.405
  306    H    ALA  42           H        ALA  42   5.753  -1.524   9.877
  307    HA   ALA  42           HA       ALA  42   5.880  -2.677   7.348
  308   1HB   ALA  42          1HB       ALA  42   5.396  -4.047   9.988
  309   2HB   ALA  42          2HB       ALA  42   6.972  -3.591   9.339
  310   3HB   ALA  42          3HB       ALA  42   5.993  -4.803   8.511
  311    H    LEU  43           H        LEU  43   4.261  -2.872   5.971
  312    HA   LEU  43           HA       LEU  43   1.669  -3.805   6.990
  313   1HB   LEU  43          1HB       LEU  43   1.619  -1.553   5.940
  314   2HB   LEU  43          2HB       LEU  43   2.220  -2.260   4.451
  315    HG   LEU  43           HG       LEU  43   0.173  -3.635   4.297
  316   1HD1  LEU  43          1HD1      LEU  43  -1.722  -3.149   5.747
  317   2HD1  LEU  43          2HD1      LEU  43  -0.735  -2.028   6.681
  318   3HD1  LEU  43          3HD1      LEU  43  -0.353  -3.749   6.682
  319   1HD2  LEU  43          1HD2      LEU  43  -0.313  -0.671   4.570
  320   2HD2  LEU  43          2HD2      LEU  43  -1.333  -1.812   3.693
  321   3HD2  LEU  43          3HD2      LEU  43   0.311  -1.494   3.141
  322    H    LYS  44           H        LYS  44   2.095  -5.971   6.877
  323    HA   LYS  44           HA       LYS  44   2.660  -7.016   4.189
  324   1HB   LYS  44          1HB       LYS  44   3.434  -9.100   5.493
  325   2HB   LYS  44          2HB       LYS  44   4.493  -7.703   5.439
  326   1HG   LYS  44          1HG       LYS  44   3.398  -7.071   7.689
  327   2HG   LYS  44          2HG       LYS  44   2.873  -8.756   7.719
  328   1HD   LYS  44          1HD       LYS  44   5.728  -7.832   7.395
  329   2HD   LYS  44          2HD       LYS  44   5.012  -8.395   8.906
  330   1HE   LYS  44          1HE       LYS  44   4.790 -10.586   8.115
  331   2HE   LYS  44          2HE       LYS  44   4.988 -10.094   6.433
  332   1HZ   LYS  44          1HZ       LYS  44   6.938 -11.214   7.722
  333   2HZ   LYS  44          2HZ       LYS  44   7.207  -9.642   8.309
  334   3HZ   LYS  44          3HZ       LYS  44   7.241  -9.946   6.636
  335    H    GLY  45           H        GLY  45   0.950  -7.767   3.262
  336   1HA   GLY  45          1HA       GLY  45  -0.786  -9.700   4.180
  337   2HA   GLY  45          2HA       GLY  45  -1.504  -8.157   4.633
  338    H    ARG  46           H        ARG  46  -3.249  -8.742   3.173
  339    HA   ARG  46           HA       ARG  46  -2.529  -8.713   0.328
  340   1HB   ARG  46          1HB       ARG  46  -3.950 -10.582   1.014
  341   2HB   ARG  46          2HB       ARG  46  -5.132  -9.463   1.680
  342   1HG   ARG  46          1HG       ARG  46  -5.583  -8.582  -0.535
  343   2HG   ARG  46          2HG       ARG  46  -4.352  -9.640  -1.222
  344   1HD   ARG  46          1HD       ARG  46  -5.619 -11.587  -0.670
  345   2HD   ARG  46          2HD       ARG  46  -6.770 -10.636   0.270
  346    HE   ARG  46           HE       ARG  46  -7.229  -9.509  -1.993
  347   1HH1  ARG  46          1HH1      ARG  46  -6.401 -12.901  -1.580
  348   2HH1  ARG  46          2HH1      ARG  46  -7.246 -13.406  -3.015
  349   1HH2  ARG  46          1HH2      ARG  46  -8.330 -10.171  -3.861
  350   2HH2  ARG  46          2HH2      ARG  46  -8.348 -11.851  -4.318
  351    H    HIS  47           H        HIS  47  -2.238  -6.591  -0.132
  352    HA   HIS  47           HA       HIS  47  -4.602  -4.880   0.076
  353   1HB   HIS  47          1HB       HIS  47  -1.892  -4.259   1.209
  354   2HB   HIS  47          2HB       HIS  47  -2.942  -2.963   0.656
  355    HD1  HIS  47           HD1      HIS  47  -5.380  -2.924   1.857
  356    HD2  HIS  47           HD2      HIS  47  -2.362  -5.051   3.776
  357    HE1  HIS  47           HE1      HIS  47  -6.144  -3.185   4.240
  358    HE2  HIS  47           HE2      HIS  47  -4.230  -4.321   5.424
  359    H    ASP  48           H        ASP  48  -4.528  -3.025  -1.333
  360    HA   ASP  48           HA       ASP  48  -3.056  -3.578  -3.787
  361   1HB   ASP  48          1HB       ASP  48  -4.473  -1.899  -4.827
  362   2HB   ASP  48          2HB       ASP  48  -5.474  -3.023  -3.914
  363    H    LEU  49           H        LEU  49  -2.245  -1.482  -4.942
  364    HA   LEU  49           HA       LEU  49   0.041  -0.763  -3.507
  365   1HB   LEU  49          1HB       LEU  49  -0.121  -0.849  -5.970
  366   2HB   LEU  49          2HB       LEU  49  -1.129   0.584  -5.941
  367    HG   LEU  49           HG       LEU  49   0.761   1.860  -4.967
  368   1HD1  LEU  49          1HD1      LEU  49   3.004   0.883  -5.016
  369   2HD1  LEU  49          2HD1      LEU  49   2.313  -0.676  -5.467
  370   3HD1  LEU  49          3HD1      LEU  49   1.944   0.030  -3.893
  371   1HD2  LEU  49          1HD2      LEU  49   2.091   1.955  -7.023
  372   2HD2  LEU  49          2HD2      LEU  49   0.361   1.903  -7.362
  373   3HD2  LEU  49          3HD2      LEU  49   1.345   0.453  -7.570
  374    H    GLN  50           H        GLN  50  -2.717   1.312  -4.452
  375    HA   GLN  50           HA       GLN  50  -1.698   3.638  -3.267
  376   1HB   GLN  50          1HB       GLN  50  -3.455   3.650  -4.986
  377   2HB   GLN  50          2HB       GLN  50  -4.583   2.953  -3.828
  378   1HG   GLN  50          1HG       GLN  50  -4.429   4.927  -2.441
  379   2HG   GLN  50          2HG       GLN  50  -3.226   5.621  -3.525
  380   1HE2  GLN  50          1HE2      GLN  50  -5.826   6.638  -2.716
  381   2HE2  GLN  50          2HE2      GLN  50  -6.720   6.889  -4.174
  382    H    SER  51           H        SER  51  -4.007   1.250  -1.981
  383    HA   SER  51           HA       SER  51  -4.543   2.605   0.424
  384   1HB   SER  51          1HB       SER  51  -4.566  -0.377  -0.097
  385   2HB   SER  51          2HB       SER  51  -5.334   0.433   1.271
  386    HG   SER  51           HG       SER  51  -6.223   0.108  -1.268
  387    H    SER  52           H        SER  52  -2.028   0.263  -0.413
  388    HA   SER  52           HA       SER  52  -0.907   0.013   2.149
  389   1HB   SER  52          1HB       SER  52   0.484  -0.204  -0.528
  390   2HB   SER  52          2HB       SER  52   1.063  -0.862   1.004
  391    HG   SER  52           HG       SER  52  -1.044  -1.715  -0.634
  392    H    LEU  53           H        LEU  53  -0.291   2.288  -0.480
  393    HA   LEU  53           HA       LEU  53   1.872   3.654   0.675
  394   1HB   LEU  53          1HB       LEU  53  -0.269   4.692  -1.193
  395   2HB   LEU  53          2HB       LEU  53   1.237   5.516  -0.836
  396    HG   LEU  53           HG       LEU  53   1.039   2.814  -2.169
  397   1HD1  LEU  53          1HD1      LEU  53   1.737   4.034  -4.197
  398   2HD1  LEU  53          2HD1      LEU  53   1.539   5.556  -3.325
  399   3HD1  LEU  53          3HD1      LEU  53   0.142   4.521  -3.621
  400   1HD2  LEU  53          1HD2      LEU  53   3.412   3.150  -2.645
  401   2HD2  LEU  53          2HD2      LEU  53   3.104   3.141  -0.907
  402   3HD2  LEU  53          3HD2      LEU  53   3.382   4.668  -1.746
  403    H    ARG  54           H        ARG  54  -1.620   4.103   0.958
  404    HA   ARG  54           HA       ARG  54  -1.586   6.464   2.478
  405   1HB   ARG  54          1HB       ARG  54  -3.581   4.221   2.256
  406   2HB   ARG  54          2HB       ARG  54  -3.852   5.596   3.316
  407   1HG   ARG  54          1HG       ARG  54  -3.687   7.099   1.392
  408   2HG   ARG  54          2HG       ARG  54  -3.462   5.705   0.334
  409   1HD   ARG  54          1HD       ARG  54  -5.647   4.897   0.801
  410   2HD   ARG  54          2HD       ARG  54  -5.859   6.044   2.122
  411    HE   ARG  54           HE       ARG  54  -5.495   7.667  -0.003
  412   1HH1  ARG  54          1HH1      ARG  54  -7.590   4.917   0.504
  413   2HH1  ARG  54          2HH1      ARG  54  -8.863   5.533  -0.499
  414   1HH2  ARG  54          1HH2      ARG  54  -7.157   8.494  -1.315
  415   2HH2  ARG  54          2HH2      ARG  54  -8.613   7.570  -1.543
  416    H    ILE  55           H        ILE  55  -1.846   3.077   3.555
  417    HA   ILE  55           HA       ILE  55  -1.992   3.669   6.296
  418    HB   ILE  55           HB       ILE  55  -1.018   1.126   4.981
  419   1HG1  ILE  55          1HG1      ILE  55  -3.763   1.918   5.981
  420   2HG1  ILE  55          2HG1      ILE  55  -3.284   1.813   4.290
  421   1HG2  ILE  55          1HG2      ILE  55  -1.605   0.031   7.086
  422   2HG2  ILE  55          2HG2      ILE  55  -2.026   1.593   7.789
  423   3HG2  ILE  55          3HG2      ILE  55  -0.356   1.253   7.331
  424   1HD1  ILE  55          1HD1      ILE  55  -4.566  -0.133   4.980
  425   2HD1  ILE  55          2HD1      ILE  55  -3.381  -0.481   6.239
  426   3HD1  ILE  55          3HD1      ILE  55  -2.917  -0.583   4.541
  427    H    LEU  56           H        LEU  56   0.769   3.102   4.186
  428    HA   LEU  56           HA       LEU  56   2.664   2.929   6.328
  429   1HB   LEU  56          1HB       LEU  56   2.824   1.989   3.917
  430   2HB   LEU  56          2HB       LEU  56   3.330   3.604   3.472
  431    HG   LEU  56           HG       LEU  56   4.789   2.041   5.595
  432   1HD1  LEU  56          1HD1      LEU  56   4.723   0.670   3.566
  433   2HD1  LEU  56          2HD1      LEU  56   6.344   1.290   3.879
  434   3HD1  LEU  56          3HD1      LEU  56   5.344   2.030   2.630
  435   1HD2  LEU  56          1HD2      LEU  56   5.630   4.273   3.746
  436   2HD2  LEU  56          2HD2      LEU  56   6.650   3.492   4.955
  437   3HD2  LEU  56          3HD2      LEU  56   5.248   4.437   5.461
  438    H    LEU  57           H        LEU  57   1.450   5.503   4.244
  439    HA   LEU  57           HA       LEU  57   3.366   7.363   5.478
  440   1HB   LEU  57          1HB       LEU  57   1.770   7.630   2.936
  441   2HB   LEU  57          2HB       LEU  57   2.849   8.851   3.576
  442    HG   LEU  57           HG       LEU  57   3.681   6.097   2.658
  443   1HD1  LEU  57          1HD1      LEU  57   4.054   8.800   1.382
  444   2HD1  LEU  57          2HD1      LEU  57   2.987   7.521   0.806
  445   3HD1  LEU  57          3HD1      LEU  57   4.733   7.281   0.799
  446   1HD2  LEU  57          1HD2      LEU  57   5.089   6.954   4.448
  447   2HD2  LEU  57          2HD2      LEU  57   5.309   8.462   3.561
  448   3HD2  LEU  57          3HD2      LEU  57   5.953   6.955   2.910
  449    H    GLN  58           H        GLN  58   0.745   6.420   6.604
  450    HA   GLN  58           HA       GLN  58  -1.267   8.278   6.581
  451   1HB   GLN  58          1HB       GLN  58  -0.175   6.613   8.830
  452   2HB   GLN  58          2HB       GLN  58  -1.547   7.681   9.073
  453   1HG   GLN  58          1HG       GLN  58  -1.449   5.495   7.012
  454   2HG   GLN  58          2HG       GLN  58  -2.145   5.316   8.620
  455   1HE2  GLN  58          1HE2      GLN  58  -4.190   4.906   7.906
  456   2HE2  GLN  58          2HE2      GLN  58  -5.192   6.109   7.155
  457    H    GLY  59           H        GLY  59   1.272   8.299   9.089
  458   1HA   GLY  59          1HA       GLY  59   1.018  11.241   9.151
  459   2HA   GLY  59          2HA       GLY  59   1.062  10.287  10.628
  460    H    THR  60           H        THR  60   3.009   9.807   7.723
  461    HA   THR  60           HA       THR  60   5.412  10.008   9.331
  462    HB   THR  60           HB       THR  60   6.532   9.369   7.141
  463    HG1  THR  60           HG1      THR  60   5.133   8.625   5.509
  464   1HG2  THR  60          1HG2      THR  60   6.050   7.715   8.869
  465   2HG2  THR  60          2HG2      THR  60   5.779   7.027   7.266
  466   3HG2  THR  60          3HG2      THR  60   4.407   7.533   8.255
  467    H    GLY  61           H        GLY  61   3.546  12.074   7.397
  468   1HA   GLY  61          1HA       GLY  61   3.934  14.346   7.058
  469   2HA   GLY  61          2HA       GLY  61   5.613  14.110   7.519
  470    H    LEU  62           H        LEU  62   4.731  11.780   5.281
  471    HA   LEU  62           HA       LEU  62   5.943  13.359   3.115
  472   1HB   LEU  62          1HB       LEU  62   5.921  10.362   3.507
  473   2HB   LEU  62          2HB       LEU  62   6.720  11.223   2.205
  474    HG   LEU  62           HG       LEU  62   7.453  11.425   5.127
  475   1HD1  LEU  62          1HD1      LEU  62   8.001   9.241   4.225
  476   2HD1  LEU  62          2HD1      LEU  62   9.470  10.189   4.461
  477   3HD1  LEU  62          3HD1      LEU  62   8.798   9.993   2.841
  478   1HD2  LEU  62          1HD2      LEU  62   9.421  12.631   4.309
  479   2HD2  LEU  62          2HD2      LEU  62   7.930  13.478   3.901
  480   3HD2  LEU  62          3HD2      LEU  62   8.784  12.553   2.666
  481    H    ARG  63           H        ARG  63   5.166  12.913   0.953
  482    HA   ARG  63           HA       ARG  63   2.420  11.844   0.893
  483   1HB   ARG  63          1HB       ARG  63   3.530  14.289  -0.474
  484   2HB   ARG  63          2HB       ARG  63   2.046  13.508  -0.998
  485   1HG   ARG  63          1HG       ARG  63   1.154  13.852   1.315
  486   2HG   ARG  63          2HG       ARG  63   2.586  14.829   1.647
  487   1HD   ARG  63          1HD       ARG  63   0.618  16.178   0.973
  488   2HD   ARG  63          2HD       ARG  63   2.000  16.373  -0.104
  489    HE   ARG  63           HE       ARG  63   0.170  14.342  -0.982
  490   1HH1  ARG  63          1HH1      ARG  63   0.802  17.791  -0.964
  491   2HH1  ARG  63          2HH1      ARG  63  -0.071  18.087  -2.441
  492   1HH2  ARG  63          1HH2      ARG  63  -0.949  14.720  -2.939
  493   2HH2  ARG  63          2HH2      ARG  63  -1.084  16.342  -3.559
  494    H    TYR  64           H        TYR  64   1.800  11.402  -1.511
  495    HA   TYR  64           HA       TYR  64   4.108  10.384  -2.990
  496   1HB   TYR  64          1HB       TYR  64   3.007   8.191  -3.318
  497   2HB   TYR  64          2HB       TYR  64   3.401   8.498  -1.631
  498    HD1  TYR  64           HD1      TYR  64   1.621   8.921   0.004
  499    HD2  TYR  64           HD2      TYR  64   0.708   8.028  -4.054
  500    HE1  TYR  64           HE1      TYR  64  -0.711   8.453   0.632
  501    HE2  TYR  64           HE2      TYR  64  -1.619   7.555  -3.436
  502    HH   TYR  64           HH       TYR  64  -2.896   6.905  -1.444
  503    H    GLN  65           H        GLN  65   3.981  10.821  -5.064
  504    HA   GLN  65           HA       GLN  65   1.363  11.378  -6.268
  505   1HB   GLN  65          1HB       GLN  65   4.111  11.691  -7.501
  506   2HB   GLN  65          2HB       GLN  65   2.593  12.323  -8.126
  507   1HG   GLN  65          1HG       GLN  65   2.412  13.785  -6.166
  508   2HG   GLN  65          2HG       GLN  65   3.958  13.171  -5.582
  509   1HE2  GLN  65          1HE2      GLN  65   4.984  15.123  -5.644
  510   2HE2  GLN  65          2HE2      GLN  65   5.389  15.930  -7.123
  511    H    ILE  66           H        ILE  66   0.364   9.689  -7.133
  512    HA   ILE  66           HA       ILE  66   1.984   7.409  -8.008
  513    HB   ILE  66           HB       ILE  66   0.447   6.780  -6.284
  514   1HG1  ILE  66          1HG1      ILE  66  -0.641   5.860  -8.952
  515   2HG1  ILE  66          2HG1      ILE  66   0.766   5.184  -8.141
  516   1HG2  ILE  66          1HG2      ILE  66  -1.986   7.050  -6.496
  517   2HG2  ILE  66          2HG2      ILE  66  -1.742   7.970  -7.982
  518   3HG2  ILE  66          3HG2      ILE  66  -1.142   8.598  -6.446
  519   1HD1  ILE  66          1HD1      ILE  66  -0.664   4.469  -6.286
  520   2HD1  ILE  66          2HD1      ILE  66  -1.172   3.773  -7.825
  521   3HD1  ILE  66          3HD1      ILE  66  -2.068   5.123  -7.129
  522    H    ASP  67           H        ASP  67   2.223   7.075 -10.078
  523    HA   ASP  67           HA       ASP  67   0.093   7.891 -11.932
  524   1HB   ASP  67          1HB       ASP  67   3.065   8.359 -12.185
  525   2HB   ASP  67          2HB       ASP  67   1.998   8.372 -13.585
  526    H    GLY  68           H        GLY  68  -0.718   5.885 -12.229
  527   1HA   GLY  68          1HA       GLY  68  -0.904   3.787 -13.148
  528   2HA   GLY  68          2HA       GLY  68   0.579   4.127 -14.025
  529    H    ASN  69           H        ASN  69   2.477   3.258 -13.340
  530    HA   ASN  69           HA       ASN  69   2.325   1.539 -10.944
  531   1HB   ASN  69          1HB       ASN  69   3.559  -0.173 -11.968
  532   2HB   ASN  69          2HB       ASN  69   2.443   0.343 -13.222
  533   1HD2  ASN  69          1HD2      ASN  69   3.759   2.622 -14.172
  534   2HD2  ASN  69          2HD2      ASN  69   5.263   2.143 -14.891
  535    H    THR  70           H        THR  70   3.444   4.331 -11.826
  536    HA   THR  70           HA       THR  70   6.042   3.998 -10.475
  537    HB   THR  70           HB       THR  70   5.247   6.186 -12.414
  538    HG1  THR  70           HG1      THR  70   5.908   3.704 -12.940
  539   1HG2  THR  70          1HG2      THR  70   7.936   5.487 -11.222
  540   2HG2  THR  70          2HG2      THR  70   6.941   6.865 -10.755
  541   3HG2  THR  70          3HG2      THR  70   7.615   6.775 -12.382
  542    H    VAL  71           H        VAL  71   6.327   5.090  -8.609
  543    HA   VAL  71           HA       VAL  71   4.298   7.090  -7.855
  544    HB   VAL  71           HB       VAL  71   5.447   4.994  -6.001
  545   1HG1  VAL  71          1HG1      VAL  71   4.905   7.063  -4.865
  546   2HG1  VAL  71          2HG1      VAL  71   3.745   5.808  -4.427
  547   3HG1  VAL  71          3HG1      VAL  71   3.296   7.061  -5.585
  548   1HG2  VAL  71          1HG2      VAL  71   3.203   4.003  -5.994
  549   2HG2  VAL  71          2HG2      VAL  71   3.934   3.959  -7.599
  550   3HG2  VAL  71          3HG2      VAL  71   2.695   5.159  -7.227
  551    H    THR  72           H        THR  72   5.098   8.913  -6.995
  552    HA   THR  72           HA       THR  72   7.987   8.976  -6.396
  553    HB   THR  72           HB       THR  72   6.270  11.326  -7.220
  554    HG1  THR  72           HG1      THR  72   7.051   9.294  -8.711
  555   1HG2  THR  72          1HG2      THR  72   8.442  12.372  -7.714
  556   2HG2  THR  72          2HG2      THR  72   9.266  10.924  -7.132
  557   3HG2  THR  72          3HG2      THR  72   8.323  11.910  -6.014
  558    H    VAL  73           H        VAL  73   8.402   9.124  -4.290
  559    HA   VAL  73           HA       VAL  73   6.382  10.018  -2.428
  560    HB   VAL  73           HB       VAL  73   9.251   9.209  -1.898
  561   1HG1  VAL  73          1HG1      VAL  73   8.513   8.890   0.414
  562   2HG1  VAL  73          2HG1      VAL  73   6.911   9.492  -0.012
  563   3HG1  VAL  73          3HG1      VAL  73   8.309  10.563  -0.102
  564   1HG2  VAL  73          1HG2      VAL  73   6.710   7.587  -1.719
  565   2HG2  VAL  73          2HG2      VAL  73   8.313   7.046  -1.215
  566   3HG2  VAL  73          3HG2      VAL  73   7.990   7.390  -2.916
  567    H    THR  74           H        THR  74   6.095  12.066  -1.924
  568    HA   THR  74           HA       THR  74   8.260  13.973  -2.485
  569    HB   THR  74           HB       THR  74   5.323  14.583  -2.099
  570    HG1  THR  74           HG1      THR  74   6.463  13.297  -4.113
  571   1HG2  THR  74          1HG2      THR  74   7.591  16.156  -3.328
  572   2HG2  THR  74          2HG2      THR  74   6.785  16.504  -1.798
  573   3HG2  THR  74          3HG2      THR  74   5.899  16.655  -3.316
  574    H    ALA  75           H        ALA  75   9.094  15.194  -0.873
  575    HA   ALA  75           HA       ALA  75   8.261  14.559   1.829
  576   1HB   ALA  75          1HB       ALA  75  10.655  16.134   0.887
  577   2HB   ALA  75          2HB       ALA  75  10.651  14.402   1.216
  578   3HB   ALA  75          3HB       ALA  75  10.360  15.548   2.524
  579    H    SER  76           H        SER  76   7.832  16.205   3.388
  580    HA   SER  76           HA       SER  76   6.881  18.702   2.156
  581   1HB   SER  76          1HB       SER  76   5.155  17.182   3.232
  582   2HB   SER  76          2HB       SER  76   5.933  17.527   4.778
  583    HG   SER  76           HG       SER  76   4.945  19.531   3.021
  584    H    ALA  77           H        ALA  77   8.109  20.394   2.571
  585    HA   ALA  77           HA       ALA  77   9.957  20.350   4.818
  586   1HB   ALA  77          1HB       ALA  77  10.785  21.058   2.629
  587   2HB   ALA  77          2HB       ALA  77  10.918  22.358   3.814
  588   3HB   ALA  77          3HB       ALA  77   9.623  22.384   2.617
  589    H    ALA  78           H        ALA  78   7.911  22.936   3.490
  590    HA   ALA  78           HA       ALA  78   6.244  23.313   5.691
  591   1HB   ALA  78          1HB       ALA  78   7.185  25.337   6.711
  592   2HB   ALA  78          2HB       ALA  78   8.621  25.181   5.697
  593   3HB   ALA  78          3HB       ALA  78   8.264  23.955   6.915
  594    H    ALA  79           H        ALA  79   8.145  25.692   3.869
  595    HA   ALA  79           HA       ALA  79   5.732  26.343   2.316
  596   1HB   ALA  79          1HB       ALA  79   6.260  28.725   2.503
  597   2HB   ALA  79          2HB       ALA  79   7.613  28.342   3.567
  598   3HB   ALA  79          3HB       ALA  79   5.962  28.008   4.088
  599    H    LYS  80           H        LYS  80   7.558  24.659   1.325
  600    HA   LYS  80           HA       LYS  80   9.103  26.298  -0.573
  601   1HB   LYS  80          1HB       LYS  80   9.736  23.492   0.372
  602   2HB   LYS  80          2HB       LYS  80  10.669  24.417  -0.791
  603   1HG   LYS  80          1HG       LYS  80  10.280  25.151   2.102
  604   2HG   LYS  80          2HG       LYS  80  11.703  24.359   1.426
  605   1HD   LYS  80          1HD       LYS  80  12.061  26.320  -0.033
  606   2HD   LYS  80          2HD       LYS  80  10.684  27.117   0.735
  607   1HE   LYS  80          1HE       LYS  80  12.694  27.923   1.767
  608   2HE   LYS  80          2HE       LYS  80  11.853  26.889   2.921
  609   1HZ   LYS  80          1HZ       LYS  80  14.231  26.187   1.287
  610   2HZ   LYS  80          2HZ       LYS  80  13.367  25.066   2.218
  611   3HZ   LYS  80          3HZ       LYS  80  14.162  26.356   2.972
  612    H    ASP  81           H        ASP  81   6.931  26.273  -1.697
  613    HA   ASP  81           HA       ASP  81   6.232  23.726  -2.913
  614   1HB   ASP  81          1HB       ASP  81   4.479  25.373  -2.169
  615   2HB   ASP  81          2HB       ASP  81   5.019  26.442  -3.460
  616    H    GLY  82           H        GLY  82   7.629  23.097  -4.382
  617   1HA   GLY  82          1HA       GLY  82   7.821  24.065  -6.926
  618   2HA   GLY  82          2HA       GLY  82   9.104  24.892  -6.047
  Start of MODEL    4
    1   1H    SER   1          1H        SER   1  -8.895  -3.105  -9.081
    2   2H    SER   1          2H        SER   1  -7.406  -3.669  -8.501
    3   3H    SER   1          3H        SER   1  -8.847  -4.379  -7.961
    4    HA   SER   1           HA       SER   1  -9.317  -5.223 -10.140
    5   1HB   SER   1          1HB       SER   1  -6.649  -3.984 -10.868
    6   2HB   SER   1          2HB       SER   1  -7.622  -5.013 -11.923
    7    HG   SER   1           HG       SER   1  -9.275  -3.454 -11.827
    8    H    GLN   2           H        GLN   2  -6.000  -5.041  -8.860
    9    HA   GLN   2           HA       GLN   2  -6.166  -7.906  -8.264
   10   1HB   GLN   2          1HB       GLN   2  -3.855  -6.520  -9.634
   11   2HB   GLN   2          2HB       GLN   2  -3.761  -8.132  -8.937
   12   1HG   GLN   2          1HG       GLN   2  -5.490  -8.899 -10.483
   13   2HG   GLN   2          2HG       GLN   2  -5.572  -7.284 -11.185
   14   1HE2  GLN   2          1HE2      GLN   2  -2.677  -6.896 -10.953
   15   2HE2  GLN   2          2HE2      GLN   2  -1.974  -7.839 -12.219
   16    H    GLU   3           H        GLU   3  -5.480  -8.397  -6.276
   17    HA   GLU   3           HA       GLU   3  -4.251  -6.240  -4.699
   18   1HB   GLU   3          1HB       GLU   3  -5.615  -8.782  -3.787
   19   2HB   GLU   3          2HB       GLU   3  -4.942  -7.551  -2.726
   20   1HG   GLU   3          1HG       GLU   3  -6.555  -5.927  -3.659
   21   2HG   GLU   3          2HG       GLU   3  -7.267  -7.231  -4.611
   22    H    TRP   4           H        TRP   4  -2.593  -6.878  -3.154
   23    HA   TRP   4           HA       TRP   4  -1.029  -9.205  -4.044
   24   1HB   TRP   4          1HB       TRP   4  -0.044  -6.424  -3.387
   25   2HB   TRP   4          2HB       TRP   4   1.019  -7.825  -3.445
   26    HD1  TRP   4           HD1      TRP   4   1.470  -8.926  -5.856
   27    HE1  TRP   4           HE1      TRP   4   1.315  -7.941  -8.227
   28    HE3  TRP   4           HE3      TRP   4  -1.340  -4.776  -4.828
   29    HZ2  TRP   4           HZ2      TRP   4   0.157  -5.698  -9.495
   30    HZ3  TRP   4           HZ3      TRP   4  -1.924  -3.261  -6.677
   31    HH2  TRP   4           HH2      TRP   4  -1.188  -3.715  -8.962
   32    H    THR   5           H        THR   5   0.058 -10.330  -2.437
   33    HA   THR   5           HA       THR   5  -0.683  -9.628   0.312
   34    HB   THR   5           HB       THR   5   0.642 -12.145  -0.744
   35    HG1  THR   5           HG1      THR   5  -1.444 -12.309  -1.391
   36   1HG2  THR   5          1HG2      THR   5  -0.491 -11.504   1.984
   37   2HG2  THR   5          2HG2      THR   5   1.218 -11.686   1.591
   38   3HG2  THR   5          3HG2      THR   5   0.136 -13.073   1.473
   39    H    LEU   6           H        LEU   6   0.661  -8.095   0.987
   40    HA   LEU   6           HA       LEU   6   3.384  -8.006  -0.023
   41   1HB   LEU   6          1HB       LEU   6   1.859  -6.052   1.702
   42   2HB   LEU   6          2HB       LEU   6   3.434  -5.769   0.982
   43    HG   LEU   6           HG       LEU   6   0.883  -6.227  -0.570
   44   1HD1  LEU   6          1HD1      LEU   6   1.048  -3.847  -1.124
   45   2HD1  LEU   6          2HD1      LEU   6   2.420  -3.692  -0.031
   46   3HD1  LEU   6          3HD1      LEU   6   0.829  -4.101   0.608
   47   1HD2  LEU   6          1HD2      LEU   6   2.890  -6.969  -1.759
   48   2HD2  LEU   6          2HD2      LEU   6   3.631  -5.392  -1.491
   49   3HD2  LEU   6          3HD2      LEU   6   2.195  -5.530  -2.503
   50    H    ASP   7           H        ASP   7   5.188  -7.694   1.303
   51    HA   ASP   7           HA       ASP   7   4.897  -8.275   4.165
   52   1HB   ASP   7          1HB       ASP   7   5.600 -10.363   3.035
   53   2HB   ASP   7          2HB       ASP   7   6.969  -9.514   2.329
   54    H    ILE   8           H        ILE   8   5.374  -6.290   4.889
   55    HA   ILE   8           HA       ILE   8   7.572  -4.827   3.613
   56    HB   ILE   8           HB       ILE   8   5.212  -3.780   5.187
   57   1HG1  ILE   8          1HG1      ILE   8   4.624  -4.556   2.940
   58   2HG1  ILE   8          2HG1      ILE   8   4.522  -2.802   3.033
   59   1HG2  ILE   8          1HG2      ILE   8   7.151  -2.388   5.592
   60   2HG2  ILE   8          2HG2      ILE   8   6.019  -1.541   4.536
   61   3HG2  ILE   8          3HG2      ILE   8   7.471  -2.283   3.861
   62   1HD1  ILE   8          1HD1      ILE   8   5.518  -3.531   0.942
   63   2HD1  ILE   8          2HD1      ILE   8   6.790  -4.373   1.828
   64   3HD1  ILE   8          3HD1      ILE   8   6.674  -2.615   1.907
   65    HA   PRO   9           HA       PRO   9   9.981  -5.464   7.322
   66   1HB   PRO   9          1HB       PRO   9  11.474  -3.209   6.084
   67   2HB   PRO   9          2HB       PRO   9  12.064  -4.775   6.647
   68   1HG   PRO   9          1HG       PRO   9  11.817  -4.274   4.047
   69   2HG   PRO   9          2HG       PRO   9  11.407  -5.867   4.710
   70   1HD   PRO   9          1HD       PRO   9   9.597  -3.645   3.859
   71   2HD   PRO   9          2HD       PRO   9   9.401  -5.399   3.662
   72    H    ALA  10           H        ALA  10  10.625  -4.205   9.157
   73    HA   ALA  10           HA       ALA  10   9.068  -1.716   9.475
   74   1HB   ALA  10          1HB       ALA  10   8.108  -3.564  10.766
   75   2HB   ALA  10          2HB       ALA  10   8.756  -2.310  11.825
   76   3HB   ALA  10          3HB       ALA  10   9.655  -3.806  11.574
   77    H    GLN  11           H        GLN  11  11.833  -2.162   8.624
   78    HA   GLN  11           HA       GLN  11  13.267  -0.832  10.817
   79   1HB   GLN  11          1HB       GLN  11  14.422  -2.295   8.429
   80   2HB   GLN  11          2HB       GLN  11  15.337  -1.603   9.761
   81   1HG   GLN  11          1HG       GLN  11  15.289  -3.782  10.403
   82   2HG   GLN  11          2HG       GLN  11  13.828  -3.198  11.197
   83   1HE2  GLN  11          1HE2      GLN  11  14.218  -3.824   7.761
   84   2HE2  GLN  11          2HE2      GLN  11  13.087  -5.138   7.691
   85    H    SER  12           H        SER  12  15.355  -0.130   8.743
   86    HA   SER  12           HA       SER  12  14.678   2.492   8.234
   87   1HB   SER  12          1HB       SER  12  16.469   0.791   6.484
   88   2HB   SER  12          2HB       SER  12  16.564   2.532   6.739
   89    HG   SER  12           HG       SER  12  17.789   0.645   8.099
   90    H    MET  13           H        MET  13  13.376   3.469   6.905
   91    HA   MET  13           HA       MET  13  11.428   2.333   5.359
   92   1HB   MET  13          1HB       MET  13  11.543   4.702   6.130
   93   2HB   MET  13          2HB       MET  13  12.709   5.023   4.855
   94   1HG   MET  13          1HG       MET  13  10.618   5.779   4.076
   95   2HG   MET  13          2HG       MET  13  10.970   4.284   3.211
   96   1HE   MET  13          1HE       MET  13   9.700   4.795   6.909
   97   2HE   MET  13          2HE       MET  13   7.958   4.649   6.685
   98   3HE   MET  13          3HE       MET  13   8.826   6.014   5.983
   99    H    ASN  14           H        ASN  14  14.683   3.170   4.402
  100    HA   ASN  14           HA       ASN  14  14.465   3.058   1.630
  101   1HB   ASN  14          1HB       ASN  14  16.754   2.401   3.475
  102   2HB   ASN  14          2HB       ASN  14  16.914   2.362   1.721
  103   1HD2  ASN  14          1HD2      ASN  14  16.862   4.270   0.569
  104   2HD2  ASN  14          2HD2      ASN  14  17.052   5.810   1.326
  105    H    SER  15           H        SER  15  14.656   0.442   3.969
  106    HA   SER  15           HA       SER  15  15.218  -1.565   1.978
  107   1HB   SER  15          1HB       SER  15  14.224  -2.021   4.802
  108   2HB   SER  15          2HB       SER  15  15.154  -3.122   3.785
  109    HG   SER  15           HG       SER  15  16.881  -1.530   3.884
  110    H    ALA  16           H        ALA  16  12.462  -0.512   3.920
  111    HA   ALA  16           HA       ALA  16  10.676  -2.523   3.107
  112   1HB   ALA  16          1HB       ALA  16  10.052   0.240   4.127
  113   2HB   ALA  16          2HB       ALA  16  10.389  -1.171   5.130
  114   3HB   ALA  16          3HB       ALA  16   8.954  -1.138   4.102
  115    H    LEU  17           H        LEU  17  11.217   0.770   1.876
  116    HA   LEU  17           HA       LEU  17   9.124   0.693  -0.023
  117   1HB   LEU  17          1HB       LEU  17  11.652   2.332   0.064
  118   2HB   LEU  17          2HB       LEU  17  10.386   2.561  -1.127
  119    HG   LEU  17           HG       LEU  17  10.099   2.927   1.856
  120   1HD1  LEU  17          1HD1      LEU  17  10.112   4.910  -0.415
  121   2HD1  LEU  17          2HD1      LEU  17  11.371   4.708   0.802
  122   3HD1  LEU  17          3HD1      LEU  17   9.774   5.287   1.275
  123   1HD2  LEU  17          1HD2      LEU  17   7.857   3.775   1.312
  124   2HD2  LEU  17          2HD2      LEU  17   8.044   2.070   0.900
  125   3HD2  LEU  17          3HD2      LEU  17   8.095   3.295  -0.367
  126    H    GLN  18           H        GLN  18  12.584  -0.060  -0.274
  127    HA   GLN  18           HA       GLN  18  12.593  -0.648  -3.016
  128   1HB   GLN  18          1HB       GLN  18  14.637  -0.351  -1.624
  129   2HB   GLN  18          2HB       GLN  18  14.320  -1.913  -0.881
  130   1HG   GLN  18          1HG       GLN  18  14.531  -2.986  -3.076
  131   2HG   GLN  18          2HG       GLN  18  14.892  -1.417  -3.795
  132   1HE2  GLN  18          1HE2      GLN  18  16.030  -2.438  -0.653
  133   2HE2  GLN  18          2HE2      GLN  18  17.706  -2.537  -1.078
  134    H    ALA  19           H        ALA  19  11.821  -2.612  -0.202
  135    HA   ALA  19           HA       ALA  19  11.604  -5.096  -1.526
  136   1HB   ALA  19          1HB       ALA  19  11.760  -4.932   0.903
  137   2HB   ALA  19          2HB       ALA  19  10.305  -5.811   0.430
  138   3HB   ALA  19          3HB       ALA  19  10.187  -4.132   0.961
  139    H    LEU  20           H        LEU  20   9.298  -2.478  -0.958
  140    HA   LEU  20           HA       LEU  20   6.991  -3.898  -1.830
  141   1HB   LEU  20          1HB       LEU  20   6.825  -1.934  -0.390
  142   2HB   LEU  20          2HB       LEU  20   7.550  -0.933  -1.632
  143    HG   LEU  20           HG       LEU  20   5.580  -1.367  -3.082
  144   1HD1  LEU  20          1HD1      LEU  20   4.457  -2.695  -0.622
  145   2HD1  LEU  20          2HD1      LEU  20   4.900  -3.504  -2.127
  146   3HD1  LEU  20          3HD1      LEU  20   3.573  -2.340  -2.107
  147   1HD2  LEU  20          1HD2      LEU  20   5.677   0.658  -1.763
  148   2HD2  LEU  20          2HD2      LEU  20   5.006  -0.186  -0.369
  149   3HD2  LEU  20          3HD2      LEU  20   4.020   0.054  -1.812
  150    H    ALA  21           H        ALA  21   9.460  -1.988  -3.356
  151    HA   ALA  21           HA       ALA  21   8.171  -1.461  -5.823
  152   1HB   ALA  21          1HB       ALA  21  10.157  -0.235  -5.085
  153   2HB   ALA  21          2HB       ALA  21  10.406  -0.968  -6.670
  154   3HB   ALA  21          3HB       ALA  21  11.121  -1.703  -5.235
  155    H    LYS  22           H        LYS  22  10.366  -4.016  -4.746
  156    HA   LYS  22           HA       LYS  22  10.496  -5.451  -7.162
  157   1HB   LYS  22          1HB       LYS  22  10.646  -6.647  -4.393
  158   2HB   LYS  22          2HB       LYS  22  11.367  -7.274  -5.867
  159   1HG   LYS  22          1HG       LYS  22  12.150  -4.702  -4.516
  160   2HG   LYS  22          2HG       LYS  22  13.002  -6.238  -4.359
  161   1HD   LYS  22          1HD       LYS  22  13.445  -6.232  -6.771
  162   2HD   LYS  22          2HD       LYS  22  12.603  -4.687  -6.917
  163   1HE   LYS  22          1HE       LYS  22  14.230  -3.647  -5.432
  164   2HE   LYS  22          2HE       LYS  22  15.057  -5.192  -5.237
  165   1HZ   LYS  22          1HZ       LYS  22  14.774  -3.694  -7.788
  166   2HZ   LYS  22          2HZ       LYS  22  15.579  -5.173  -7.592
  167   3HZ   LYS  22          3HZ       LYS  22  16.178  -3.777  -6.833
  168    H    GLN  23           H        GLN  23   8.378  -5.790  -4.343
  169    HA   GLN  23           HA       GLN  23   7.124  -8.182  -5.085
  170   1HB   GLN  23          1HB       GLN  23   6.039  -5.941  -3.367
  171   2HB   GLN  23          2HB       GLN  23   5.423  -7.589  -3.411
  172   1HG   GLN  23          1HG       GLN  23   7.420  -8.450  -2.457
  173   2HG   GLN  23          2HG       GLN  23   8.246  -6.905  -2.649
  174   1HE2  GLN  23          1HE2      GLN  23   7.939  -8.433  -0.249
  175   2HE2  GLN  23          2HE2      GLN  23   7.098  -7.428   0.879
  176    H    THR  24           H        THR  24   6.393  -4.866  -6.006
  177    HA   THR  24           HA       THR  24   3.986  -5.855  -7.388
  178    HB   THR  24           HB       THR  24   3.333  -3.415  -7.470
  179    HG1  THR  24           HG1      THR  24   5.306  -3.113  -5.431
  180   1HG2  THR  24          1HG2      THR  24   3.676  -4.700  -4.756
  181   2HG2  THR  24          2HG2      THR  24   2.323  -4.943  -5.861
  182   3HG2  THR  24          3HG2      THR  24   2.583  -3.365  -5.118
  183    H    ASP  25           H        ASP  25   7.107  -5.089  -7.939
  184    HA   ASP  25           HA       ASP  25   8.407  -4.590  -9.718
  185   1HB   ASP  25          1HB       ASP  25   6.873  -6.457 -10.653
  186   2HB   ASP  25          2HB       ASP  25   6.080  -5.158 -11.538
  187    H    THR  26           H        THR  26   7.247  -2.433  -8.498
  188    HA   THR  26           HA       THR  26   6.360  -0.681 -10.686
  189    HB   THR  26           HB       THR  26   5.648   0.836  -8.766
  190    HG1  THR  26           HG1      THR  26   5.463  -1.363  -7.083
  191   1HG2  THR  26          1HG2      THR  26   4.054  -0.503 -10.071
  192   2HG2  THR  26          2HG2      THR  26   3.568  -0.394  -8.377
  193   3HG2  THR  26          3HG2      THR  26   4.319  -1.869  -8.987
  194    H    GLN  27           H        GLN  27   6.987   1.692 -10.233
  195    HA   GLN  27           HA       GLN  27   9.827   1.797  -9.476
  196   1HB   GLN  27          1HB       GLN  27   8.203   3.451 -11.400
  197   2HB   GLN  27          2HB       GLN  27   9.745   4.016 -10.775
  198   1HG   GLN  27          1HG       GLN  27   9.338   1.442 -12.278
  199   2HG   GLN  27          2HG       GLN  27   9.921   2.947 -12.986
  200   1HE2  GLN  27          1HE2      GLN  27  11.242   0.366 -12.840
  201   2HE2  GLN  27          2HE2      GLN  27  12.725   0.622 -11.980
  202    H    LEU  28           H        LEU  28  10.146   2.567  -7.516
  203    HA   LEU  28           HA       LEU  28   8.246   4.540  -6.455
  204   1HB   LEU  28          1HB       LEU  28  10.057   2.642  -4.959
  205   2HB   LEU  28          2HB       LEU  28   9.001   3.825  -4.213
  206    HG   LEU  28           HG       LEU  28   8.150   1.399  -5.796
  207   1HD1  LEU  28          1HD1      LEU  28   8.951   0.924  -3.545
  208   2HD1  LEU  28          2HD1      LEU  28   7.212   0.659  -3.678
  209   3HD1  LEU  28          3HD1      LEU  28   7.827   2.114  -2.888
  210   1HD2  LEU  28          1HD2      LEU  28   6.635   3.260  -6.221
  211   2HD2  LEU  28          2HD2      LEU  28   6.465   3.529  -4.486
  212   3HD2  LEU  28          3HD2      LEU  28   5.865   2.038  -5.211
  213    H    LEU  29           H        LEU  29   9.001   6.528  -6.500
  214    HA   LEU  29           HA       LEU  29  11.905   6.938  -6.402
  215   1HB   LEU  29          1HB       LEU  29   9.679   8.532  -7.643
  216   2HB   LEU  29          2HB       LEU  29  11.231   9.264  -7.300
  217    HG   LEU  29           HG       LEU  29  11.213   8.645  -9.600
  218   1HD1  LEU  29          1HD1      LEU  29  13.080   7.061  -9.720
  219   2HD1  LEU  29          2HD1      LEU  29  12.828   6.649  -8.023
  220   3HD1  LEU  29          3HD1      LEU  29  13.319   8.284  -8.471
  221   1HD2  LEU  29          1HD2      LEU  29   9.417   7.028  -9.594
  222   2HD2  LEU  29          2HD2      LEU  29  10.412   5.883  -8.698
  223   3HD2  LEU  29          3HD2      LEU  29  10.849   6.327 -10.349
  224    H    TYR  30           H        TYR  30  12.695   7.690  -4.600
  225    HA   TYR  30           HA       TYR  30  11.219   9.624  -3.017
  226   1HB   TYR  30          1HB       TYR  30  11.447   8.353  -0.938
  227   2HB   TYR  30          2HB       TYR  30  10.492   7.444  -2.104
  228    HD1  TYR  30           HD1      TYR  30  11.496   5.473  -3.250
  229    HD2  TYR  30           HD2      TYR  30  13.522   7.518  -0.114
  230    HE1  TYR  30           HE1      TYR  30  12.997   3.548  -2.970
  231    HE2  TYR  30           HE2      TYR  30  15.028   5.597   0.173
  232    HH   TYR  30           HH       TYR  30  15.198   3.048  -2.097
  233    H    SER  31           H        SER  31  12.582  10.764  -1.554
  234    HA   SER  31           HA       SER  31  15.405  10.592  -2.280
  235   1HB   SER  31          1HB       SER  31  14.235  12.786  -2.458
  236   2HB   SER  31          2HB       SER  31  13.940  12.741  -0.720
  237    HG   SER  31           HG       SER  31  15.775  13.861  -0.824
  238    HA   PRO  32           HA       PRO  32  15.798   8.233   1.574
  239   1HB   PRO  32          1HB       PRO  32  18.545   7.977   1.254
  240   2HB   PRO  32          2HB       PRO  32  17.337   6.841   0.648
  241   1HG   PRO  32          1HG       PRO  32  18.783   9.020  -0.783
  242   2HG   PRO  32          2HG       PRO  32  18.306   7.416  -1.367
  243   1HD   PRO  32          1HD       PRO  32  16.958   9.632  -2.067
  244   2HD   PRO  32          2HD       PRO  32  16.135   8.081  -1.802
  245    H    GLU  33           H        GLU  33  17.682  10.989   0.504
  246    HA   GLU  33           HA       GLU  33  18.810  11.607   3.042
  247   1HB   GLU  33          1HB       GLU  33  19.712  12.395   0.851
  248   2HB   GLU  33          2HB       GLU  33  18.312  13.447   0.693
  249   1HG   GLU  33          1HG       GLU  33  20.291  14.645   1.478
  250   2HG   GLU  33          2HG       GLU  33  18.977  14.685   2.655
  251    H    ASP  34           H        ASP  34  15.831  12.438   1.391
  252    HA   ASP  34           HA       ASP  34  15.235  14.570   3.257
  253   1HB   ASP  34          1HB       ASP  34  13.924  13.556   0.766
  254   2HB   ASP  34          2HB       ASP  34  13.053  14.632   1.856
  255    H    ILE  35           H        ILE  35  14.865  11.279   3.428
  256    HA   ILE  35           HA       ILE  35  12.318  11.471   4.856
  257    HB   ILE  35           HB       ILE  35  12.323   9.027   4.937
  258   1HG1  ILE  35          1HG1      ILE  35  14.886   9.192   3.338
  259   2HG1  ILE  35          2HG1      ILE  35  14.778   8.702   5.026
  260   1HG2  ILE  35          1HG2      ILE  35  11.295  10.133   3.040
  261   2HG2  ILE  35          2HG2      ILE  35  12.025   8.607   2.542
  262   3HG2  ILE  35          3HG2      ILE  35  12.835  10.131   2.181
  263   1HD1  ILE  35          1HD1      ILE  35  14.986   6.772   3.580
  264   2HD1  ILE  35          2HD1      ILE  35  13.557   7.271   2.675
  265   3HD1  ILE  35          3HD1      ILE  35  13.406   6.783   4.363
  266    H    GLY  36           H        GLY  36  15.561  11.702   5.503
  267   1HA   GLY  36          1HA       GLY  36  16.702  11.937   7.475
  268   2HA   GLY  36          2HA       GLY  36  15.137  11.999   8.264
  269    H    GLY  37           H        GLY  37  15.726   9.131   6.491
  270   1HA   GLY  37          1HA       GLY  37  16.206   6.973   7.124
  271   2HA   GLY  37          2HA       GLY  37  17.160   7.652   8.432
  272    H    LEU  38           H        LEU  38  13.683   7.706   7.676
  273    HA   LEU  38           HA       LEU  38  13.019   7.142  10.432
  274   1HB   LEU  38          1HB       LEU  38  11.281   7.418   7.973
  275   2HB   LEU  38          2HB       LEU  38  10.671   7.213   9.602
  276    HG   LEU  38           HG       LEU  38  12.282   9.569   8.620
  277   1HD1  LEU  38          1HD1      LEU  38   9.354   9.311   9.300
  278   2HD1  LEU  38          2HD1      LEU  38  10.035   9.537   7.690
  279   3HD1  LEU  38          3HD1      LEU  38  10.188  10.811   8.899
  280   1HD2  LEU  38          1HD2      LEU  38  10.958   9.057  11.281
  281   2HD2  LEU  38          2HD2      LEU  38  11.733  10.563  10.788
  282   3HD2  LEU  38          3HD2      LEU  38  12.694   9.094  10.973
  283    H    ARG  39           H        ARG  39  11.470   5.366  10.960
  284    HA   ARG  39           HA       ARG  39  12.164   2.925   9.479
  285   1HB   ARG  39          1HB       ARG  39  11.104   1.732  11.416
  286   2HB   ARG  39          2HB       ARG  39  12.535   2.659  11.826
  287   1HG   ARG  39          1HG       ARG  39  11.261   4.340  12.891
  288   2HG   ARG  39          2HG       ARG  39   9.752   3.716  12.216
  289   1HD   ARG  39          1HD       ARG  39  10.150   3.157  14.629
  290   2HD   ARG  39          2HD       ARG  39   9.842   1.779  13.575
  291    HE   ARG  39           HE       ARG  39  12.626   2.271  13.823
  292   1HH1  ARG  39          1HH1      ARG  39   9.906   0.953  15.591
  293   2HH1  ARG  39          2HH1      ARG  39  10.866  -0.214  16.449
  294   1HH2  ARG  39          1HH2      ARG  39  13.896   0.746  14.938
  295   2HH2  ARG  39          2HH2      ARG  39  13.138  -0.333  16.081
  296    H    SER  40           H        SER  40  10.582   1.517   8.746
  297    HA   SER  40           HA       SER  40   8.143   2.864   7.950
  298   1HB   SER  40          1HB       SER  40   7.867   0.690   6.615
  299   2HB   SER  40          2HB       SER  40   9.194   1.763   6.164
  300    HG   SER  40           HG       SER  40   9.253  -0.775   7.251
  301    H    SER  41           H        SER  41   6.086   2.052   8.245
  302    HA   SER  41           HA       SER  41   5.686   0.488  10.653
  303   1HB   SER  41          1HB       SER  41   4.335   2.540  10.200
  304   2HB   SER  41          2HB       SER  41   3.650   1.746   8.784
  305    HG   SER  41           HG       SER  41   2.529   1.698  10.998
  306    H    ALA  42           H        ALA  42   5.452  -1.639  10.600
  307    HA   ALA  42           HA       ALA  42   5.608  -3.147   8.255
  308   1HB   ALA  42          1HB       ALA  42   4.630  -4.046  10.960
  309   2HB   ALA  42          2HB       ALA  42   6.320  -3.954  10.463
  310   3HB   ALA  42          3HB       ALA  42   5.224  -5.081   9.661
  311    H    LEU  43           H        LEU  43   4.051  -2.820   6.758
  312    HA   LEU  43           HA       LEU  43   1.302  -3.528   7.533
  313   1HB   LEU  43          1HB       LEU  43   1.603  -1.193   6.695
  314   2HB   LEU  43          2HB       LEU  43   2.182  -1.855   5.178
  315    HG   LEU  43           HG       LEU  43  -0.031  -2.945   4.859
  316   1HD1  LEU  43          1HD1      LEU  43  -1.906  -2.207   6.251
  317   2HD1  LEU  43          2HD1      LEU  43  -0.779  -1.345   7.300
  318   3HD1  LEU  43          3HD1      LEU  43  -0.709  -3.104   7.184
  319   1HD2  LEU  43          1HD2      LEU  43   0.472  -0.796   3.816
  320   2HD2  LEU  43          2HD2      LEU  43  -0.105   0.043   5.259
  321   3HD2  LEU  43          3HD2      LEU  43  -1.229  -0.899   4.276
  322    H    LYS  44           H        LYS  44   1.743  -5.748   7.257
  323    HA   LYS  44           HA       LYS  44   2.221  -6.521   4.461
  324   1HB   LYS  44          1HB       LYS  44   3.150  -8.663   5.394
  325   2HB   LYS  44          2HB       LYS  44   4.114  -7.230   5.699
  326   1HG   LYS  44          1HG       LYS  44   3.110  -7.130   7.978
  327   2HG   LYS  44          2HG       LYS  44   2.351  -8.689   7.642
  328   1HD   LYS  44          1HD       LYS  44   4.585  -9.641   7.195
  329   2HD   LYS  44          2HD       LYS  44   5.305  -8.094   7.643
  330   1HE   LYS  44          1HE       LYS  44   4.322  -8.299   9.880
  331   2HE   LYS  44          2HE       LYS  44   3.637  -9.861   9.426
  332   1HZ   LYS  44          1HZ       LYS  44   6.497  -9.143   9.731
  333   2HZ   LYS  44          2HZ       LYS  44   5.992 -10.550   8.927
  334   3HZ   LYS  44          3HZ       LYS  44   5.616 -10.333  10.567
  335    H    GLY  45           H        GLY  45   0.590  -7.424   3.498
  336   1HA   GLY  45          1HA       GLY  45  -1.030  -9.463   4.433
  337   2HA   GLY  45          2HA       GLY  45  -1.855  -7.960   4.833
  338    H    ARG  46           H        ARG  46  -3.517  -8.765   3.350
  339    HA   ARG  46           HA       ARG  46  -2.733  -8.566   0.520
  340   1HB   ARG  46          1HB       ARG  46  -3.821 -10.667   1.051
  341   2HB   ARG  46          2HB       ARG  46  -5.176  -9.818   1.786
  342   1HG   ARG  46          1HG       ARG  46  -5.749  -8.851  -0.382
  343   2HG   ARG  46          2HG       ARG  46  -4.395  -9.709  -1.121
  344   1HD   ARG  46          1HD       ARG  46  -5.406 -11.841  -0.523
  345   2HD   ARG  46          2HD       ARG  46  -6.740 -10.999   0.266
  346    HE   ARG  46           HE       ARG  46  -7.227 -10.052  -2.015
  347   1HH1  ARG  46          1HH1      ARG  46  -5.612 -13.126  -1.590
  348   2HH1  ARG  46          2HH1      ARG  46  -6.144 -13.771  -3.112
  349   1HH2  ARG  46          1HH2      ARG  46  -7.963 -10.903  -4.013
  350   2HH2  ARG  46          2HH2      ARG  46  -7.523 -12.526  -4.467
  351    H    HIS  47           H        HIS  47  -2.962  -6.555  -0.197
  352    HA   HIS  47           HA       HIS  47  -5.591  -5.355  -0.112
  353   1HB   HIS  47          1HB       HIS  47  -3.252  -4.125   1.305
  354   2HB   HIS  47          2HB       HIS  47  -4.445  -3.086   0.537
  355    HD1  HIS  47           HD1      HIS  47  -7.053  -3.847   1.320
  356    HD2  HIS  47           HD2      HIS  47  -3.861  -4.578   3.887
  357    HE1  HIS  47           HE1      HIS  47  -8.066  -4.114   3.608
  358    HE2  HIS  47           HE2      HIS  47  -6.108  -4.420   5.165
  359    H    ASP  48           H        ASP  48  -5.543  -3.210  -1.353
  360    HA   ASP  48           HA       ASP  48  -4.232  -3.657  -3.875
  361   1HB   ASP  48          1HB       ASP  48  -6.504  -2.796  -3.865
  362   2HB   ASP  48          2HB       ASP  48  -6.018  -1.419  -2.884
  363    H    LEU  49           H        LEU  49  -2.821  -2.063  -4.913
  364    HA   LEU  49           HA       LEU  49  -0.632  -1.450  -3.296
  365   1HB   LEU  49          1HB       LEU  49  -0.485  -1.799  -5.715
  366   2HB   LEU  49          2HB       LEU  49  -1.369  -0.312  -5.994
  367    HG   LEU  49           HG       LEU  49   0.491   0.962  -4.969
  368   1HD1  LEU  49          1HD1      LEU  49   1.393  -0.754  -3.514
  369   2HD1  LEU  49          2HD1      LEU  49   2.641  -0.159  -4.608
  370   3HD1  LEU  49          3HD1      LEU  49   1.871  -1.716  -4.912
  371   1HD2  LEU  49          1HD2      LEU  49   0.386   0.700  -7.378
  372   2HD2  LEU  49          2HD2      LEU  49   1.250  -0.834  -7.270
  373   3HD2  LEU  49          3HD2      LEU  49   2.062   0.671  -6.834
  374    H    GLN  50           H        GLN  50  -3.129   0.720  -4.631
  375    HA   GLN  50           HA       GLN  50  -1.991   3.119  -3.719
  376   1HB   GLN  50          1HB       GLN  50  -3.897   2.643  -5.437
  377   2HB   GLN  50          2HB       GLN  50  -4.955   2.751  -4.040
  378   1HG   GLN  50          1HG       GLN  50  -3.025   4.931  -4.766
  379   2HG   GLN  50          2HG       GLN  50  -4.648   4.841  -5.441
  380   1HE2  GLN  50          1HE2      GLN  50  -3.443   6.879  -3.757
  381   2HE2  GLN  50          2HE2      GLN  50  -4.452   7.002  -2.353
  382    H    SER  51           H        SER  51  -4.479   1.036  -2.267
  383    HA   SER  51           HA       SER  51  -4.956   2.578   0.019
  384   1HB   SER  51          1HB       SER  51  -5.433   0.124   0.977
  385   2HB   SER  51          2HB       SER  51  -6.536   0.941  -0.132
  386    HG   SER  51           HG       SER  51  -4.438  -0.702  -1.084
  387    H    SER  52           H        SER  52  -2.518   0.102  -0.593
  388    HA   SER  52           HA       SER  52  -1.452  -0.067   1.994
  389   1HB   SER  52          1HB       SER  52  -0.909  -1.640   0.143
  390   2HB   SER  52          2HB       SER  52   0.025  -0.366  -0.639
  391    HG   SER  52           HG       SER  52   1.471  -1.542   0.522
  392    H    LEU  53           H        LEU  53  -0.498   1.975  -0.765
  393    HA   LEU  53           HA       LEU  53   1.554   3.400   0.496
  394   1HB   LEU  53          1HB       LEU  53  -0.344   4.335  -1.659
  395   2HB   LEU  53          2HB       LEU  53   1.175   5.105  -1.243
  396    HG   LEU  53           HG       LEU  53   0.934   2.295  -2.323
  397   1HD1  LEU  53          1HD1      LEU  53   1.674   4.861  -3.723
  398   2HD1  LEU  53          2HD1      LEU  53   0.220   3.899  -3.998
  399   3HD1  LEU  53          3HD1      LEU  53   1.805   3.244  -4.412
  400   1HD2  LEU  53          1HD2      LEU  53   2.927   2.641  -0.973
  401   2HD2  LEU  53          2HD2      LEU  53   3.315   4.095  -1.890
  402   3HD2  LEU  53          3HD2      LEU  53   3.354   2.520  -2.680
  403    H    ARG  54           H        ARG  54  -1.910   3.946   0.345
  404    HA   ARG  54           HA       ARG  54  -2.063   6.481   1.484
  405   1HB   ARG  54          1HB       ARG  54  -3.905   5.141   0.402
  406   2HB   ARG  54          2HB       ARG  54  -4.031   4.230   1.897
  407   1HG   ARG  54          1HG       ARG  54  -4.541   6.354   3.081
  408   2HG   ARG  54          2HG       ARG  54  -4.565   7.165   1.513
  409   1HD   ARG  54          1HD       ARG  54  -6.405   5.012   2.527
  410   2HD   ARG  54          2HD       ARG  54  -6.820   6.645   2.007
  411    HE   ARG  54           HE       ARG  54  -5.817   5.629  -0.247
  412   1HH1  ARG  54          1HH1      ARG  54  -8.197   4.374   2.005
  413   2HH1  ARG  54          2HH1      ARG  54  -8.936   3.328   0.830
  414   1HH2  ARG  54          1HH2      ARG  54  -6.790   4.253  -1.792
  415   2HH2  ARG  54          2HH2      ARG  54  -8.165   3.285  -1.333
  416    H    ILE  55           H        ILE  55  -2.057   3.294   3.035
  417    HA   ILE  55           HA       ILE  55  -2.431   4.363   5.674
  418    HB   ILE  55           HB       ILE  55  -1.596   1.580   4.833
  419   1HG1  ILE  55          1HG1      ILE  55  -4.336   2.645   5.551
  420   2HG1  ILE  55          2HG1      ILE  55  -3.785   2.313   3.911
  421   1HG2  ILE  55          1HG2      ILE  55  -2.697   2.593   7.455
  422   2HG2  ILE  55          2HG2      ILE  55  -1.047   2.044   7.157
  423   3HG2  ILE  55          3HG2      ILE  55  -2.386   0.902   7.052
  424   1HD1  ILE  55          1HD1      ILE  55  -5.169   0.511   4.721
  425   2HD1  ILE  55          2HD1      ILE  55  -4.120   0.301   6.123
  426   3HD1  ILE  55          3HD1      ILE  55  -3.513  -0.053   4.504
  427    H    LEU  56           H        LEU  56   0.308   3.131   3.811
  428    HA   LEU  56           HA       LEU  56   2.109   3.020   6.004
  429   1HB   LEU  56          1HB       LEU  56   2.233   1.753   3.804
  430   2HB   LEU  56          2HB       LEU  56   2.838   3.231   3.088
  431    HG   LEU  56           HG       LEU  56   4.238   1.970   5.436
  432   1HD1  LEU  56          1HD1      LEU  56   5.692   0.811   3.838
  433   2HD1  LEU  56          2HD1      LEU  56   4.647   1.332   2.517
  434   3HD1  LEU  56          3HD1      LEU  56   4.028   0.231   3.746
  435   1HD2  LEU  56          1HD2      LEU  56   6.188   3.104   4.477
  436   2HD2  LEU  56          2HD2      LEU  56   4.892   4.246   4.836
  437   3HD2  LEU  56          3HD2      LEU  56   5.180   3.734   3.174
  438    H    LEU  57           H        LEU  57   1.489   5.450   3.494
  439    HA   LEU  57           HA       LEU  57   3.768   7.019   4.191
  440   1HB   LEU  57          1HB       LEU  57   1.483   7.324   2.321
  441   2HB   LEU  57          2HB       LEU  57   2.358   8.771   2.776
  442    HG   LEU  57           HG       LEU  57   3.178   7.861   0.664
  443   1HD1  LEU  57          1HD1      LEU  57   5.189   7.531   2.882
  444   2HD1  LEU  57          2HD1      LEU  57   4.728   9.058   2.131
  445   3HD1  LEU  57          3HD1      LEU  57   5.546   7.817   1.179
  446   1HD2  LEU  57          1HD2      LEU  57   2.692   5.516   0.961
  447   2HD2  LEU  57          2HD2      LEU  57   3.860   5.407   2.279
  448   3HD2  LEU  57          3HD2      LEU  57   4.413   5.724   0.633
  449    H    GLN  58           H        GLN  58   0.275   7.405   4.821
  450    HA   GLN  58           HA       GLN  58   0.302   9.925   5.918
  451   1HB   GLN  58          1HB       GLN  58  -1.734   9.329   7.120
  452   2HB   GLN  58          2HB       GLN  58  -1.763   8.693   5.484
  453   1HG   GLN  58          1HG       GLN  58  -1.171   6.481   6.330
  454   2HG   GLN  58          2HG       GLN  58  -1.135   7.120   7.974
  455   1HE2  GLN  58          1HE2      GLN  58  -3.132   6.224   5.288
  456   2HE2  GLN  58          2HE2      GLN  58  -4.640   6.228   6.146
  457    H    GLY  59           H        GLY  59   1.401  10.795   7.492
  458   1HA   GLY  59          1HA       GLY  59   1.628  10.829   9.961
  459   2HA   GLY  59          2HA       GLY  59   2.055   9.127   9.847
  460    H    THR  60           H        THR  60   3.539  10.004   7.260
  461    HA   THR  60           HA       THR  60   6.054  10.480   8.633
  462    HB   THR  60           HB       THR  60   7.072  10.156   6.378
  463    HG1  THR  60           HG1      THR  60   4.493   9.371   5.494
  464   1HG2  THR  60          1HG2      THR  60   6.578   7.771   6.210
  465   2HG2  THR  60          2HG2      THR  60   5.143   7.989   7.211
  466   3HG2  THR  60          3HG2      THR  60   6.744   8.253   7.900
  467    H    GLY  61           H        GLY  61   3.676  12.431   7.310
  468   1HA   GLY  61          1HA       GLY  61   3.673  14.716   6.998
  469   2HA   GLY  61          2HA       GLY  61   5.400  14.730   7.324
  470    H    LEU  62           H        LEU  62   4.808  12.445   4.995
  471    HA   LEU  62           HA       LEU  62   5.714  14.308   2.922
  472   1HB   LEU  62          1HB       LEU  62   5.880  11.296   3.061
  473   2HB   LEU  62          2HB       LEU  62   6.519  12.290   1.765
  474    HG   LEU  62           HG       LEU  62   7.462  12.392   4.635
  475   1HD1  LEU  62          1HD1      LEU  62   8.052  10.275   3.585
  476   2HD1  LEU  62          2HD1      LEU  62   9.480  11.289   3.798
  477   3HD1  LEU  62          3HD1      LEU  62   8.734  11.136   2.205
  478   1HD2  LEU  62          1HD2      LEU  62   9.267  13.769   3.757
  479   2HD2  LEU  62          2HD2      LEU  62   7.702  14.511   3.420
  480   3HD2  LEU  62          3HD2      LEU  62   8.574  13.670   2.139
  481    H    ARG  63           H        ARG  63   4.984  13.794   0.684
  482    HA   ARG  63           HA       ARG  63   2.151  12.974   0.689
  483   1HB   ARG  63          1HB       ARG  63   3.498  14.974  -1.137
  484   2HB   ARG  63          2HB       ARG  63   1.797  14.533  -1.162
  485   1HG   ARG  63          1HG       ARG  63   1.523  15.473   1.075
  486   2HG   ARG  63          2HG       ARG  63   3.229  15.923   1.092
  487   1HD   ARG  63          1HD       ARG  63   2.825  17.302  -0.937
  488   2HD   ARG  63          2HD       ARG  63   1.108  16.932  -0.797
  489    HE   ARG  63           HE       ARG  63   2.088  18.022   1.626
  490   1HH1  ARG  63          1HH1      ARG  63   1.147  18.912  -1.622
  491   2HH1  ARG  63          2HH1      ARG  63   0.775  20.559  -1.211
  492   1HH2  ARG  63          1HH2      ARG  63   1.608  20.186   2.176
  493   2HH2  ARG  63          2HH2      ARG  63   1.088  21.299   0.942
  494    H    TYR  64           H        TYR  64   1.574  11.403  -0.672
  495    HA   TYR  64           HA       TYR  64   3.672  10.342  -2.428
  496   1HB   TYR  64          1HB       TYR  64   2.290   8.256  -2.500
  497   2HB   TYR  64          2HB       TYR  64   2.891   8.668  -0.901
  498    HD1  TYR  64           HD1      TYR  64   1.313   9.625   0.787
  499    HD2  TYR  64           HD2      TYR  64  -0.044   8.076  -2.935
  500    HE1  TYR  64           HE1      TYR  64  -0.967   9.461   1.692
  501    HE2  TYR  64           HE2      TYR  64  -2.327   7.910  -2.040
  502    HH   TYR  64           HH       TYR  64  -3.281   9.407   0.848
  503    H    GLN  65           H        GLN  65   3.597  10.860  -4.459
  504    HA   GLN  65           HA       GLN  65   0.985  11.367  -5.723
  505   1HB   GLN  65          1HB       GLN  65   2.678  13.206  -5.783
  506   2HB   GLN  65          2HB       GLN  65   3.742  12.149  -6.699
  507   1HG   GLN  65          1HG       GLN  65   2.595  13.716  -8.152
  508   2HG   GLN  65          2HG       GLN  65   2.115  12.058  -8.509
  509   1HE2  GLN  65          1HE2      GLN  65   1.138  15.090  -7.110
  510   2HE2  GLN  65          2HE2      GLN  65  -0.566  14.765  -7.104
  511    H    ILE  66           H        ILE  66   0.310  10.113  -7.399
  512    HA   ILE  66           HA       ILE  66   2.119   7.933  -8.188
  513    HB   ILE  66           HB       ILE  66   0.240   7.095  -6.897
  514   1HG1  ILE  66          1HG1      ILE  66  -0.046   6.431  -9.835
  515   2HG1  ILE  66          2HG1      ILE  66   1.122   5.711  -8.733
  516   1HG2  ILE  66          1HG2      ILE  66  -1.368   8.874  -7.325
  517   2HG2  ILE  66          2HG2      ILE  66  -2.066   7.294  -7.677
  518   3HG2  ILE  66          3HG2      ILE  66  -1.535   8.335  -8.996
  519   1HD1  ILE  66          1HD1      ILE  66  -0.749   4.224  -9.106
  520   2HD1  ILE  66          2HD1      ILE  66  -1.870   5.467  -8.553
  521   3HD1  ILE  66          3HD1      ILE  66  -0.714   4.761  -7.425
  522    H    ASP  67           H        ASP  67   2.592   7.681 -10.244
  523    HA   ASP  67           HA       ASP  67   0.939   8.982 -12.301
  524   1HB   ASP  67          1HB       ASP  67   2.805  10.457 -12.028
  525   2HB   ASP  67          2HB       ASP  67   3.943   9.113 -11.984
  526    H    GLY  68           H        GLY  68   0.045   7.190 -13.161
  527   1HA   GLY  68          1HA       GLY  68  -0.125   5.201 -14.304
  528   2HA   GLY  68          2HA       GLY  68   1.564   5.413 -14.751
  529    H    ASN  69           H        ASN  69   3.111   4.270 -13.723
  530    HA   ASN  69           HA       ASN  69   2.312   2.664 -11.386
  531   1HB   ASN  69          1HB       ASN  69   3.823   1.781 -13.828
  532   2HB   ASN  69          2HB       ASN  69   4.118   0.997 -12.280
  533   1HD2  ASN  69          1HD2      ASN  69   3.000  -0.143 -14.695
  534   2HD2  ASN  69          2HD2      ASN  69   1.425  -0.725 -14.271
  535    H    THR  70           H        THR  70   3.632   5.258 -11.851
  536    HA   THR  70           HA       THR  70   6.210   4.744 -10.520
  537    HB   THR  70           HB       THR  70   5.390   7.348 -11.801
  538    HG1  THR  70           HG1      THR  70   5.258   5.884 -13.472
  539   1HG2  THR  70          1HG2      THR  70   7.813   7.666 -12.000
  540   2HG2  THR  70          2HG2      THR  70   8.081   6.091 -11.255
  541   3HG2  THR  70          3HG2      THR  70   7.339   7.391 -10.323
  542    H    VAL  71           H        VAL  71   6.444   5.478  -8.453
  543    HA   VAL  71           HA       VAL  71   4.305   7.225  -7.412
  544    HB   VAL  71           HB       VAL  71   5.765   5.056  -5.886
  545   1HG1  VAL  71          1HG1      VAL  71   5.221   6.909  -4.435
  546   2HG1  VAL  71          2HG1      VAL  71   4.137   5.560  -4.095
  547   3HG1  VAL  71          3HG1      VAL  71   3.563   6.938  -5.037
  548   1HG2  VAL  71          1HG2      VAL  71   2.906   5.181  -6.840
  549   2HG2  VAL  71          2HG2      VAL  71   3.589   3.925  -5.806
  550   3HG2  VAL  71          3HG2      VAL  71   4.168   4.118  -7.462
  551    H    THR  72           H        THR  72   4.975   9.100  -6.588
  552    HA   THR  72           HA       THR  72   7.867   9.401  -6.084
  553    HB   THR  72           HB       THR  72   5.933  11.584  -6.892
  554    HG1  THR  72           HG1      THR  72   6.555   9.749  -8.456
  555   1HG2  THR  72          1HG2      THR  72   8.952  11.504  -6.832
  556   2HG2  THR  72          2HG2      THR  72   7.926  12.345  -5.671
  557   3HG2  THR  72          3HG2      THR  72   7.961  12.866  -7.357
  558    H    VAL  73           H        VAL  73   8.332   9.577  -4.010
  559    HA   VAL  73           HA       VAL  73   6.324  10.617  -2.143
  560    HB   VAL  73           HB       VAL  73   8.966   9.270  -1.537
  561   1HG1  VAL  73          1HG1      VAL  73   8.072   9.013   0.717
  562   2HG1  VAL  73          2HG1      VAL  73   6.609   9.876   0.244
  563   3HG1  VAL  73          3HG1      VAL  73   8.161  10.714   0.261
  564   1HG2  VAL  73          1HG2      VAL  73   6.181   8.106  -1.540
  565   2HG2  VAL  73          2HG2      VAL  73   7.647   7.277  -1.017
  566   3HG2  VAL  73          3HG2      VAL  73   7.455   7.749  -2.704
  567    H    THR  74           H        THR  74   6.408  12.771  -2.059
  568    HA   THR  74           HA       THR  74   9.024  14.034  -1.596
  569    HB   THR  74           HB       THR  74   8.321  14.344  -3.975
  570    HG1  THR  74           HG1      THR  74   9.612  15.975  -3.385
  571   1HG2  THR  74          1HG2      THR  74   6.464  15.861  -4.479
  572   2HG2  THR  74          2HG2      THR  74   6.056  15.938  -2.764
  573   3HG2  THR  74          3HG2      THR  74   5.900  14.415  -3.643
  574    H    ALA  75           H        ALA  75   8.770  16.270  -0.677
  575    HA   ALA  75           HA       ALA  75   6.489  16.355   1.153
  576   1HB   ALA  75          1HB       ALA  75   7.902  17.747   2.609
  577   2HB   ALA  75          2HB       ALA  75   9.222  17.597   1.449
  578   3HB   ALA  75          3HB       ALA  75   8.628  16.170   2.299
  579    H    SER  76           H        SER  76   5.201  18.154   1.209
  580    HA   SER  76           HA       SER  76   4.120  19.967   0.367
  581   1HB   SER  76          1HB       SER  76   6.933  20.962  -0.190
  582   2HB   SER  76          2HB       SER  76   5.482  21.958  -0.091
  583    HG   SER  76           HG       SER  76   6.819  21.844   1.862
  584    H    ALA  77           H        ALA  77   4.637  21.638  -1.853
  585    HA   ALA  77           HA       ALA  77   5.014  19.775  -4.087
  586   1HB   ALA  77          1HB       ALA  77   3.035  20.608  -5.218
  587   2HB   ALA  77          2HB       ALA  77   2.681  21.670  -3.855
  588   3HB   ALA  77          3HB       ALA  77   2.606  19.918  -3.652
  589    H    ALA  78           H        ALA  78   6.931  20.678  -4.717
  590    HA   ALA  78           HA       ALA  78   7.113  23.548  -5.165
  591   1HB   ALA  78          1HB       ALA  78   9.050  22.298  -4.296
  592   2HB   ALA  78          2HB       ALA  78   9.409  23.118  -5.817
  593   3HB   ALA  78          3HB       ALA  78   9.112  21.379  -5.801
  594    H    ALA  79           H        ALA  79   7.839  24.380  -7.327
  595    HA   ALA  79           HA       ALA  79   5.946  23.465  -9.267
  596   1HB   ALA  79          1HB       ALA  79   6.726  25.291 -10.649
  597   2HB   ALA  79          2HB       ALA  79   8.127  25.521  -9.601
  598   3HB   ALA  79          3HB       ALA  79   6.507  25.843  -8.988
  599    H    LYS  80           H        LYS  80   9.304  24.199 -10.083
  600    HA   LYS  80           HA       LYS  80   9.572  21.514 -11.274
  601   1HB   LYS  80          1HB       LYS  80  10.584  24.087 -12.510
  602   2HB   LYS  80          2HB       LYS  80  10.694  22.476 -13.201
  603   1HG   LYS  80          1HG       LYS  80   8.361  22.385 -13.592
  604   2HG   LYS  80          2HG       LYS  80   8.075  23.833 -12.625
  605   1HD   LYS  80          1HD       LYS  80   7.948  24.390 -14.972
  606   2HD   LYS  80          2HD       LYS  80   9.377  25.144 -14.265
  607   1HE   LYS  80          1HE       LYS  80   9.949  24.215 -16.415
  608   2HE   LYS  80          2HE       LYS  80  10.747  23.286 -15.146
  609   1HZ   LYS  80          1HZ       LYS  80   8.202  22.480 -16.452
  610   2HZ   LYS  80          2HZ       LYS  80   9.129  21.558 -15.368
  611   3HZ   LYS  80          3HZ       LYS  80   9.734  21.911 -16.911
  612    H    ASP  81           H        ASP  81  11.731  24.293 -11.263
  613    HA   ASP  81           HA       ASP  81  13.757  22.781  -9.798
  614   1HB   ASP  81          1HB       ASP  81  15.279  24.562 -10.427
  615   2HB   ASP  81          2HB       ASP  81  14.364  24.087 -11.853
  616    H    GLY  82           H        GLY  82  11.417  25.237  -9.427
  617   1HA   GLY  82          1HA       GLY  82  11.580  25.295  -6.617
  618   2HA   GLY  82          2HA       GLY  82  12.394  26.709  -7.276
  Start of MODEL    5
    1   1H    SER   1          1H        SER   1 -11.211  -6.611  -4.986
    2   2H    SER   1          2H        SER   1  -9.999  -7.767  -4.742
    3   3H    SER   1          3H        SER   1 -11.473  -8.223  -5.453
    4    HA   SER   1           HA       SER   1  -9.869  -8.089  -7.167
    5   1HB   SER   1          1HB       SER   1 -12.172  -7.183  -7.590
    6   2HB   SER   1          2HB       SER   1 -11.568  -5.574  -7.211
    7    HG   SER   1           HG       SER   1 -10.461  -7.223  -9.245
    8    H    GLN   2           H        GLN   2  -7.998  -7.265  -7.951
    9    HA   GLN   2           HA       GLN   2  -6.054  -6.126  -8.029
   10   1HB   GLN   2          1HB       GLN   2  -8.059  -3.982  -7.617
   11   2HB   GLN   2          2HB       GLN   2  -6.376  -3.553  -7.351
   12   1HG   GLN   2          1HG       GLN   2  -7.120  -3.068  -9.636
   13   2HG   GLN   2          2HG       GLN   2  -5.796  -4.231  -9.580
   14   1HE2  GLN   2          1HE2      GLN   2  -9.193  -3.792 -10.167
   15   2HE2  GLN   2          2HE2      GLN   2  -9.439  -5.280 -11.010
   16    H    GLU   3           H        GLU   3  -6.250  -7.601  -5.842
   17    HA   GLU   3           HA       GLU   3  -4.930  -5.928  -3.807
   18   1HB   GLU   3          1HB       GLU   3  -6.469  -8.494  -3.348
   19   2HB   GLU   3          2HB       GLU   3  -5.716  -7.488  -2.116
   20   1HG   GLU   3          1HG       GLU   3  -7.340  -5.889  -2.221
   21   2HG   GLU   3          2HG       GLU   3  -7.757  -6.261  -3.892
   22    H    TRP   4           H        TRP   4  -3.128  -6.891  -2.762
   23    HA   TRP   4           HA       TRP   4  -2.001  -9.243  -4.105
   24   1HB   TRP   4          1HB       TRP   4  -0.532  -6.637  -3.622
   25   2HB   TRP   4          2HB       TRP   4   0.216  -8.128  -4.185
   26    HD1  TRP   4           HD1      TRP   4  -0.470  -8.953  -6.694
   27    HE1  TRP   4           HE1      TRP   4  -1.183  -7.585  -8.761
   28    HE3  TRP   4           HE3      TRP   4  -1.769  -4.593  -4.362
   29    HZ2  TRP   4           HZ2      TRP   4  -2.174  -5.005  -9.316
   30    HZ3  TRP   4           HZ3      TRP   4  -2.591  -2.722  -5.735
   31    HH2  TRP   4           HH2      TRP   4  -2.786  -2.924  -8.161
   32    H    THR   5           H        THR   5  -0.288 -10.273  -2.852
   33    HA   THR   5           HA       THR   5  -0.707  -9.932   0.017
   34    HB   THR   5           HB       THR   5   0.996 -12.000  -1.407
   35    HG1  THR   5           HG1      THR   5  -1.070 -12.443  -2.031
   36   1HG2  THR   5          1HG2      THR   5   1.588 -11.689   0.937
   37   2HG2  THR   5          2HG2      THR   5   0.781 -13.242   0.710
   38   3HG2  THR   5          3HG2      THR   5  -0.100 -11.880   1.407
   39    H    LEU   6           H        LEU   6   0.394  -8.207   0.681
   40    HA   LEU   6           HA       LEU   6   3.061  -7.688  -0.396
   41   1HB   LEU   6          1HB       LEU   6   1.348  -5.941   1.367
   42   2HB   LEU   6          2HB       LEU   6   2.794  -5.461   0.501
   43    HG   LEU   6           HG       LEU   6   0.206  -6.304  -0.806
   44   1HD1  LEU   6          1HD1      LEU   6  -0.042  -3.933  -1.367
   45   2HD1  LEU   6          2HD1      LEU   6   1.388  -3.562  -0.407
   46   3HD1  LEU   6          3HD1      LEU   6  -0.058  -4.198   0.376
   47   1HD2  LEU   6          1HD2      LEU   6   2.729  -5.123  -1.957
   48   2HD2  LEU   6          2HD2      LEU   6   1.231  -5.403  -2.843
   49   3HD2  LEU   6          3HD2      LEU   6   2.140  -6.768  -2.195
   50    H    ASP   7           H        ASP   7   4.838  -7.301   0.960
   51    HA   ASP   7           HA       ASP   7   4.489  -7.819   3.819
   52   1HB   ASP   7          1HB       ASP   7   5.259  -9.943   2.768
   53   2HB   ASP   7          2HB       ASP   7   6.671  -9.096   2.143
   54    H    ILE   8           H        ILE   8   4.869  -5.774   4.414
   55    HA   ILE   8           HA       ILE   8   7.226  -4.404   3.360
   56    HB   ILE   8           HB       ILE   8   4.666  -3.472   4.601
   57   1HG1  ILE   8          1HG1      ILE   8   4.760  -1.907   2.636
   58   2HG1  ILE   8          2HG1      ILE   8   6.226  -2.727   2.116
   59   1HG2  ILE   8          1HG2      ILE   8   7.182  -1.816   4.399
   60   2HG2  ILE   8          2HG2      ILE   8   6.342  -2.287   5.879
   61   3HG2  ILE   8          3HG2      ILE   8   5.572  -1.181   4.742
   62   1HD1  ILE   8          1HD1      ILE   8   4.357  -3.532   0.857
   63   2HD1  ILE   8          2HD1      ILE   8   3.475  -3.922   2.337
   64   3HD1  ILE   8          3HD1      ILE   8   4.937  -4.817   1.918
   65    HA   PRO   9           HA       PRO   9   9.471  -5.332   7.081
   66   1HB   PRO   9          1HB       PRO   9  11.071  -3.015   6.117
   67   2HB   PRO   9          2HB       PRO   9  11.597  -4.649   6.553
   68   1HG   PRO   9          1HG       PRO   9  11.466  -3.924   4.004
   69   2HG   PRO   9          2HG       PRO   9  10.936  -5.543   4.506
   70   1HD   PRO   9          1HD       PRO   9   9.291  -3.124   3.856
   71   2HD   PRO   9          2HD       PRO   9   9.018  -4.823   3.412
   72    H    ALA  10           H        ALA  10  10.181  -4.269   9.008
   73    HA   ALA  10           HA       ALA  10   8.596  -1.858   9.643
   74   1HB   ALA  10          1HB       ALA  10   7.878  -3.849  10.878
   75   2HB   ALA  10          2HB       ALA  10   8.572  -2.642  11.957
   76   3HB   ALA  10          3HB       ALA  10   9.516  -4.059  11.496
   77    H    GLN  11           H        GLN  11  11.258  -2.134   8.482
   78    HA   GLN  11           HA       GLN  11  12.889  -0.822  10.539
   79   1HB   GLN  11          1HB       GLN  11  14.795  -1.340   9.045
   80   2HB   GLN  11          2HB       GLN  11  13.927  -2.790   9.535
   81   1HG   GLN  11          1HG       GLN  11  12.700  -2.686   7.360
   82   2HG   GLN  11          2HG       GLN  11  13.793  -1.385   6.883
   83   1HE2  GLN  11          1HE2      GLN  11  13.451  -4.774   7.481
   84   2HE2  GLN  11          2HE2      GLN  11  14.963  -5.252   6.787
   85    H    SER  12           H        SER  12  14.629   0.475   8.678
   86    HA   SER  12           HA       SER  12  13.448   2.910   8.224
   87   1HB   SER  12          1HB       SER  12  15.538   1.733   6.390
   88   2HB   SER  12          2HB       SER  12  15.322   3.423   6.843
   89    HG   SER  12           HG       SER  12  16.177   3.033   8.813
   90    H    MET  13           H        MET  13  12.092   3.752   6.795
   91    HA   MET  13           HA       MET  13  10.411   2.338   5.133
   92   1HB   MET  13          1HB       MET  13   9.920   4.591   5.901
   93   2HB   MET  13          2HB       MET  13  11.268   5.234   4.980
   94   1HG   MET  13          1HG       MET  13  10.163   4.753   2.909
   95   2HG   MET  13          2HG       MET  13   8.854   3.920   3.753
   96   1HE   MET  13          1HE       MET  13   8.498   5.904   6.283
   97   2HE   MET  13          2HE       MET  13   7.160   5.173   5.398
   98   3HE   MET  13          3HE       MET  13   7.180   6.912   5.687
   99    H    ASN  14           H        ASN  14  13.581   3.516   4.500
  100    HA   ASN  14           HA       ASN  14  13.753   3.530   1.747
  101   1HB   ASN  14          1HB       ASN  14  15.527   4.141   3.457
  102   2HB   ASN  14          2HB       ASN  14  15.866   2.421   3.604
  103   1HD2  ASN  14          1HD2      ASN  14  17.440   4.766   2.655
  104   2HD2  ASN  14          2HD2      ASN  14  18.042   4.291   1.097
  105    H    SER  15           H        SER  15  13.982   0.756   3.980
  106    HA   SER  15           HA       SER  15  14.496  -1.120   1.862
  107   1HB   SER  15          1HB       SER  15  13.626  -1.750   4.689
  108   2HB   SER  15          2HB       SER  15  14.536  -2.778   3.575
  109    HG   SER  15           HG       SER  15  15.934  -1.826   5.077
  110    H    ALA  16           H        ALA  16  11.732  -0.063   3.754
  111    HA   ALA  16           HA       ALA  16   9.873  -1.980   2.928
  112   1HB   ALA  16          1HB       ALA  16   9.368   0.910   3.617
  113   2HB   ALA  16          2HB       ALA  16   9.483  -0.417   4.773
  114   3HB   ALA  16          3HB       ALA  16   8.165  -0.379   3.597
  115    H    LEU  17           H        LEU  17  10.805   1.111   1.474
  116    HA   LEU  17           HA       LEU  17   8.970   1.027  -0.667
  117   1HB   LEU  17          1HB       LEU  17  11.645   2.393  -0.407
  118   2HB   LEU  17          2HB       LEU  17  10.555   2.634  -1.758
  119    HG   LEU  17           HG       LEU  17   9.948   3.301   1.126
  120   1HD1  LEU  17          1HD1      LEU  17  11.577   4.816   0.168
  121   2HD1  LEU  17          2HD1      LEU  17  10.022   5.626   0.355
  122   3HD1  LEU  17          3HD1      LEU  17  10.542   5.075  -1.237
  123   1HD2  LEU  17          1HD2      LEU  17   7.926   4.352   0.240
  124   2HD2  LEU  17          2HD2      LEU  17   7.950   2.622  -0.094
  125   3HD2  LEU  17          3HD2      LEU  17   8.327   3.770  -1.375
  126    H    GLN  18           H        GLN  18  12.306  -0.135  -0.338
  127    HA   GLN  18           HA       GLN  18  12.664  -1.076  -2.947
  128   1HB   GLN  18          1HB       GLN  18  13.737  -2.255  -0.372
  129   2HB   GLN  18          2HB       GLN  18  14.344  -2.614  -1.982
  130   1HG   GLN  18          1HG       GLN  18  15.054  -0.310  -2.246
  131   2HG   GLN  18          2HG       GLN  18  14.398   0.087  -0.658
  132   1HE2  GLN  18          1HE2      GLN  18  16.364   0.725   0.170
  133   2HE2  GLN  18          2HE2      GLN  18  17.636  -0.396   0.523
  134    H    ALA  19           H        ALA  19  11.182  -2.585  -0.118
  135    HA   ALA  19           HA       ALA  19  10.738  -5.120  -1.286
  136   1HB   ALA  19          1HB       ALA  19  10.693  -4.793   1.126
  137   2HB   ALA  19          2HB       ALA  19   9.172  -5.485   0.564
  138   3HB   ALA  19          3HB       ALA  19   9.264  -3.773   0.974
  139    H    LEU  20           H        LEU  20   8.769  -2.163  -1.141
  140    HA   LEU  20           HA       LEU  20   6.434  -3.311  -2.267
  141   1HB   LEU  20          1HB       LEU  20   7.452  -0.540  -1.815
  142   2HB   LEU  20          2HB       LEU  20   6.061  -0.785  -2.849
  143    HG   LEU  20           HG       LEU  20   6.219  -1.734   0.010
  144   1HD1  LEU  20          1HD1      LEU  20   6.290   0.702  -0.080
  145   2HD1  LEU  20          2HD1      LEU  20   4.730   0.141   0.524
  146   3HD1  LEU  20          3HD1      LEU  20   4.877   0.712  -1.137
  147   1HD2  LEU  20          1HD2      LEU  20   4.685  -3.012  -1.390
  148   2HD2  LEU  20          2HD2      LEU  20   3.909  -1.518  -1.917
  149   3HD2  LEU  20          3HD2      LEU  20   3.804  -2.018  -0.229
  150    H    ALA  21           H        ALA  21   9.335  -1.856  -3.549
  151    HA   ALA  21           HA       ALA  21   8.459  -1.262  -6.154
  152   1HB   ALA  21          1HB       ALA  21  10.813  -1.181  -6.752
  153   2HB   ALA  21          2HB       ALA  21  11.239  -2.007  -5.254
  154   3HB   ALA  21          3HB       ALA  21  10.546  -0.387  -5.200
  155    H    LYS  22           H        LYS  22  10.515  -3.986  -5.115
  156    HA   LYS  22           HA       LYS  22  10.195  -5.437  -7.512
  157   1HB   LYS  22          1HB       LYS  22  11.039  -6.321  -4.753
  158   2HB   LYS  22          2HB       LYS  22  11.074  -7.374  -6.164
  159   1HG   LYS  22          1HG       LYS  22  12.632  -5.829  -7.265
  160   2HG   LYS  22          2HG       LYS  22  12.614  -4.806  -5.827
  161   1HD   LYS  22          1HD       LYS  22  13.537  -6.620  -4.499
  162   2HD   LYS  22          2HD       LYS  22  13.499  -7.688  -5.903
  163   1HE   LYS  22          1HE       LYS  22  15.739  -6.836  -5.553
  164   2HE   LYS  22          2HE       LYS  22  15.076  -6.209  -7.060
  165   1HZ   LYS  22          1HZ       LYS  22  16.244  -4.511  -5.759
  166   2HZ   LYS  22          2HZ       LYS  22  15.145  -4.725  -4.484
  167   3HZ   LYS  22          3HZ       LYS  22  14.608  -4.120  -5.975
  168    H    GLN  23           H        GLN  23   8.248  -5.194  -4.661
  169    HA   GLN  23           HA       GLN  23   6.796  -7.578  -4.810
  170   1HB   GLN  23          1HB       GLN  23   6.844  -5.582  -3.057
  171   2HB   GLN  23          2HB       GLN  23   5.439  -5.061  -3.973
  172   1HG   GLN  23          1HG       GLN  23   4.467  -6.310  -2.333
  173   2HG   GLN  23          2HG       GLN  23   4.649  -7.500  -3.616
  174   1HE2  GLN  23          1HE2      GLN  23   7.336  -6.335  -1.727
  175   2HE2  GLN  23          2HE2      GLN  23   7.610  -7.802  -0.855
  176    H    THR  24           H        THR  24   6.328  -4.443  -6.382
  177    HA   THR  24           HA       THR  24   4.120  -5.623  -7.942
  178    HB   THR  24           HB       THR  24   3.218  -3.263  -8.102
  179    HG1  THR  24           HG1      THR  24   5.054  -2.848  -5.942
  180   1HG2  THR  24          1HG2      THR  24   3.363  -4.456  -5.329
  181   2HG2  THR  24          2HG2      THR  24   2.250  -4.961  -6.600
  182   3HG2  THR  24          3HG2      THR  24   2.133  -3.337  -5.922
  183    H    ASP  25           H        ASP  25   7.083  -5.276  -8.403
  184    HA   ASP  25           HA       ASP  25   8.616  -4.436  -9.847
  185   1HB   ASP  25          1HB       ASP  25   8.153  -4.943 -12.204
  186   2HB   ASP  25          2HB       ASP  25   7.696  -6.262 -11.142
  187    H    THR  26           H        THR  26   7.426  -2.312  -8.691
  188    HA   THR  26           HA       THR  26   6.648  -0.463 -10.823
  189    HB   THR  26           HB       THR  26   6.166   1.041  -8.758
  190    HG1  THR  26           HG1      THR  26   5.606  -1.147  -7.238
  191   1HG2  THR  26          1HG2      THR  26   3.950   0.051  -8.497
  192   2HG2  THR  26          2HG2      THR  26   4.518  -1.445  -9.241
  193   3HG2  THR  26          3HG2      THR  26   4.437   0.039 -10.193
  194    H    GLN  27           H        GLN  27   7.414   1.856 -10.432
  195    HA   GLN  27           HA       GLN  27  10.320   1.791  -9.978
  196   1HB   GLN  27          1HB       GLN  27   9.722   2.436 -12.235
  197   2HB   GLN  27          2HB       GLN  27   8.603   3.648 -11.636
  198   1HG   GLN  27          1HG       GLN  27  10.518   4.806 -12.356
  199   2HG   GLN  27          2HG       GLN  27  10.569   4.809 -10.598
  200   1HE2  GLN  27          1HE2      GLN  27  11.473   1.956 -10.578
  201   2HE2  GLN  27          2HE2      GLN  27  13.142   2.021 -11.011
  202    H    LEU  28           H        LEU  28  11.226   3.123  -8.490
  203    HA   LEU  28           HA       LEU  28   9.354   4.657  -6.836
  204   1HB   LEU  28          1HB       LEU  28  12.142   3.700  -6.201
  205   2HB   LEU  28          2HB       LEU  28  11.047   4.506  -5.095
  206    HG   LEU  28           HG       LEU  28  10.531   1.807  -6.338
  207   1HD1  LEU  28          1HD1      LEU  28  12.426   1.713  -4.826
  208   2HD1  LEU  28          2HD1      LEU  28  11.025   0.916  -4.115
  209   3HD1  LEU  28          3HD1      LEU  28  11.490   2.530  -3.574
  210   1HD2  LEU  28          1HD2      LEU  28   8.492   3.004  -5.773
  211   2HD2  LEU  28          2HD2      LEU  28   9.104   3.320  -4.149
  212   3HD2  LEU  28          3HD2      LEU  28   8.751   1.667  -4.653
  213    H    LEU  29           H        LEU  29   9.478   6.778  -6.679
  214    HA   LEU  29           HA       LEU  29  11.879   8.139  -7.718
  215   1HB   LEU  29          1HB       LEU  29   9.935   8.410  -9.213
  216   2HB   LEU  29          2HB       LEU  29   9.007   9.063  -7.880
  217    HG   LEU  29           HG       LEU  29  10.513  10.998  -7.765
  218   1HD1  LEU  29          1HD1      LEU  29  11.843   9.767 -10.173
  219   2HD1  LEU  29          2HD1      LEU  29  12.551   9.917  -8.565
  220   3HD1  LEU  29          3HD1      LEU  29  12.182  11.364  -9.505
  221   1HD2  LEU  29          1HD2      LEU  29   9.397  10.442 -10.510
  222   2HD2  LEU  29          2HD2      LEU  29   9.853  12.033  -9.896
  223   3HD2  LEU  29          3HD2      LEU  29   8.528  11.143  -9.146
  224    H    TYR  30           H        TYR  30  12.929   8.698  -5.902
  225    HA   TYR  30           HA       TYR  30  11.849  10.662  -4.166
  226   1HB   TYR  30          1HB       TYR  30  11.790   9.427  -2.082
  227   2HB   TYR  30          2HB       TYR  30  10.695   8.666  -3.228
  228    HD1  TYR  30           HD1      TYR  30  11.256   6.472  -4.205
  229    HD2  TYR  30           HD2      TYR  30  13.742   8.270  -1.254
  230    HE1  TYR  30           HE1      TYR  30  12.355   4.307  -3.809
  231    HE2  TYR  30           HE2      TYR  30  14.845   6.107  -0.861
  232    HH   TYR  30           HH       TYR  30  14.358   3.390  -2.934
  233    H    SER  31           H        SER  31  13.394  11.290  -2.492
  234    HA   SER  31           HA       SER  31  16.149  10.653  -3.289
  235   1HB   SER  31          1HB       SER  31  15.165  12.928  -1.549
  236   2HB   SER  31          2HB       SER  31  16.768  12.758  -2.272
  237    HG   SER  31           HG       SER  31  14.300  13.122  -3.651
  238    HA   PRO  32           HA       PRO  32  15.994   7.780   0.090
  239   1HB   PRO  32          1HB       PRO  32  18.948   7.908  -0.257
  240   2HB   PRO  32          2HB       PRO  32  17.876   6.503  -0.211
  241   1HG   PRO  32          1HG       PRO  32  18.876   7.356  -2.519
  242   2HG   PRO  32          2HG       PRO  32  17.196   6.791  -2.418
  243   1HD   PRO  32          1HD       PRO  32  18.255   9.584  -2.559
  244   2HD   PRO  32          2HD       PRO  32  16.808   8.884  -3.314
  245    H    GLU  33           H        GLU  33  18.351  10.451   0.163
  246    HA   GLU  33           HA       GLU  33  18.813  10.126   2.983
  247   1HB   GLU  33          1HB       GLU  33  19.575  12.356   1.096
  248   2HB   GLU  33          2HB       GLU  33  20.141  12.194   2.755
  249   1HG   GLU  33          1HG       GLU  33  21.276  10.143   2.223
  250   2HG   GLU  33          2HG       GLU  33  20.614  10.162   0.587
  251    H    ASP  34           H        ASP  34  16.401  11.604   1.128
  252    HA   ASP  34           HA       ASP  34  15.919  13.767   3.014
  253   1HB   ASP  34          1HB       ASP  34  14.785  13.070   0.325
  254   2HB   ASP  34          2HB       ASP  34  13.990  14.255   1.356
  255    H    ILE  35           H        ILE  35  15.095  10.583   2.963
  256    HA   ILE  35           HA       ILE  35  12.410  11.050   4.053
  257    HB   ILE  35           HB       ILE  35  12.138   8.605   4.064
  258   1HG1  ILE  35          1HG1      ILE  35  14.867   8.547   2.762
  259   2HG1  ILE  35          2HG1      ILE  35  14.508   8.005   4.398
  260   1HG2  ILE  35          1HG2      ILE  35  13.062   9.653   1.393
  261   2HG2  ILE  35          2HG2      ILE  35  11.468   9.913   2.102
  262   3HG2  ILE  35          3HG2      ILE  35  11.984   8.283   1.666
  263   1HD1  ILE  35          1HD1      ILE  35  13.422   6.811   1.859
  264   2HD1  ILE  35          2HD1      ILE  35  13.047   6.269   3.495
  265   3HD1  ILE  35          3HD1      ILE  35  14.693   6.130   2.873
  266    H    GLY  36           H        GLY  36  15.487  11.013   5.140
  267   1HA   GLY  36          1HA       GLY  36  16.385  11.058   7.240
  268   2HA   GLY  36          2HA       GLY  36  14.742  11.266   7.819
  269    H    GLY  37           H        GLY  37  15.444   8.389   6.050
  270   1HA   GLY  37          1HA       GLY  37  15.444   6.182   6.671
  271   2HA   GLY  37          2HA       GLY  37  16.444   6.702   8.017
  272    H    LEU  38           H        LEU  38  13.091   7.619   7.376
  273    HA   LEU  38           HA       LEU  38  12.299   7.077  10.059
  274   1HB   LEU  38          1HB       LEU  38  10.629   7.544   7.582
  275   2HB   LEU  38          2HB       LEU  38  10.007   7.522   9.220
  276    HG   LEU  38           HG       LEU  38  12.032   9.514   8.198
  277   1HD1  LEU  38          1HD1      LEU  38  10.185  11.106   8.180
  278   2HD1  LEU  38          2HD1      LEU  38   9.062   9.821   8.622
  279   3HD1  LEU  38          3HD1      LEU  38   9.886   9.772   7.064
  280   1HD2  LEU  38          1HD2      LEU  38  10.419   9.409  10.745
  281   2HD2  LEU  38          2HD2      LEU  38  11.481  10.727  10.252
  282   3HD2  LEU  38          3HD2      LEU  38  12.155   9.135  10.602
  283    H    ARG  39           H        ARG  39  11.635   5.175  10.925
  284    HA   ARG  39           HA       ARG  39  11.517   2.860   9.201
  285   1HB   ARG  39          1HB       ARG  39  11.046   1.614  11.334
  286   2HB   ARG  39          2HB       ARG  39  12.576   2.465  11.279
  287   1HG   ARG  39          1HG       ARG  39  11.571   4.295  12.593
  288   2HG   ARG  39          2HG       ARG  39  10.076   3.360  12.692
  289   1HD   ARG  39          1HD       ARG  39  11.478   3.129  14.704
  290   2HD   ARG  39          2HD       ARG  39  11.217   1.592  13.878
  291    HE   ARG  39           HE       ARG  39  13.586   2.605  12.875
  292   1HH1  ARG  39          1HH1      ARG  39  12.357   1.614  16.013
  293   2HH1  ARG  39          2HH1      ARG  39  13.932   1.166  16.605
  294   1HH2  ARG  39          1HH2      ARG  39  15.630   2.004  13.661
  295   2HH2  ARG  39          2HH2      ARG  39  15.779   1.378  15.279
  296    H    SER  40           H        SER  40   9.825   1.686   8.626
  297    HA   SER  40           HA       SER  40   7.208   2.908   8.965
  298   1HB   SER  40          1HB       SER  40   6.602   1.120   7.218
  299   2HB   SER  40          2HB       SER  40   7.692   2.408   6.701
  300    HG   SER  40           HG       SER  40   8.227  -0.304   7.193
  301    H    SER  41           H        SER  41   5.351   1.541   9.419
  302    HA   SER  41           HA       SER  41   5.881  -0.479  11.425
  303   1HB   SER  41          1HB       SER  41   3.203   0.364  10.286
  304   2HB   SER  41          2HB       SER  41   3.514  -0.419  11.834
  305    HG   SER  41           HG       SER  41   4.790   1.550  12.319
  306    H    ALA  42           H        ALA  42   5.484  -2.659  11.185
  307    HA   ALA  42           HA       ALA  42   5.882  -3.810   8.665
  308   1HB   ALA  42          1HB       ALA  42   5.410  -5.940   9.742
  309   2HB   ALA  42          2HB       ALA  42   4.714  -5.099  11.126
  310   3HB   ALA  42          3HB       ALA  42   6.432  -4.935  10.770
  311    H    LEU  43           H        LEU  43   4.477  -3.395   7.073
  312    HA   LEU  43           HA       LEU  43   1.615  -3.847   7.589
  313   1HB   LEU  43          1HB       LEU  43   2.420  -1.570   6.772
  314   2HB   LEU  43          2HB       LEU  43   2.829  -2.364   5.263
  315    HG   LEU  43           HG       LEU  43   0.424  -3.046   5.049
  316   1HD1  LEU  43          1HD1      LEU  43   0.073  -1.120   7.343
  317   2HD1  LEU  43          2HD1      LEU  43  -0.189  -2.866   7.404
  318   3HD1  LEU  43          3HD1      LEU  43  -1.221  -1.853   6.395
  319   1HD2  LEU  43          1HD2      LEU  43  -0.340  -0.840   4.328
  320   2HD2  LEU  43          2HD2      LEU  43   1.326  -1.138   3.830
  321   3HD2  LEU  43          3HD2      LEU  43   0.990  -0.086   5.207
  322    H    LYS  44           H        LYS  44   1.358  -5.993   7.152
  323    HA   LYS  44           HA       LYS  44   1.969  -6.771   4.406
  324   1HB   LYS  44          1HB       LYS  44   2.800  -8.963   5.127
  325   2HB   LYS  44          2HB       LYS  44   3.813  -7.639   5.690
  326   1HG   LYS  44          1HG       LYS  44   2.999  -7.859   7.913
  327   2HG   LYS  44          2HG       LYS  44   1.735  -8.985   7.401
  328   1HD   LYS  44          1HD       LYS  44   4.703  -9.484   7.215
  329   2HD   LYS  44          2HD       LYS  44   3.629 -10.152   8.445
  330   1HE   LYS  44          1HE       LYS  44   2.475 -11.472   6.878
  331   2HE   LYS  44          2HE       LYS  44   3.126 -10.565   5.514
  332   1HZ   LYS  44          1HZ       LYS  44   4.634 -12.405   7.294
  333   2HZ   LYS  44          2HZ       LYS  44   5.326 -11.462   6.064
  334   3HZ   LYS  44          3HZ       LYS  44   4.212 -12.678   5.670
  335    H    GLY  45           H        GLY  45   0.285  -7.537   3.442
  336   1HA   GLY  45          1HA       GLY  45  -1.454  -9.502   4.368
  337   2HA   GLY  45          2HA       GLY  45  -2.200  -7.946   4.719
  338    H    ARG  46           H        ARG  46  -3.864  -8.720   3.193
  339    HA   ARG  46           HA       ARG  46  -3.029  -8.683   0.382
  340   1HB   ARG  46          1HB       ARG  46  -4.619 -10.450   1.432
  341   2HB   ARG  46          2HB       ARG  46  -5.835  -9.184   1.348
  342   1HG   ARG  46          1HG       ARG  46  -5.348  -9.008  -1.103
  343   2HG   ARG  46          2HG       ARG  46  -4.337 -10.446  -0.934
  344   1HD   ARG  46          1HD       ARG  46  -6.436 -11.233  -1.657
  345   2HD   ARG  46          2HD       ARG  46  -6.370 -11.580   0.071
  346    HE   ARG  46           HE       ARG  46  -7.717  -9.153  -0.908
  347   1HH1  ARG  46          1HH1      ARG  46  -7.811 -12.170   0.889
  348   2HH1  ARG  46          2HH1      ARG  46  -9.445 -11.918   1.426
  349   1HH2  ARG  46          1HH2      ARG  46  -9.823  -8.842  -0.205
  350   2HH2  ARG  46          2HH2      ARG  46 -10.594 -10.036   0.802
  351    H    HIS  47           H        HIS  47  -2.745  -6.556  -0.145
  352    HA   HIS  47           HA       HIS  47  -5.066  -4.787   0.151
  353   1HB   HIS  47          1HB       HIS  47  -2.293  -4.257   1.189
  354   2HB   HIS  47          2HB       HIS  47  -3.357  -2.930   0.740
  355    HD1  HIS  47           HD1      HIS  47  -5.070  -2.213   2.431
  356    HD2  HIS  47           HD2      HIS  47  -3.280  -5.844   3.392
  357    HE1  HIS  47           HE1      HIS  47  -5.866  -2.769   4.755
  358    HE2  HIS  47           HE2      HIS  47  -4.947  -5.072   5.216
  359    H    ASP  48           H        ASP  48  -4.959  -2.876  -1.174
  360    HA   ASP  48           HA       ASP  48  -3.726  -3.288  -3.740
  361   1HB   ASP  48          1HB       ASP  48  -5.936  -2.243  -3.577
  362   2HB   ASP  48          2HB       ASP  48  -5.276  -0.939  -2.604
  363    H    LEU  49           H        LEU  49  -2.203  -1.725  -4.706
  364    HA   LEU  49           HA       LEU  49   0.036  -1.300  -3.088
  365   1HB   LEU  49          1HB       LEU  49   0.151  -1.478  -5.534
  366   2HB   LEU  49          2HB       LEU  49  -0.675   0.060  -5.689
  367    HG   LEU  49           HG       LEU  49   1.243   1.174  -4.581
  368   1HD1  LEU  49          1HD1      LEU  49   2.512  -1.553  -4.751
  369   2HD1  LEU  49          2HD1      LEU  49   2.077  -0.694  -3.274
  370   3HD1  LEU  49          3HD1      LEU  49   3.345  -0.059  -4.323
  371   1HD2  LEU  49          1HD2      LEU  49   1.938  -0.463  -7.015
  372   2HD2  LEU  49          2HD2      LEU  49   2.787   0.982  -6.470
  373   3HD2  LEU  49          3HD2      LEU  49   1.112   1.096  -7.010
  374    H    GLN  50           H        GLN  50  -2.423   0.986  -4.214
  375    HA   GLN  50           HA       GLN  50  -1.340   3.300  -3.015
  376   1HB   GLN  50          1HB       GLN  50  -4.173   2.598  -3.795
  377   2HB   GLN  50          2HB       GLN  50  -3.666   4.201  -3.282
  378   1HG   GLN  50          1HG       GLN  50  -2.351   4.522  -5.189
  379   2HG   GLN  50          2HG       GLN  50  -2.369   2.807  -5.597
  380   1HE2  GLN  50          1HE2      GLN  50  -5.182   2.486  -5.083
  381   2HE2  GLN  50          2HE2      GLN  50  -6.028   3.257  -6.383
  382    H    SER  51           H        SER  51  -3.479   0.789  -1.857
  383    HA   SER  51           HA       SER  51  -4.328   2.011   0.526
  384   1HB   SER  51          1HB       SER  51  -5.389  -0.020  -0.373
  385   2HB   SER  51          2HB       SER  51  -3.912  -0.933  -0.080
  386    HG   SER  51           HG       SER  51  -5.672   0.215   1.824
  387    H    SER  52           H        SER  52  -1.570  -0.105  -0.188
  388    HA   SER  52           HA       SER  52  -0.498  -0.198   2.402
  389   1HB   SER  52          1HB       SER  52   0.191  -1.701   0.554
  390   2HB   SER  52          2HB       SER  52   0.981  -0.341  -0.240
  391    HG   SER  52           HG       SER  52   2.073  -0.231   2.009
  392    H    LEU  53           H        LEU  53   0.101   2.037  -0.289
  393    HA   LEU  53           HA       LEU  53   2.143   3.520   0.951
  394   1HB   LEU  53          1HB       LEU  53   0.152   4.383  -1.148
  395   2HB   LEU  53          2HB       LEU  53   1.618   5.249  -0.729
  396    HG   LEU  53           HG       LEU  53   1.521   2.471  -1.909
  397   1HD1  LEU  53          1HD1      LEU  53   2.386   3.524  -3.935
  398   2HD1  LEU  53          2HD1      LEU  53   2.264   5.109  -3.171
  399   3HD1  LEU  53          3HD1      LEU  53   0.805   4.177  -3.506
  400   1HD2  LEU  53          1HD2      LEU  53   3.944   2.776  -2.182
  401   2HD2  LEU  53          2HD2      LEU  53   3.461   2.794  -0.485
  402   3HD2  LEU  53          3HD2      LEU  53   3.839   4.307  -1.311
  403    H    ARG  54           H        ARG  54  -1.364   3.944   0.882
  404    HA   ARG  54           HA       ARG  54  -1.389   6.473   2.142
  405   1HB   ARG  54          1HB       ARG  54  -3.262   5.572   0.803
  406   2HB   ARG  54          2HB       ARG  54  -3.574   4.389   2.061
  407   1HG   ARG  54          1HG       ARG  54  -4.218   6.086   3.606
  408   2HG   ARG  54          2HG       ARG  54  -3.687   7.362   2.506
  409   1HD   ARG  54          1HD       ARG  54  -5.940   5.413   2.014
  410   2HD   ARG  54          2HD       ARG  54  -6.121   7.107   2.468
  411    HE   ARG  54           HE       ARG  54  -4.598   7.181   0.201
  412   1HH1  ARG  54          1HH1      ARG  54  -7.744   5.857   1.028
  413   2HH1  ARG  54          2HH1      ARG  54  -8.368   6.002  -0.590
  414   1HH2  ARG  54          1HH2      ARG  54  -5.425   7.381  -1.918
  415   2HH2  ARG  54          2HH2      ARG  54  -7.047   6.857  -2.267
  416    H    ILE  55           H        ILE  55  -1.753   3.177   3.429
  417    HA   ILE  55           HA       ILE  55  -2.334   3.954   6.080
  418    HB   ILE  55           HB       ILE  55  -1.034   1.412   5.084
  419   1HG1  ILE  55          1HG1      ILE  55  -3.915   2.001   5.803
  420   2HG1  ILE  55          2HG1      ILE  55  -3.294   1.872   4.162
  421   1HG2  ILE  55          1HG2      ILE  55  -0.603   1.760   7.461
  422   2HG2  ILE  55          2HG2      ILE  55  -1.737   0.433   7.215
  423   3HG2  ILE  55          3HG2      ILE  55  -2.326   2.008   7.745
  424   1HD1  ILE  55          1HD1      ILE  55  -4.434  -0.156   4.850
  425   2HD1  ILE  55          2HD1      ILE  55  -3.326  -0.330   6.210
  426   3HD1  ILE  55          3HD1      ILE  55  -2.720  -0.459   4.558
  427    H    LEU  56           H        LEU  56   0.721   3.199   4.446
  428    HA   LEU  56           HA       LEU  56   2.305   3.448   6.794
  429   1HB   LEU  56          1HB       LEU  56   3.016   3.465   3.870
  430   2HB   LEU  56          2HB       LEU  56   4.212   3.563   5.146
  431    HG   LEU  56           HG       LEU  56   2.304   1.261   4.720
  432   1HD1  LEU  56          1HD1      LEU  56   4.298   0.025   4.037
  433   2HD1  LEU  56          2HD1      LEU  56   5.265   1.490   4.198
  434   3HD1  LEU  56          3HD1      LEU  56   4.000   1.399   2.975
  435   1HD2  LEU  56          1HD2      LEU  56   4.575   1.625   6.675
  436   2HD2  LEU  56          2HD2      LEU  56   3.674   0.129   6.423
  437   3HD2  LEU  56          3HD2      LEU  56   2.858   1.551   7.069
  438    H    LEU  57           H        LEU  57   1.785   5.648   4.022
  439    HA   LEU  57           HA       LEU  57   3.312   7.706   5.438
  440   1HB   LEU  57          1HB       LEU  57   2.336   7.485   2.603
  441   2HB   LEU  57          2HB       LEU  57   2.972   8.984   3.248
  442    HG   LEU  57           HG       LEU  57   5.095   7.662   3.796
  443   1HD1  LEU  57          1HD1      LEU  57   5.511   5.695   2.398
  444   2HD1  LEU  57          2HD1      LEU  57   3.831   5.726   1.866
  445   3HD1  LEU  57          3HD1      LEU  57   4.211   5.418   3.559
  446   1HD2  LEU  57          1HD2      LEU  57   5.956   7.933   1.528
  447   2HD2  LEU  57          2HD2      LEU  57   4.955   9.304   2.007
  448   3HD2  LEU  57          3HD2      LEU  57   4.308   8.078   0.918
  449    H    GLN  58           H        GLN  58   0.506   6.833   6.085
  450    HA   GLN  58           HA       GLN  58  -1.419   8.698   5.514
  451   1HB   GLN  58          1HB       GLN  58  -1.701   6.641   6.901
  452   2HB   GLN  58          2HB       GLN  58  -0.932   7.487   8.235
  453   1HG   GLN  58          1HG       GLN  58  -2.734   9.155   8.188
  454   2HG   GLN  58          2HG       GLN  58  -3.514   8.250   6.892
  455   1HE2  GLN  58          1HE2      GLN  58  -2.684   5.689   8.068
  456   2HE2  GLN  58          2HE2      GLN  58  -3.739   5.424   9.415
  457    H    GLY  59           H        GLY  59   0.849   8.854   8.273
  458   1HA   GLY  59          1HA       GLY  59   0.684  11.782   8.131
  459   2HA   GLY  59          2HA       GLY  59   0.303  10.992   9.654
  460    H    THR  60           H        THR  60   2.819  10.079   7.346
  461    HA   THR  60           HA       THR  60   4.795  10.242   9.446
  462    HB   THR  60           HB       THR  60   6.344   9.476   7.547
  463    HG1  THR  60           HG1      THR  60   5.408   8.929   5.656
  464   1HG2  THR  60          1HG2      THR  60   5.490   7.167   7.661
  465   2HG2  THR  60          2HG2      THR  60   3.979   7.772   8.342
  466   3HG2  THR  60          3HG2      THR  60   5.485   7.949   9.244
  467    H    GLY  61           H        GLY  61   3.560  12.442   7.276
  468   1HA   GLY  61          1HA       GLY  61   4.287  14.702   7.261
  469   2HA   GLY  61          2HA       GLY  61   5.914  14.151   7.636
  470    H    LEU  62           H        LEU  62   5.073  12.044   5.373
  471    HA   LEU  62           HA       LEU  62   6.084  13.751   3.209
  472   1HB   LEU  62          1HB       LEU  62   6.238  10.746   3.496
  473   2HB   LEU  62          2HB       LEU  62   6.953  11.700   2.212
  474    HG   LEU  62           HG       LEU  62   7.756  11.811   5.122
  475   1HD1  LEU  62          1HD1      LEU  62   9.832  10.751   4.339
  476   2HD1  LEU  62          2HD1      LEU  62   9.116  10.574   2.736
  477   3HD1  LEU  62          3HD1      LEU  62   8.422   9.716   4.113
  478   1HD2  LEU  62          1HD2      LEU  62   8.915  13.162   2.692
  479   2HD2  LEU  62          2HD2      LEU  62   9.643  13.158   4.297
  480   3HD2  LEU  62          3HD2      LEU  62   8.089  13.948   4.036
  481    H    ARG  63           H        ARG  63   5.263  13.211   1.039
  482    HA   ARG  63           HA       ARG  63   2.494  12.213   1.172
  483   1HB   ARG  63          1HB       ARG  63   3.683  14.404  -0.518
  484   2HB   ARG  63          2HB       ARG  63   2.119  13.681  -0.864
  485   1HG   ARG  63          1HG       ARG  63   1.324  14.374   1.350
  486   2HG   ARG  63          2HG       ARG  63   2.885  15.143   1.653
  487   1HD   ARG  63          1HD       ARG  63   1.172  16.745   0.904
  488   2HD   ARG  63          2HD       ARG  63   2.543  16.654  -0.197
  489    HE   ARG  63           HE       ARG  63   0.828  14.922  -1.320
  490   1HH1  ARG  63          1HH1      ARG  63   0.366  18.160  -0.084
  491   2HH1  ARG  63          2HH1      ARG  63  -0.844  18.582  -1.256
  492   1HH2  ARG  63          1HH2      ARG  63  -0.773  15.458  -2.866
  493   2HH2  ARG  63          2HH2      ARG  63  -1.497  17.039  -2.848
  494    H    TYR  64           H        TYR  64   1.877  10.688  -0.207
  495    HA   TYR  64           HA       TYR  64   3.910   9.588  -2.002
  496   1HB   TYR  64          1HB       TYR  64   2.650   7.533  -1.970
  497   2HB   TYR  64          2HB       TYR  64   2.821   8.089  -0.309
  498    HD1  TYR  64           HD1      TYR  64   0.827   9.356   0.720
  499    HD2  TYR  64           HD2      TYR  64   0.547   7.048  -2.840
  500    HE1  TYR  64           HE1      TYR  64  -1.612   9.224   1.006
  501    HE2  TYR  64           HE2      TYR  64  -1.894   6.907  -2.569
  502    HH   TYR  64           HH       TYR  64  -3.635   8.887  -0.567
  503    H    GLN  65           H        GLN  65   3.519   9.256  -4.164
  504    HA   GLN  65           HA       GLN  65   0.938  10.100  -5.258
  505   1HB   GLN  65          1HB       GLN  65   2.413  12.067  -5.428
  506   2HB   GLN  65          2HB       GLN  65   3.607  11.099  -6.280
  507   1HG   GLN  65          1HG       GLN  65   1.971  10.726  -8.087
  508   2HG   GLN  65          2HG       GLN  65   0.840  11.783  -7.247
  509   1HE2  GLN  65          1HE2      GLN  65   1.240  13.997  -7.178
  510   2HE2  GLN  65          2HE2      GLN  65   2.381  14.757  -8.241
  511    H    ILE  66           H        ILE  66   0.267   8.805  -6.889
  512    HA   ILE  66           HA       ILE  66   2.231   6.909  -7.973
  513    HB   ILE  66           HB       ILE  66   0.694   5.731  -6.501
  514   1HG1  ILE  66          1HG1      ILE  66   0.063   5.160  -9.405
  515   2HG1  ILE  66          2HG1      ILE  66   1.498   4.604  -8.552
  516   1HG2  ILE  66          1HG2      ILE  66  -1.705   5.621  -6.957
  517   2HG2  ILE  66          2HG2      ILE  66  -1.511   6.789  -8.263
  518   3HG2  ILE  66          3HG2      ILE  66  -1.191   7.269  -6.597
  519   1HD1  ILE  66          1HD1      ILE  66   0.100   3.287  -7.054
  520   2HD1  ILE  66          2HD1      ILE  66  -0.165   2.845  -8.739
  521   3HD1  ILE  66          3HD1      ILE  66  -1.342   3.854  -7.898
  522    H    ASP  67           H        ASP  67   2.366   6.717 -10.109
  523    HA   ASP  67           HA       ASP  67   0.201   7.572 -11.847
  524   1HB   ASP  67          1HB       ASP  67   1.543   9.637 -11.484
  525   2HB   ASP  67          2HB       ASP  67   2.969   8.790 -12.078
  526    H    GLY  68           H        GLY  68  -0.017   5.975 -13.281
  527   1HA   GLY  68          1HA       GLY  68   0.488   4.173 -14.614
  528   2HA   GLY  68          2HA       GLY  68   2.124   4.812 -14.718
  529    H    ASN  69           H        ASN  69   3.700   3.724 -13.754
  530    HA   ASN  69           HA       ASN  69   2.988   1.920 -11.542
  531   1HB   ASN  69          1HB       ASN  69   4.707   0.333 -12.315
  532   2HB   ASN  69          2HB       ASN  69   3.435   0.545 -13.509
  533   1HD2  ASN  69          1HD2      ASN  69   6.765   1.137 -12.731
  534   2HD2  ASN  69          2HD2      ASN  69   7.271   1.600 -14.319
  535    H    THR  70           H        THR  70   4.029   4.700 -11.764
  536    HA   THR  70           HA       THR  70   6.633   4.347 -10.446
  537    HB   THR  70           HB       THR  70   5.454   6.864 -11.651
  538    HG1  THR  70           HG1      THR  70   7.505   6.261 -13.050
  539   1HG2  THR  70          1HG2      THR  70   7.724   7.768 -11.417
  540   2HG2  THR  70          2HG2      THR  70   8.232   6.279 -10.617
  541   3HG2  THR  70          3HG2      THR  70   7.043   7.332  -9.850
  542    H    VAL  71           H        VAL  71   6.896   4.885  -8.391
  543    HA   VAL  71           HA       VAL  71   4.627   6.103  -6.951
  544    HB   VAL  71           HB       VAL  71   6.797   4.339  -5.802
  545   1HG1  VAL  71          1HG1      VAL  71   5.319   4.191  -3.856
  546   2HG1  VAL  71          2HG1      VAL  71   4.184   5.292  -4.636
  547   3HG1  VAL  71          3HG1      VAL  71   5.792   5.858  -4.187
  548   1HG2  VAL  71          1HG2      VAL  71   5.469   3.035  -7.351
  549   2HG2  VAL  71          2HG2      VAL  71   3.982   3.600  -6.591
  550   3HG2  VAL  71          3HG2      VAL  71   5.092   2.568  -5.692
  551    H    THR  72           H        THR  72   5.011   8.126  -6.285
  552    HA   THR  72           HA       THR  72   7.814   9.011  -6.087
  553    HB   THR  72           HB       THR  72   5.348  10.715  -6.503
  554    HG1  THR  72           HG1      THR  72   6.461   9.103  -8.220
  555   1HG2  THR  72          1HG2      THR  72   6.952  12.453  -7.150
  556   2HG2  THR  72          2HG2      THR  72   8.287  11.354  -6.802
  557   3HG2  THR  72          3HG2      THR  72   7.241  11.909  -5.495
  558    H    VAL  73           H        VAL  73   8.570   9.717  -4.190
  559    HA   VAL  73           HA       VAL  73   6.639  10.194  -2.010
  560    HB   VAL  73           HB       VAL  73   9.512   9.273  -1.746
  561   1HG1  VAL  73          1HG1      VAL  73   7.354   9.613   0.337
  562   2HG1  VAL  73          2HG1      VAL  73   8.772  10.644   0.134
  563   3HG1  VAL  73          3HG1      VAL  73   8.970   8.959   0.622
  564   1HG2  VAL  73          1HG2      VAL  73   6.942   7.739  -1.353
  565   2HG2  VAL  73          2HG2      VAL  73   8.562   7.136  -1.003
  566   3HG2  VAL  73          3HG2      VAL  73   8.099   7.509  -2.663
  567    H    THR  74           H        THR  74   6.391  12.326  -1.840
  568    HA   THR  74           HA       THR  74   8.783  14.029  -2.056
  569    HB   THR  74           HB       THR  74   7.044  14.472  -3.764
  570    HG1  THR  74           HG1      THR  74   6.970  16.738  -3.371
  571   1HG2  THR  74          1HG2      THR  74   5.315  15.248  -1.412
  572   2HG2  THR  74          2HG2      THR  74   5.055  13.867  -2.479
  573   3HG2  THR  74          3HG2      THR  74   4.921  15.510  -3.110
  574    H    ALA  75           H        ALA  75   9.001  15.777  -0.558
  575    HA   ALA  75           HA       ALA  75   8.111  15.017   2.077
  576   1HB   ALA  75          1HB       ALA  75   9.973  17.212   1.197
  577   2HB   ALA  75          2HB       ALA  75  10.444  15.591   1.707
  578   3HB   ALA  75          3HB       ALA  75   9.698  16.695   2.861
  579    H    SER  76           H        SER  76   7.223  16.522   3.586
  580    HA   SER  76           HA       SER  76   6.193  19.053   2.816
  581   1HB   SER  76          1HB       SER  76   4.565  17.519   1.664
  582   2HB   SER  76          2HB       SER  76   4.147  16.853   3.242
  583    HG   SER  76           HG       SER  76   2.760  18.605   2.404
  584    H    ALA  77           H        ALA  77   4.025  19.001   4.718
  585    HA   ALA  77           HA       ALA  77   3.559  19.234   6.918
  586   1HB   ALA  77          1HB       ALA  77   4.453  17.632   8.506
  587   2HB   ALA  77          2HB       ALA  77   5.672  17.125   7.337
  588   3HB   ALA  77          3HB       ALA  77   3.964  16.826   7.015
  589    H    ALA  78           H        ALA  78   4.467  21.372   6.621
  590    HA   ALA  78           HA       ALA  78   7.020  21.804   7.990
  591   1HB   ALA  78          1HB       ALA  78   5.246  23.749   6.511
  592   2HB   ALA  78          2HB       ALA  78   6.695  22.972   5.872
  593   3HB   ALA  78          3HB       ALA  78   6.826  24.119   7.206
  594    H    ALA  79           H        ALA  79   5.503  20.857   9.809
  595    HA   ALA  79           HA       ALA  79   4.429  21.105  11.777
  596   1HB   ALA  79          1HB       ALA  79   5.442  23.939  11.628
  597   2HB   ALA  79          2HB       ALA  79   6.331  22.559  12.272
  598   3HB   ALA  79          3HB       ALA  79   4.862  23.116  13.075
  599    H    LYS  80           H        LYS  80   3.708  24.451  11.500
  600    HA   LYS  80           HA       LYS  80   0.978  23.822  10.575
  601   1HB   LYS  80          1HB       LYS  80   1.855  25.922  12.576
  602   2HB   LYS  80          2HB       LYS  80   0.233  25.810  11.911
  603   1HG   LYS  80          1HG       LYS  80   0.079  24.790  14.002
  604   2HG   LYS  80          2HG       LYS  80   0.193  23.441  12.871
  605   1HD   LYS  80          1HD       LYS  80   2.587  23.241  13.362
  606   2HD   LYS  80          2HD       LYS  80   2.465  24.590  14.495
  607   1HE   LYS  80          1HE       LYS  80   1.041  21.938  14.723
  608   2HE   LYS  80          2HE       LYS  80   2.444  22.445  15.663
  609   1HZ   LYS  80          1HZ       LYS  80   0.566  22.810  17.015
  610   2HZ   LYS  80          2HZ       LYS  80  -0.307  23.548  15.765
  611   3HZ   LYS  80          3HZ       LYS  80   1.022  24.346  16.457
  612    H    ASP  81           H        ASP  81   2.986  24.302   8.803
  613    HA   ASP  81           HA       ASP  81   3.636  25.551   7.026
  614   1HB   ASP  81          1HB       ASP  81   1.198  25.815   6.647
  615   2HB   ASP  81          2HB       ASP  81   1.209  27.252   7.661
  616    H    GLY  82           H        GLY  82   4.977  25.939   9.305
  617   1HA   GLY  82          1HA       GLY  82   5.944  28.638   9.065
  618   2HA   GLY  82          2HA       GLY  82   5.110  28.333  10.585
  Start of MODEL    6
    1   1H    SER   1          1H        SER   1  -7.691  -3.784 -10.582
    2   2H    SER   1          2H        SER   1  -8.311  -2.263 -10.152
    3   3H    SER   1          3H        SER   1  -8.863  -3.657  -9.369
    4    HA   SER   1           HA       SER   1  -6.101  -2.618  -9.248
    5   1HB   SER   1          1HB       SER   1  -8.331  -2.541  -7.198
    6   2HB   SER   1          2HB       SER   1  -6.663  -2.041  -6.909
    7    HG   SER   1           HG       SER   1  -6.985  -0.252  -7.998
    8    H    GLN   2           H        GLN   2  -4.980  -4.485  -9.400
    9    HA   GLN   2           HA       GLN   2  -5.783  -6.889  -8.067
   10   1HB   GLN   2          1HB       GLN   2  -4.407  -6.977 -10.094
   11   2HB   GLN   2          2HB       GLN   2  -3.121  -6.102  -9.272
   12   1HG   GLN   2          1HG       GLN   2  -2.783  -7.943  -7.752
   13   2HG   GLN   2          2HG       GLN   2  -4.151  -8.808  -8.450
   14   1HE2  GLN   2          1HE2      GLN   2  -2.924 -10.562  -9.001
   15   2HE2  GLN   2          2HE2      GLN   2  -1.791 -10.533 -10.317
   16    H    GLU   3           H        GLU   3  -5.059  -7.724  -6.149
   17    HA   GLU   3           HA       GLU   3  -3.606  -5.836  -4.433
   18   1HB   GLU   3          1HB       GLU   3  -5.562  -8.036  -3.758
   19   2HB   GLU   3          2HB       GLU   3  -4.602  -7.191  -2.549
   20   1HG   GLU   3          1HG       GLU   3  -5.656  -5.105  -3.099
   21   2HG   GLU   3          2HG       GLU   3  -6.510  -5.849  -4.448
   22    H    TRP   4           H        TRP   4  -2.030  -6.708  -2.979
   23    HA   TRP   4           HA       TRP   4  -0.779  -9.152  -4.042
   24   1HB   TRP   4          1HB       TRP   4   0.602  -6.536  -3.404
   25   2HB   TRP   4          2HB       TRP   4   1.432  -8.038  -3.786
   26    HD1  TRP   4           HD1      TRP   4   1.118  -8.975  -6.334
   27    HE1  TRP   4           HE1      TRP   4   0.732  -7.696  -8.533
   28    HE3  TRP   4           HE3      TRP   4  -0.466  -4.518  -4.401
   29    HZ2  TRP   4           HZ2      TRP   4  -0.131  -5.129  -9.338
   30    HZ3  TRP   4           HZ3      TRP   4  -1.049  -2.703  -5.954
   31    HH2  TRP   4           HH2      TRP   4  -0.884  -3.002  -8.369
   32    H    THR   5           H        THR   5   0.598 -10.259  -2.603
   33    HA   THR   5           HA       THR   5  -0.054  -9.862   0.203
   34    HB   THR   5           HB       THR   5   1.657 -12.016  -1.067
   35    HG1  THR   5           HG1      THR   5  -0.804 -11.751  -1.559
   36   1HG2  THR   5          1HG2      THR   5   1.182 -13.256   1.013
   37   2HG2  THR   5          2HG2      THR   5   0.321 -11.850   1.640
   38   3HG2  THR   5          3HG2      THR   5   2.055 -11.755   1.325
   39    H    LEU   6           H        LEU   6   1.074  -8.206   0.996
   40    HA   LEU   6           HA       LEU   6   3.893  -7.918   0.209
   41   1HB   LEU   6          1HB       LEU   6   1.962  -5.832   1.232
   42   2HB   LEU   6          2HB       LEU   6   3.623  -5.540   0.752
   43    HG   LEU   6           HG       LEU   6   1.452  -6.513  -1.110
   44   1HD1  LEU   6          1HD1      LEU   6   2.634  -3.760  -0.779
   45   2HD1  LEU   6          2HD1      LEU   6   0.993  -4.246  -0.351
   46   3HD1  LEU   6          3HD1      LEU   6   1.505  -4.253  -2.040
   47   1HD2  LEU   6          1HD2      LEU   6   4.253  -5.531  -1.644
   48   2HD2  LEU   6          2HD2      LEU   6   3.060  -5.966  -2.868
   49   3HD2  LEU   6          3HD2      LEU   6   3.695  -7.199  -1.779
   50    H    ASP   7           H        ASP   7   5.160  -8.751   1.734
   51    HA   ASP   7           HA       ASP   7   4.559  -8.235   4.549
   52   1HB   ASP   7          1HB       ASP   7   5.249 -10.535   3.939
   53   2HB   ASP   7          2HB       ASP   7   6.761  -9.901   3.299
   54    H    ILE   8           H        ILE   8   5.080  -6.171   4.956
   55    HA   ILE   8           HA       ILE   8   7.453  -5.029   3.678
   56    HB   ILE   8           HB       ILE   8   5.154  -3.683   5.102
   57   1HG1  ILE   8          1HG1      ILE   8   4.497  -4.671   2.962
   58   2HG1  ILE   8          2HG1      ILE   8   4.514  -2.914   2.848
   59   1HG2  ILE   8          1HG2      ILE   8   6.084  -1.582   4.210
   60   2HG2  ILE   8          2HG2      ILE   8   7.482  -2.475   3.610
   61   3HG2  ILE   8          3HG2      ILE   8   7.181  -2.371   5.346
   62   1HD1  ILE   8          1HD1      ILE   8   5.444  -3.926   0.854
   63   2HD1  ILE   8          2HD1      ILE   8   6.646  -4.778   1.822
   64   3HD1  ILE   8          3HD1      ILE   8   6.685  -3.017   1.719
   65    HA   PRO   9           HA       PRO   9   9.778  -5.444   7.469
   66   1HB   PRO   9          1HB       PRO   9  11.346  -3.289   6.146
   67   2HB   PRO   9          2HB       PRO   9  11.893  -4.824   6.830
   68   1HG   PRO   9          1HG       PRO   9  11.726  -4.491   4.197
   69   2HG   PRO   9          2HG       PRO   9  11.274  -6.032   4.951
   70   1HD   PRO   9          1HD       PRO   9   9.530  -3.853   3.884
   71   2HD   PRO   9          2HD       PRO   9   9.305  -5.613   3.825
   72    H    ALA  10           H        ALA  10  10.346  -4.174   9.258
   73    HA   ALA  10           HA       ALA  10   8.856  -1.634   9.463
   74   1HB   ALA  10          1HB       ALA  10   8.522  -2.119  11.827
   75   2HB   ALA  10          2HB       ALA  10   9.428  -3.623  11.667
   76   3HB   ALA  10          3HB       ALA  10   7.885  -3.431  10.837
   77    H    GLN  11           H        GLN  11  11.510  -2.028   8.546
   78    HA   GLN  11           HA       GLN  11  13.103  -0.773  10.670
   79   1HB   GLN  11          1HB       GLN  11  15.073  -1.676   9.465
   80   2HB   GLN  11          2HB       GLN  11  13.987  -2.945  10.017
   81   1HG   GLN  11          1HG       GLN  11  12.981  -2.907   7.700
   82   2HG   GLN  11          2HG       GLN  11  14.345  -1.899   7.226
   83   1HE2  GLN  11          1HE2      GLN  11  13.303  -5.046   8.205
   84   2HE2  GLN  11          2HE2      GLN  11  14.757  -5.886   7.776
   85    H    SER  12           H        SER  12  15.191   0.020   8.885
   86    HA   SER  12           HA       SER  12  14.486   2.542   8.085
   87   1HB   SER  12          1HB       SER  12  16.811   1.605   8.184
   88   2HB   SER  12          2HB       SER  12  16.497   0.768   6.667
   89    HG   SER  12           HG       SER  12  17.493   3.102   6.873
   90    H    MET  13           H        MET  13  13.267   3.378   6.573
   91    HA   MET  13           HA       MET  13  11.561   2.026   4.910
   92   1HB   MET  13          1HB       MET  13  12.664   4.802   4.818
   93   2HB   MET  13          2HB       MET  13  11.608   4.241   3.531
   94   1HG   MET  13          1HG       MET  13   9.875   3.759   5.167
   95   2HG   MET  13          2HG       MET  13  10.936   4.318   6.458
   96   1HE   MET  13          1HE       MET  13   7.973   5.410   5.999
   97   2HE   MET  13          2HE       MET  13   8.232   7.135   6.271
   98   3HE   MET  13          3HE       MET  13   9.036   5.948   7.299
   99    H    ASN  14           H        ASN  14  14.902   2.734   4.333
  100    HA   ASN  14           HA       ASN  14  15.017   2.568   1.558
  101   1HB   ASN  14          1HB       ASN  14  17.029   1.673   3.627
  102   2HB   ASN  14          2HB       ASN  14  17.367   1.746   1.898
  103   1HD2  ASN  14          1HD2      ASN  14  16.979   3.528   4.812
  104   2HD2  ASN  14          2HD2      ASN  14  17.422   5.081   4.172
  105    H    SER  15           H        SER  15  14.798   0.023   3.995
  106    HA   SER  15           HA       SER  15  15.246  -2.082   2.066
  107   1HB   SER  15          1HB       SER  15  14.234  -2.328   4.919
  108   2HB   SER  15          2HB       SER  15  14.973  -3.589   3.925
  109    HG   SER  15           HG       SER  15  16.919  -2.410   3.951
  110    H    ALA  16           H        ALA  16  12.553  -0.798   3.956
  111    HA   ALA  16           HA       ALA  16  10.620  -2.660   3.139
  112   1HB   ALA  16          1HB       ALA  16  10.366  -1.258   5.112
  113   2HB   ALA  16          2HB       ALA  16   8.987  -1.090   4.025
  114   3HB   ALA  16          3HB       ALA  16  10.221   0.170   4.088
  115    H    LEU  17           H        LEU  17  11.394   0.575   1.876
  116    HA   LEU  17           HA       LEU  17   9.301   0.571  -0.042
  117   1HB   LEU  17          1HB       LEU  17  11.843   2.196   0.067
  118   2HB   LEU  17          2HB       LEU  17  10.505   2.501  -1.022
  119    HG   LEU  17           HG       LEU  17  10.365   2.653   1.989
  120   1HD1  LEU  17          1HD1      LEU  17  11.681   4.461   1.022
  121   2HD1  LEU  17          2HD1      LEU  17  10.144   5.053   1.651
  122   3HD1  LEU  17          3HD1      LEU  17  10.363   4.840  -0.086
  123   1HD2  LEU  17          1HD2      LEU  17   8.311   3.308  -0.120
  124   2HD2  LEU  17          2HD2      LEU  17   8.145   3.616   1.609
  125   3HD2  LEU  17          3HD2      LEU  17   8.251   1.959   1.013
  126    H    GLN  18           H        GLN  18  12.720  -0.328  -0.175
  127    HA   GLN  18           HA       GLN  18  12.865  -0.908  -2.912
  128   1HB   GLN  18          1HB       GLN  18  14.802  -0.826  -1.334
  129   2HB   GLN  18          2HB       GLN  18  14.271  -2.362  -0.662
  130   1HG   GLN  18          1HG       GLN  18  16.054  -2.771  -2.188
  131   2HG   GLN  18          2HG       GLN  18  14.561  -3.388  -2.896
  132   1HE2  GLN  18          1HE2      GLN  18  17.037  -0.962  -3.072
  133   2HE2  GLN  18          2HE2      GLN  18  16.630  -0.379  -4.656
  134    H    ALA  19           H        ALA  19  11.854  -2.890  -0.172
  135    HA   ALA  19           HA       ALA  19  11.381  -5.270  -1.631
  136   1HB   ALA  19          1HB       ALA  19  10.190  -6.040   0.332
  137   2HB   ALA  19          2HB       ALA  19  10.105  -4.394   0.958
  138   3HB   ALA  19          3HB       ALA  19  11.666  -5.205   0.821
  139    H    LEU  20           H        LEU  20   9.352  -2.496  -0.824
  140    HA   LEU  20           HA       LEU  20   6.876  -3.646  -1.606
  141   1HB   LEU  20          1HB       LEU  20   6.991  -1.715  -0.116
  142   2HB   LEU  20          2HB       LEU  20   7.755  -0.763  -1.371
  143    HG   LEU  20           HG       LEU  20   5.679  -0.931  -2.720
  144   1HD1  LEU  20          1HD1      LEU  20   3.626  -1.696  -1.636
  145   2HD1  LEU  20          2HD1      LEU  20   4.560  -2.220  -0.234
  146   3HD1  LEU  20          3HD1      LEU  20   4.800  -3.002  -1.798
  147   1HD2  LEU  20          1HD2      LEU  20   5.358   0.213   0.054
  148   2HD2  LEU  20          2HD2      LEU  20   4.367   0.624  -1.348
  149   3HD2  LEU  20          3HD2      LEU  20   6.086   1.022  -1.335
  150    H    ALA  21           H        ALA  21   9.371  -1.788  -3.203
  151    HA   ALA  21           HA       ALA  21   7.942  -1.138  -5.567
  152   1HB   ALA  21          1HB       ALA  21   9.936   0.094  -4.898
  153   2HB   ALA  21          2HB       ALA  21  10.141  -0.596  -6.508
  154   3HB   ALA  21          3HB       ALA  21  10.919  -1.354  -5.117
  155    H    LYS  22           H        LYS  22  10.285  -3.669  -4.775
  156    HA   LYS  22           HA       LYS  22  10.329  -4.916  -7.280
  157   1HB   LYS  22          1HB       LYS  22  12.057  -5.355  -5.666
  158   2HB   LYS  22          2HB       LYS  22  10.889  -6.003  -4.521
  159   1HG   LYS  22          1HG       LYS  22  12.135  -7.795  -5.562
  160   2HG   LYS  22          2HG       LYS  22  10.440  -7.870  -6.044
  161   1HD   LYS  22          1HD       LYS  22  11.040  -6.697  -8.146
  162   2HD   LYS  22          2HD       LYS  22  12.736  -6.778  -7.667
  163   1HE   LYS  22          1HE       LYS  22  10.903  -9.128  -8.143
  164   2HE   LYS  22          2HE       LYS  22  12.184  -8.573  -9.220
  165   1HZ   LYS  22          1HZ       LYS  22  13.763  -9.008  -7.364
  166   2HZ   LYS  22          2HZ       LYS  22  13.009 -10.401  -7.982
  167   3HZ   LYS  22          3HZ       LYS  22  12.489  -9.742  -6.508
  168    H    GLN  23           H        GLN  23   8.367  -5.644  -4.401
  169    HA   GLN  23           HA       GLN  23   7.281  -8.028  -5.478
  170   1HB   GLN  23          1HB       GLN  23   6.364  -6.295  -3.189
  171   2HB   GLN  23          2HB       GLN  23   5.672  -7.866  -3.573
  172   1HG   GLN  23          1HG       GLN  23   7.838  -8.919  -3.217
  173   2HG   GLN  23          2HG       GLN  23   8.549  -7.348  -2.862
  174   1HE2  GLN  23          1HE2      GLN  23   5.352  -8.251  -1.797
  175   2HE2  GLN  23          2HE2      GLN  23   5.740  -8.363  -0.123
  176    H    THR  24           H        THR  24   6.424  -4.731  -5.976
  177    HA   THR  24           HA       THR  24   3.885  -5.608  -7.194
  178    HB   THR  24           HB       THR  24   3.170  -3.211  -7.006
  179    HG1  THR  24           HG1      THR  24   5.338  -2.921  -5.183
  180   1HG2  THR  24          1HG2      THR  24   2.694  -3.289  -4.605
  181   2HG2  THR  24          2HG2      THR  24   3.900  -4.562  -4.407
  182   3HG2  THR  24          3HG2      THR  24   2.444  -4.867  -5.356
  183    H    ASP  25           H        ASP  25   6.906  -5.052  -7.989
  184    HA   ASP  25           HA       ASP  25   8.155  -4.155  -9.655
  185   1HB   ASP  25          1HB       ASP  25   6.679  -5.956 -10.786
  186   2HB   ASP  25          2HB       ASP  25   5.814  -4.592 -11.490
  187    H    THR  26           H        THR  26   7.320  -2.146  -8.247
  188    HA   THR  26           HA       THR  26   6.174  -0.193 -10.124
  189    HB   THR  26           HB       THR  26   5.703   1.143  -8.005
  190    HG1  THR  26           HG1      THR  26   5.650  -1.235  -6.564
  191   1HG2  THR  26          1HG2      THR  26   3.954  -0.032  -9.268
  192   2HG2  THR  26          2HG2      THR  26   3.638  -0.070  -7.532
  193   3HG2  THR  26          3HG2      THR  26   4.282  -1.498  -8.345
  194    H    GLN  27           H        GLN  27   6.980   1.974  -9.996
  195    HA   GLN  27           HA       GLN  27   9.840   2.079  -9.338
  196   1HB   GLN  27          1HB       GLN  27   9.184   2.606 -11.679
  197   2HB   GLN  27          2HB       GLN  27   8.189   3.925 -11.082
  198   1HG   GLN  27          1HG       GLN  27  10.117   5.089 -10.271
  199   2HG   GLN  27          2HG       GLN  27  11.164   3.727 -10.671
  200   1HE2  GLN  27          1HE2      GLN  27  11.663   3.308 -12.815
  201   2HE2  GLN  27          2HE2      GLN  27  11.437   4.495 -14.063
  202    H    LEU  28           H        LEU  28  10.186   2.895  -7.362
  203    HA   LEU  28           HA       LEU  28   8.267   4.859  -6.332
  204   1HB   LEU  28          1HB       LEU  28  10.270   3.126  -4.883
  205   2HB   LEU  28          2HB       LEU  28   9.250   4.320  -4.107
  206    HG   LEU  28           HG       LEU  28   8.326   1.810  -5.506
  207   1HD1  LEU  28          1HD1      LEU  28   9.334   1.442  -3.309
  208   2HD1  LEU  28          2HD1      LEU  28   7.599   1.126  -3.289
  209   3HD1  LEU  28          3HD1      LEU  28   8.229   2.626  -2.605
  210   1HD2  LEU  28          1HD2      LEU  28   6.081   2.433  -4.718
  211   2HD2  LEU  28          2HD2      LEU  28   6.725   3.588  -5.888
  212   3HD2  LEU  28          3HD2      LEU  28   6.720   3.986  -4.168
  213    H    LEU  29           H        LEU  29   8.839   6.893  -6.314
  214    HA   LEU  29           HA       LEU  29  11.696   7.575  -6.432
  215   1HB   LEU  29          1HB       LEU  29   9.968   8.406  -8.170
  216   2HB   LEU  29          2HB       LEU  29   9.386   9.459  -6.900
  217    HG   LEU  29           HG       LEU  29  10.922  10.574  -8.505
  218   1HD1  LEU  29          1HD1      LEU  29  10.673  11.472  -6.254
  219   2HD1  LEU  29          2HD1      LEU  29  12.318  11.696  -6.853
  220   3HD1  LEU  29          3HD1      LEU  29  11.971  10.423  -5.681
  221   1HD2  LEU  29          1HD2      LEU  29  12.381   8.678  -8.963
  222   2HD2  LEU  29          2HD2      LEU  29  12.997   8.744  -7.311
  223   3HD2  LEU  29          3HD2      LEU  29  13.304  10.081  -8.421
  224    H    TYR  30           H        TYR  30  12.479   7.849  -4.444
  225    HA   TYR  30           HA       TYR  30  11.068   9.638  -2.627
  226   1HB   TYR  30          1HB       TYR  30  11.325   8.146  -0.721
  227   2HB   TYR  30          2HB       TYR  30  10.379   7.354  -1.974
  228    HD1  TYR  30           HD1      TYR  30  11.363   5.492  -3.277
  229    HD2  TYR  30           HD2      TYR  30  13.464   7.289  -0.039
  230    HE1  TYR  30           HE1      TYR  30  12.873   3.553  -3.185
  231    HE2  TYR  30           HE2      TYR  30  14.978   5.354   0.056
  232    HH   TYR  30           HH       TYR  30  14.994   2.991  -0.586
  233    H    SER  31           H        SER  31  12.438  10.590  -1.041
  234    HA   SER  31           HA       SER  31  15.252  10.591  -1.830
  235   1HB   SER  31          1HB       SER  31  14.245  12.769  -1.836
  236   2HB   SER  31          2HB       SER  31  13.557  12.521  -0.232
  237    HG   SER  31           HG       SER  31  15.361  13.780  -0.004
  238    HA   PRO  32           HA       PRO  32  15.989   7.991   1.791
  239   1HB   PRO  32          1HB       PRO  32  18.777   8.533   0.938
  240   2HB   PRO  32          2HB       PRO  32  17.980   6.990   1.258
  241   1HG   PRO  32          1HG       PRO  32  18.521   7.759  -1.235
  242   2HG   PRO  32          2HG       PRO  32  17.020   6.898  -0.851
  243   1HD   PRO  32          1HD       PRO  32  17.459   9.807  -1.372
  244   2HD   PRO  32          2HD       PRO  32  16.111   8.762  -1.865
  245    H    GLU  33           H        GLU  33  17.415  11.072   0.960
  246    HA   GLU  33           HA       GLU  33  18.569  11.545   3.537
  247   1HB   GLU  33          1HB       GLU  33  17.963  13.502   1.317
  248   2HB   GLU  33          2HB       GLU  33  19.010  13.797   2.701
  249   1HG   GLU  33          1HG       GLU  33  20.425  11.885   1.910
  250   2HG   GLU  33          2HG       GLU  33  19.451  11.861   0.443
  251    H    ASP  34           H        ASP  34  15.450  12.063   2.088
  252    HA   ASP  34           HA       ASP  34  14.677  13.984   4.133
  253   1HB   ASP  34          1HB       ASP  34  13.292  12.902   1.699
  254   2HB   ASP  34          2HB       ASP  34  12.405  13.803   2.926
  255    H    ILE  35           H        ILE  35  14.414  10.591   3.551
  256    HA   ILE  35           HA       ILE  35  12.442  10.285   5.667
  257    HB   ILE  35           HB       ILE  35  12.799   7.827   5.300
  258   1HG1  ILE  35          1HG1      ILE  35  14.503   8.779   2.986
  259   2HG1  ILE  35          2HG1      ILE  35  15.106   7.978   4.432
  260   1HG2  ILE  35          1HG2      ILE  35  11.576   7.729   3.217
  261   2HG2  ILE  35          2HG2      ILE  35  12.067   9.379   2.823
  262   3HG2  ILE  35          3HG2      ILE  35  10.999   9.080   4.196
  263   1HD1  ILE  35          1HD1      ILE  35  13.209   6.755   2.437
  264   2HD1  ILE  35          2HD1      ILE  35  13.923   5.958   3.839
  265   3HD1  ILE  35          3HD1      ILE  35  14.950   6.476   2.505
  266    H    GLY  36           H        GLY  36  15.844  10.359   5.242
  267   1HA   GLY  36          1HA       GLY  36  17.532  10.395   6.797
  268   2HA   GLY  36          2HA       GLY  36  16.291  10.421   8.037
  269    H    GLY  37           H        GLY  37  15.732   7.775   6.129
  270   1HA   GLY  37          1HA       GLY  37  16.207   5.532   6.320
  271   2HA   GLY  37          2HA       GLY  37  17.643   5.961   7.238
  272    H    LEU  38           H        LEU  38  14.264   6.753   7.964
  273    HA   LEU  38           HA       LEU  38  14.618   5.517  10.585
  274   1HB   LEU  38          1HB       LEU  38  12.460   6.644  11.145
  275   2HB   LEU  38          2HB       LEU  38  13.768   7.732  10.736
  276    HG   LEU  38           HG       LEU  38  12.701   7.786   8.378
  277   1HD1  LEU  38          1HD1      LEU  38  10.278   7.439   8.365
  278   2HD1  LEU  38          2HD1      LEU  38  10.368   6.787  10.001
  279   3HD1  LEU  38          3HD1      LEU  38  11.154   5.938   8.670
  280   1HD2  LEU  38          1HD2      LEU  38  11.256   9.614   9.042
  281   2HD2  LEU  38          2HD2      LEU  38  12.756   9.656   9.970
  282   3HD2  LEU  38          3HD2      LEU  38  11.275   9.052  10.713
  283    H    ARG  39           H        ARG  39  12.410   4.480  11.404
  284    HA   ARG  39           HA       ARG  39  12.137   2.226   9.623
  285   1HB   ARG  39          1HB       ARG  39  10.838   1.199  11.478
  286   2HB   ARG  39          2HB       ARG  39  12.463   1.685  11.923
  287   1HG   ARG  39          1HG       ARG  39  11.676   3.533  13.158
  288   2HG   ARG  39          2HG       ARG  39  10.052   3.378  12.484
  289   1HD   ARG  39          1HD       ARG  39  10.352   2.509  14.834
  290   2HD   ARG  39          2HD       ARG  39   9.644   1.381  13.678
  291    HE   ARG  39           HE       ARG  39  12.451   1.045  13.781
  292   1HH1  ARG  39          1HH1      ARG  39   9.581   0.460  15.697
  293   2HH1  ARG  39          2HH1      ARG  39  10.217  -0.977  16.447
  294   1HH2  ARG  39          1HH2      ARG  39  13.277  -0.867  14.732
  295   2HH2  ARG  39          2HH2      ARG  39  12.317  -1.728  15.894
  296    H    SER  40           H        SER  40  10.444   1.610   8.509
  297    HA   SER  40           HA       SER  40   8.173   3.394   8.270
  298   1HB   SER  40          1HB       SER  40   7.542   1.690   6.463
  299   2HB   SER  40          2HB       SER  40   9.029   2.604   6.202
  300    HG   SER  40           HG       SER  40   8.732  -0.082   7.057
  301    H    SER  41           H        SER  41   5.980   2.421   8.161
  302    HA   SER  41           HA       SER  41   5.503   0.777  10.487
  303   1HB   SER  41          1HB       SER  41   3.490   1.890   8.519
  304   2HB   SER  41          2HB       SER  41   3.182   1.349  10.169
  305    HG   SER  41           HG       SER  41   3.332   3.552  10.263
  306    H    ALA  42           H        ALA  42   5.487  -1.363  10.374
  307    HA   ALA  42           HA       ALA  42   5.701  -2.808   7.974
  308   1HB   ALA  42          1HB       ALA  42   5.481  -4.795   9.373
  309   2HB   ALA  42          2HB       ALA  42   4.945  -3.790  10.721
  310   3HB   ALA  42          3HB       ALA  42   6.588  -3.624  10.096
  311    H    LEU  43           H        LEU  43   4.090  -2.776   6.530
  312    HA   LEU  43           HA       LEU  43   1.375  -3.400   7.481
  313   1HB   LEU  43          1HB       LEU  43   1.737  -1.241   6.237
  314   2HB   LEU  43          2HB       LEU  43   2.191  -2.191   4.835
  315    HG   LEU  43           HG       LEU  43  -0.079  -3.223   4.863
  316   1HD1  LEU  43          1HD1      LEU  43  -0.627  -2.887   7.202
  317   2HD1  LEU  43          2HD1      LEU  43  -1.835  -2.120   6.170
  318   3HD1  LEU  43          3HD1      LEU  43  -0.611  -1.138   6.975
  319   1HD2  LEU  43          1HD2      LEU  43  -1.217  -1.282   3.932
  320   2HD2  LEU  43          2HD2      LEU  43   0.458  -1.353   3.388
  321   3HD2  LEU  43          3HD2      LEU  43  -0.010  -0.216   4.653
  322    H    LYS  44           H        LYS  44   1.822  -5.634   7.595
  323    HA   LYS  44           HA       LYS  44   2.562  -6.927   5.075
  324   1HB   LYS  44          1HB       LYS  44   3.071  -8.911   6.535
  325   2HB   LYS  44          2HB       LYS  44   4.090  -7.504   6.791
  326   1HG   LYS  44          1HG       LYS  44   2.734  -6.918   8.765
  327   2HG   LYS  44          2HG       LYS  44   1.785  -8.384   8.520
  328   1HD   LYS  44          1HD       LYS  44   3.909  -9.694   8.711
  329   2HD   LYS  44          2HD       LYS  44   4.726  -8.195   9.158
  330   1HE   LYS  44          1HE       LYS  44   2.408  -9.441  10.629
  331   2HE   LYS  44          2HE       LYS  44   4.098  -9.530  11.121
  332   1HZ   LYS  44          1HZ       LYS  44   2.568  -6.992  10.829
  333   2HZ   LYS  44          2HZ       LYS  44   4.136  -7.168  11.458
  334   3HZ   LYS  44          3HZ       LYS  44   2.810  -7.804  12.296
  335    H    GLY  45           H        GLY  45   0.934  -7.613   3.914
  336   1HA   GLY  45          1HA       GLY  45  -0.957  -9.493   4.673
  337   2HA   GLY  45          2HA       GLY  45  -1.707  -7.924   4.945
  338    H    ARG  46           H        ARG  46  -3.237  -8.662   3.307
  339    HA   ARG  46           HA       ARG  46  -2.228  -8.600   0.558
  340   1HB   ARG  46          1HB       ARG  46  -3.804 -10.362   0.883
  341   2HB   ARG  46          2HB       ARG  46  -4.915  -9.304   1.743
  342   1HG   ARG  46          1HG       ARG  46  -5.250  -8.037  -0.364
  343   2HG   ARG  46          2HG       ARG  46  -4.252  -9.232  -1.190
  344   1HD   ARG  46          1HD       ARG  46  -5.826 -10.918  -0.917
  345   2HD   ARG  46          2HD       ARG  46  -6.630 -10.084   0.413
  346    HE   ARG  46           HE       ARG  46  -7.120  -8.389  -1.545
  347   1HH1  ARG  46          1HH1      ARG  46  -7.317 -11.894  -1.576
  348   2HH1  ARG  46          2HH1      ARG  46  -8.567 -11.921  -2.787
  349   1HH2  ARG  46          1HH2      ARG  46  -8.752  -8.423  -3.100
  350   2HH2  ARG  46          2HH2      ARG  46  -9.394  -9.953  -3.652
  351    H    HIS  47           H        HIS  47  -1.969  -6.609  -0.232
  352    HA   HIS  47           HA       HIS  47  -4.050  -4.605   0.283
  353   1HB   HIS  47          1HB       HIS  47  -1.084  -4.111   0.652
  354   2HB   HIS  47          2HB       HIS  47  -2.340  -2.884   0.746
  355    HD1  HIS  47           HD1      HIS  47  -4.109  -3.244   2.782
  356    HD2  HIS  47           HD2      HIS  47  -0.510  -5.328   3.006
  357    HE1  HIS  47           HE1      HIS  47  -3.886  -3.965   5.182
  358    HE2  HIS  47           HE2      HIS  47  -1.647  -5.116   5.326
  359    H    ASP  48           H        ASP  48  -4.262  -3.037  -1.294
  360    HA   ASP  48           HA       ASP  48  -2.998  -3.521  -3.855
  361   1HB   ASP  48          1HB       ASP  48  -5.335  -2.910  -3.906
  362   2HB   ASP  48          2HB       ASP  48  -5.045  -1.496  -2.904
  363    H    LEU  49           H        LEU  49  -1.915  -1.630  -5.004
  364    HA   LEU  49           HA       LEU  49   0.257  -0.706  -3.511
  365   1HB   LEU  49          1HB       LEU  49   0.244  -0.879  -5.965
  366   2HB   LEU  49          2HB       LEU  49  -0.902   0.445  -6.052
  367    HG   LEU  49           HG       LEU  49   0.808   1.947  -5.052
  368   1HD1  LEU  49          1HD1      LEU  49   3.138   1.199  -4.973
  369   2HD1  LEU  49          2HD1      LEU  49   2.626  -0.437  -5.386
  370   3HD1  LEU  49          3HD1      LEU  49   2.123   0.285  -3.858
  371   1HD2  LEU  49          1HD2      LEU  49   2.212   2.089  -7.064
  372   2HD2  LEU  49          2HD2      LEU  49   0.509   1.868  -7.459
  373   3HD2  LEU  49          3HD2      LEU  49   1.624   0.509  -7.575
  374    H    GLN  50           H        GLN  50  -2.618   1.057  -4.627
  375    HA   GLN  50           HA       GLN  50  -2.096   3.523  -3.442
  376   1HB   GLN  50          1HB       GLN  50  -3.835   3.094  -5.134
  377   2HB   GLN  50          2HB       GLN  50  -4.749   2.170  -3.955
  378   1HG   GLN  50          1HG       GLN  50  -4.891   4.263  -2.576
  379   2HG   GLN  50          2HG       GLN  50  -4.209   5.123  -3.956
  380   1HE2  GLN  50          1HE2      GLN  50  -6.369   2.400  -4.218
  381   2HE2  GLN  50          2HE2      GLN  50  -7.717   3.270  -4.867
  382    H    SER  51           H        SER  51  -3.818   0.699  -2.181
  383    HA   SER  51           HA       SER  51  -4.672   1.820   0.246
  384   1HB   SER  51          1HB       SER  51  -3.981  -1.071  -0.323
  385   2HB   SER  51          2HB       SER  51  -5.045  -0.478   0.955
  386    HG   SER  51           HG       SER  51  -6.440   0.319  -0.667
  387    H    SER  52           H        SER  52  -1.770  -0.055  -0.562
  388    HA   SER  52           HA       SER  52  -0.638  -0.142   1.995
  389   1HB   SER  52          1HB       SER  52   0.832  -0.046  -0.650
  390   2HB   SER  52          2HB       SER  52   1.445  -0.690   0.875
  391    HG   SER  52           HG       SER  52  -0.560  -1.727  -0.821
  392    H    LEU  53           H        LEU  53  -0.251   2.222  -0.626
  393    HA   LEU  53           HA       LEU  53   1.714   3.797   0.588
  394   1HB   LEU  53          1HB       LEU  53  -0.456   4.607  -1.348
  395   2HB   LEU  53          2HB       LEU  53   0.949   5.576  -0.950
  396    HG   LEU  53           HG       LEU  53   1.049   2.869  -2.283
  397   1HD1  LEU  53          1HD1      LEU  53   1.398   5.632  -3.445
  398   2HD1  LEU  53          2HD1      LEU  53   0.035   4.549  -3.728
  399   3HD1  LEU  53          3HD1      LEU  53   1.643   4.107  -4.299
  400   1HD2  LEU  53          1HD2      LEU  53   3.396   3.447  -2.703
  401   2HD2  LEU  53          2HD2      LEU  53   3.044   3.347  -0.978
  402   3HD2  LEU  53          3HD2      LEU  53   3.198   4.922  -1.757
  403    H    ARG  54           H        ARG  54  -1.831   4.120   0.639
  404    HA   ARG  54           HA       ARG  54  -1.898   6.596   1.947
  405   1HB   ARG  54          1HB       ARG  54  -3.916   4.388   1.702
  406   2HB   ARG  54          2HB       ARG  54  -4.269   5.872   2.579
  407   1HG   ARG  54          1HG       ARG  54  -3.756   7.159   0.531
  408   2HG   ARG  54          2HG       ARG  54  -3.523   5.637  -0.330
  409   1HD   ARG  54          1HD       ARG  54  -5.817   5.018   0.035
  410   2HD   ARG  54          2HD       ARG  54  -6.073   6.423   1.069
  411    HE   ARG  54           HE       ARG  54  -5.196   7.336  -1.425
  412   1HH1  ARG  54          1HH1      ARG  54  -7.989   5.708  -0.049
  413   2HH1  ARG  54          2HH1      ARG  54  -9.101   6.393  -1.199
  414   1HH2  ARG  54          1HH2      ARG  54  -6.682   8.219  -2.937
  415   2HH2  ARG  54          2HH2      ARG  54  -8.367   7.810  -2.815
  416    H    ILE  55           H        ILE  55  -1.974   3.308   3.305
  417    HA   ILE  55           HA       ILE  55  -2.480   4.164   5.962
  418    HB   ILE  55           HB       ILE  55  -1.167   1.597   5.061
  419   1HG1  ILE  55          1HG1      ILE  55  -4.071   2.210   5.677
  420   2HG1  ILE  55          2HG1      ILE  55  -3.405   1.979   4.064
  421   1HG2  ILE  55          1HG2      ILE  55  -0.782   2.036   7.420
  422   2HG2  ILE  55          2HG2      ILE  55  -1.947   0.725   7.237
  423   3HG2  ILE  55          3HG2      ILE  55  -2.499   2.345   7.667
  424   1HD1  ILE  55          1HD1      ILE  55  -4.550  -0.013   4.794
  425   2HD1  ILE  55          2HD1      ILE  55  -3.552  -0.088   6.247
  426   3HD1  ILE  55          3HD1      ILE  55  -2.819  -0.331   4.660
  427    H    LEU  56           H        LEU  56   0.509   3.452   4.195
  428    HA   LEU  56           HA       LEU  56   2.233   3.864   6.432
  429   1HB   LEU  56          1HB       LEU  56   2.727   2.591   4.275
  430   2HB   LEU  56          2HB       LEU  56   2.953   4.153   3.516
  431    HG   LEU  56           HG       LEU  56   4.568   3.411   5.937
  432   1HD1  LEU  56          1HD1      LEU  56   4.820   1.557   4.365
  433   2HD1  LEU  56          2HD1      LEU  56   6.295   2.519   4.461
  434   3HD1  LEU  56          3HD1      LEU  56   5.215   2.697   3.077
  435   1HD2  LEU  56          1HD2      LEU  56   5.128   5.160   3.544
  436   2HD2  LEU  56          2HD2      LEU  56   6.187   4.927   4.934
  437   3HD2  LEU  56          3HD2      LEU  56   4.630   5.729   5.137
  438    H    LEU  57           H        LEU  57   0.906   5.881   3.911
  439    HA   LEU  57           HA       LEU  57   2.568   8.153   4.362
  440   1HB   LEU  57          1HB       LEU  57   1.190   7.487   2.289
  441   2HB   LEU  57          2HB       LEU  57  -0.169   8.207   3.128
  442    HG   LEU  57           HG       LEU  57   1.230  10.327   3.270
  443   1HD1  LEU  57          1HD1      LEU  57   3.392   9.347   2.806
  444   2HD1  LEU  57          2HD1      LEU  57   2.990  10.545   1.576
  445   3HD1  LEU  57          3HD1      LEU  57   2.837   8.825   1.214
  446   1HD2  LEU  57          1HD2      LEU  57   0.394   9.303   0.562
  447   2HD2  LEU  57          2HD2      LEU  57   0.630  10.995   1.000
  448   3HD2  LEU  57          3HD2      LEU  57  -0.662  10.061   1.756
  449    H    GLN  58           H        GLN  58  -0.034   6.849   6.047
  450    HA   GLN  58           HA       GLN  58  -1.534   9.079   6.818
  451   1HB   GLN  58          1HB       GLN  58  -2.213   6.720   7.183
  452   2HB   GLN  58          2HB       GLN  58  -1.012   6.600   8.464
  453   1HG   GLN  58          1HG       GLN  58  -2.166   8.328   9.724
  454   2HG   GLN  58          2HG       GLN  58  -3.354   8.486   8.432
  455   1HE2  GLN  58          1HE2      GLN  58  -3.691   7.797  11.235
  456   2HE2  GLN  58          2HE2      GLN  58  -4.511   6.270  11.248
  457    H    GLY  59           H        GLY  59   1.521   7.867   8.055
  458   1HA   GLY  59          1HA       GLY  59   1.431   9.974  10.125
  459   2HA   GLY  59          2HA       GLY  59   2.255   8.439  10.337
  460    H    THR  60           H        THR  60   2.681   9.689   7.205
  461    HA   THR  60           HA       THR  60   5.374  10.542   7.985
  462    HB   THR  60           HB       THR  60   5.851  10.344   5.495
  463    HG1  THR  60           HG1      THR  60   4.016   8.579   4.887
  464   1HG2  THR  60          1HG2      THR  60   4.982   7.877   7.006
  465   2HG2  THR  60          2HG2      THR  60   6.565   8.653   7.107
  466   3HG2  THR  60          3HG2      THR  60   6.046   7.898   5.599
  467    H    GLY  61           H        GLY  61   2.460  11.985   7.289
  468   1HA   GLY  61          1HA       GLY  61   1.794  14.042   6.562
  469   2HA   GLY  61          2HA       GLY  61   3.382  14.570   7.080
  470    H    LEU  62           H        LEU  62   3.238  12.233   4.543
  471    HA   LEU  62           HA       LEU  62   4.166  14.317   2.692
  472   1HB   LEU  62          1HB       LEU  62   4.654  11.335   2.679
  473   2HB   LEU  62          2HB       LEU  62   5.253  12.454   1.469
  474    HG   LEU  62           HG       LEU  62   5.994  12.512   4.395
  475   1HD1  LEU  62          1HD1      LEU  62   8.184  11.711   3.630
  476   2HD1  LEU  62          2HD1      LEU  62   7.539  11.535   1.998
  477   3HD1  LEU  62          3HD1      LEU  62   6.902  10.544   3.310
  478   1HD2  LEU  62          1HD2      LEU  62   6.068  14.712   3.352
  479   2HD2  LEU  62          2HD2      LEU  62   7.059  14.070   2.043
  480   3HD2  LEU  62          3HD2      LEU  62   7.697  14.121   3.687
  481    H    ARG  63           H        ARG  63   3.827  13.428   0.287
  482    HA   ARG  63           HA       ARG  63   1.051  12.481   0.049
  483   1HB   ARG  63          1HB       ARG  63   2.272  14.559  -1.759
  484   2HB   ARG  63          2HB       ARG  63   0.585  14.059  -1.677
  485   1HG   ARG  63          1HG       ARG  63   2.053  15.401   0.560
  486   2HG   ARG  63          2HG       ARG  63   1.080  16.263  -0.630
  487   1HD   ARG  63          1HD       ARG  63  -0.906  15.170   0.120
  488   2HD   ARG  63          2HD       ARG  63   0.021  14.066   1.144
  489    HE   ARG  63           HE       ARG  63   0.422  16.847   1.768
  490   1HH1  ARG  63          1HH1      ARG  63  -1.601  14.055   2.409
  491   2HH1  ARG  63          2HH1      ARG  63  -2.123  14.636   3.963
  492   1HH2  ARG  63          1HH2      ARG  63  -0.227  17.585   3.796
  493   2HH2  ARG  63          2HH2      ARG  63  -1.322  16.646   4.762
  494    H    TYR  64           H        TYR  64   0.603  11.584  -2.171
  495    HA   TYR  64           HA       TYR  64   3.059  10.449  -3.335
  496   1HB   TYR  64          1HB       TYR  64   1.884   8.329  -3.745
  497   2HB   TYR  64          2HB       TYR  64   1.978   8.700  -2.030
  498    HD1  TYR  64           HD1      TYR  64  -0.005   9.019  -0.734
  499    HD2  TYR  64           HD2      TYR  64  -0.283   8.529  -4.951
  500    HE1  TYR  64           HE1      TYR  64  -2.432   8.697  -0.530
  501    HE2  TYR  64           HE2      TYR  64  -2.713   8.207  -4.757
  502    HH   TYR  64           HH       TYR  64  -4.431   7.918  -3.358
  503    H    GLN  65           H        GLN  65   3.308  10.765  -5.420
  504    HA   GLN  65           HA       GLN  65   0.937  11.344  -7.061
  505   1HB   GLN  65          1HB       GLN  65   3.873  11.876  -7.574
  506   2HB   GLN  65          2HB       GLN  65   2.588  12.193  -8.733
  507   1HG   GLN  65          1HG       GLN  65   1.583  13.796  -7.219
  508   2HG   GLN  65          2HG       GLN  65   2.818  13.453  -6.010
  509   1HE2  GLN  65          1HE2      GLN  65   2.091  15.950  -7.364
  510   2HE2  GLN  65          2HE2      GLN  65   3.553  16.521  -8.100
  511    H    ILE  66           H        ILE  66   0.165   9.653  -8.138
  512    HA   ILE  66           HA       ILE  66   2.036   7.462  -8.754
  513    HB   ILE  66           HB       ILE  66   0.536   6.765  -7.008
  514   1HG1  ILE  66          1HG1      ILE  66  -0.305   5.561  -9.654
  515   2HG1  ILE  66          2HG1      ILE  66   1.116   5.101  -8.722
  516   1HG2  ILE  66          1HG2      ILE  66  -1.714   7.585  -8.840
  517   2HG2  ILE  66          2HG2      ILE  66  -1.263   8.342  -7.313
  518   3HG2  ILE  66          3HG2      ILE  66  -1.907   6.700  -7.326
  519   1HD1  ILE  66          1HD1      ILE  66  -0.698   3.510  -8.437
  520   2HD1  ILE  66          2HD1      ILE  66  -1.743   4.796  -7.835
  521   3HD1  ILE  66          3HD1      ILE  66  -0.315   4.317  -6.917
  522    H    ASP  67           H        ASP  67   2.214   6.829 -10.784
  523    HA   ASP  67           HA       ASP  67   0.023   7.273 -12.669
  524   1HB   ASP  67          1HB       ASP  67   1.533   9.262 -12.814
  525   2HB   ASP  67          2HB       ASP  67   2.859   8.181 -13.231
  526    H    GLY  68           H        GLY  68  -0.333   5.352 -13.588
  527   1HA   GLY  68          1HA       GLY  68   0.023   3.234 -14.407
  528   2HA   GLY  68          2HA       GLY  68   1.665   3.746 -14.770
  529    H    ASN  69           H        ASN  69   3.301   2.976 -13.573
  530    HA   ASN  69           HA       ASN  69   2.642   1.625 -11.033
  531   1HB   ASN  69          1HB       ASN  69   4.344   0.669 -13.294
  532   2HB   ASN  69          2HB       ASN  69   4.849   0.278 -11.656
  533   1HD2  ASN  69          1HD2      ASN  69   4.492  -1.894 -11.781
  534   2HD2  ASN  69          2HD2      ASN  69   2.919  -2.593 -11.950
  535    H    THR  70           H        THR  70   3.736   4.321 -12.053
  536    HA   THR  70           HA       THR  70   6.238   4.372 -10.516
  537    HB   THR  70           HB       THR  70   5.101   6.428 -12.433
  538    HG1  THR  70           HG1      THR  70   7.439   5.436 -13.221
  539   1HG2  THR  70          1HG2      THR  70   7.782   6.336 -11.035
  540   2HG2  THR  70          2HG2      THR  70   6.473   7.462 -10.678
  541   3HG2  THR  70          3HG2      THR  70   7.291   7.524 -12.239
  542    H    VAL  71           H        VAL  71   6.293   5.283  -8.585
  543    HA   VAL  71           HA       VAL  71   4.077   7.049  -7.770
  544    HB   VAL  71           HB       VAL  71   5.457   5.078  -5.943
  545   1HG1  VAL  71          1HG1      VAL  71   3.561   5.569  -4.448
  546   2HG1  VAL  71          2HG1      VAL  71   2.983   6.768  -5.605
  547   3HG1  VAL  71          3HG1      VAL  71   4.535   6.996  -4.799
  548   1HG2  VAL  71          1HG2      VAL  71   2.780   4.809  -7.304
  549   2HG2  VAL  71          2HG2      VAL  71   3.412   3.727  -6.063
  550   3HG2  VAL  71          3HG2      VAL  71   4.217   3.841  -7.630
  551    H    THR  72           H        THR  72   4.801   8.993  -7.243
  552    HA   THR  72           HA       THR  72   7.601   9.256  -6.365
  553    HB   THR  72           HB       THR  72   5.809  11.347  -7.630
  554    HG1  THR  72           HG1      THR  72   7.098   9.353  -8.763
  555   1HG2  THR  72          1HG2      THR  72   8.755  11.410  -6.954
  556   2HG2  THR  72          2HG2      THR  72   7.483  12.336  -6.156
  557   3HG2  THR  72          3HG2      THR  72   7.882  12.658  -7.841
  558    H    VAL  73           H        VAL  73   7.802   9.562  -4.250
  559    HA   VAL  73           HA       VAL  73   5.602  10.541  -2.647
  560    HB   VAL  73           HB       VAL  73   8.444   9.948  -1.799
  561   1HG1  VAL  73          1HG1      VAL  73   5.905  10.152  -0.189
  562   2HG1  VAL  73          2HG1      VAL  73   7.202  11.346  -0.230
  563   3HG1  VAL  73          3HG1      VAL  73   7.503   9.742   0.439
  564   1HG2  VAL  73          1HG2      VAL  73   7.592   7.768  -1.058
  565   2HG2  VAL  73          2HG2      VAL  73   7.444   7.971  -2.803
  566   3HG2  VAL  73          3HG2      VAL  73   6.025   8.146  -1.772
  567    H    THR  74           H        THR  74   5.271  12.632  -2.161
  568    HA   THR  74           HA       THR  74   7.508  14.505  -2.451
  569    HB   THR  74           HB       THR  74   6.303  14.471  -4.601
  570    HG1  THR  74           HG1      THR  74   6.574  16.568  -4.720
  571   1HG2  THR  74          1HG2      THR  74   3.912  15.347  -2.970
  572   2HG2  THR  74          2HG2      THR  74   4.098  13.802  -3.801
  573   3HG2  THR  74          3HG2      THR  74   3.992  15.297  -4.734
  574    H    ALA  75           H        ALA  75   6.942  16.667  -1.593
  575    HA   ALA  75           HA       ALA  75   5.294  16.412   0.803
  576   1HB   ALA  75          1HB       ALA  75   6.526  18.314   1.677
  577   2HB   ALA  75          2HB       ALA  75   7.368  18.494   0.138
  578   3HB   ALA  75          3HB       ALA  75   7.644  17.063   1.131
  579    H    SER  76           H        SER  76   3.334  17.297   0.773
  580    HA   SER  76           HA       SER  76   2.874  19.850  -0.503
  581   1HB   SER  76          1HB       SER  76   1.268  17.434  -1.372
  582   2HB   SER  76          2HB       SER  76   1.060  19.090  -1.933
  583    HG   SER  76           HG       SER  76   3.583  18.488  -2.346
  584    H    ALA  77           H        ALA  77   0.610  20.598  -0.095
  585    HA   ALA  77           HA       ALA  77  -0.715  19.261   2.159
  586   1HB   ALA  77          1HB       ALA  77   0.737  20.967   3.148
  587   2HB   ALA  77          2HB       ALA  77  -0.966  21.386   3.346
  588   3HB   ALA  77          3HB       ALA  77   0.005  22.195   2.115
  589    H    ALA  78           H        ALA  78  -2.940  19.601   2.230
  590    HA   ALA  78           HA       ALA  78  -4.101  20.570  -0.248
  591   1HB   ALA  78          1HB       ALA  78  -6.189  19.640   0.597
  592   2HB   ALA  78          2HB       ALA  78  -5.428  19.325   2.157
  593   3HB   ALA  78          3HB       ALA  78  -4.886  18.455   0.723
  594    H    ALA  79           H        ALA  79  -6.433  21.667   0.339
  595    HA   ALA  79           HA       ALA  79  -7.422  23.656   0.803
  596   1HB   ALA  79          1HB       ALA  79  -5.758  23.549   3.324
  597   2HB   ALA  79          2HB       ALA  79  -7.352  22.823   3.112
  598   3HB   ALA  79          3HB       ALA  79  -7.166  24.577   3.050
  599    H    LYS  80           H        LYS  80  -5.788  24.073  -1.065
  600    HA   LYS  80           HA       LYS  80  -3.605  25.845  -0.352
  601   1HB   LYS  80          1HB       LYS  80  -4.537  24.796  -3.029
  602   2HB   LYS  80          2HB       LYS  80  -3.112  25.799  -2.789
  603   1HG   LYS  80          1HG       LYS  80  -2.151  24.060  -1.349
  604   2HG   LYS  80          2HG       LYS  80  -3.565  23.051  -1.646
  605   1HD   LYS  80          1HD       LYS  80  -1.843  22.295  -3.100
  606   2HD   LYS  80          2HD       LYS  80  -3.017  23.160  -4.088
  607   1HE   LYS  80          1HE       LYS  80  -0.584  24.545  -3.007
  608   2HE   LYS  80          2HE       LYS  80  -0.500  23.583  -4.479
  609   1HZ   LYS  80          1HZ       LYS  80  -0.883  25.937  -4.929
  610   2HZ   LYS  80          2HZ       LYS  80  -2.331  25.884  -4.052
  611   3HZ   LYS  80          3HZ       LYS  80  -2.171  24.982  -5.474
  612    H    ASP  81           H        ASP  81  -5.996  26.913   0.370
  613    HA   ASP  81           HA       ASP  81  -7.139  28.857   0.366
  614   1HB   ASP  81          1HB       ASP  81  -4.956  29.695  -1.545
  615   2HB   ASP  81          2HB       ASP  81  -6.165  30.796  -0.890
  616    H    GLY  82           H        GLY  82  -6.169  29.290  -2.990
  617   1HA   GLY  82          1HA       GLY  82  -7.965  28.258  -4.591
  618   2HA   GLY  82          2HA       GLY  82  -9.013  29.349  -3.691
  Start of MODEL    7
    1   1H    SER   1          1H        SER   1  -8.776  -2.247  -9.600
    2   2H    SER   1          2H        SER   1  -8.749  -3.792 -10.292
    3   3H    SER   1          3H        SER   1  -7.411  -3.231  -9.415
    4    HA   SER   1           HA       SER   1  -8.751  -3.145  -7.410
    5   1HB   SER   1          1HB       SER   1 -10.955  -4.567  -7.701
    6   2HB   SER   1          2HB       SER   1 -10.946  -2.839  -8.049
    7    HG   SER   1           HG       SER   1 -11.373  -4.947  -9.718
    8    H    GLN   2           H        GLN   2  -6.645  -4.480  -7.805
    9    HA   GLN   2           HA       GLN   2  -7.364  -7.244  -7.117
   10   1HB   GLN   2          1HB       GLN   2  -5.008  -6.358  -8.794
   11   2HB   GLN   2          2HB       GLN   2  -5.211  -7.980  -8.148
   12   1HG   GLN   2          1HG       GLN   2  -7.373  -8.100  -9.426
   13   2HG   GLN   2          2HG       GLN   2  -6.899  -6.593 -10.209
   14   1HE2  GLN   2          1HE2      GLN   2  -4.673  -9.130  -9.274
   15   2HE2  GLN   2          2HE2      GLN   2  -4.236  -9.600 -10.884
   16    H    GLU   3           H        GLU   3  -6.028  -8.190  -5.511
   17    HA   GLU   3           HA       GLU   3  -4.718  -6.148  -3.869
   18   1HB   GLU   3          1HB       GLU   3  -5.881  -8.838  -3.134
   19   2HB   GLU   3          2HB       GLU   3  -4.957  -7.842  -2.016
   20   1HG   GLU   3          1HG       GLU   3  -6.611  -6.034  -2.326
   21   2HG   GLU   3          2HG       GLU   3  -7.563  -7.117  -3.342
   22    H    TRP   4           H        TRP   4  -2.741  -6.454  -2.980
   23    HA   TRP   4           HA       TRP   4  -1.111  -8.593  -4.176
   24   1HB   TRP   4          1HB       TRP   4  -0.405  -5.814  -3.234
   25   2HB   TRP   4          2HB       TRP   4   0.822  -7.052  -3.467
   26    HD1  TRP   4           HD1      TRP   4   1.518  -7.648  -5.935
   27    HE1  TRP   4           HE1      TRP   4   1.061  -6.541  -8.213
   28    HE3  TRP   4           HE3      TRP   4  -2.272  -4.499  -4.559
   29    HZ2  TRP   4           HZ2      TRP   4  -0.682  -4.606  -9.281
   30    HZ3  TRP   4           HZ3      TRP   4  -3.280  -3.058  -6.276
   31    HH2  TRP   4           HH2      TRP   4  -2.498  -3.111  -8.589
   32    H    THR   5           H        THR   5  -0.039  -9.976  -2.835
   33    HA   THR   5           HA       THR   5  -0.595  -9.721   0.019
   34    HB   THR   5           HB       THR   5   0.887 -11.954  -1.389
   35    HG1  THR   5           HG1      THR   5  -1.766 -11.294  -1.443
   36   1HG2  THR   5          1HG2      THR   5  -0.554 -11.813   1.262
   37   2HG2  THR   5          2HG2      THR   5   1.193 -11.892   1.029
   38   3HG2  THR   5          3HG2      THR   5   0.181 -13.265   0.578
   39    H    LEU   6           H        LEU   6   0.703  -8.239   0.871
   40    HA   LEU   6           HA       LEU   6   3.467  -8.039  -0.087
   41   1HB   LEU   6          1HB       LEU   6   1.800  -6.055   1.465
   42   2HB   LEU   6          2HB       LEU   6   3.417  -5.773   0.848
   43    HG   LEU   6           HG       LEU   6   0.994  -6.297  -0.877
   44   1HD1  LEU   6          1HD1      LEU   6   2.420  -3.721  -0.227
   45   2HD1  LEU   6          2HD1      LEU   6   0.796  -4.172   0.288
   46   3HD1  LEU   6          3HD1      LEU   6   1.136  -3.913  -1.423
   47   1HD2  LEU   6          1HD2      LEU   6   3.773  -5.365  -1.587
   48   2HD2  LEU   6          2HD2      LEU   6   2.429  -5.605  -2.705
   49   3HD2  LEU   6          3HD2      LEU   6   3.136  -6.986  -1.867
   50    H    ASP   7           H        ASP   7   5.151  -7.672   1.367
   51    HA   ASP   7           HA       ASP   7   4.614  -8.021   4.219
   52   1HB   ASP   7          1HB       ASP   7   5.307 -10.246   3.265
   53   2HB   ASP   7          2HB       ASP   7   6.838  -9.507   2.803
   54    H    ILE   8           H        ILE   8   5.145  -6.022   4.792
   55    HA   ILE   8           HA       ILE   8   7.563  -4.827   3.641
   56    HB   ILE   8           HB       ILE   8   5.050  -3.580   4.739
   57   1HG1  ILE   8          1HG1      ILE   8   6.347  -3.446   2.008
   58   2HG1  ILE   8          2HG1      ILE   8   5.030  -4.530   2.437
   59   1HG2  ILE   8          1HG2      ILE   8   6.969  -2.242   5.456
   60   2HG2  ILE   8          2HG2      ILE   8   6.034  -1.400   4.221
   61   3HG2  ILE   8          3HG2      ILE   8   7.555  -2.183   3.793
   62   1HD1  ILE   8          1HD1      ILE   8   3.600  -2.605   2.876
   63   2HD1  ILE   8          2HD1      ILE   8   4.220  -2.606   1.224
   64   3HD1  ILE   8          3HD1      ILE   8   4.923  -1.526   2.430
   65    HA   PRO   9           HA       PRO   9   9.527  -5.426   7.553
   66   1HB   PRO   9          1HB       PRO   9  11.320  -3.331   6.430
   67   2HB   PRO   9          2HB       PRO   9  11.717  -4.937   7.065
   68   1HG   PRO   9          1HG       PRO   9  11.753  -4.497   4.456
   69   2HG   PRO   9          2HG       PRO   9  11.072  -6.007   5.096
   70   1HD   PRO   9          1HD       PRO   9   9.650  -3.553   4.120
   71   2HD   PRO   9          2HD       PRO   9   9.275  -5.264   3.822
   72    H    ALA  10           H        ALA  10   9.962  -4.362   9.449
   73    HA   ALA  10           HA       ALA  10   8.910  -1.619   9.726
   74   1HB   ALA  10          1HB       ALA  10   7.838  -3.275  11.170
   75   2HB   ALA  10          2HB       ALA  10   8.772  -2.130  12.133
   76   3HB   ALA  10          3HB       ALA  10   9.409  -3.746  11.821
   77    H    GLN  11           H        GLN  11  11.416  -2.270   8.575
   78    HA   GLN  11           HA       GLN  11  13.382  -1.378  10.558
   79   1HB   GLN  11          1HB       GLN  11  13.840  -2.301   7.708
   80   2HB   GLN  11          2HB       GLN  11  15.060  -2.073   8.952
   81   1HG   GLN  11          1HG       GLN  11  14.196  -3.938  10.207
   82   2HG   GLN  11          2HG       GLN  11  12.860  -4.121   9.072
   83   1HE2  GLN  11          1HE2      GLN  11  14.648  -3.535   6.777
   84   2HE2  GLN  11          2HE2      GLN  11  15.544  -4.987   6.524
   85    H    SER  12           H        SER  12  15.138  -0.224   8.601
   86    HA   SER  12           HA       SER  12  14.342   2.411   8.418
   87   1HB   SER  12          1HB       SER  12  16.119   0.991   6.424
   88   2HB   SER  12          2HB       SER  12  16.159   2.698   6.864
   89    HG   SER  12           HG       SER  12  17.515   2.149   8.359
   90    H    MET  13           H        MET  13  13.196   3.591   7.038
   91    HA   MET  13           HA       MET  13  11.102   2.629   5.555
   92   1HB   MET  13          1HB       MET  13  11.394   4.975   6.301
   93   2HB   MET  13          2HB       MET  13  12.600   5.205   5.045
   94   1HG   MET  13          1HG       MET  13  10.541   6.141   4.301
   95   2HG   MET  13          2HG       MET  13  10.866   4.691   3.351
   96   1HE   MET  13          1HE       MET  13   8.745   6.273   6.241
   97   2HE   MET  13          2HE       MET  13   9.521   4.915   7.058
   98   3HE   MET  13          3HE       MET  13   7.778   4.898   6.778
   99    H    ASN  14           H        ASN  14  14.397   3.087   4.541
  100    HA   ASN  14           HA       ASN  14  14.199   2.920   1.787
  101   1HB   ASN  14          1HB       ASN  14  16.288   1.900   3.704
  102   2HB   ASN  14          2HB       ASN  14  16.469   1.739   1.962
  103   1HD2  ASN  14          1HD2      ASN  14  17.046   3.472   0.770
  104   2HD2  ASN  14          2HD2      ASN  14  17.434   5.021   1.440
  105    H    SER  15           H        SER  15  14.077   0.317   4.207
  106    HA   SER  15           HA       SER  15  14.208  -1.766   2.238
  107   1HB   SER  15          1HB       SER  15  13.402  -1.902   5.155
  108   2HB   SER  15          2HB       SER  15  13.833  -3.268   4.125
  109    HG   SER  15           HG       SER  15  15.922  -2.391   3.930
  110    H    ALA  16           H        ALA  16  11.694  -0.198   4.159
  111    HA   ALA  16           HA       ALA  16   9.499  -1.762   3.452
  112   1HB   ALA  16          1HB       ALA  16   9.463   0.004   5.164
  113   2HB   ALA  16          2HB       ALA  16   8.144   0.170   4.006
  114   3HB   ALA  16          3HB       ALA  16   9.555   1.222   3.892
  115    H    LEU  17           H        LEU  17  10.744   1.172   1.876
  116    HA   LEU  17           HA       LEU  17   8.895   1.120  -0.264
  117   1HB   LEU  17          1HB       LEU  17  11.625   2.404  -0.087
  118   2HB   LEU  17          2HB       LEU  17  10.436   2.733  -1.335
  119    HG   LEU  17           HG       LEU  17  10.035   3.278   1.608
  120   1HD1  LEU  17          1HD1      LEU  17  10.661   5.169  -0.654
  121   2HD1  LEU  17          2HD1      LEU  17  11.743   4.733   0.669
  122   3HD1  LEU  17          3HD1      LEU  17  10.262   5.635   0.999
  123   1HD2  LEU  17          1HD2      LEU  17   8.375   4.018  -0.801
  124   2HD2  LEU  17          2HD2      LEU  17   8.068   4.528   0.860
  125   3HD2  LEU  17          3HD2      LEU  17   7.952   2.821   0.425
  126    H    GLN  18           H        GLN  18  12.220  -0.051   0.057
  127    HA   GLN  18           HA       GLN  18  12.605  -0.912  -2.566
  128   1HB   GLN  18          1HB       GLN  18  14.346  -0.746  -0.773
  129   2HB   GLN  18          2HB       GLN  18  13.695  -2.220  -0.071
  130   1HG   GLN  18          1HG       GLN  18  14.251  -3.444  -2.100
  131   2HG   GLN  18          2HG       GLN  18  14.888  -1.964  -2.820
  132   1HE2  GLN  18          1HE2      GLN  18  16.789  -1.052  -1.969
  133   2HE2  GLN  18          2HE2      GLN  18  17.901  -2.004  -1.043
  134    H    ALA  19           H        ALA  19  11.291  -2.651   0.228
  135    HA   ALA  19           HA       ALA  19  10.878  -5.106  -1.126
  136   1HB   ALA  19          1HB       ALA  19   9.504  -5.730   0.783
  137   2HB   ALA  19          2HB       ALA  19   9.476  -4.053   1.327
  138   3HB   ALA  19          3HB       ALA  19  10.993  -4.952   1.317
  139    H    LEU  20           H        LEU  20   8.931  -2.193  -0.755
  140    HA   LEU  20           HA       LEU  20   6.456  -3.312  -1.571
  141   1HB   LEU  20          1HB       LEU  20   6.595  -1.207  -0.345
  142   2HB   LEU  20          2HB       LEU  20   7.466  -0.466  -1.674
  143    HG   LEU  20           HG       LEU  20   5.457  -0.748  -3.107
  144   1HD1  LEU  20          1HD1      LEU  20   4.129  -1.612  -0.538
  145   2HD1  LEU  20          2HD1      LEU  20   4.465  -2.653  -1.921
  146   3HD1  LEU  20          3HD1      LEU  20   3.325  -1.318  -2.081
  147   1HD2  LEU  20          1HD2      LEU  20   5.876   1.359  -1.981
  148   2HD2  LEU  20          2HD2      LEU  20   5.055   0.772  -0.534
  149   3HD2  LEU  20          3HD2      LEU  20   4.145   1.024  -2.024
  150    H    ALA  21           H        ALA  21   9.139  -1.810  -3.261
  151    HA   ALA  21           HA       ALA  21   7.828  -1.381  -5.744
  152   1HB   ALA  21          1HB       ALA  21   9.879  -0.198  -5.092
  153   2HB   ALA  21          2HB       ALA  21  10.053  -1.009  -6.648
  154   3HB   ALA  21          3HB       ALA  21  10.777  -1.711  -5.202
  155    H    LYS  22           H        LYS  22   9.921  -3.933  -4.518
  156    HA   LYS  22           HA       LYS  22  10.066  -5.475  -6.864
  157   1HB   LYS  22          1HB       LYS  22  10.219  -6.528  -4.040
  158   2HB   LYS  22          2HB       LYS  22  10.954  -7.217  -5.481
  159   1HG   LYS  22          1HG       LYS  22  12.488  -5.367  -5.639
  160   2HG   LYS  22          2HG       LYS  22  11.695  -4.555  -4.288
  161   1HD   LYS  22          1HD       LYS  22  13.633  -5.575  -3.395
  162   2HD   LYS  22          2HD       LYS  22  12.274  -6.581  -2.892
  163   1HE   LYS  22          1HE       LYS  22  14.001  -8.043  -3.610
  164   2HE   LYS  22          2HE       LYS  22  12.762  -8.053  -4.863
  165   1HZ   LYS  22          1HZ       LYS  22  15.279  -6.475  -4.933
  166   2HZ   LYS  22          2HZ       LYS  22  14.094  -6.493  -6.143
  167   3HZ   LYS  22          3HZ       LYS  22  14.984  -7.896  -5.806
  168    H    GLN  23           H        GLN  23   7.692  -5.347  -4.292
  169    HA   GLN  23           HA       GLN  23   6.514  -7.873  -5.072
  170   1HB   GLN  23          1HB       GLN  23   5.868  -5.901  -2.891
  171   2HB   GLN  23          2HB       GLN  23   4.913  -7.348  -3.184
  172   1HG   GLN  23          1HG       GLN  23   6.823  -8.748  -2.719
  173   2HG   GLN  23          2HG       GLN  23   7.857  -7.330  -2.557
  174   1HE2  GLN  23          1HE2      GLN  23   7.697  -6.051  -0.729
  175   2HE2  GLN  23          2HE2      GLN  23   6.925  -6.599   0.719
  176    H    THR  24           H        THR  24   5.886  -4.484  -5.683
  177    HA   THR  24           HA       THR  24   3.272  -5.269  -6.787
  178    HB   THR  24           HB       THR  24   2.715  -2.818  -6.680
  179    HG1  THR  24           HG1      THR  24   4.935  -2.656  -4.907
  180   1HG2  THR  24          1HG2      THR  24   3.377  -4.217  -4.085
  181   2HG2  THR  24          2HG2      THR  24   1.873  -4.360  -4.996
  182   3HG2  THR  24          3HG2      THR  24   2.307  -2.825  -4.244
  183    H    ASP  25           H        ASP  25   6.258  -4.910  -7.850
  184    HA   ASP  25           HA       ASP  25   7.259  -4.475  -9.846
  185   1HB   ASP  25          1HB       ASP  25   4.424  -4.659 -10.888
  186   2HB   ASP  25          2HB       ASP  25   5.872  -4.678 -11.886
  187    H    THR  26           H        THR  26   6.643  -2.204  -8.272
  188    HA   THR  26           HA       THR  26   5.737  -0.212 -10.222
  189    HB   THR  26           HB       THR  26   5.679   1.276  -8.117
  190    HG1  THR  26           HG1      THR  26   5.237  -0.946  -6.554
  191   1HG2  THR  26          1HG2      THR  26   3.794  -1.078  -8.299
  192   2HG2  THR  26          2HG2      THR  26   3.678   0.399  -9.258
  193   3HG2  THR  26          3HG2      THR  26   3.463   0.462  -7.508
  194    H    GLN  27           H        GLN  27   6.842   1.827 -10.352
  195    HA   GLN  27           HA       GLN  27   9.711   1.636  -9.754
  196   1HB   GLN  27          1HB       GLN  27   9.240   2.091 -12.090
  197   2HB   GLN  27          2HB       GLN  27   8.191   3.432 -11.656
  198   1HG   GLN  27          1HG       GLN  27  10.056   4.697 -10.832
  199   2HG   GLN  27          2HG       GLN  27  11.139   3.327 -11.063
  200   1HE2  GLN  27          1HE2      GLN  27   9.308   5.837 -12.640
  201   2HE2  GLN  27          2HE2      GLN  27  10.136   5.747 -14.161
  202    H    LEU  28           H        LEU  28  10.450   2.743  -8.050
  203    HA   LEU  28           HA       LEU  28   8.622   4.737  -6.904
  204   1HB   LEU  28          1HB       LEU  28  10.687   3.011  -5.551
  205   2HB   LEU  28          2HB       LEU  28   9.763   4.265  -4.748
  206    HG   LEU  28           HG       LEU  28   8.687   1.719  -5.957
  207   1HD1  LEU  28          1HD1      LEU  28   8.749   2.718  -3.120
  208   2HD1  LEU  28          2HD1      LEU  28   9.807   1.481  -3.798
  209   3HD1  LEU  28          3HD1      LEU  28   8.072   1.187  -3.676
  210   1HD2  LEU  28          1HD2      LEU  28   7.123   3.534  -6.361
  211   2HD2  LEU  28          2HD2      LEU  28   7.202   3.999  -4.662
  212   3HD2  LEU  28          3HD2      LEU  28   6.504   2.444  -5.119
  213    H    LEU  29           H        LEU  29   9.193   6.744  -6.975
  214    HA   LEU  29           HA       LEU  29  12.055   7.443  -7.065
  215   1HB   LEU  29          1HB       LEU  29  10.353   8.141  -8.939
  216   2HB   LEU  29          2HB       LEU  29   9.818   9.324  -7.766
  217    HG   LEU  29           HG       LEU  29  11.414  10.239  -9.417
  218   1HD1  LEU  29          1HD1      LEU  29  11.237  11.294  -7.234
  219   2HD1  LEU  29          2HD1      LEU  29  12.894  11.366  -7.837
  220   3HD1  LEU  29          3HD1      LEU  29  12.457  10.194  -6.594
  221   1HD2  LEU  29          1HD2      LEU  29  13.756   9.607  -9.332
  222   2HD2  LEU  29          2HD2      LEU  29  12.752   8.218  -9.747
  223   3HD2  LEU  29          3HD2      LEU  29  13.397   8.383  -8.114
  224    H    TYR  30           H        TYR  30  12.500   7.539  -4.908
  225    HA   TYR  30           HA       TYR  30  10.716   9.201  -3.269
  226   1HB   TYR  30          1HB       TYR  30  11.393   7.801  -1.318
  227   2HB   TYR  30          2HB       TYR  30  10.454   6.936  -2.524
  228    HD1  TYR  30           HD1      TYR  30  11.520   5.238  -3.944
  229    HD2  TYR  30           HD2      TYR  30  13.672   7.184  -0.825
  230    HE1  TYR  30           HE1      TYR  30  13.225   3.472  -4.029
  231    HE2  TYR  30           HE2      TYR  30  15.388   5.420  -0.908
  232    HH   TYR  30           HH       TYR  30  15.558   3.141  -3.452
  233    H    SER  31           H        SER  31  11.778  10.151  -1.377
  234    HA   SER  31           HA       SER  31  14.434  11.129  -2.163
  235   1HB   SER  31          1HB       SER  31  12.376  12.408  -0.343
  236   2HB   SER  31          2HB       SER  31  13.891  13.139  -0.877
  237    HG   SER  31           HG       SER  31  11.747  12.335  -2.567
  238    HA   PRO  32           HA       PRO  32  15.437   8.508   1.448
  239   1HB   PRO  32          1HB       PRO  32  18.177   8.795   0.424
  240   2HB   PRO  32          2HB       PRO  32  17.234   7.331   0.710
  241   1HG   PRO  32          1HG       PRO  32  17.793   8.192  -1.776
  242   2HG   PRO  32          2HG       PRO  32  16.268   7.378  -1.381
  243   1HD   PRO  32          1HD       PRO  32  16.815  10.299  -1.753
  244   2HD   PRO  32          2HD       PRO  32  15.430   9.332  -2.304
  245    H    GLU  33           H        GLU  33  17.192  11.361   0.321
  246    HA   GLU  33           HA       GLU  33  18.472  11.852   2.832
  247   1HB   GLU  33          1HB       GLU  33  18.011  13.892   0.655
  248   2HB   GLU  33          2HB       GLU  33  19.312  13.843   1.838
  249   1HG   GLU  33          1HG       GLU  33  18.924  11.908  -0.442
  250   2HG   GLU  33          2HG       GLU  33  20.082  13.233  -0.397
  251    H    ASP  34           H        ASP  34  15.470  12.698   1.338
  252    HA   ASP  34           HA       ASP  34  14.860  14.869   3.124
  253   1HB   ASP  34          1HB       ASP  34  14.046  14.877   0.808
  254   2HB   ASP  34          2HB       ASP  34  13.111  13.423   1.124
  255    H    ILE  35           H        ILE  35  14.436  11.429   3.214
  256    HA   ILE  35           HA       ILE  35  12.338  11.661   5.214
  257    HB   ILE  35           HB       ILE  35  12.401   9.201   5.348
  258   1HG1  ILE  35          1HG1      ILE  35  14.452   9.341   3.128
  259   2HG1  ILE  35          2HG1      ILE  35  14.821   8.933   4.804
  260   1HG2  ILE  35          1HG2      ILE  35  10.924  10.290   3.754
  261   2HG2  ILE  35          2HG2      ILE  35  11.506   8.751   3.120
  262   3HG2  ILE  35          3HG2      ILE  35  12.200  10.264   2.537
  263   1HD1  ILE  35          1HD1      ILE  35  14.666   6.948   3.428
  264   2HD1  ILE  35          2HD1      ILE  35  13.022   7.383   2.956
  265   3HD1  ILE  35          3HD1      ILE  35  13.379   6.973   4.634
  266    H    GLY  36           H        GLY  36  15.751  11.334   5.004
  267   1HA   GLY  36          1HA       GLY  36  17.369  11.651   6.583
  268   2HA   GLY  36          2HA       GLY  36  16.108  12.356   7.576
  269    H    GLY  37           H        GLY  37  16.095   9.012   6.496
  270   1HA   GLY  37          1HA       GLY  37  16.571   7.058   7.639
  271   2HA   GLY  37          2HA       GLY  37  17.237   8.022   8.949
  272    H    LEU  38           H        LEU  38  14.343   6.657   7.578
  273    HA   LEU  38           HA       LEU  38  12.980   7.065  10.163
  274   1HB   LEU  38          1HB       LEU  38  11.787   6.882   7.393
  275   2HB   LEU  38          2HB       LEU  38  10.847   6.881   8.872
  276    HG   LEU  38           HG       LEU  38  12.596   9.158   7.935
  277   1HD1  LEU  38          1HD1      LEU  38   9.598   8.851   7.928
  278   2HD1  LEU  38          2HD1      LEU  38  10.644   8.857   6.508
  279   3HD1  LEU  38          3HD1      LEU  38  10.489  10.310   7.495
  280   1HD2  LEU  38          1HD2      LEU  38  12.421   9.033  10.364
  281   2HD2  LEU  38          2HD2      LEU  38  10.664   8.947  10.241
  282   3HD2  LEU  38          3HD2      LEU  38  11.513  10.410   9.737
  283    H    ARG  39           H        ARG  39  11.578   5.322  10.851
  284    HA   ARG  39           HA       ARG  39  12.072   2.783   9.440
  285   1HB   ARG  39          1HB       ARG  39  11.433   1.650  11.590
  286   2HB   ARG  39          2HB       ARG  39  12.961   2.503  11.630
  287   1HG   ARG  39          1HG       ARG  39  12.037   4.274  12.903
  288   2HG   ARG  39          2HG       ARG  39  10.396   3.661  12.669
  289   1HD   ARG  39          1HD       ARG  39  12.009   3.148  14.824
  290   2HD   ARG  39          2HD       ARG  39  10.596   2.206  14.360
  291    HE   ARG  39           HE       ARG  39  13.225   1.486  13.275
  292   1HH1  ARG  39          1HH1      ARG  39  10.514   0.733  15.360
  293   2HH1  ARG  39          2HH1      ARG  39  10.946  -0.940  15.530
  294   1HH2  ARG  39          1HH2      ARG  39  13.812  -0.714  13.521
  295   2HH2  ARG  39          2HH2      ARG  39  12.811  -1.758  14.499
  296    H    SER  40           H        SER  40  10.371   1.534   8.910
  297    HA   SER  40           HA       SER  40   7.837   2.954   8.798
  298   1HB   SER  40          1HB       SER  40   7.321   0.985   7.200
  299   2HB   SER  40          2HB       SER  40   8.509   2.183   6.683
  300    HG   SER  40           HG       SER  40   8.858  -0.483   7.406
  301    H    SER  41           H        SER  41   5.839   1.892   9.247
  302    HA   SER  41           HA       SER  41   5.956  -0.107  11.344
  303   1HB   SER  41          1HB       SER  41   4.320   1.773  11.476
  304   2HB   SER  41          2HB       SER  41   3.555   1.179  10.005
  305    HG   SER  41           HG       SER  41   2.774   0.533  12.294
  306    H    ALA  42           H        ALA  42   5.710  -2.223  10.987
  307    HA   ALA  42           HA       ALA  42   6.052  -3.312   8.471
  308   1HB   ALA  42          1HB       ALA  42   4.851  -4.669  10.880
  309   2HB   ALA  42          2HB       ALA  42   6.575  -4.498  10.545
  310   3HB   ALA  42          3HB       ALA  42   5.562  -5.470   9.478
  311    H    LEU  43           H        LEU  43   4.733  -3.152   6.821
  312    HA   LEU  43           HA       LEU  43   1.838  -3.457   7.245
  313   1HB   LEU  43          1HB       LEU  43   2.841  -1.298   6.217
  314   2HB   LEU  43          2HB       LEU  43   3.133  -2.268   4.793
  315    HG   LEU  43           HG       LEU  43   1.059  -0.856   4.723
  316   1HD1  LEU  43          1HD1      LEU  43   1.311  -2.759   3.236
  317   2HD1  LEU  43          2HD1      LEU  43  -0.368  -2.589   3.755
  318   3HD1  LEU  43          3HD1      LEU  43   0.659  -3.831   4.475
  319   1HD2  LEU  43          1HD2      LEU  43   0.061  -2.851   6.747
  320   2HD2  LEU  43          2HD2      LEU  43  -0.892  -1.590   5.961
  321   3HD2  LEU  43          3HD2      LEU  43   0.412  -1.152   7.064
  322    H    LYS  44           H        LYS  44   1.893  -5.682   7.241
  323    HA   LYS  44           HA       LYS  44   2.668  -6.941   4.701
  324   1HB   LYS  44          1HB       LYS  44   3.191  -8.977   6.190
  325   2HB   LYS  44          2HB       LYS  44   4.340  -7.640   6.178
  326   1HG   LYS  44          1HG       LYS  44   3.175  -6.796   8.259
  327   2HG   LYS  44          2HG       LYS  44   2.335  -8.344   8.307
  328   1HD   LYS  44          1HD       LYS  44   5.307  -8.332   8.088
  329   2HD   LYS  44          2HD       LYS  44   4.574  -7.948   9.642
  330   1HE   LYS  44          1HE       LYS  44   5.089 -10.296   9.563
  331   2HE   LYS  44          2HE       LYS  44   3.340 -10.084   9.550
  332   1HZ   LYS  44          1HZ       LYS  44   4.216 -11.776   7.970
  333   2HZ   LYS  44          2HZ       LYS  44   4.949 -10.521   7.091
  334   3HZ   LYS  44          3HZ       LYS  44   3.260 -10.578   7.250
  335    H    GLY  45           H        GLY  45   0.920  -7.561   3.698
  336   1HA   GLY  45          1HA       GLY  45  -0.909  -9.418   4.598
  337   2HA   GLY  45          2HA       GLY  45  -1.606  -7.846   4.963
  338    H    ARG  46           H        ARG  46  -3.283  -8.537   3.456
  339    HA   ARG  46           HA       ARG  46  -2.475  -8.413   0.629
  340   1HB   ARG  46          1HB       ARG  46  -4.988  -9.432   1.966
  341   2HB   ARG  46          2HB       ARG  46  -4.789  -9.303   0.224
  342   1HG   ARG  46          1HG       ARG  46  -3.114 -10.940   0.180
  343   2HG   ARG  46          2HG       ARG  46  -2.882 -10.868   1.927
  344   1HD   ARG  46          1HD       ARG  46  -4.075 -12.873   1.404
  345   2HD   ARG  46          2HD       ARG  46  -5.182 -11.760   2.205
  346    HE   ARG  46           HE       ARG  46  -5.356 -11.473  -0.604
  347   1HH1  ARG  46          1HH1      ARG  46  -6.225 -13.657   1.989
  348   2HH1  ARG  46          2HH1      ARG  46  -7.598 -14.315   1.147
  349   1HH2  ARG  46          1HH2      ARG  46  -7.168 -12.319  -1.708
  350   2HH2  ARG  46          2HH2      ARG  46  -8.151 -13.530  -0.935
  351    H    HIS  47           H        HIS  47  -2.580  -6.428  -0.191
  352    HA   HIS  47           HA       HIS  47  -4.897  -4.742   0.408
  353   1HB   HIS  47          1HB       HIS  47  -2.039  -3.803   0.761
  354   2HB   HIS  47          2HB       HIS  47  -3.461  -2.779   0.863
  355    HD1  HIS  47           HD1      HIS  47  -4.960  -3.048   2.998
  356    HD2  HIS  47           HD2      HIS  47  -1.433  -5.260   3.030
  357    HE1  HIS  47           HE1      HIS  47  -4.634  -3.788   5.382
  358    HE2  HIS  47           HE2      HIS  47  -2.559  -5.219   5.357
  359    H    ASP  48           H        ASP  48  -5.208  -3.044  -1.125
  360    HA   ASP  48           HA       ASP  48  -4.140  -3.551  -3.751
  361   1HB   ASP  48          1HB       ASP  48  -5.907  -1.313  -2.722
  362   2HB   ASP  48          2HB       ASP  48  -5.494  -1.564  -4.414
  363    H    LEU  49           H        LEU  49  -3.139  -1.684  -5.029
  364    HA   LEU  49           HA       LEU  49  -0.735  -1.010  -3.740
  365   1HB   LEU  49          1HB       LEU  49  -0.919  -1.289  -6.163
  366   2HB   LEU  49          2HB       LEU  49  -1.926   0.145  -6.261
  367    HG   LEU  49           HG       LEU  49  -0.028   1.518  -5.471
  368   1HD1  LEU  49          1HD1      LEU  49   1.143  -0.201  -4.188
  369   2HD1  LEU  49          2HD1      LEU  49   2.208   0.560  -5.368
  370   3HD1  LEU  49          3HD1      LEU  49   1.548  -1.045  -5.683
  371   1HD2  LEU  49          1HD2      LEU  49   0.579  -0.190  -7.881
  372   2HD2  LEU  49          2HD2      LEU  49   1.302   1.377  -7.518
  373   3HD2  LEU  49          3HD2      LEU  49  -0.423   1.262  -7.861
  374    H    GLN  50           H        GLN  50  -3.394   1.143  -4.777
  375    HA   GLN  50           HA       GLN  50  -2.362   3.489  -3.675
  376   1HB   GLN  50          1HB       GLN  50  -5.229   2.670  -4.158
  377   2HB   GLN  50          2HB       GLN  50  -4.750   4.287  -3.666
  378   1HG   GLN  50          1HG       GLN  50  -4.086   2.879  -6.233
  379   2HG   GLN  50          2HG       GLN  50  -5.092   4.309  -6.010
  380   1HE2  GLN  50          1HE2      GLN  50  -1.904   3.078  -6.302
  381   2HE2  GLN  50          2HE2      GLN  50  -1.085   4.601  -6.329
  382    H    SER  51           H        SER  51  -4.414   1.018  -2.252
  383    HA   SER  51           HA       SER  51  -5.032   2.321   0.145
  384   1HB   SER  51          1HB       SER  51  -4.666  -0.657  -0.167
  385   2HB   SER  51          2HB       SER  51  -5.780   0.197   0.904
  386    HG   SER  51           HG       SER  51  -7.173   0.122  -0.658
  387    H    SER  52           H        SER  52  -2.387   0.111  -0.683
  388    HA   SER  52           HA       SER  52  -1.189  -0.014   1.851
  389   1HB   SER  52          1HB       SER  52   0.155  -0.236  -0.854
  390   2HB   SER  52          2HB       SER  52   0.770  -0.865   0.675
  391    HG   SER  52           HG       SER  52  -1.433  -1.747  -0.858
  392    H    LEU  53           H        LEU  53  -0.716   2.221  -0.857
  393    HA   LEU  53           HA       LEU  53   1.465   3.642   0.234
  394   1HB   LEU  53          1HB       LEU  53  -0.657   4.546  -1.713
  395   2HB   LEU  53          2HB       LEU  53   0.824   5.420  -1.374
  396    HG   LEU  53           HG       LEU  53   0.682   2.658  -2.586
  397   1HD1  LEU  53          1HD1      LEU  53  -0.156   4.324  -4.130
  398   2HD1  LEU  53          2HD1      LEU  53   1.445   3.785  -4.639
  399   3HD1  LEU  53          3HD1      LEU  53   1.251   5.343  -3.833
  400   1HD2  LEU  53          1HD2      LEU  53   2.711   3.006  -1.283
  401   2HD2  LEU  53          2HD2      LEU  53   3.016   4.517  -2.142
  402   3HD2  LEU  53          3HD2      LEU  53   3.072   2.982  -3.009
  403    H    ARG  54           H        ARG  54  -2.020   4.071   0.478
  404    HA   ARG  54           HA       ARG  54  -1.956   6.564   1.795
  405   1HB   ARG  54          1HB       ARG  54  -3.978   5.814   0.722
  406   2HB   ARG  54          2HB       ARG  54  -4.053   4.392   1.756
  407   1HG   ARG  54          1HG       ARG  54  -4.590   5.699   3.662
  408   2HG   ARG  54          2HG       ARG  54  -4.227   7.203   2.813
  409   1HD   ARG  54          1HD       ARG  54  -6.409   5.296   1.993
  410   2HD   ARG  54          2HD       ARG  54  -6.667   6.682   3.052
  411    HE   ARG  54           HE       ARG  54  -5.659   7.976   1.053
  412   1HH1  ARG  54          1HH1      ARG  54  -7.723   5.141   0.801
  413   2HH1  ARG  54          2HH1      ARG  54  -8.431   5.648  -0.704
  414   1HH2  ARG  54          1HH2      ARG  54  -6.599   8.616  -0.935
  415   2HH2  ARG  54          2HH2      ARG  54  -7.787   7.598  -1.693
  416    H    ILE  55           H        ILE  55  -1.947   3.236   3.014
  417    HA   ILE  55           HA       ILE  55  -2.238   3.884   5.737
  418    HB   ILE  55           HB       ILE  55  -0.815   1.504   4.537
  419   1HG1  ILE  55          1HG1      ILE  55  -3.675   1.814   5.473
  420   2HG1  ILE  55          2HG1      ILE  55  -3.163   1.752   3.792
  421   1HG2  ILE  55          1HG2      ILE  55  -0.235   1.823   6.878
  422   2HG2  ILE  55          2HG2      ILE  55  -1.280   0.415   6.688
  423   3HG2  ILE  55          3HG2      ILE  55  -1.943   1.930   7.303
  424   1HD1  ILE  55          1HD1      ILE  55  -2.369  -0.527   4.105
  425   2HD1  ILE  55          2HD1      ILE  55  -4.071  -0.380   4.546
  426   3HD1  ILE  55          3HD1      ILE  55  -2.837  -0.463   5.804
  427    H    LEU  56           H        LEU  56   0.711   3.196   3.848
  428    HA   LEU  56           HA       LEU  56   2.522   3.563   5.939
  429   1HB   LEU  56          1HB       LEU  56   2.695   3.537   2.987
  430   2HB   LEU  56          2HB       LEU  56   4.037   4.270   3.840
  431    HG   LEU  56           HG       LEU  56   4.566   1.978   3.356
  432   1HD1  LEU  56          1HD1      LEU  56   5.365   2.852   5.484
  433   2HD1  LEU  56          2HD1      LEU  56   5.028   1.124   5.588
  434   3HD1  LEU  56          3HD1      LEU  56   3.895   2.284   6.277
  435   1HD2  LEU  56          1HD2      LEU  56   3.251   0.115   4.222
  436   2HD2  LEU  56          2HD2      LEU  56   2.313   1.101   3.102
  437   3HD2  LEU  56          3HD2      LEU  56   2.048   1.247   4.839
  438    H    LEU  57           H        LEU  57   1.105   5.956   3.747
  439    HA   LEU  57           HA       LEU  57   2.834   8.000   4.958
  440   1HB   LEU  57          1HB       LEU  57   1.320   7.925   2.364
  441   2HB   LEU  57          2HB       LEU  57   1.934   9.426   3.024
  442    HG   LEU  57           HG       LEU  57   4.237   8.373   3.001
  443   1HD1  LEU  57          1HD1      LEU  57   2.833   6.321   1.297
  444   2HD1  LEU  57          2HD1      LEU  57   3.589   6.038   2.865
  445   3HD1  LEU  57          3HD1      LEU  57   4.579   6.489   1.476
  446   1HD2  LEU  57          1HD2      LEU  57   2.773   8.762   0.399
  447   2HD2  LEU  57          2HD2      LEU  57   4.527   8.734   0.580
  448   3HD2  LEU  57          3HD2      LEU  57   3.580  10.006   1.355
  449    H    GLN  58           H        GLN  58   0.078   6.794   5.835
  450    HA   GLN  58           HA       GLN  58  -1.876   8.768   5.670
  451   1HB   GLN  58          1HB       GLN  58  -3.018   7.660   7.466
  452   2HB   GLN  58          2HB       GLN  58  -2.292   6.454   6.417
  453   1HG   GLN  58          1HG       GLN  58  -0.469   6.162   8.020
  454   2HG   GLN  58          2HG       GLN  58  -1.214   7.359   9.078
  455   1HE2  GLN  58          1HE2      GLN  58  -2.990   5.033   7.190
  456   2HE2  GLN  58          2HE2      GLN  58  -3.581   4.100   8.522
  457    H    GLY  59           H        GLY  59   0.672   8.409   8.133
  458   1HA   GLY  59          1HA       GLY  59  -0.206  11.021   9.202
  459   2HA   GLY  59          2HA       GLY  59   0.236   9.690  10.259
  460    H    THR  60           H        THR  60   2.119   9.967   7.418
  461    HA   THR  60           HA       THR  60   4.365  10.844   9.061
  462    HB   THR  60           HB       THR  60   5.692  10.158   6.971
  463    HG1  THR  60           HG1      THR  60   4.272   8.443   5.857
  464   1HG2  THR  60          1HG2      THR  60   5.637   8.801   8.991
  465   2HG2  THR  60          2HG2      THR  60   5.561   7.769   7.564
  466   3HG2  THR  60          3HG2      THR  60   4.099   8.092   8.496
  467    H    GLY  61           H        GLY  61   2.122  12.383   7.311
  468   1HA   GLY  61          1HA       GLY  61   1.998  14.425   6.287
  469   2HA   GLY  61          2HA       GLY  61   3.552  14.771   7.027
  470    H    LEU  62           H        LEU  62   3.303  12.078   4.855
  471    HA   LEU  62           HA       LEU  62   4.975  13.549   2.952
  472   1HB   LEU  62          1HB       LEU  62   4.484  10.576   3.179
  473   2HB   LEU  62          2HB       LEU  62   5.629  11.353   2.107
  474    HG   LEU  62           HG       LEU  62   5.785  11.327   5.122
  475   1HD1  LEU  62          1HD1      LEU  62   7.697   9.858   4.796
  476   2HD1  LEU  62          2HD1      LEU  62   7.444   9.895   3.051
  477   3HD1  LEU  62          3HD1      LEU  62   6.239   9.148   4.100
  478   1HD2  LEU  62          1HD2      LEU  62   6.712  13.375   4.117
  479   2HD2  LEU  62          2HD2      LEU  62   7.748  12.383   3.089
  480   3HD2  LEU  62          3HD2      LEU  62   7.960  12.358   4.840
  481    H    ARG  63           H        ARG  63   4.584  13.188   0.643
  482    HA   ARG  63           HA       ARG  63   1.765  12.556   0.073
  483   1HB   ARG  63          1HB       ARG  63   3.506  14.697  -1.147
  484   2HB   ARG  63          2HB       ARG  63   2.000  14.160  -1.872
  485   1HG   ARG  63          1HG       ARG  63   2.222  15.315   0.898
  486   2HG   ARG  63          2HG       ARG  63   1.817  16.249  -0.542
  487   1HD   ARG  63          1HD       ARG  63  -0.242  15.735   0.491
  488   2HD   ARG  63          2HD       ARG  63  -0.107  14.642  -0.885
  489    HE   ARG  63           HE       ARG  63   0.927  13.333   1.361
  490   1HH1  ARG  63          1HH1      ARG  63  -2.169  14.553   0.228
  491   2HH1  ARG  63          2HH1      ARG  63  -3.093  13.361   1.100
  492   1HH2  ARG  63          1HH2      ARG  63  -0.286  11.774   2.489
  493   2HH2  ARG  63          2HH2      ARG  63  -2.021  11.764   2.373
  494    H    TYR  64           H        TYR  64   1.452  10.984  -1.306
  495    HA   TYR  64           HA       TYR  64   3.735  10.023  -2.876
  496   1HB   TYR  64          1HB       TYR  64   2.430   7.924  -3.166
  497   2HB   TYR  64          2HB       TYR  64   2.775   8.288  -1.484
  498    HD1  TYR  64           HD1      TYR  64   0.942   9.108   0.000
  499    HD2  TYR  64           HD2      TYR  64   0.191   7.773  -3.971
  500    HE1  TYR  64           HE1      TYR  64  -1.447   8.879   0.533
  501    HE2  TYR  64           HE2      TYR  64  -2.195   7.543  -3.447
  502    HH   TYR  64           HH       TYR  64  -3.674   7.344  -1.671
  503    H    GLN  65           H        GLN  65   3.833  10.668  -4.879
  504    HA   GLN  65           HA       GLN  65   1.329  11.302  -6.284
  505   1HB   GLN  65          1HB       GLN  65   3.054  13.099  -6.119
  506   2HB   GLN  65          2HB       GLN  65   4.159  12.073  -7.020
  507   1HG   GLN  65          1HG       GLN  65   2.570  12.097  -8.915
  508   2HG   GLN  65          2HG       GLN  65   1.562  13.226  -8.008
  509   1HE2  GLN  65          1HE2      GLN  65   2.916  13.563 -10.572
  510   2HE2  GLN  65          2HE2      GLN  65   3.976  14.923 -10.377
  511    H    ILE  66           H        ILE  66   0.607   9.761  -7.593
  512    HA   ILE  66           HA       ILE  66   2.542   7.823  -8.630
  513    HB   ILE  66           HB       ILE  66   0.741   6.772  -7.431
  514   1HG1  ILE  66          1HG1      ILE  66   0.354   6.393 -10.407
  515   2HG1  ILE  66          2HG1      ILE  66   1.619   5.643  -9.440
  516   1HG2  ILE  66          1HG2      ILE  66  -1.599   6.945  -8.103
  517   2HG2  ILE  66          2HG2      ILE  66  -1.162   8.139  -9.326
  518   3HG2  ILE  66          3HG2      ILE  66  -0.950   8.512  -7.615
  519   1HD1  ILE  66          1HD1      ILE  66  -0.052   4.422  -8.172
  520   2HD1  ILE  66          2HD1      ILE  66  -0.217   4.107  -9.899
  521   3HD1  ILE  66          3HD1      ILE  66  -1.338   5.203  -9.091
  522    H    ASP  67           H        ASP  67   3.258   8.096 -10.557
  523    HA   ASP  67           HA       ASP  67   1.618   9.502 -12.563
  524   1HB   ASP  67          1HB       ASP  67   3.579  10.813 -11.682
  525   2HB   ASP  67          2HB       ASP  67   4.638   9.558 -12.321
  526    H    GLY  68           H        GLY  68   0.873   7.858 -13.776
  527   1HA   GLY  68          1HA       GLY  68   0.850   5.999 -15.132
  528   2HA   GLY  68          2HA       GLY  68   2.552   6.314 -15.432
  529    H    ASN  69           H        ASN  69   4.043   4.997 -14.566
  530    HA   ASN  69           HA       ASN  69   3.118   2.941 -12.661
  531   1HB   ASN  69          1HB       ASN  69   5.324   2.853 -14.734
  532   2HB   ASN  69          2HB       ASN  69   5.066   1.600 -13.525
  533   1HD2  ASN  69          1HD2      ASN  69   4.944   1.563 -16.474
  534   2HD2  ASN  69          2HD2      ASN  69   3.383   0.918 -16.856
  535    H    THR  70           H        THR  70   4.482   5.769 -12.549
  536    HA   THR  70           HA       THR  70   6.770   5.041 -10.848
  537    HB   THR  70           HB       THR  70   6.109   7.779 -11.948
  538    HG1  THR  70           HG1      THR  70   7.029   7.230 -13.776
  539   1HG2  THR  70          1HG2      THR  70   7.643   7.766 -10.046
  540   2HG2  THR  70          2HG2      THR  70   8.490   8.220 -11.525
  541   3HG2  THR  70          3HG2      THR  70   8.672   6.593 -10.869
  542    H    VAL  71           H        VAL  71   6.784   5.572  -8.723
  543    HA   VAL  71           HA       VAL  71   4.536   7.194  -7.712
  544    HB   VAL  71           HB       VAL  71   5.960   4.973  -6.229
  545   1HG1  VAL  71          1HG1      VAL  71   4.186   5.262  -4.557
  546   2HG1  VAL  71          2HG1      VAL  71   3.546   6.622  -5.482
  547   3HG1  VAL  71          3HG1      VAL  71   5.149   6.726  -4.753
  548   1HG2  VAL  71          1HG2      VAL  71   3.216   5.010  -7.487
  549   2HG2  VAL  71          2HG2      VAL  71   3.842   3.733  -6.443
  550   3HG2  VAL  71          3HG2      VAL  71   4.597   4.044  -8.008
  551    H    THR  72           H        THR  72   5.141   9.041  -6.797
  552    HA   THR  72           HA       THR  72   7.996   9.407  -6.194
  553    HB   THR  72           HB       THR  72   5.904  11.560  -6.552
  554    HG1  THR  72           HG1      THR  72   6.416  10.052  -8.428
  555   1HG2  THR  72          1HG2      THR  72   8.920  11.627  -6.705
  556   2HG2  THR  72          2HG2      THR  72   7.940  12.251  -5.377
  557   3HG2  THR  72          3HG2      THR  72   7.842  12.996  -6.974
  558    H    VAL  73           H        VAL  73   8.511   9.270  -4.120
  559    HA   VAL  73           HA       VAL  73   6.490   9.930  -2.085
  560    HB   VAL  73           HB       VAL  73   9.066   8.381  -1.741
  561   1HG1  VAL  73          1HG1      VAL  73   8.166   7.760   0.434
  562   2HG1  VAL  73          2HG1      VAL  73   6.725   8.731   0.128
  563   3HG1  VAL  73          3HG1      VAL  73   8.297   9.514   0.294
  564   1HG2  VAL  73          1HG2      VAL  73   7.642   6.392  -1.586
  565   2HG2  VAL  73          2HG2      VAL  73   7.502   7.168  -3.164
  566   3HG2  VAL  73          3HG2      VAL  73   6.230   7.379  -1.962
  567    H    THR  74           H        THR  74   6.650  12.018  -1.614
  568    HA   THR  74           HA       THR  74   9.251  13.033  -0.711
  569    HB   THR  74           HB       THR  74   8.845  13.775  -3.074
  570    HG1  THR  74           HG1      THR  74   8.930  15.765  -1.026
  571   1HG2  THR  74          1HG2      THR  74   6.540  15.293  -1.847
  572   2HG2  THR  74          2HG2      THR  74   6.420  13.978  -3.018
  573   3HG2  THR  74          3HG2      THR  74   7.155  15.511  -3.488
  574    H    ALA  75           H        ALA  75   9.107  14.665   0.899
  575    HA   ALA  75           HA       ALA  75   6.821  14.592   2.563
  576   1HB   ALA  75          1HB       ALA  75   7.951  16.320   3.866
  577   2HB   ALA  75          2HB       ALA  75   9.104  16.568   2.553
  578   3HB   ALA  75          3HB       ALA  75   9.071  15.032   3.422
  579    H    SER  76           H        SER  76   5.369  16.302   3.074
  580    HA   SER  76           HA       SER  76   4.372  17.671   0.787
  581   1HB   SER  76          1HB       SER  76   3.595  18.038   3.689
  582   2HB   SER  76          2HB       SER  76   2.634  18.472   2.276
  583    HG   SER  76           HG       SER  76   3.178  15.954   3.370
  584    H    ALA  77           H        ALA  77   5.690  19.232   0.002
  585    HA   ALA  77           HA       ALA  77   7.094  21.102   1.641
  586   1HB   ALA  77          1HB       ALA  77   6.424  21.250  -1.301
  587   2HB   ALA  77          2HB       ALA  77   7.867  20.506  -0.612
  588   3HB   ALA  77          3HB       ALA  77   7.612  22.245  -0.456
  589    H    ALA  78           H        ALA  78   4.156  21.222  -0.309
  590    HA   ALA  78           HA       ALA  78   3.345  23.615   1.198
  591   1HB   ALA  78          1HB       ALA  78   2.470  22.762  -1.563
  592   2HB   ALA  78          2HB       ALA  78   3.588  24.076  -1.193
  593   3HB   ALA  78          3HB       ALA  78   1.898  24.186  -0.695
  594    H    ALA  79           H        ALA  79   1.712  23.314   2.558
  595    HA   ALA  79           HA       ALA  79   0.433  20.729   2.688
  596   1HB   ALA  79          1HB       ALA  79  -0.539  21.549   4.771
  597   2HB   ALA  79          2HB       ALA  79   0.068  23.167   4.424
  598   3HB   ALA  79          3HB       ALA  79   1.198  21.846   4.720
  599    H    LYS  80           H        LYS  80  -0.255  22.181   0.357
  600    HA   LYS  80           HA       LYS  80  -2.896  23.280   0.688
  601   1HB   LYS  80          1HB       LYS  80  -1.464  24.130  -1.087
  602   2HB   LYS  80          2HB       LYS  80  -1.303  22.520  -1.772
  603   1HG   LYS  80          1HG       LYS  80  -3.681  22.514  -2.322
  604   2HG   LYS  80          2HG       LYS  80  -3.845  24.129  -1.630
  605   1HD   LYS  80          1HD       LYS  80  -2.314  25.025  -3.287
  606   2HD   LYS  80          2HD       LYS  80  -2.048  23.409  -3.945
  607   1HE   LYS  80          1HE       LYS  80  -3.615  24.669  -5.322
  608   2HE   LYS  80          2HE       LYS  80  -4.401  23.273  -4.586
  609   1HZ   LYS  80          1HZ       LYS  80  -5.796  25.235  -4.461
  610   2HZ   LYS  80          2HZ       LYS  80  -4.587  26.080  -3.624
  611   3HZ   LYS  80          3HZ       LYS  80  -5.340  24.742  -2.903
  612    H    ASP  81           H        ASP  81  -1.645  20.530  -1.182
  613    HA   ASP  81           HA       ASP  81  -2.446  18.476  -1.659
  614   1HB   ASP  81          1HB       ASP  81  -2.361  18.185   0.786
  615   2HB   ASP  81          2HB       ASP  81  -4.019  18.775   0.905
  616    H    GLY  82           H        GLY  82  -3.543  18.795  -3.505
  617   1HA   GLY  82          1HA       GLY  82  -6.446  19.281  -3.260
  618   2HA   GLY  82          2HA       GLY  82  -5.492  19.687  -4.682
  Start of MODEL    8
    1   1H    SER   1          1H        SER   1 -10.127  -8.606  -5.941
    2   2H    SER   1          2H        SER   1  -8.859  -8.989  -4.882
    3   3H    SER   1          3H        SER   1 -10.309  -9.861  -4.817
    4    HA   SER   1           HA       SER   1  -8.645 -11.165  -5.906
    5   1HB   SER   1          1HB       SER   1 -11.097 -11.136  -6.645
    6   2HB   SER   1          2HB       SER   1 -10.570 -10.148  -8.004
    7    HG   SER   1           HG       SER   1  -8.985 -12.323  -7.757
    8    H    GLN   2           H        GLN   2  -8.244  -7.956  -6.336
    9    HA   GLN   2           HA       GLN   2  -6.226  -8.382  -8.438
   10   1HB   GLN   2          1HB       GLN   2  -8.029  -5.978  -8.071
   11   2HB   GLN   2          2HB       GLN   2  -6.660  -6.033  -9.174
   12   1HG   GLN   2          1HG       GLN   2  -7.704  -7.741 -10.485
   13   2HG   GLN   2          2HG       GLN   2  -9.012  -7.902  -9.314
   14   1HE2  GLN   2          1HE2      GLN   2 -10.573  -7.459 -10.842
   15   2HE2  GLN   2          2HE2      GLN   2 -10.825  -5.872 -11.493
   16    H    GLU   3           H        GLU   3  -5.861  -8.671  -5.714
   17    HA   GLU   3           HA       GLU   3  -4.462  -6.217  -4.900
   18   1HB   GLU   3          1HB       GLU   3  -5.555  -8.427  -3.140
   19   2HB   GLU   3          2HB       GLU   3  -4.693  -7.005  -2.575
   20   1HG   GLU   3          1HG       GLU   3  -6.907  -6.477  -2.175
   21   2HG   GLU   3          2HG       GLU   3  -6.576  -5.669  -3.707
   22    H    TRP   4           H        TRP   4  -2.640  -6.795  -3.298
   23    HA   TRP   4           HA       TRP   4  -1.096  -9.009  -4.473
   24   1HB   TRP   4          1HB       TRP   4  -0.241  -6.232  -3.704
   25   2HB   TRP   4          2HB       TRP   4   0.921  -7.548  -3.791
   26    HD1  TRP   4           HD1      TRP   4   1.238  -8.687  -6.283
   27    HE1  TRP   4           HE1      TRP   4   1.120  -7.571  -8.604
   28    HE3  TRP   4           HE3      TRP   4  -1.385  -4.495  -5.017
   29    HZ2  TRP   4           HZ2      TRP   4   0.054  -5.214  -9.729
   30    HZ3  TRP   4           HZ3      TRP   4  -1.914  -2.857  -6.772
   31    HH2  TRP   4           HH2      TRP   4  -1.207  -3.210  -9.078
   32    H    THR   5           H        THR   5   0.189 -10.206  -3.098
   33    HA   THR   5           HA       THR   5  -0.375  -9.957  -0.252
   34    HB   THR   5           HB       THR   5   1.325 -12.034  -1.657
   35    HG1  THR   5           HG1      THR   5  -1.132 -11.761  -2.141
   36   1HG2  THR   5          1HG2      THR   5  -0.049 -12.059   1.035
   37   2HG2  THR   5          2HG2      THR   5   1.682 -11.845   0.767
   38   3HG2  THR   5          3HG2      THR   5   0.906 -13.372   0.345
   39    H    LEU   6           H        LEU   6   0.793  -8.320   0.579
   40    HA   LEU   6           HA       LEU   6   3.564  -7.998  -0.352
   41   1HB   LEU   6          1HB       LEU   6   1.690  -5.918   0.772
   42   2HB   LEU   6          2HB       LEU   6   3.323  -5.628   0.203
   43    HG   LEU   6           HG       LEU   6   1.039  -6.574  -1.531
   44   1HD1  LEU   6          1HD1      LEU   6   1.051  -4.326  -2.451
   45   2HD1  LEU   6          2HD1      LEU   6   2.311  -3.853  -1.314
   46   3HD1  LEU   6          3HD1      LEU   6   0.709  -4.287  -0.721
   47   1HD2  LEU   6          1HD2      LEU   6   3.180  -7.322  -2.372
   48   2HD2  LEU   6          2HD2      LEU   6   3.844  -5.698  -2.199
   49   3HD2  LEU   6          3HD2      LEU   6   2.570  -6.008  -3.378
   50    H    ASP   7           H        ASP   7   5.026  -8.612   1.100
   51    HA   ASP   7           HA       ASP   7   4.508  -8.189   3.948
   52   1HB   ASP   7          1HB       ASP   7   5.523 -10.311   3.499
   53   2HB   ASP   7          2HB       ASP   7   6.747  -9.578   2.467
   54    H    ILE   8           H        ILE   8   4.986  -6.251   4.747
   55    HA   ILE   8           HA       ILE   8   7.125  -4.704   3.463
   56    HB   ILE   8           HB       ILE   8   4.828  -3.814   5.210
   57   1HG1  ILE   8          1HG1      ILE   8   4.205  -4.281   2.903
   58   2HG1  ILE   8          2HG1      ILE   8   4.169  -2.544   3.188
   59   1HG2  ILE   8          1HG2      ILE   8   7.053  -2.133   4.060
   60   2HG2  ILE   8          2HG2      ILE   8   6.816  -2.513   5.765
   61   3HG2  ILE   8          3HG2      ILE   8   5.632  -1.527   4.908
   62   1HD1  ILE   8          1HD1      ILE   8   6.341  -2.325   2.091
   63   2HD1  ILE   8          2HD1      ILE   8   5.142  -3.065   1.027
   64   3HD1  ILE   8          3HD1      ILE   8   6.369  -4.066   1.806
   65    HA   PRO   9           HA       PRO   9   9.696  -5.735   6.964
   66   1HB   PRO   9          1HB       PRO   9  11.283  -3.484   5.862
   67   2HB   PRO   9          2HB       PRO   9  11.779  -5.140   6.225
   68   1HG   PRO   9          1HG       PRO   9  11.439  -4.340   3.708
   69   2HG   PRO   9          2HG       PRO   9  10.944  -5.965   4.223
   70   1HD   PRO   9          1HD       PRO   9   9.266  -3.534   3.747
   71   2HD   PRO   9          2HD       PRO   9   8.936  -5.230   3.335
   72    H    ALA  10           H        ALA  10  10.016  -4.918   8.956
   73    HA   ALA  10           HA       ALA  10   8.976  -2.228   9.526
   74   1HB   ALA  10          1HB       ALA  10   8.008  -4.093  10.799
   75   2HB   ALA  10          2HB       ALA  10   8.860  -2.961  11.851
   76   3HB   ALA  10          3HB       ALA  10   9.611  -4.496  11.416
   77    H    GLN  11           H        GLN  11  11.538  -2.770   8.303
   78    HA   GLN  11           HA       GLN  11  13.470  -1.983  10.347
   79   1HB   GLN  11          1HB       GLN  11  13.912  -2.516   7.397
   80   2HB   GLN  11          2HB       GLN  11  15.151  -2.352   8.633
   81   1HG   GLN  11          1HG       GLN  11  14.378  -4.396   9.703
   82   2HG   GLN  11          2HG       GLN  11  13.108  -4.558   8.489
   83   1HE2  GLN  11          1HE2      GLN  11  13.680  -5.091   6.364
   84   2HE2  GLN  11          2HE2      GLN  11  15.207  -5.797   5.983
   85    H    SER  12           H        SER  12  15.146  -0.502   8.570
   86    HA   SER  12           HA       SER  12  14.239   2.101   8.756
   87   1HB   SER  12          1HB       SER  12  16.100   1.009   6.634
   88   2HB   SER  12          2HB       SER  12  16.047   2.663   7.245
   89    HG   SER  12           HG       SER  12  17.713   1.589   8.282
   90    H    MET  13           H        MET  13  13.150   3.458   7.464
   91    HA   MET  13           HA       MET  13  11.018   2.597   5.960
   92   1HB   MET  13          1HB       MET  13  11.286   4.856   6.935
   93   2HB   MET  13          2HB       MET  13  12.460   5.237   5.684
   94   1HG   MET  13          1HG       MET  13  10.344   6.204   5.106
   95   2HG   MET  13          2HG       MET  13  10.708   4.897   3.982
   96   1HE   MET  13          1HE       MET  13   9.442   4.633   7.682
   97   2HE   MET  13          2HE       MET  13   7.697   4.535   7.455
   98   3HE   MET  13          3HE       MET  13   8.556   6.027   7.065
   99    H    ASN  14           H        ASN  14  14.266   3.377   4.864
  100    HA   ASN  14           HA       ASN  14  13.906   3.379   2.111
  101   1HB   ASN  14          1HB       ASN  14  16.040   3.910   3.249
  102   2HB   ASN  14          2HB       ASN  14  16.242   2.205   3.638
  103   1HD2  ASN  14          1HD2      ASN  14  16.801   0.756   2.006
  104   2HD2  ASN  14          2HD2      ASN  14  17.387   1.286   0.470
  105    H    SER  15           H        SER  15  14.098   0.647   4.345
  106    HA   SER  15           HA       SER  15  14.422  -1.342   2.326
  107   1HB   SER  15          1HB       SER  15  15.130  -1.663   4.699
  108   2HB   SER  15          2HB       SER  15  13.432  -1.645   5.180
  109    HG   SER  15           HG       SER  15  14.840  -3.575   3.671
  110    H    ALA  16           H        ALA  16  11.711  -0.069   4.200
  111    HA   ALA  16           HA       ALA  16   9.741  -1.852   3.274
  112   1HB   ALA  16          1HB       ALA  16   8.134  -0.195   4.085
  113   2HB   ALA  16          2HB       ALA  16   9.434   0.987   4.245
  114   3HB   ALA  16          3HB       ALA  16   9.429  -0.463   5.252
  115    H    LEU  17           H        LEU  17  10.703   1.370   2.152
  116    HA   LEU  17           HA       LEU  17   8.758   1.568   0.123
  117   1HB   LEU  17          1HB       LEU  17  11.442   2.926   0.356
  118   2HB   LEU  17          2HB       LEU  17  10.183   3.377  -0.778
  119    HG   LEU  17           HG       LEU  17   9.961   3.516   2.231
  120   1HD1  LEU  17          1HD1      LEU  17  10.250   5.693   0.168
  121   2HD1  LEU  17          2HD1      LEU  17  11.474   5.197   1.338
  122   3HD1  LEU  17          3HD1      LEU  17   9.973   5.937   1.893
  123   1HD2  LEU  17          1HD2      LEU  17   7.855   4.694   1.799
  124   2HD2  LEU  17          2HD2      LEU  17   7.811   3.041   1.187
  125   3HD2  LEU  17          3HD2      LEU  17   8.043   4.387   0.073
  126    H    GLN  18           H        GLN  18  12.211   0.683  -0.061
  127    HA   GLN  18           HA       GLN  18  12.225   0.137  -2.804
  128   1HB   GLN  18          1HB       GLN  18  14.238   0.416  -1.368
  129   2HB   GLN  18          2HB       GLN  18  13.929  -1.175  -0.686
  130   1HG   GLN  18          1HG       GLN  18  14.307  -2.224  -2.798
  131   2HG   GLN  18          2HG       GLN  18  14.401  -0.662  -3.609
  132   1HE2  GLN  18          1HE2      GLN  18  16.445  -1.044  -4.399
  133   2HE2  GLN  18          2HE2      GLN  18  17.856  -1.040  -3.393
  134    H    ALA  19           H        ALA  19  11.456  -1.924  -0.053
  135    HA   ALA  19           HA       ALA  19  11.157  -4.332  -1.515
  136   1HB   ALA  19          1HB       ALA  19   9.809  -3.530   1.063
  137   2HB   ALA  19          2HB       ALA  19  11.396  -4.288   0.925
  138   3HB   ALA  19          3HB       ALA  19   9.954  -5.170   0.425
  139    H    LEU  20           H        LEU  20   9.002  -1.623  -0.882
  140    HA   LEU  20           HA       LEU  20   6.591  -2.902  -1.685
  141   1HB   LEU  20          1HB       LEU  20   6.878  -0.772  -0.297
  142   2HB   LEU  20          2HB       LEU  20   7.210   0.050  -1.804
  143    HG   LEU  20           HG       LEU  20   4.870   0.299  -0.907
  144   1HD1  LEU  20          1HD1      LEU  20   5.133  -0.909  -3.653
  145   2HD1  LEU  20          2HD1      LEU  20   5.384   0.785  -3.234
  146   3HD1  LEU  20          3HD1      LEU  20   3.782   0.065  -3.075
  147   1HD2  LEU  20          1HD2      LEU  20   4.536  -1.968  -0.108
  148   2HD2  LEU  20          2HD2      LEU  20   4.658  -2.585  -1.755
  149   3HD2  LEU  20          3HD2      LEU  20   3.308  -1.545  -1.300
  150    H    ALA  21           H        ALA  21   9.103  -1.057  -3.287
  151    HA   ALA  21           HA       ALA  21   7.774  -0.624  -5.754
  152   1HB   ALA  21          1HB       ALA  21   9.745   0.664  -5.050
  153   2HB   ALA  21          2HB       ALA  21   9.978  -0.076  -6.634
  154   3HB   ALA  21          3HB       ALA  21  10.740  -0.784  -5.210
  155    H    LYS  22           H        LYS  22  10.167  -3.000  -4.725
  156    HA   LYS  22           HA       LYS  22  10.267  -4.501  -7.096
  157   1HB   LYS  22          1HB       LYS  22  11.987  -4.594  -5.370
  158   2HB   LYS  22          2HB       LYS  22  10.839  -5.271  -4.228
  159   1HG   LYS  22          1HG       LYS  22  10.663  -7.285  -5.628
  160   2HG   LYS  22          2HG       LYS  22  11.872  -6.604  -6.723
  161   1HD   LYS  22          1HD       LYS  22  13.478  -6.508  -4.864
  162   2HD   LYS  22          2HD       LYS  22  12.269  -7.222  -3.795
  163   1HE   LYS  22          1HE       LYS  22  13.420  -8.520  -6.262
  164   2HE   LYS  22          2HE       LYS  22  13.897  -8.876  -4.603
  165   1HZ   LYS  22          1HZ       LYS  22  11.485  -9.477  -4.230
  166   2HZ   LYS  22          2HZ       LYS  22  12.383 -10.533  -5.199
  167   3HZ   LYS  22          3HZ       LYS  22  11.304  -9.440  -5.919
  168    H    GLN  23           H        GLN  23   8.416  -4.993  -4.109
  169    HA   GLN  23           HA       GLN  23   7.474  -7.566  -4.871
  170   1HB   GLN  23          1HB       GLN  23   7.892  -6.699  -2.541
  171   2HB   GLN  23          2HB       GLN  23   6.402  -5.787  -2.692
  172   1HG   GLN  23          1HG       GLN  23   5.139  -7.827  -2.942
  173   2HG   GLN  23          2HG       GLN  23   6.629  -8.771  -2.896
  174   1HE2  GLN  23          1HE2      GLN  23   6.184  -5.956  -0.920
  175   2HE2  GLN  23          2HE2      GLN  23   6.060  -6.785   0.593
  176    H    THR  24           H        THR  24   6.206  -4.345  -5.318
  177    HA   THR  24           HA       THR  24   3.610  -5.508  -6.078
  178    HB   THR  24           HB       THR  24   3.818  -2.573  -5.777
  179    HG1  THR  24           HG1      THR  24   4.918  -2.970  -3.931
  180   1HG2  THR  24          1HG2      THR  24   1.870  -4.627  -4.737
  181   2HG2  THR  24          2HG2      THR  24   1.700  -3.721  -6.242
  182   3HG2  THR  24          3HG2      THR  24   1.656  -2.878  -4.691
  183    H    ASP  25           H        ASP  25   6.288  -4.978  -7.527
  184    HA   ASP  25           HA       ASP  25   7.059  -4.389  -9.577
  185   1HB   ASP  25          1HB       ASP  25   5.202  -6.056 -10.094
  186   2HB   ASP  25          2HB       ASP  25   4.204  -4.668 -10.513
  187    H    THR  26           H        THR  26   7.171  -2.190  -8.398
  188    HA   THR  26           HA       THR  26   5.865  -0.196 -10.107
  189    HB   THR  26           HB       THR  26   5.636   1.220  -7.944
  190    HG1  THR  26           HG1      THR  26   6.128  -1.352  -6.968
  191   1HG2  THR  26          1HG2      THR  26   3.729   0.462  -9.275
  192   2HG2  THR  26          2HG2      THR  26   3.373   0.357  -7.550
  193   3HG2  THR  26          3HG2      THR  26   3.774  -1.099  -8.460
  194    H    GLN  27           H        GLN  27   6.856   1.961  -9.892
  195    HA   GLN  27           HA       GLN  27   9.713   1.800  -9.182
  196   1HB   GLN  27          1HB       GLN  27   9.315   2.270 -11.553
  197   2HB   GLN  27          2HB       GLN  27   8.281   3.625 -11.130
  198   1HG   GLN  27          1HG       GLN  27  10.455   4.405 -11.837
  199   2HG   GLN  27          2HG       GLN  27  10.189   4.774 -10.134
  200   1HE2  GLN  27          1HE2      GLN  27  11.987   2.884 -12.412
  201   2HE2  GLN  27          2HE2      GLN  27  13.199   2.329 -11.304
  202    H    LEU  28           H        LEU  28  10.342   2.972  -7.464
  203    HA   LEU  28           HA       LEU  28   8.525   5.095  -6.542
  204   1HB   LEU  28          1HB       LEU  28  10.122   3.176  -4.845
  205   2HB   LEU  28          2HB       LEU  28   9.199   4.531  -4.229
  206    HG   LEU  28           HG       LEU  28   8.088   2.077  -5.593
  207   1HD1  LEU  28          1HD1      LEU  28   7.879   3.089  -2.764
  208   2HD1  LEU  28          2HD1      LEU  28   8.790   1.682  -3.308
  209   3HD1  LEU  28          3HD1      LEU  28   7.031   1.688  -3.415
  210   1HD2  LEU  28          1HD2      LEU  28   6.626   4.467  -4.482
  211   2HD2  LEU  28          2HD2      LEU  28   5.892   3.007  -5.150
  212   3HD2  LEU  28          3HD2      LEU  28   6.819   4.087  -6.192
  213    H    LEU  29           H        LEU  29   9.384   7.028  -6.375
  214    HA   LEU  29           HA       LEU  29  12.310   7.268  -6.235
  215   1HB   LEU  29          1HB       LEU  29  10.184   9.127  -7.280
  216   2HB   LEU  29          2HB       LEU  29  11.797   9.692  -6.907
  217    HG   LEU  29           HG       LEU  29  11.728   9.323  -9.243
  218   1HD1  LEU  29          1HD1      LEU  29  13.403   7.600  -9.591
  219   2HD1  LEU  29          2HD1      LEU  29  13.072   6.941  -7.987
  220   3HD1  LEU  29          3HD1      LEU  29  13.767   8.555  -8.152
  221   1HD2  LEU  29          1HD2      LEU  29  11.075   7.187 -10.254
  222   2HD2  LEU  29          2HD2      LEU  29   9.745   7.940  -9.377
  223   3HD2  LEU  29          3HD2      LEU  29  10.616   6.583  -8.662
  224    H    TYR  30           H        TYR  30  13.155   7.897  -4.392
  225    HA   TYR  30           HA       TYR  30  11.827   9.714  -2.601
  226   1HB   TYR  30          1HB       TYR  30  11.810   8.155  -0.676
  227   2HB   TYR  30          2HB       TYR  30  10.725   7.625  -1.955
  228    HD1  TYR  30           HD1      TYR  30  11.269   5.652  -3.309
  229    HD2  TYR  30           HD2      TYR  30  13.772   6.870  -0.084
  230    HE1  TYR  30           HE1      TYR  30  12.379   3.462  -3.348
  231    HE2  TYR  30           HE2      TYR  30  14.884   4.678  -0.119
  232    HH   TYR  30           HH       TYR  30  14.482   2.458  -2.685
  233    H    SER  31           H        SER  31  13.238  10.532  -1.011
  234    HA   SER  31           HA       SER  31  16.064   9.863  -1.470
  235   1HB   SER  31          1HB       SER  31  14.872  12.337  -0.196
  236   2HB   SER  31          2HB       SER  31  16.575  12.077  -0.576
  237    HG   SER  31           HG       SER  31  14.824  13.181  -2.119
  238    HA   PRO  32           HA       PRO  32  15.740   7.737   2.494
  239   1HB   PRO  32          1HB       PRO  32  18.669   7.544   2.064
  240   2HB   PRO  32          2HB       PRO  32  17.496   6.269   2.404
  241   1HG   PRO  32          1HG       PRO  32  18.532   6.550  -0.033
  242   2HG   PRO  32          2HG       PRO  32  16.828   6.109   0.189
  243   1HD   PRO  32          1HD       PRO  32  18.025   8.751  -0.538
  244   2HD   PRO  32          2HD       PRO  32  16.550   7.974  -1.152
  245    H    GLU  33           H        GLU  33  17.805  10.383   1.632
  246    HA   GLU  33           HA       GLU  33  18.903  10.891   4.209
  247   1HB   GLU  33          1HB       GLU  33  18.546  12.825   1.920
  248   2HB   GLU  33          2HB       GLU  33  19.678  12.970   3.257
  249   1HG   GLU  33          1HG       GLU  33  20.928  11.077   2.469
  250   2HG   GLU  33          2HG       GLU  33  19.741  10.783   1.198
  251    H    ASP  34           H        ASP  34  16.058  12.021   2.468
  252    HA   ASP  34           HA       ASP  34  15.608  14.145   4.394
  253   1HB   ASP  34          1HB       ASP  34  14.177  13.405   1.840
  254   2HB   ASP  34          2HB       ASP  34  13.704  14.747   2.878
  255    H    ILE  35           H        ILE  35  14.792  10.923   4.196
  256    HA   ILE  35           HA       ILE  35  12.198  11.291   5.501
  257    HB   ILE  35           HB       ILE  35  11.958   8.842   5.322
  258   1HG1  ILE  35          1HG1      ILE  35  14.599   8.980   3.848
  259   2HG1  ILE  35          2HG1      ILE  35  14.343   8.233   5.422
  260   1HG2  ILE  35          1HG2      ILE  35  11.669   8.760   2.902
  261   2HG2  ILE  35          2HG2      ILE  35  12.673  10.199   2.728
  262   3HG2  ILE  35          3HG2      ILE  35  11.119  10.302   3.558
  263   1HD1  ILE  35          1HD1      ILE  35  12.849   6.598   4.389
  264   2HD1  ILE  35          2HD1      ILE  35  14.460   6.566   3.672
  265   3HD1  ILE  35          3HD1      ILE  35  13.130   7.345   2.818
  266    H    GLY  36           H        GLY  36  15.178  11.525   6.512
  267   1HA   GLY  36          1HA       GLY  36  15.958  11.720   8.661
  268   2HA   GLY  36          2HA       GLY  36  14.371  11.225   9.216
  269    H    GLY  37           H        GLY  37  15.249   8.770   7.268
  270   1HA   GLY  37          1HA       GLY  37  16.086   6.654   7.673
  271   2HA   GLY  37          2HA       GLY  37  17.042   7.345   8.981
  272    H    LEU  38           H        LEU  38  13.564   7.156   8.390
  273    HA   LEU  38           HA       LEU  38  13.063   6.446  11.151
  274   1HB   LEU  38          1HB       LEU  38  11.168   6.777   8.815
  275   2HB   LEU  38          2HB       LEU  38  10.696   6.616  10.496
  276    HG   LEU  38           HG       LEU  38  12.357   8.903   9.443
  277   1HD1  LEU  38          1HD1      LEU  38  10.178   8.948   8.379
  278   2HD1  LEU  38          2HD1      LEU  38  10.294  10.228   9.586
  279   3HD1  LEU  38          3HD1      LEU  38   9.388   8.758   9.944
  280   1HD2  LEU  38          1HD2      LEU  38  11.730   9.966  11.553
  281   2HD2  LEU  38          2HD2      LEU  38  12.612   8.462  11.827
  282   3HD2  LEU  38          3HD2      LEU  38  10.861   8.507  12.030
  283    H    ARG  39           H        ARG  39  11.352   4.644  11.492
  284    HA   ARG  39           HA       ARG  39  11.921   2.397   9.670
  285   1HB   ARG  39          1HB       ARG  39  11.437   0.866  11.599
  286   2HB   ARG  39          2HB       ARG  39  12.920   1.790  11.744
  287   1HG   ARG  39          1HG       ARG  39  10.419   2.799  13.008
  288   2HG   ARG  39          2HG       ARG  39  11.345   1.509  13.784
  289   1HD   ARG  39          1HD       ARG  39  12.265   4.294  13.094
  290   2HD   ARG  39          2HD       ARG  39  12.111   3.570  14.696
  291    HE   ARG  39           HE       ARG  39  13.899   1.953  13.503
  292   1HH1  ARG  39          1HH1      ARG  39  13.728   5.434  13.839
  293   2HH1  ARG  39          2HH1      ARG  39  15.455   5.648  13.763
  294   1HH2  ARG  39          1HH2      ARG  39  16.161   2.235  13.380
  295   2HH2  ARG  39          2HH2      ARG  39  16.834   3.830  13.506
  296    H    SER  40           H        SER  40  10.238   1.064   9.110
  297    HA   SER  40           HA       SER  40   7.691   2.453   9.127
  298   1HB   SER  40          1HB       SER  40   7.206   0.531   7.422
  299   2HB   SER  40          2HB       SER  40   8.297   1.841   6.965
  300    HG   SER  40           HG       SER  40   8.816  -0.820   7.307
  301    H    SER  41           H        SER  41   5.697   1.304   9.385
  302    HA   SER  41           HA       SER  41   5.769  -0.670  11.520
  303   1HB   SER  41          1HB       SER  41   4.244   1.316  11.627
  304   2HB   SER  41          2HB       SER  41   3.394   0.693  10.214
  305    HG   SER  41           HG       SER  41   2.630   0.192  12.503
  306    H    ALA  42           H        ALA  42   5.198  -2.772  11.256
  307    HA   ALA  42           HA       ALA  42   5.465  -3.945   8.726
  308   1HB   ALA  42          1HB       ALA  42   4.258  -5.158  11.212
  309   2HB   ALA  42          2HB       ALA  42   5.978  -5.105  10.826
  310   3HB   ALA  42          3HB       ALA  42   4.878  -6.037   9.814
  311    H    LEU  43           H        LEU  43   4.048  -3.482   7.142
  312    HA   LEU  43           HA       LEU  43   1.198  -3.998   7.686
  313   1HB   LEU  43          1HB       LEU  43   2.039  -1.660   6.872
  314   2HB   LEU  43          2HB       LEU  43   2.210  -2.450   5.318
  315    HG   LEU  43           HG       LEU  43   0.093  -1.160   5.583
  316   1HD1  LEU  43          1HD1      LEU  43  -1.390  -2.884   4.683
  317   2HD1  LEU  43          2HD1      LEU  43  -0.242  -4.126   5.177
  318   3HD1  LEU  43          3HD1      LEU  43   0.210  -2.948   3.946
  319   1HD2  LEU  43          1HD2      LEU  43  -1.687  -2.099   6.973
  320   2HD2  LEU  43          2HD2      LEU  43  -0.302  -1.595   7.941
  321   3HD2  LEU  43          3HD2      LEU  43  -0.560  -3.304   7.597
  322    H    LYS  44           H        LYS  44   1.008  -6.133   7.181
  323    HA   LYS  44           HA       LYS  44   1.722  -6.861   4.446
  324   1HB   LYS  44          1HB       LYS  44   2.423  -9.150   5.390
  325   2HB   LYS  44          2HB       LYS  44   3.552  -7.810   5.493
  326   1HG   LYS  44          1HG       LYS  44   2.724  -7.451   7.849
  327   2HG   LYS  44          2HG       LYS  44   1.886  -8.998   7.688
  328   1HD   LYS  44          1HD       LYS  44   3.942 -10.153   7.304
  329   2HD   LYS  44          2HD       LYS  44   4.834  -8.635   7.195
  330   1HE   LYS  44          1HE       LYS  44   4.205  -8.189   9.571
  331   2HE   LYS  44          2HE       LYS  44   3.520  -9.813   9.634
  332   1HZ   LYS  44          1HZ       LYS  44   6.357  -9.116   9.104
  333   2HZ   LYS  44          2HZ       LYS  44   5.721 -10.684   9.030
  334   3HZ   LYS  44          3HZ       LYS  44   5.739  -9.848  10.505
  335    H    GLY  45           H        GLY  45   0.200  -7.808   3.395
  336   1HA   GLY  45          1HA       GLY  45  -1.592  -9.743   4.254
  337   2HA   GLY  45          2HA       GLY  45  -2.375  -8.188   4.510
  338    H    ARG  46           H        ARG  46  -3.923  -8.991   2.873
  339    HA   ARG  46           HA       ARG  46  -2.877  -8.928   0.133
  340   1HB   ARG  46          1HB       ARG  46  -5.473  -9.852   1.329
  341   2HB   ARG  46          2HB       ARG  46  -5.386  -9.457  -0.378
  342   1HG   ARG  46          1HG       ARG  46  -5.126 -11.821  -0.088
  343   2HG   ARG  46          2HG       ARG  46  -3.602 -11.136  -0.648
  344   1HD   ARG  46          1HD       ARG  46  -3.258 -12.808   1.107
  345   2HD   ARG  46          2HD       ARG  46  -2.715 -11.209   1.613
  346    HE   ARG  46           HE       ARG  46  -5.000 -11.119   2.767
  347   1HH1  ARG  46          1HH1      ARG  46  -3.244 -14.113   2.239
  348   2HH1  ARG  46          2HH1      ARG  46  -3.799 -14.849   3.721
  349   1HH2  ARG  46          1HH2      ARG  46  -5.750 -12.082   4.693
  350   2HH2  ARG  46          2HH2      ARG  46  -5.225 -13.686   5.118
  351    H    HIS  47           H        HIS  47  -2.525  -6.833  -0.349
  352    HA   HIS  47           HA       HIS  47  -4.856  -5.042  -0.313
  353   1HB   HIS  47          1HB       HIS  47  -2.118  -4.411   0.798
  354   2HB   HIS  47          2HB       HIS  47  -3.262  -3.159   0.335
  355    HD1  HIS  47           HD1      HIS  47  -5.141  -2.628   1.933
  356    HD2  HIS  47           HD2      HIS  47  -2.881  -5.927   3.091
  357    HE1  HIS  47           HE1      HIS  47  -5.860  -3.155   4.290
  358    HE2  HIS  47           HE2      HIS  47  -4.388  -5.075   5.013
  359    H    ASP  48           H        ASP  48  -4.880  -3.517  -1.978
  360    HA   ASP  48           HA       ASP  48  -3.140  -4.108  -4.209
  361   1HB   ASP  48          1HB       ASP  48  -4.506  -2.623  -5.506
  362   2HB   ASP  48          2HB       ASP  48  -5.584  -3.581  -4.500
  363    H    LEU  49           H        LEU  49  -2.490  -1.897  -5.449
  364    HA   LEU  49           HA       LEU  49  -0.241  -0.975  -4.067
  365   1HB   LEU  49          1HB       LEU  49  -0.426  -1.006  -6.512
  366   2HB   LEU  49          2HB       LEU  49  -1.643   0.254  -6.443
  367    HG   LEU  49           HG       LEU  49   0.045   1.798  -5.491
  368   1HD1  LEU  49          1HD1      LEU  49   2.394   1.192  -5.535
  369   2HD1  LEU  49          2HD1      LEU  49   1.980  -0.440  -6.062
  370   3HD1  LEU  49          3HD1      LEU  49   1.495   0.120  -4.460
  371   1HD2  LEU  49          1HD2      LEU  49   1.303   2.120  -7.563
  372   2HD2  LEU  49          2HD2      LEU  49  -0.398   1.778  -7.885
  373   3HD2  LEU  49          3HD2      LEU  49   0.814   0.514  -8.109
  374    H    GLN  50           H        GLN  50  -3.225   0.820  -4.872
  375    HA   GLN  50           HA       GLN  50  -2.442   3.166  -3.512
  376   1HB   GLN  50          1HB       GLN  50  -4.131   3.178  -5.277
  377   2HB   GLN  50          2HB       GLN  50  -5.204   2.213  -4.277
  378   1HG   GLN  50          1HG       GLN  50  -5.455   4.004  -2.708
  379   2HG   GLN  50          2HG       GLN  50  -4.223   4.955  -3.539
  380   1HE2  GLN  50          1HE2      GLN  50  -7.470   3.709  -3.697
  381   2HE2  GLN  50          2HE2      GLN  50  -8.032   4.775  -4.937
  382    H    SER  51           H        SER  51  -4.288   0.330  -2.516
  383    HA   SER  51           HA       SER  51  -5.208   1.271  -0.045
  384   1HB   SER  51          1HB       SER  51  -5.995  -0.822  -1.076
  385   2HB   SER  51          2HB       SER  51  -4.413  -1.553  -0.807
  386    HG   SER  51           HG       SER  51  -6.356  -0.758   1.100
  387    H    SER  52           H        SER  52  -2.279  -0.623  -0.784
  388    HA   SER  52           HA       SER  52  -1.298  -0.645   1.845
  389   1HB   SER  52          1HB       SER  52   0.911  -1.207   0.725
  390   2HB   SER  52          2HB       SER  52  -0.442  -2.266   0.335
  391    HG   SER  52           HG       SER  52  -0.591  -1.368  -1.653
  392    H    LEU  53           H        LEU  53  -0.633   1.552  -0.865
  393    HA   LEU  53           HA       LEU  53   1.366   3.067   0.376
  394   1HB   LEU  53          1HB       LEU  53  -0.666   3.886  -1.705
  395   2HB   LEU  53          2HB       LEU  53   0.701   4.871  -1.226
  396    HG   LEU  53           HG       LEU  53   0.878   2.155  -2.530
  397   1HD1  LEU  53          1HD1      LEU  53   1.414   4.920  -3.612
  398   2HD1  LEU  53          2HD1      LEU  53   0.080   3.861  -4.070
  399   3HD1  LEU  53          3HD1      LEU  53   1.740   3.405  -4.457
  400   1HD2  LEU  53          1HD2      LEU  53   3.267   2.618  -2.684
  401   2HD2  LEU  53          2HD2      LEU  53   2.738   2.590  -1.003
  402   3HD2  LEU  53          3HD2      LEU  53   3.037   4.129  -1.806
  403    H    ARG  54           H        ARG  54  -2.165   3.544   0.339
  404    HA   ARG  54           HA       ARG  54  -2.150   6.024   1.662
  405   1HB   ARG  54          1HB       ARG  54  -4.222   3.912   1.235
  406   2HB   ARG  54          2HB       ARG  54  -4.558   5.255   2.322
  407   1HG   ARG  54          1HG       ARG  54  -3.676   5.581  -0.539
  408   2HG   ARG  54          2HG       ARG  54  -5.360   5.593  -0.009
  409   1HD   ARG  54          1HD       ARG  54  -4.964   7.531   1.370
  410   2HD   ARG  54          2HD       ARG  54  -3.236   7.470   1.025
  411    HE   ARG  54           HE       ARG  54  -3.992   7.865  -1.390
  412   1HH1  ARG  54          1HH1      ARG  54  -5.662   9.126   1.423
  413   2HH1  ARG  54          2HH1      ARG  54  -6.287  10.513   0.576
  414   1HH2  ARG  54          1HH2      ARG  54  -4.782   9.699  -2.490
  415   2HH2  ARG  54          2HH2      ARG  54  -5.775  10.846  -1.640
  416    H    ILE  55           H        ILE  55  -2.350   2.730   2.939
  417    HA   ILE  55           HA       ILE  55  -2.783   3.584   5.631
  418    HB   ILE  55           HB       ILE  55  -1.841   0.902   4.601
  419   1HG1  ILE  55          1HG1      ILE  55  -4.609   1.847   5.385
  420   2HG1  ILE  55          2HG1      ILE  55  -4.051   1.606   3.732
  421   1HG2  ILE  55          1HG2      ILE  55  -2.988   1.657   7.288
  422   2HG2  ILE  55          2HG2      ILE  55  -1.303   1.247   6.965
  423   3HG2  ILE  55          3HG2      ILE  55  -2.563   0.029   6.762
  424   1HD1  ILE  55          1HD1      ILE  55  -3.746  -0.776   4.189
  425   2HD1  ILE  55          2HD1      ILE  55  -5.407  -0.258   4.473
  426   3HD1  ILE  55          3HD1      ILE  55  -4.322  -0.528   5.836
  427    H    LEU  56           H        LEU  56   0.042   2.474   3.808
  428    HA   LEU  56           HA       LEU  56   1.803   2.389   6.031
  429   1HB   LEU  56          1HB       LEU  56   1.985   1.229   3.741
  430   2HB   LEU  56          2HB       LEU  56   2.630   2.747   3.159
  431    HG   LEU  56           HG       LEU  56   3.893   1.220   5.434
  432   1HD1  LEU  56          1HD1      LEU  56   4.526   1.085   2.488
  433   2HD1  LEU  56          2HD1      LEU  56   3.844  -0.211   3.470
  434   3HD1  LEU  56          3HD1      LEU  56   5.484   0.360   3.781
  435   1HD2  LEU  56          1HD2      LEU  56   4.516   3.589   5.241
  436   2HD2  LEU  56          2HD2      LEU  56   4.986   3.322   3.562
  437   3HD2  LEU  56          3HD2      LEU  56   5.870   2.524   4.862
  438    H    LEU  57           H        LEU  57   1.242   4.809   3.491
  439    HA   LEU  57           HA       LEU  57   3.395   6.486   4.309
  440   1HB   LEU  57          1HB       LEU  57   2.350   6.374   2.017
  441   2HB   LEU  57          2HB       LEU  57   0.992   7.268   2.671
  442    HG   LEU  57           HG       LEU  57   2.561   9.120   3.251
  443   1HD1  LEU  57          1HD1      LEU  57   4.500   7.454   1.653
  444   2HD1  LEU  57          2HD1      LEU  57   4.626   7.863   3.365
  445   3HD1  LEU  57          3HD1      LEU  57   4.757   9.128   2.142
  446   1HD2  LEU  57          1HD2      LEU  57   1.204   9.180   1.224
  447   2HD2  LEU  57          2HD2      LEU  57   2.468   8.317   0.347
  448   3HD2  LEU  57          3HD2      LEU  57   2.775   9.939   0.965
  449    H    GLN  58           H        GLN  58  -0.047   6.418   4.963
  450    HA   GLN  58           HA       GLN  58  -0.572   8.808   6.140
  451   1HB   GLN  58          1HB       GLN  58  -2.220   7.038   5.825
  452   2HB   GLN  58          2HB       GLN  58  -1.460   6.084   7.090
  453   1HG   GLN  58          1HG       GLN  58  -2.022   7.865   8.708
  454   2HG   GLN  58          2HG       GLN  58  -2.879   8.717   7.422
  455   1HE2  GLN  58          1HE2      GLN  58  -2.835   5.246   7.699
  456   2HE2  GLN  58          2HE2      GLN  58  -4.500   5.059   8.139
  457    H    GLY  59           H        GLY  59   0.649   9.915   7.547
  458   1HA   GLY  59          1HA       GLY  59   0.906  10.191   9.960
  459   2HA   GLY  59          2HA       GLY  59   1.419   8.513  10.028
  460    H    THR  60           H        THR  60   2.944   9.317   7.375
  461    HA   THR  60           HA       THR  60   5.374   9.949   8.839
  462    HB   THR  60           HB       THR  60   6.544   9.464   6.710
  463    HG1  THR  60           HG1      THR  60   4.088   8.538   5.654
  464   1HG2  THR  60          1HG2      THR  60   6.045   7.066   6.658
  465   2HG2  THR  60          2HG2      THR  60   4.550   7.352   7.550
  466   3HG2  THR  60          3HG2      THR  60   6.108   7.663   8.316
  467    H    GLY  61           H        GLY  61   3.044  11.753   7.249
  468   1HA   GLY  61          1HA       GLY  61   3.008  13.996   6.723
  469   2HA   GLY  61          2HA       GLY  61   4.675  14.099   7.264
  470    H    LEU  62           H        LEU  62   4.277  11.676   4.950
  471    HA   LEU  62           HA       LEU  62   5.471  13.418   2.917
  472   1HB   LEU  62          1HB       LEU  62   5.322  10.405   3.001
  473   2HB   LEU  62          2HB       LEU  62   6.250  11.372   1.870
  474    HG   LEU  62           HG       LEU  62   6.763  11.203   4.844
  475   1HD1  LEU  62          1HD1      LEU  62   7.294   9.114   3.711
  476   2HD1  LEU  62          2HD1      LEU  62   8.765   9.950   4.210
  477   3HD1  LEU  62          3HD1      LEU  62   8.257   9.991   2.522
  478   1HD2  LEU  62          1HD2      LEU  62   7.403  13.357   3.908
  479   2HD2  LEU  62          2HD2      LEU  62   8.324  12.546   2.641
  480   3HD2  LEU  62          3HD2      LEU  62   8.828  12.405   4.326
  481    H    ARG  63           H        ARG  63   4.804  13.062   0.663
  482    HA   ARG  63           HA       ARG  63   2.033  12.088   0.406
  483   1HB   ARG  63          1HB       ARG  63   3.247  14.568  -0.818
  484   2HB   ARG  63          2HB       ARG  63   1.710  13.882  -1.327
  485   1HG   ARG  63          1HG       ARG  63   0.865  14.197   0.983
  486   2HG   ARG  63          2HG       ARG  63   2.380  15.011   1.379
  487   1HD   ARG  63          1HD       ARG  63   1.942  16.743  -0.208
  488   2HD   ARG  63          2HD       ARG  63   0.538  15.880  -0.836
  489    HE   ARG  63           HE       ARG  63   0.662  16.963   1.906
  490   1HH1  ARG  63          1HH1      ARG  63  -1.013  16.440  -1.123
  491   2HH1  ARG  63          2HH1      ARG  63  -2.507  17.145  -0.566
  492   1HH2  ARG  63          1HH2      ARG  63  -1.283  17.886   2.648
  493   2HH2  ARG  63          2HH2      ARG  63  -2.667  17.957   1.589
  494    H    TYR  64           H        TYR  64   1.533  11.052  -1.530
  495    HA   TYR  64           HA       TYR  64   3.910  10.314  -3.089
  496   1HB   TYR  64          1HB       TYR  64   2.840   8.234  -3.695
  497   2HB   TYR  64          2HB       TYR  64   2.824   8.411  -1.950
  498    HD1  TYR  64           HD1      TYR  64   0.716   8.688  -0.748
  499    HD2  TYR  64           HD2      TYR  64   0.773   8.268  -4.981
  500    HE1  TYR  64           HE1      TYR  64  -1.692   8.181  -0.735
  501    HE2  TYR  64           HE2      TYR  64  -1.626   7.771  -4.977
  502    HH   TYR  64           HH       TYR  64  -3.338   7.007  -3.539
  503    H    GLN  65           H        GLN  65   4.109  11.188  -4.996
  504    HA   GLN  65           HA       GLN  65   1.721  11.983  -6.492
  505   1HB   GLN  65          1HB       GLN  65   3.630  13.571  -6.308
  506   2HB   GLN  65          2HB       GLN  65   4.653  12.403  -7.133
  507   1HG   GLN  65          1HG       GLN  65   3.904  14.146  -8.647
  508   2HG   GLN  65          2HG       GLN  65   3.276  12.572  -9.125
  509   1HE2  GLN  65          1HE2      GLN  65   2.490  15.715  -7.864
  510   2HE2  GLN  65          2HE2      GLN  65   0.776  15.574  -8.040
  511    H    ILE  66           H        ILE  66   0.833  10.379  -7.617
  512    HA   ILE  66           HA       ILE  66   2.559   8.174  -8.483
  513    HB   ILE  66           HB       ILE  66   0.822   7.486  -6.960
  514   1HG1  ILE  66          1HG1      ILE  66   0.127   6.610  -9.773
  515   2HG1  ILE  66          2HG1      ILE  66   1.430   5.946  -8.794
  516   1HG2  ILE  66          1HG2      ILE  66  -1.562   7.708  -7.506
  517   2HG2  ILE  66          2HG2      ILE  66  -1.135   8.671  -8.920
  518   3HG2  ILE  66          3HG2      ILE  66  -0.775   9.273  -7.302
  519   1HD1  ILE  66          1HD1      ILE  66  -0.193   5.125  -7.174
  520   2HD1  ILE  66          2HD1      ILE  66  -0.528   4.499  -8.789
  521   3HD1  ILE  66          3HD1      ILE  66  -1.506   5.813  -8.132
  522    H    ASP  67           H        ASP  67   2.979   7.883 -10.531
  523    HA   ASP  67           HA       ASP  67   1.085   8.877 -12.557
  524   1HB   ASP  67          1HB       ASP  67   3.106  10.315 -12.440
  525   2HB   ASP  67          2HB       ASP  67   4.107   8.903 -12.763
  526    H    GLY  68           H        GLY  68   0.163   6.857 -12.768
  527   1HA   GLY  68          1HA       GLY  68  -0.114   4.782 -13.722
  528   2HA   GLY  68          2HA       GLY  68   1.401   5.054 -14.563
  529    H    ASN  69           H        ASN  69   3.265   4.147 -13.799
  530    HA   ASN  69           HA       ASN  69   2.933   2.290 -11.532
  531   1HB   ASN  69          1HB       ASN  69   4.540   0.807 -12.575
  532   2HB   ASN  69          2HB       ASN  69   3.262   1.172 -13.728
  533   1HD2  ASN  69          1HD2      ASN  69   5.994   0.244 -14.167
  534   2HD2  ASN  69          2HD2      ASN  69   6.722   1.415 -15.220
  535    H    THR  70           H        THR  70   4.274   5.134 -12.337
  536    HA   THR  70           HA       THR  70   6.677   4.733 -10.689
  537    HB   THR  70           HB       THR  70   6.048   7.001 -12.600
  538    HG1  THR  70           HG1      THR  70   6.567   5.350 -13.913
  539   1HG2  THR  70          1HG2      THR  70   8.588   6.336 -11.108
  540   2HG2  THR  70          2HG2      THR  70   7.506   7.684 -10.753
  541   3HG2  THR  70          3HG2      THR  70   8.390   7.638 -12.281
  542    H    VAL  71           H        VAL  71   6.863   5.792  -8.785
  543    HA   VAL  71           HA       VAL  71   4.746   7.712  -8.084
  544    HB   VAL  71           HB       VAL  71   5.799   5.533  -6.272
  545   1HG1  VAL  71          1HG1      VAL  71   5.222   7.491  -5.007
  546   2HG1  VAL  71          2HG1      VAL  71   3.964   6.275  -4.772
  547   3HG1  VAL  71          3HG1      VAL  71   3.686   7.636  -5.859
  548   1HG2  VAL  71          1HG2      VAL  71   3.116   5.789  -7.629
  549   2HG2  VAL  71          2HG2      VAL  71   3.553   4.561  -6.441
  550   3HG2  VAL  71          3HG2      VAL  71   4.369   4.602  -8.003
  551    H    THR  72           H        THR  72   5.474   9.526  -7.194
  552    HA   THR  72           HA       THR  72   8.295   9.621  -6.353
  553    HB   THR  72           HB       THR  72   6.514  11.932  -7.167
  554    HG1  THR  72           HG1      THR  72   8.667  10.988  -8.728
  555   1HG2  THR  72          1HG2      THR  72   9.505  11.770  -6.758
  556   2HG2  THR  72          2HG2      THR  72   8.361  12.569  -5.680
  557   3HG2  THR  72          3HG2      THR  72   8.614  13.190  -7.313
  558    H    VAL  73           H        VAL  73   8.517   9.523  -4.213
  559    HA   VAL  73           HA       VAL  73   6.351  10.418  -2.477
  560    HB   VAL  73           HB       VAL  73   8.976   9.128  -1.698
  561   1HG1  VAL  73          1HG1      VAL  73   6.402   9.491  -0.162
  562   2HG1  VAL  73          2HG1      VAL  73   7.914  10.356   0.119
  563   3HG1  VAL  73          3HG1      VAL  73   7.826   8.617   0.405
  564   1HG2  VAL  73          1HG2      VAL  73   7.708   7.042  -1.496
  565   2HG2  VAL  73          2HG2      VAL  73   7.696   7.645  -3.153
  566   3HG2  VAL  73          3HG2      VAL  73   6.275   7.850  -2.128
  567    H    THR  74           H        THR  74   6.315  12.518  -2.108
  568    HA   THR  74           HA       THR  74   8.871  13.911  -1.656
  569    HB   THR  74           HB       THR  74   7.668  14.727  -3.636
  570    HG1  THR  74           HG1      THR  74   7.216  16.951  -2.182
  571   1HG2  THR  74          1HG2      THR  74   5.380  14.211  -2.968
  572   2HG2  THR  74          2HG2      THR  74   5.528  15.916  -3.392
  573   3HG2  THR  74          3HG2      THR  74   5.460  15.431  -1.696
  574    H    ALA  75           H        ALA  75   9.037  15.354   0.071
  575    HA   ALA  75           HA       ALA  75   7.338  14.769   2.319
  576   1HB   ALA  75          1HB       ALA  75   9.759  14.993   2.618
  577   2HB   ALA  75          2HB       ALA  75   8.882  16.184   3.579
  578   3HB   ALA  75          3HB       ALA  75   9.670  16.669   2.077
  579    H    SER  76           H        SER  76   5.760  16.058   3.147
  580    HA   SER  76           HA       SER  76   4.814  18.204   1.494
  581   1HB   SER  76          1HB       SER  76   3.312  16.581   2.686
  582   2HB   SER  76          2HB       SER  76   3.780  17.341   4.205
  583    HG   SER  76           HG       SER  76   3.027  19.260   2.509
  584    H    ALA  77           H        ALA  77   6.798  17.909   4.261
  585    HA   ALA  77           HA       ALA  77   7.934  19.360   5.564
  586   1HB   ALA  77          1HB       ALA  77   7.324  21.382   3.411
  587   2HB   ALA  77          2HB       ALA  77   8.664  20.237   3.381
  588   3HB   ALA  77          3HB       ALA  77   8.599  21.487   4.624
  589    H    ALA  78           H        ALA  78   5.856  21.916   4.333
  590    HA   ALA  78           HA       ALA  78   4.132  21.853   6.653
  591   1HB   ALA  78          1HB       ALA  78   4.698  24.089   7.437
  592   2HB   ALA  78          2HB       ALA  78   5.969  24.212   6.222
  593   3HB   ALA  78          3HB       ALA  78   6.104  23.029   7.521
  594    H    ALA  79           H        ALA  79   4.125  21.845   3.606
  595    HA   ALA  79           HA       ALA  79   1.945  23.716   3.256
  596   1HB   ALA  79          1HB       ALA  79   2.968  24.923   1.396
  597   2HB   ALA  79          2HB       ALA  79   4.475  24.039   1.642
  598   3HB   ALA  79          3HB       ALA  79   3.891  25.149   2.881
  599    H    LYS  80           H        LYS  80   1.209  23.631   0.861
  600    HA   LYS  80           HA       LYS  80   1.706  20.948  -0.253
  601   1HB   LYS  80          1HB       LYS  80  -0.655  20.857  -0.968
  602   2HB   LYS  80          2HB       LYS  80  -0.501  20.927   0.782
  603   1HG   LYS  80          1HG       LYS  80  -1.236  23.142   0.875
  604   2HG   LYS  80          2HG       LYS  80  -0.974  23.394  -0.853
  605   1HD   LYS  80          1HD       LYS  80  -3.356  23.171  -0.330
  606   2HD   LYS  80          2HD       LYS  80  -2.798  21.858  -1.366
  607   1HE   LYS  80          1HE       LYS  80  -2.657  20.378   0.563
  608   2HE   LYS  80          2HE       LYS  80  -3.163  21.692   1.623
  609   1HZ   LYS  80          1HZ       LYS  80  -5.003  20.229   1.079
  610   2HZ   LYS  80          2HZ       LYS  80  -4.788  20.523  -0.575
  611   3HZ   LYS  80          3HZ       LYS  80  -5.275  21.781   0.455
  612    H    ASP  81           H        ASP  81   2.639  23.792  -0.754
  613    HA   ASP  81           HA       ASP  81   2.347  23.670  -3.656
  614   1HB   ASP  81          1HB       ASP  81   1.631  26.049  -1.951
  615   2HB   ASP  81          2HB       ASP  81   2.198  26.261  -3.603
  616    H    GLY  82           H        GLY  82   4.148  24.352  -4.748
  617   1HA   GLY  82          1HA       GLY  82   6.193  25.705  -4.765
  618   2HA   GLY  82          2HA       GLY  82   6.394  25.270  -3.073
  Start of MODEL    9
    1   1H    SER   1          1H        SER   1 -10.945  -7.514  -4.952
    2   2H    SER   1          2H        SER   1  -9.702  -6.427  -5.334
    3   3H    SER   1          3H        SER   1  -9.333  -7.936  -4.653
    4    HA   SER   1           HA       SER   1 -10.086  -9.077  -6.591
    5   1HB   SER   1          1HB       SER   1 -11.831  -7.295  -7.124
    6   2HB   SER   1          2HB       SER   1 -10.525  -6.358  -7.847
    7    HG   SER   1           HG       SER   1 -10.536  -7.629  -9.529
    8    H    GLN   2           H        GLN   2  -8.187  -9.831  -7.191
    9    HA   GLN   2           HA       GLN   2  -6.019  -9.998  -7.808
   10   1HB   GLN   2          1HB       GLN   2  -6.645  -7.456  -9.314
   11   2HB   GLN   2          2HB       GLN   2  -5.215  -8.447  -9.564
   12   1HG   GLN   2          1HG       GLN   2  -6.748 -10.347 -10.131
   13   2HG   GLN   2          2HG       GLN   2  -8.078  -9.191 -10.092
   14   1HE2  GLN   2          1HE2      GLN   2  -5.233 -10.234 -11.775
   15   2HE2  GLN   2          2HE2      GLN   2  -5.516  -9.340 -13.229
   16    H    GLU   3           H        GLU   3  -5.447  -9.667  -5.613
   17    HA   GLU   3           HA       GLU   3  -4.260  -7.038  -4.988
   18   1HB   GLU   3          1HB       GLU   3  -4.830  -9.301  -3.061
   19   2HB   GLU   3          2HB       GLU   3  -4.364  -7.656  -2.660
   20   1HG   GLU   3          1HG       GLU   3  -6.597  -7.597  -2.217
   21   2HG   GLU   3          2HG       GLU   3  -6.579  -7.037  -3.886
   22    H    TRP   4           H        TRP   4  -2.336  -7.374  -3.403
   23    HA   TRP   4           HA       TRP   4  -0.678  -9.649  -4.260
   24   1HB   TRP   4          1HB       TRP   4   0.207  -6.775  -3.888
   25   2HB   TRP   4          2HB       TRP   4   1.302  -8.130  -4.132
   26    HD1  TRP   4           HD1      TRP   4   1.278  -9.282  -6.591
   27    HE1  TRP   4           HE1      TRP   4   0.670  -8.304  -8.893
   28    HE3  TRP   4           HE3      TRP   4  -1.296  -5.140  -5.048
   29    HZ2  TRP   4           HZ2      TRP   4  -0.716  -6.060  -9.916
   30    HZ3  TRP   4           HZ3      TRP   4  -2.223  -3.625  -6.752
   31    HH2  TRP   4           HH2      TRP   4  -1.937  -4.076  -9.133
   32    H    THR   5           H        THR   5   0.812 -10.381  -2.632
   33    HA   THR   5           HA       THR   5  -0.011  -9.634   0.050
   34    HB   THR   5           HB       THR   5   0.281 -12.010  -0.315
   35    HG1  THR   5           HG1      THR   5   2.449 -11.032   1.275
   36   1HG2  THR   5          1HG2      THR   5   2.461 -13.008  -0.832
   37   2HG2  THR   5          2HG2      THR   5   3.142 -11.397  -1.052
   38   3HG2  THR   5          3HG2      THR   5   1.885 -11.979  -2.144
   39    H    LEU   6           H        LEU   6   0.725  -7.725   0.535
   40    HA   LEU   6           HA       LEU   6   3.403  -6.938  -0.297
   41   1HB   LEU   6          1HB       LEU   6   1.120  -5.307   0.821
   42   2HB   LEU   6          2HB       LEU   6   2.671  -4.657   0.318
   43    HG   LEU   6           HG       LEU   6   0.634  -5.990  -1.471
   44   1HD1  LEU   6          1HD1      LEU   6  -0.020  -3.755  -0.810
   45   2HD1  LEU   6          2HD1      LEU   6   0.472  -3.775  -2.504
   46   3HD1  LEU   6          3HD1      LEU   6   1.563  -3.133  -1.274
   47   1HD2  LEU   6          1HD2      LEU   6   3.313  -4.792  -2.154
   48   2HD2  LEU   6          2HD2      LEU   6   2.120  -5.387  -3.309
   49   3HD2  LEU   6          3HD2      LEU   6   2.903  -6.507  -2.194
   50    H    ASP   7           H        ASP   7   4.730  -7.833   1.100
   51    HA   ASP   7           HA       ASP   7   4.272  -7.479   3.971
   52   1HB   ASP   7          1HB       ASP   7   6.050  -9.394   2.443
   53   2HB   ASP   7          2HB       ASP   7   6.152  -9.175   4.188
   54    H    ILE   8           H        ILE   8   5.012  -5.549   4.466
   55    HA   ILE   8           HA       ILE   8   7.497  -4.642   3.207
   56    HB   ILE   8           HB       ILE   8   5.084  -3.131   4.182
   57   1HG1  ILE   8          1HG1      ILE   8   6.336  -3.340   1.442
   58   2HG1  ILE   8          2HG1      ILE   8   5.046  -4.392   2.003
   59   1HG2  ILE   8          1HG2      ILE   8   6.200  -1.095   3.380
   60   2HG2  ILE   8          2HG2      ILE   8   7.663  -2.025   3.064
   61   3HG2  ILE   8          3HG2      ILE   8   7.082  -1.831   4.717
   62   1HD1  ILE   8          1HD1      ILE   8   4.905  -1.419   1.616
   63   2HD1  ILE   8          2HD1      ILE   8   3.611  -2.419   2.284
   64   3HD1  ILE   8          3HD1      ILE   8   4.150  -2.668   0.620
   65    HA   PRO   9           HA       PRO   9   9.524  -5.100   7.059
   66   1HB   PRO   9          1HB       PRO   9  11.344  -3.065   5.897
   67   2HB   PRO   9          2HB       PRO   9  11.706  -4.676   6.528
   68   1HG   PRO   9          1HG       PRO   9  11.697  -4.224   3.909
   69   2HG   PRO   9          2HG       PRO   9  11.036  -5.733   4.570
   70   1HD   PRO   9          1HD       PRO   9   9.598  -3.304   3.580
   71   2HD   PRO   9          2HD       PRO   9   9.197  -5.020   3.357
   72    H    ALA  10           H        ALA  10  10.171  -3.994   8.894
   73    HA   ALA  10           HA       ALA  10   8.946  -1.332   9.237
   74   1HB   ALA  10          1HB       ALA  10   9.593  -3.428  11.315
   75   2HB   ALA  10          2HB       ALA  10   7.991  -3.077  10.665
   76   3HB   ALA  10          3HB       ALA  10   8.838  -1.864  11.626
   77    H    GLN  11           H        GLN  11  11.503  -1.922   8.075
   78    HA   GLN  11           HA       GLN  11  13.420  -0.932  10.050
   79   1HB   GLN  11          1HB       GLN  11  13.806  -2.026   7.253
   80   2HB   GLN  11          2HB       GLN  11  15.104  -1.503   8.315
   81   1HG   GLN  11          1HG       GLN  11  14.782  -3.287   9.786
   82   2HG   GLN  11          2HG       GLN  11  13.184  -3.651   9.136
   83   1HE2  GLN  11          1HE2      GLN  11  14.040  -3.393   6.382
   84   2HE2  GLN  11          2HE2      GLN  11  14.943  -4.825   6.016
   85    H    SER  12           H        SER  12  15.172   0.341   8.254
   86    HA   SER  12           HA       SER  12  14.125   2.900   7.974
   87   1HB   SER  12          1HB       SER  12  16.050   3.243   6.367
   88   2HB   SER  12          2HB       SER  12  16.498   2.591   7.941
   89    HG   SER  12           HG       SER  12  17.451   1.116   6.783
   90    H    MET  13           H        MET  13  13.053   3.957   6.420
   91    HA   MET  13           HA       MET  13  11.264   2.687   4.774
   92   1HB   MET  13          1HB       MET  13  12.369   5.462   4.811
   93   2HB   MET  13          2HB       MET  13  11.266   4.983   3.527
   94   1HG   MET  13          1HG       MET  13   9.518   4.611   5.002
   95   2HG   MET  13          2HG       MET  13  10.583   4.551   6.406
   96   1HE   MET  13          1HE       MET  13   7.968   6.147   6.591
   97   2HE   MET  13          2HE       MET  13   8.494   7.694   7.256
   98   3HE   MET  13          3HE       MET  13   9.188   6.191   7.865
   99    H    ASN  14           H        ASN  14  14.584   3.428   4.064
  100    HA   ASN  14           HA       ASN  14  14.592   3.264   1.292
  101   1HB   ASN  14          1HB       ASN  14  16.593   3.822   2.624
  102   2HB   ASN  14          2HB       ASN  14  16.667   2.160   3.200
  103   1HD2  ASN  14          1HD2      ASN  14  18.624   1.668   2.348
  104   2HD2  ASN  14          2HD2      ASN  14  18.937   1.568   0.646
  105    H    SER  15           H        SER  15  14.581   0.661   3.719
  106    HA   SER  15           HA       SER  15  14.834  -1.421   1.757
  107   1HB   SER  15          1HB       SER  15  13.881  -1.739   4.614
  108   2HB   SER  15          2HB       SER  15  14.710  -2.922   3.598
  109    HG   SER  15           HG       SER  15  16.594  -1.989   3.977
  110    H    ALA  16           H        ALA  16  12.262  -0.054   3.750
  111    HA   ALA  16           HA       ALA  16  10.238  -1.872   3.107
  112   1HB   ALA  16          1HB       ALA  16   9.951   1.028   3.872
  113   2HB   ALA  16          2HB       ALA  16  10.132  -0.322   4.996
  114   3HB   ALA  16          3HB       ALA  16   8.699  -0.211   3.974
  115    H    LEU  17           H        LEU  17  10.946   1.317   1.694
  116    HA   LEU  17           HA       LEU  17   8.792   1.218  -0.143
  117   1HB   LEU  17          1HB       LEU  17  11.321   2.867  -0.218
  118   2HB   LEU  17          2HB       LEU  17   9.900   3.150  -1.200
  119    HG   LEU  17           HG       LEU  17   9.987   3.333   1.808
  120   1HD1  LEU  17          1HD1      LEU  17   9.760   5.734   1.457
  121   2HD1  LEU  17          2HD1      LEU  17   9.861   5.495  -0.287
  122   3HD1  LEU  17          3HD1      LEU  17  11.247   5.118   0.736
  123   1HD2  LEU  17          1HD2      LEU  17   7.804   2.650   0.985
  124   2HD2  LEU  17          2HD2      LEU  17   7.798   3.994  -0.158
  125   3HD2  LEU  17          3HD2      LEU  17   7.755   4.310   1.578
  126    H    GLN  18           H        GLN  18  12.224   0.402  -0.393
  127    HA   GLN  18           HA       GLN  18  12.251  -0.215  -3.139
  128   1HB   GLN  18          1HB       GLN  18  14.228   0.109  -1.565
  129   2HB   GLN  18          2HB       GLN  18  13.953  -1.542  -1.034
  130   1HG   GLN  18          1HG       GLN  18  14.346  -2.348  -3.297
  131   2HG   GLN  18          2HG       GLN  18  14.583  -0.690  -3.850
  132   1HE2  GLN  18          1HE2      GLN  18  16.428   0.439  -3.178
  133   2HE2  GLN  18          2HE2      GLN  18  17.834  -0.387  -2.594
  134    H    ALA  19           H        ALA  19  11.358  -2.088  -0.310
  135    HA   ALA  19           HA       ALA  19  11.210  -4.614  -1.588
  136   1HB   ALA  19          1HB       ALA  19   9.901  -5.318   0.350
  137   2HB   ALA  19          2HB       ALA  19   9.722  -3.637   0.851
  138   3HB   ALA  19          3HB       ALA  19  11.317  -4.391   0.848
  139    H    LEU  20           H        LEU  20   8.943  -1.960  -1.167
  140    HA   LEU  20           HA       LEU  20   6.624  -3.320  -2.086
  141   1HB   LEU  20          1HB       LEU  20   6.487  -1.268  -0.762
  142   2HB   LEU  20          2HB       LEU  20   7.305  -0.377  -2.030
  143    HG   LEU  20           HG       LEU  20   5.383  -0.788  -3.534
  144   1HD1  LEU  20          1HD1      LEU  20   4.580  -2.863  -2.529
  145   2HD1  LEU  20          2HD1      LEU  20   3.298  -1.654  -2.625
  146   3HD1  LEU  20          3HD1      LEU  20   4.092  -1.978  -1.083
  147   1HD2  LEU  20          1HD2      LEU  20   5.500   1.277  -2.286
  148   2HD2  LEU  20          2HD2      LEU  20   4.735   0.512  -0.894
  149   3HD2  LEU  20          3HD2      LEU  20   3.825   0.735  -2.388
  150    H    ALA  21           H        ALA  21   9.271  -1.634  -3.575
  151    HA   ALA  21           HA       ALA  21   8.131  -1.122  -6.114
  152   1HB   ALA  21          1HB       ALA  21  10.180  -0.020  -5.325
  153   2HB   ALA  21          2HB       ALA  21  10.416  -0.810  -6.885
  154   3HB   ALA  21          3HB       ALA  21  11.033  -1.563  -5.414
  155    H    LYS  22           H        LYS  22  10.099  -3.782  -4.868
  156    HA   LYS  22           HA       LYS  22  10.112  -5.345  -7.210
  157   1HB   LYS  22          1HB       LYS  22  11.615  -5.694  -5.268
  158   2HB   LYS  22          2HB       LYS  22  10.243  -6.279  -4.337
  159   1HG   LYS  22          1HG       LYS  22   9.965  -8.073  -6.071
  160   2HG   LYS  22          2HG       LYS  22  11.506  -7.552  -6.751
  161   1HD   LYS  22          1HD       LYS  22  11.948  -9.390  -5.304
  162   2HD   LYS  22          2HD       LYS  22  12.527  -7.932  -4.496
  163   1HE   LYS  22          1HE       LYS  22  11.383  -9.261  -2.871
  164   2HE   LYS  22          2HE       LYS  22  10.367  -7.867  -3.236
  165   1HZ   LYS  22          1HZ       LYS  22   9.025  -9.837  -3.154
  166   2HZ   LYS  22          2HZ       LYS  22  10.023 -10.638  -4.263
  167   3HZ   LYS  22          3HZ       LYS  22   9.093  -9.314  -4.766
  168    H    GLN  23           H        GLN  23   7.943  -5.309  -4.416
  169    HA   GLN  23           HA       GLN  23   6.567  -7.678  -5.075
  170   1HB   GLN  23          1HB       GLN  23   5.800  -5.387  -3.268
  171   2HB   GLN  23          2HB       GLN  23   4.927  -6.915  -3.357
  172   1HG   GLN  23          1HG       GLN  23   6.876  -8.119  -2.608
  173   2HG   GLN  23          2HG       GLN  23   7.830  -6.637  -2.621
  174   1HE2  GLN  23          1HE2      GLN  23   8.331  -6.844  -0.435
  175   2HE2  GLN  23          2HE2      GLN  23   7.158  -6.544   0.808
  176    H    THR  24           H        THR  24   5.839  -4.279  -5.822
  177    HA   THR  24           HA       THR  24   3.540  -5.258  -7.383
  178    HB   THR  24           HB       THR  24   2.912  -2.752  -7.417
  179    HG1  THR  24           HG1      THR  24   4.613  -1.709  -6.540
  180   1HG2  THR  24          1HG2      THR  24   1.763  -2.947  -5.254
  181   2HG2  THR  24          2HG2      THR  24   2.786  -4.325  -4.840
  182   3HG2  THR  24          3HG2      THR  24   1.654  -4.441  -6.187
  183    H    ASP  25           H        ASP  25   6.497  -5.070  -8.030
  184    HA   ASP  25           HA       ASP  25   7.941  -4.335  -9.620
  185   1HB   ASP  25          1HB       ASP  25   7.218  -4.850 -11.919
  186   2HB   ASP  25          2HB       ASP  25   6.828  -6.131 -10.784
  187    H    THR  26           H        THR  26   6.794  -2.158  -8.406
  188    HA   THR  26           HA       THR  26   6.120  -0.278 -10.548
  189    HB   THR  26           HB       THR  26   5.720   1.228  -8.435
  190    HG1  THR  26           HG1      THR  26   6.458  -0.057  -6.808
  191   1HG2  THR  26          1HG2      THR  26   3.950   0.482  -9.949
  192   2HG2  THR  26          2HG2      THR  26   3.419   0.394  -8.269
  193   3HG2  THR  26          3HG2      THR  26   3.891  -1.075  -9.124
  194    H    GLN  27           H        GLN  27   7.011   1.945 -10.293
  195    HA   GLN  27           HA       GLN  27   9.847   1.851  -9.525
  196   1HB   GLN  27          1HB       GLN  27   8.367   3.111 -11.735
  197   2HB   GLN  27          2HB       GLN  27   9.559   4.158 -10.974
  198   1HG   GLN  27          1HG       GLN  27  10.172   1.390 -11.976
  199   2HG   GLN  27          2HG       GLN  27  10.379   2.853 -12.942
  200   1HE2  GLN  27          1HE2      GLN  27  12.346   0.896 -11.966
  201   2HE2  GLN  27          2HE2      GLN  27  13.510   1.814 -11.073
  202    H    LEU  28           H        LEU  28  10.391   2.882  -7.717
  203    HA   LEU  28           HA       LEU  28   8.566   4.984  -6.758
  204   1HB   LEU  28          1HB       LEU  28  10.063   2.870  -5.239
  205   2HB   LEU  28          2HB       LEU  28   9.574   4.359  -4.456
  206    HG   LEU  28           HG       LEU  28   7.197   3.793  -5.203
  207   1HD1  LEU  28          1HD1      LEU  28   7.768   2.093  -6.859
  208   2HD1  LEU  28          2HD1      LEU  28   6.719   1.442  -5.599
  209   3HD1  LEU  28          3HD1      LEU  28   8.446   1.078  -5.584
  210   1HD2  LEU  28          1HD2      LEU  28   6.846   2.333  -3.290
  211   2HD2  LEU  28          2HD2      LEU  28   7.984   3.624  -2.902
  212   3HD2  LEU  28          3HD2      LEU  28   8.576   1.994  -3.220
  213    H    LEU  29           H        LEU  29   9.371   6.908  -6.362
  214    HA   LEU  29           HA       LEU  29  12.287   7.250  -6.489
  215   1HB   LEU  29          1HB       LEU  29  10.005   9.094  -7.166
  216   2HB   LEU  29          2HB       LEU  29  11.623   9.701  -6.899
  217    HG   LEU  29           HG       LEU  29  11.314   9.519  -9.246
  218   1HD1  LEU  29          1HD1      LEU  29  13.504   8.845  -8.457
  219   2HD1  LEU  29          2HD1      LEU  29  13.043   7.917  -9.887
  220   3HD1  LEU  29          3HD1      LEU  29  12.949   7.178  -8.287
  221   1HD2  LEU  29          1HD2      LEU  29  10.455   6.667  -8.786
  222   2HD2  LEU  29          2HD2      LEU  29  10.696   7.427 -10.359
  223   3HD2  LEU  29          3HD2      LEU  29   9.420   8.004  -9.288
  224    H    TYR  30           H        TYR  30  13.234   7.582  -4.615
  225    HA   TYR  30           HA       TYR  30  12.064   9.328  -2.640
  226   1HB   TYR  30          1HB       TYR  30  12.199   7.698  -0.804
  227   2HB   TYR  30          2HB       TYR  30  11.053   7.174  -2.030
  228    HD1  TYR  30           HD1      TYR  30  11.601   5.267  -3.501
  229    HD2  TYR  30           HD2      TYR  30  14.193   6.449  -0.344
  230    HE1  TYR  30           HE1      TYR  30  12.756   3.101  -3.649
  231    HE2  TYR  30           HE2      TYR  30  15.357   4.289  -0.480
  232    HH   TYR  30           HH       TYR  30  15.059   2.069  -1.282
  233    H    SER  31           H        SER  31  13.586  10.245  -1.323
  234    HA   SER  31           HA       SER  31  16.378   9.541  -1.929
  235   1HB   SER  31          1HB       SER  31  15.780  11.835  -2.550
  236   2HB   SER  31          2HB       SER  31  15.184  12.137  -0.918
  237    HG   SER  31           HG       SER  31  17.611  12.526  -1.796
  238    HA   PRO  32           HA       PRO  32  16.632   7.959   2.254
  239   1HB   PRO  32          1HB       PRO  32  19.531   8.360   1.734
  240   2HB   PRO  32          2HB       PRO  32  18.672   6.912   2.273
  241   1HG   PRO  32          1HG       PRO  32  19.577   7.101  -0.224
  242   2HG   PRO  32          2HG       PRO  32  18.012   6.341   0.122
  243   1HD   PRO  32          1HD       PRO  32  18.596   9.073  -0.959
  244   2HD   PRO  32          2HD       PRO  32  17.313   7.930  -1.413
  245    H    GLU  33           H        GLU  33  18.235  10.821   1.031
  246    HA   GLU  33           HA       GLU  33  18.911  11.935   3.579
  247   1HB   GLU  33          1HB       GLU  33  18.473  13.360   0.949
  248   2HB   GLU  33          2HB       GLU  33  19.280  14.020   2.361
  249   1HG   GLU  33          1HG       GLU  33  21.049  12.334   2.110
  250   2HG   GLU  33          2HG       GLU  33  20.246  11.737   0.656
  251    H    ASP  34           H        ASP  34  16.135  11.950   1.486
  252    HA   ASP  34           HA       ASP  34  14.891  14.217   2.747
  253   1HB   ASP  34          1HB       ASP  34  14.604  13.743   0.333
  254   2HB   ASP  34          2HB       ASP  34  13.750  12.259   0.742
  255    H    ILE  35           H        ILE  35  14.777  10.745   3.067
  256    HA   ILE  35           HA       ILE  35  12.468  10.900   4.840
  257    HB   ILE  35           HB       ILE  35  12.825   8.408   5.076
  258   1HG1  ILE  35          1HG1      ILE  35  14.798   8.881   2.832
  259   2HG1  ILE  35          2HG1      ILE  35  15.208   8.383   4.469
  260   1HG2  ILE  35          1HG2      ILE  35  12.379   9.449   2.282
  261   2HG2  ILE  35          2HG2      ILE  35  11.165   9.360   3.560
  262   3HG2  ILE  35          3HG2      ILE  35  11.864   7.878   2.906
  263   1HD1  ILE  35          1HD1      ILE  35  13.516   6.781   2.565
  264   2HD1  ILE  35          2HD1      ILE  35  14.088   6.281   4.157
  265   3HD1  ILE  35          3HD1      ILE  35  15.238   6.536   2.846
  266    H    GLY  36           H        GLY  36  15.904  10.840   5.008
  267   1HA   GLY  36          1HA       GLY  36  17.251  11.282   6.820
  268   2HA   GLY  36          2HA       GLY  36  15.804  11.401   7.807
  269    H    GLY  37           H        GLY  37  15.757   8.485   6.205
  270   1HA   GLY  37          1HA       GLY  37  16.432   6.335   6.785
  271   2HA   GLY  37          2HA       GLY  37  17.420   7.022   8.067
  272    H    LEU  38           H        LEU  38  13.988   7.620   7.583
  273    HA   LEU  38           HA       LEU  38  13.418   6.905  10.310
  274   1HB   LEU  38          1HB       LEU  38  11.637   7.729   8.016
  275   2HB   LEU  38          2HB       LEU  38  11.040   7.380   9.625
  276    HG   LEU  38           HG       LEU  38  12.992   9.582   8.949
  277   1HD1  LEU  38          1HD1      LEU  38  10.768  10.006   8.027
  278   2HD1  LEU  38          2HD1      LEU  38  11.120  11.089   9.375
  279   3HD1  LEU  38          3HD1      LEU  38  10.052   9.705   9.609
  280   1HD2  LEU  38          1HD2      LEU  38  12.546  10.335  11.236
  281   2HD2  LEU  38          2HD2      LEU  38  13.271   8.727  11.211
  282   3HD2  LEU  38          3HD2      LEU  38  11.540   8.911  11.504
  283    H    ARG  39           H        ARG  39  12.260   5.135  11.044
  284    HA   ARG  39           HA       ARG  39  12.164   2.882   9.201
  285   1HB   ARG  39          1HB       ARG  39  11.691   1.511  11.180
  286   2HB   ARG  39          2HB       ARG  39  13.151   2.464  11.381
  287   1HG   ARG  39          1HG       ARG  39  11.907   4.066  12.754
  288   2HG   ARG  39          2HG       ARG  39  10.450   3.087  12.555
  289   1HD   ARG  39          1HD       ARG  39  11.643   1.183  13.593
  290   2HD   ARG  39          2HD       ARG  39  13.024   2.239  13.874
  291    HE   ARG  39           HE       ARG  39  10.621   3.305  14.989
  292   1HH1  ARG  39          1HH1      ARG  39  13.250   1.060  15.521
  293   2HH1  ARG  39          2HH1      ARG  39  12.993   0.957  17.239
  294   1HH2  ARG  39          1HH2      ARG  39  10.307   3.235  17.256
  295   2HH2  ARG  39          2HH2      ARG  39  11.345   2.228  18.236
  296    H    SER  40           H        SER  40  10.378   1.872   8.541
  297    HA   SER  40           HA       SER  40   7.915   3.389   8.722
  298   1HB   SER  40          1HB       SER  40   7.213   1.595   7.001
  299   2HB   SER  40          2HB       SER  40   8.455   2.755   6.524
  300    HG   SER  40           HG       SER  40   8.661   0.024   7.041
  301    H    SER  41           H        SER  41   5.870   2.336   9.072
  302    HA   SER  41           HA       SER  41   5.949   0.428  11.245
  303   1HB   SER  41          1HB       SER  41   3.598   1.752   9.865
  304   2HB   SER  41          2HB       SER  41   3.537   0.855  11.382
  305    HG   SER  41           HG       SER  41   5.191   3.130  11.001
  306    H    ALA  42           H        ALA  42   5.423  -1.670  11.125
  307    HA   ALA  42           HA       ALA  42   5.747  -3.010   8.707
  308   1HB   ALA  42          1HB       ALA  42   6.238  -4.006  10.881
  309   2HB   ALA  42          2HB       ALA  42   5.164  -5.029   9.925
  310   3HB   ALA  42          3HB       ALA  42   4.512  -4.060  11.248
  311    H    LEU  43           H        LEU  43   4.407  -2.735   7.066
  312    HA   LEU  43           HA       LEU  43   1.557  -3.321   7.505
  313   1HB   LEU  43          1HB       LEU  43   2.296  -0.995   6.587
  314   2HB   LEU  43          2HB       LEU  43   2.630  -1.858   5.099
  315    HG   LEU  43           HG       LEU  43  -0.081  -1.795   6.435
  316   1HD1  LEU  43          1HD1      LEU  43   0.928  -0.174   4.103
  317   2HD1  LEU  43          2HD1      LEU  43   0.620   0.444   5.725
  318   3HD1  LEU  43          3HD1      LEU  43  -0.712  -0.171   4.746
  319   1HD2  LEU  43          1HD2      LEU  43  -0.896  -2.604   4.283
  320   2HD2  LEU  43          2HD2      LEU  43   0.283  -3.725   4.970
  321   3HD2  LEU  43          3HD2      LEU  43   0.754  -2.641   3.660
  322    H    LYS  44           H        LYS  44   1.697  -5.515   7.261
  323    HA   LYS  44           HA       LYS  44   2.513  -6.432   4.601
  324   1HB   LYS  44          1HB       LYS  44   3.442  -8.491   5.679
  325   2HB   LYS  44          2HB       LYS  44   4.337  -7.013   6.017
  326   1HG   LYS  44          1HG       LYS  44   3.187  -6.869   8.202
  327   2HG   LYS  44          2HG       LYS  44   2.419  -8.422   7.865
  328   1HD   LYS  44          1HD       LYS  44   4.650  -9.451   7.673
  329   2HD   LYS  44          2HD       LYS  44   5.382  -7.899   8.085
  330   1HE   LYS  44          1HE       LYS  44   5.304  -9.235  10.069
  331   2HE   LYS  44          2HE       LYS  44   4.118  -7.940  10.224
  332   1HZ   LYS  44          1HZ       LYS  44   3.082  -9.906  10.968
  333   2HZ   LYS  44          2HZ       LYS  44   3.613 -10.799   9.625
  334   3HZ   LYS  44          3HZ       LYS  44   2.431  -9.600   9.432
  335    H    GLY  45           H        GLY  45   0.952  -7.417   3.587
  336   1HA   GLY  45          1HA       GLY  45  -0.652  -9.468   4.539
  337   2HA   GLY  45          2HA       GLY  45  -1.552  -7.978   4.803
  338    H    ARG  46           H        ARG  46  -3.094  -8.927   3.281
  339    HA   ARG  46           HA       ARG  46  -2.152  -8.955   0.497
  340   1HB   ARG  46          1HB       ARG  46  -3.330 -10.979   1.264
  341   2HB   ARG  46          2HB       ARG  46  -4.743 -10.006   1.650
  342   1HG   ARG  46          1HG       ARG  46  -4.996  -9.405  -0.689
  343   2HG   ARG  46          2HG       ARG  46  -3.554 -10.339  -1.094
  344   1HD   ARG  46          1HD       ARG  46  -4.654 -12.377  -0.323
  345   2HD   ARG  46          2HD       ARG  46  -6.092 -11.445   0.098
  346    HE   ARG  46           HE       ARG  46  -6.002 -10.837  -2.421
  347   1HH1  ARG  46          1HH1      ARG  46  -5.265 -13.963  -1.006
  348   2HH1  ARG  46          2HH1      ARG  46  -5.623 -14.841  -2.469
  349   1HH2  ARG  46          1HH2      ARG  46  -6.480 -11.960  -4.297
  350   2HH2  ARG  46          2HH2      ARG  46  -6.335 -13.696  -4.348
  351    H    HIS  47           H        HIS  47  -2.186  -6.886  -0.164
  352    HA   HIS  47           HA       HIS  47  -4.776  -5.493  -0.146
  353   1HB   HIS  47          1HB       HIS  47  -2.127  -4.289   0.696
  354   2HB   HIS  47          2HB       HIS  47  -3.552  -3.337   0.306
  355    HD1  HIS  47           HD1      HIS  47  -5.306  -3.060   2.118
  356    HD2  HIS  47           HD2      HIS  47  -2.337  -5.802   3.119
  357    HE1  HIS  47           HE1      HIS  47  -5.611  -3.529   4.565
  358    HE2  HIS  47           HE2      HIS  47  -3.944  -5.339   5.094
  359    H    ASP  48           H        ASP  48  -4.642  -3.532  -1.660
  360    HA   ASP  48           HA       ASP  48  -3.080  -4.217  -4.034
  361   1HB   ASP  48          1HB       ASP  48  -4.429  -2.532  -5.195
  362   2HB   ASP  48          2HB       ASP  48  -5.476  -3.665  -4.343
  363    H    LEU  49           H        LEU  49  -2.193  -2.135  -5.193
  364    HA   LEU  49           HA       LEU  49  -0.101  -1.167  -3.605
  365   1HB   LEU  49          1HB       LEU  49   0.036  -1.348  -6.032
  366   2HB   LEU  49          2HB       LEU  49  -1.177  -0.092  -6.209
  367    HG   LEU  49           HG       LEU  49   0.393   1.513  -5.126
  368   1HD1  LEU  49          1HD1      LEU  49   1.725  -0.100  -3.870
  369   2HD1  LEU  49          2HD1      LEU  49   2.740   0.904  -4.904
  370   3HD1  LEU  49          3HD1      LEU  49   2.366  -0.752  -5.379
  371   1HD2  LEU  49          1HD2      LEU  49   1.429   0.117  -7.594
  372   2HD2  LEU  49          2HD2      LEU  49   1.875   1.738  -7.062
  373   3HD2  LEU  49          3HD2      LEU  49   0.216   1.397  -7.551
  374    H    GLN  50           H        GLN  50  -2.933   0.601  -4.853
  375    HA   GLN  50           HA       GLN  50  -2.287   3.084  -3.789
  376   1HB   GLN  50          1HB       GLN  50  -4.954   1.891  -4.526
  377   2HB   GLN  50          2HB       GLN  50  -4.769   3.561  -4.016
  378   1HG   GLN  50          1HG       GLN  50  -4.833   3.588  -6.365
  379   2HG   GLN  50          2HG       GLN  50  -3.154   3.855  -5.915
  380   1HE2  GLN  50          1HE2      GLN  50  -5.437   1.620  -7.280
  381   2HE2  GLN  50          2HE2      GLN  50  -4.270   0.567  -8.014
  382    H    SER  51           H        SER  51  -4.436   0.593  -2.430
  383    HA   SER  51           HA       SER  51  -5.233   2.084  -0.182
  384   1HB   SER  51          1HB       SER  51  -5.026  -0.918  -0.463
  385   2HB   SER  51          2HB       SER  51  -5.955  -0.060   0.768
  386    HG   SER  51           HG       SER  51  -6.555  -0.570  -1.857
  387    H    SER  52           H        SER  52  -2.505  -0.127  -0.617
  388    HA   SER  52           HA       SER  52  -1.611  -0.141   2.033
  389   1HB   SER  52          1HB       SER  52   0.042  -0.354  -0.492
  390   2HB   SER  52          2HB       SER  52   0.535  -0.881   1.120
  391    HG   SER  52           HG       SER  52  -1.267  -2.033  -0.666
  392    H    LEU  53           H        LEU  53  -0.912   2.087  -0.629
  393    HA   LEU  53           HA       LEU  53   1.006   3.654   0.711
  394   1HB   LEU  53          1HB       LEU  53  -0.937   4.421  -1.470
  395   2HB   LEU  53          2HB       LEU  53   0.414   5.410  -0.948
  396    HG   LEU  53           HG       LEU  53   0.634   2.674  -2.203
  397   1HD1  LEU  53          1HD1      LEU  53  -0.102   4.324  -3.812
  398   2HD1  LEU  53          2HD1      LEU  53   1.586   3.906  -4.110
  399   3HD1  LEU  53          3HD1      LEU  53   1.181   5.424  -3.311
  400   1HD2  LEU  53          1HD2      LEU  53   2.757   4.663  -1.408
  401   2HD2  LEU  53          2HD2      LEU  53   3.032   3.164  -2.297
  402   3HD2  LEU  53          3HD2      LEU  53   2.443   3.109  -0.635
  403    H    ARG  54           H        ARG  54  -2.498   3.707   0.703
  404    HA   ARG  54           HA       ARG  54  -2.929   6.209   1.888
  405   1HB   ARG  54          1HB       ARG  54  -4.544   3.664   2.146
  406   2HB   ARG  54          2HB       ARG  54  -5.098   5.254   2.649
  407   1HG   ARG  54          1HG       ARG  54  -4.365   4.483  -0.167
  408   2HG   ARG  54          2HG       ARG  54  -6.005   4.578   0.474
  409   1HD   ARG  54          1HD       ARG  54  -4.037   6.855   0.283
  410   2HD   ARG  54          2HD       ARG  54  -5.416   6.588  -0.783
  411    HE   ARG  54           HE       ARG  54  -6.348   6.686   1.858
  412   1HH1  ARG  54          1HH1      ARG  54  -4.894   8.809  -0.519
  413   2HH1  ARG  54          2HH1      ARG  54  -5.682  10.230   0.086
  414   1HH2  ARG  54          1HH2      ARG  54  -7.347   8.543   2.675
  415   2HH2  ARG  54          2HH2      ARG  54  -7.060  10.088   1.928
  416    H    ILE  55           H        ILE  55  -2.561   3.010   3.393
  417    HA   ILE  55           HA       ILE  55  -2.842   4.108   6.041
  418    HB   ILE  55           HB       ILE  55  -2.031   1.311   5.232
  419   1HG1  ILE  55          1HG1      ILE  55  -4.770   2.415   5.906
  420   2HG1  ILE  55          2HG1      ILE  55  -4.221   1.978   4.292
  421   1HG2  ILE  55          1HG2      ILE  55  -1.475   1.856   7.543
  422   2HG2  ILE  55          2HG2      ILE  55  -2.793   0.686   7.471
  423   3HG2  ILE  55          3HG2      ILE  55  -3.134   2.379   7.828
  424   1HD1  ILE  55          1HD1      ILE  55  -3.999  -0.344   4.994
  425   2HD1  ILE  55          2HD1      ILE  55  -5.638   0.255   5.252
  426   3HD1  ILE  55          3HD1      ILE  55  -4.532   0.094   6.616
  427    H    LEU  56           H        LEU  56  -0.209   3.161   3.943
  428    HA   LEU  56           HA       LEU  56   1.751   2.796   5.945
  429   1HB   LEU  56          1HB       LEU  56   1.711   2.148   3.403
  430   2HB   LEU  56          2HB       LEU  56   2.446   3.724   3.184
  431    HG   LEU  56           HG       LEU  56   3.619   1.607   4.990
  432   1HD1  LEU  56          1HD1      LEU  56   5.172   1.117   3.169
  433   2HD1  LEU  56          2HD1      LEU  56   4.277   2.207   2.111
  434   3HD1  LEU  56          3HD1      LEU  56   3.509   0.742   2.721
  435   1HD2  LEU  56          1HD2      LEU  56   4.808   4.089   3.747
  436   2HD2  LEU  56          2HD2      LEU  56   5.665   2.921   4.752
  437   3HD2  LEU  56          3HD2      LEU  56   4.365   3.891   5.444
  438    H    LEU  57           H        LEU  57   0.920   5.617   3.940
  439    HA   LEU  57           HA       LEU  57   2.968   7.187   5.260
  440   1HB   LEU  57          1HB       LEU  57   0.991   7.879   3.093
  441   2HB   LEU  57          2HB       LEU  57   2.102   9.041   3.788
  442    HG   LEU  57           HG       LEU  57   3.093   8.357   1.762
  443   1HD1  LEU  57          1HD1      LEU  57   5.141   7.264   2.414
  444   2HD1  LEU  57          2HD1      LEU  57   4.390   6.673   3.894
  445   3HD1  LEU  57          3HD1      LEU  57   4.645   8.403   3.666
  446   1HD2  LEU  57          1HD2      LEU  57   3.433   6.036   1.105
  447   2HD2  LEU  57          2HD2      LEU  57   1.720   6.390   1.327
  448   3HD2  LEU  57          3HD2      LEU  57   2.603   5.494   2.563
  449    H    GLN  58           H        GLN  58  -0.373   6.571   5.578
  450    HA   GLN  58           HA       GLN  58  -1.410   8.754   6.864
  451   1HB   GLN  58          1HB       GLN  58  -2.672   6.705   6.394
  452   2HB   GLN  58          2HB       GLN  58  -1.773   5.859   7.644
  453   1HG   GLN  58          1HG       GLN  58  -2.698   7.465   9.304
  454   2HG   GLN  58          2HG       GLN  58  -3.707   8.132   8.020
  455   1HE2  GLN  58          1HE2      GLN  58  -5.396   6.890   7.184
  456   2HE2  GLN  58          2HE2      GLN  58  -6.006   5.508   8.027
  457    H    GLY  59           H        GLY  59  -0.102   9.949   8.219
  458   1HA   GLY  59          1HA       GLY  59   0.008  10.307  10.627
  459   2HA   GLY  59          2HA       GLY  59   0.486   8.626  10.789
  460    H    THR  60           H        THR  60   2.268   9.203   8.281
  461    HA   THR  60           HA       THR  60   4.548   9.924   9.952
  462    HB   THR  60           HB       THR  60   5.907   9.193   7.961
  463    HG1  THR  60           HG1      THR  60   4.049   7.708   6.769
  464   1HG2  THR  60          1HG2      THR  60   3.952   7.211   9.130
  465   2HG2  THR  60          2HG2      THR  60   5.501   7.691   9.825
  466   3HG2  THR  60          3HG2      THR  60   5.455   6.795   8.306
  467    H    GLY  61           H        GLY  61   2.440  11.599   8.085
  468   1HA   GLY  61          1HA       GLY  61   2.468  13.696   7.179
  469   2HA   GLY  61          2HA       GLY  61   4.001  13.930   8.001
  470    H    LEU  62           H        LEU  62   3.816  11.331   5.718
  471    HA   LEU  62           HA       LEU  62   5.675  12.797   4.025
  472   1HB   LEU  62          1HB       LEU  62   4.824   9.903   3.896
  473   2HB   LEU  62          2HB       LEU  62   6.121  10.639   2.975
  474    HG   LEU  62           HG       LEU  62   6.053  10.181   5.957
  475   1HD1  LEU  62          1HD1      LEU  62   6.531   8.191   4.646
  476   2HD1  LEU  62          2HD1      LEU  62   7.971   8.737   5.507
  477   3HD1  LEU  62          3HD1      LEU  62   7.803   9.053   3.779
  478   1HD2  LEU  62          1HD2      LEU  62   8.296  11.122   6.002
  479   2HD2  LEU  62          2HD2      LEU  62   7.117  12.316   5.458
  480   3HD2  LEU  62          3HD2      LEU  62   8.173  11.522   4.289
  481    H    ARG  63           H        ARG  63   5.430  12.843   1.733
  482    HA   ARG  63           HA       ARG  63   2.603  12.832   0.890
  483   1HB   ARG  63          1HB       ARG  63   3.762  15.056   0.973
  484   2HB   ARG  63          2HB       ARG  63   4.890  14.463  -0.236
  485   1HG   ARG  63          1HG       ARG  63   3.288  15.772  -1.372
  486   2HG   ARG  63          2HG       ARG  63   2.919  14.085  -1.739
  487   1HD   ARG  63          1HD       ARG  63   1.162  14.092  -0.055
  488   2HD   ARG  63          2HD       ARG  63   1.547  15.763   0.353
  489    HE   ARG  63           HE       ARG  63   1.007  15.715  -2.369
  490   1HH1  ARG  63          1HH1      ARG  63  -0.696  15.024   0.611
  491   2HH1  ARG  63          2HH1      ARG  63  -2.251  15.454  -0.024
  492   1HH2  ARG  63          1HH2      ARG  63  -1.056  16.295  -3.209
  493   2HH2  ARG  63          2HH2      ARG  63  -2.457  16.184  -2.180
  494    H    TYR  64           H        TYR  64   2.077  11.398  -0.629
  495    HA   TYR  64           HA       TYR  64   4.269  10.246  -2.227
  496   1HB   TYR  64          1HB       TYR  64   2.864   8.204  -2.462
  497   2HB   TYR  64          2HB       TYR  64   3.342   8.539  -0.805
  498    HD1  TYR  64           HD1      TYR  64   1.669   9.341   0.827
  499    HD2  TYR  64           HD2      TYR  64   0.551   8.220  -3.123
  500    HE1  TYR  64           HE1      TYR  64  -0.678   9.190   1.538
  501    HE2  TYR  64           HE2      TYR  64  -1.800   8.073  -2.420
  502    HH   TYR  64           HH       TYR  64  -2.893   9.288   0.580
  503    H    GLN  65           H        GLN  65   4.290  10.731  -4.276
  504    HA   GLN  65           HA       GLN  65   1.801  11.523  -5.616
  505   1HB   GLN  65          1HB       GLN  65   4.668  11.700  -6.583
  506   2HB   GLN  65          2HB       GLN  65   3.264  12.266  -7.469
  507   1HG   GLN  65          1HG       GLN  65   4.095  14.214  -6.580
  508   2HG   GLN  65          2HG       GLN  65   2.866  13.769  -5.402
  509   1HE2  GLN  65          1HE2      GLN  65   3.477  13.176  -3.357
  510   2HE2  GLN  65          2HE2      GLN  65   5.093  13.330  -2.766
  511    H    ILE  66           H        ILE  66   0.732   9.805  -6.394
  512    HA   ILE  66           HA       ILE  66   2.305   7.651  -7.627
  513    HB   ILE  66           HB       ILE  66   1.024   6.774  -5.803
  514   1HG1  ILE  66          1HG1      ILE  66  -0.354   6.102  -8.414
  515   2HG1  ILE  66          2HG1      ILE  66   1.151   5.394  -7.841
  516   1HG2  ILE  66          1HG2      ILE  66  -1.378   8.073  -7.073
  517   2HG2  ILE  66          2HG2      ILE  66  -0.627   8.502  -5.536
  518   3HG2  ILE  66          3HG2      ILE  66  -1.438   6.947  -5.718
  519   1HD1  ILE  66          1HD1      ILE  66  -1.540   5.129  -6.523
  520   2HD1  ILE  66          2HD1      ILE  66  -0.031   4.425  -5.939
  521   3HD1  ILE  66          3HD1      ILE  66  -0.714   3.896  -7.477
  522    H    ASP  67           H        ASP  67   2.217   7.427  -9.733
  523    HA   ASP  67           HA       ASP  67  -0.223   8.070 -11.191
  524   1HB   ASP  67          1HB       ASP  67   1.007  10.147 -11.375
  525   2HB   ASP  67          2HB       ASP  67   2.468   9.288 -11.847
  526    H    GLY  68           H        GLY  68  -0.668   6.462 -12.526
  527   1HA   GLY  68          1HA       GLY  68  -0.437   4.524 -13.737
  528   2HA   GLY  68          2HA       GLY  68   1.158   5.121 -14.172
  529    H    ASN  69           H        ASN  69   2.874   4.069 -13.444
  530    HA   ASN  69           HA       ASN  69   2.519   2.202 -11.185
  531   1HB   ASN  69          1HB       ASN  69   4.075   0.658 -12.236
  532   2HB   ASN  69          2HB       ASN  69   2.758   1.007 -13.352
  533   1HD2  ASN  69          1HD2      ASN  69   5.364  -0.008 -13.990
  534   2HD2  ASN  69          2HD2      ASN  69   6.104   1.146 -15.054
  535    H    THR  70           H        THR  70   3.532   5.040 -11.568
  536    HA   THR  70           HA       THR  70   6.200   4.671 -10.374
  537    HB   THR  70           HB       THR  70   5.128   7.123 -11.789
  538    HG1  THR  70           HG1      THR  70   5.961   4.857 -12.832
  539   1HG2  THR  70          1HG2      THR  70   7.915   6.420 -10.850
  540   2HG2  THR  70          2HG2      THR  70   6.853   7.629 -10.127
  541   3HG2  THR  70          3HG2      THR  70   7.471   7.863 -11.762
  542    H    VAL  71           H        VAL  71   6.539   5.420  -8.366
  543    HA   VAL  71           HA       VAL  71   4.489   7.147  -7.138
  544    HB   VAL  71           HB       VAL  71   5.840   4.815  -5.753
  545   1HG1  VAL  71          1HG1      VAL  71   3.695   6.715  -4.818
  546   2HG1  VAL  71          2HG1      VAL  71   5.356   6.641  -4.236
  547   3HG1  VAL  71          3HG1      VAL  71   4.255   5.297  -3.934
  548   1HG2  VAL  71          1HG2      VAL  71   2.992   5.097  -6.710
  549   2HG2  VAL  71          2HG2      VAL  71   3.615   3.773  -5.726
  550   3HG2  VAL  71          3HG2      VAL  71   4.213   4.008  -7.368
  551    H    THR  72           H        THR  72   5.327   8.897  -6.183
  552    HA   THR  72           HA       THR  72   8.215   8.905  -5.575
  553    HB   THR  72           HB       THR  72   6.488  11.315  -6.191
  554    HG1  THR  72           HG1      THR  72   7.066   9.573  -7.907
  555   1HG2  THR  72          1HG2      THR  72   8.491  11.791  -4.848
  556   2HG2  THR  72          2HG2      THR  72   8.636  12.463  -6.472
  557   3HG2  THR  72          3HG2      THR  72   9.493  10.979  -6.052
  558    H    VAL  73           H        VAL  73   8.680   8.963  -3.472
  559    HA   VAL  73           HA       VAL  73   6.583   9.917  -1.626
  560    HB   VAL  73           HB       VAL  73   8.738   7.871  -1.050
  561   1HG1  VAL  73          1HG1      VAL  73   7.458   7.464   1.014
  562   2HG1  VAL  73          2HG1      VAL  73   6.379   8.793   0.591
  563   3HG1  VAL  73          3HG1      VAL  73   8.080   9.114   0.931
  564   1HG2  VAL  73          1HG2      VAL  73   6.938   6.221  -1.054
  565   2HG2  VAL  73          2HG2      VAL  73   7.079   7.010  -2.625
  566   3HG2  VAL  73          3HG2      VAL  73   5.784   7.471  -1.521
  567    H    THR  74           H        THR  74   7.078  11.835  -0.839
  568    HA   THR  74           HA       THR  74   9.842  12.317   0.049
  569    HB   THR  74           HB       THR  74   9.509  13.478  -2.102
  570    HG1  THR  74           HG1      THR  74  10.691  14.415  -0.156
  571   1HG2  THR  74          1HG2      THR  74   7.327  14.986  -0.658
  572   2HG2  THR  74          2HG2      THR  74   7.095  13.836  -1.976
  573   3HG2  THR  74          3HG2      THR  74   7.945  15.355  -2.268
  574    H    ALA  75           H        ALA  75  10.060  13.722   1.844
  575    HA   ALA  75           HA       ALA  75   7.807  13.647   3.634
  576   1HB   ALA  75          1HB       ALA  75  10.051  13.130   4.449
  577   2HB   ALA  75          2HB       ALA  75   9.379  14.522   5.296
  578   3HB   ALA  75          3HB       ALA  75  10.587  14.759   4.033
  579    H    SER  76           H        SER  76   6.272  15.154   3.451
  580    HA   SER  76           HA       SER  76   6.882  17.757   2.329
  581   1HB   SER  76          1HB       SER  76   4.865  16.499   1.617
  582   2HB   SER  76          2HB       SER  76   4.233  16.617   3.259
  583    HG   SER  76           HG       SER  76   4.105  18.411   1.256
  584    H    ALA  77           H        ALA  77   7.305  19.498   3.508
  585    HA   ALA  77           HA       ALA  77   7.057  19.426   6.385
  586   1HB   ALA  77          1HB       ALA  77   8.148  21.611   6.331
  587   2HB   ALA  77          2HB       ALA  77   7.984  21.661   4.576
  588   3HB   ALA  77          3HB       ALA  77   9.024  20.451   5.330
  589    H    ALA  78           H        ALA  78   5.522  20.395   7.598
  590    HA   ALA  78           HA       ALA  78   3.211  21.426   6.147
  591   1HB   ALA  78          1HB       ALA  78   2.012  21.183   8.246
  592   2HB   ALA  78          2HB       ALA  78   3.514  20.781   9.076
  593   3HB   ALA  78          3HB       ALA  78   2.869  19.697   7.845
  594    H    ALA  79           H        ALA  79   2.102  23.365   6.862
  595    HA   ALA  79           HA       ALA  79   3.689  25.631   6.982
  596   1HB   ALA  79          1HB       ALA  79   1.659  26.849   7.612
  597   2HB   ALA  79          2HB       ALA  79   0.858  25.322   7.990
  598   3HB   ALA  79          3HB       ALA  79   1.337  25.682   6.330
  599    H    LYS  80           H        LYS  80   1.776  24.316   9.686
  600    HA   LYS  80           HA       LYS  80   3.601  25.626  11.559
  601   1HB   LYS  80          1HB       LYS  80   0.909  24.315  11.978
  602   2HB   LYS  80          2HB       LYS  80   1.896  24.973  13.277
  603   1HG   LYS  80          1HG       LYS  80   0.769  26.529  10.954
  604   2HG   LYS  80          2HG       LYS  80   0.149  26.533  12.607
  605   1HD   LYS  80          1HD       LYS  80   2.227  27.485  13.416
  606   2HD   LYS  80          2HD       LYS  80   2.925  27.400  11.800
  607   1HE   LYS  80          1HE       LYS  80   2.204  29.662  12.295
  608   2HE   LYS  80          2HE       LYS  80   1.230  28.977  10.995
  609   1HZ   LYS  80          1HZ       LYS  80  -0.054  30.215  12.691
  610   2HZ   LYS  80          2HZ       LYS  80   0.384  29.042  13.839
  611   3HZ   LYS  80          3HZ       LYS  80  -0.558  28.609  12.499
  612    H    ASP  81           H        ASP  81   4.887  24.501  12.939
  613    HA   ASP  81           HA       ASP  81   4.873  21.585  12.790
  614   1HB   ASP  81          1HB       ASP  81   6.239  22.270  10.883
  615   2HB   ASP  81          2HB       ASP  81   7.213  23.300  11.924
  616    H    GLY  82           H        GLY  82   5.140  20.829  14.765
  617   1HA   GLY  82          1HA       GLY  82   7.242  21.792  16.474
  618   2HA   GLY  82          2HA       GLY  82   5.633  22.184  17.072
  Start of MODEL   10
    1   1H    SER   1          1H        SER   1  -9.318  -4.550  -5.969
    2   2H    SER   1          2H        SER   1 -10.430  -3.907  -7.078
    3   3H    SER   1          3H        SER   1  -8.828  -4.188  -7.553
    4    HA   SER   1           HA       SER   1 -10.764  -6.266  -6.745
    5   1HB   SER   1          1HB       SER   1 -10.680  -6.907  -9.163
    6   2HB   SER   1          2HB       SER   1 -11.420  -5.334  -8.874
    7    HG   SER   1           HG       SER   1  -9.256  -5.953 -10.361
    8    H    GLN   2           H        GLN   2  -7.516  -5.371  -7.699
    9    HA   GLN   2           HA       GLN   2  -6.663  -8.157  -7.290
   10   1HB   GLN   2          1HB       GLN   2  -6.215  -7.213  -9.545
   11   2HB   GLN   2          2HB       GLN   2  -5.232  -5.962  -8.796
   12   1HG   GLN   2          1HG       GLN   2  -3.760  -7.728  -7.887
   13   2HG   GLN   2          2HG       GLN   2  -4.703  -8.922  -8.780
   14   1HE2  GLN   2          1HE2      GLN   2  -5.095  -7.062 -11.025
   15   2HE2  GLN   2          2HE2      GLN   2  -3.591  -7.036 -11.882
   16    H    GLU   3           H        GLU   3  -5.937  -8.404  -5.294
   17    HA   GLU   3           HA       GLU   3  -4.345  -6.256  -4.079
   18   1HB   GLU   3          1HB       GLU   3  -5.639  -8.680  -2.813
   19   2HB   GLU   3          2HB       GLU   3  -4.661  -7.501  -1.955
   20   1HG   GLU   3          1HG       GLU   3  -6.315  -5.760  -2.615
   21   2HG   GLU   3          2HG       GLU   3  -7.322  -7.049  -3.271
   22    H    TRP   4           H        TRP   4  -2.455  -7.000  -2.802
   23    HA   TRP   4           HA       TRP   4  -1.175  -9.372  -3.992
   24   1HB   TRP   4          1HB       TRP   4   0.104  -6.680  -3.430
   25   2HB   TRP   4          2HB       TRP   4   0.997  -8.132  -3.866
   26    HD1  TRP   4           HD1      TRP   4   0.832  -8.958  -6.417
   27    HE1  TRP   4           HE1      TRP   4   0.166  -7.716  -8.579
   28    HE3  TRP   4           HE3      TRP   4  -1.452  -4.876  -4.345
   29    HZ2  TRP   4           HZ2      TRP   4  -1.143  -5.329  -9.298
   30    HZ3  TRP   4           HZ3      TRP   4  -2.381  -3.162  -5.843
   31    HH2  TRP   4           HH2      TRP   4  -2.228  -3.384  -8.267
   32    H    THR   5           H        THR   5   0.260 -10.498  -2.604
   33    HA   THR   5           HA       THR   5  -0.325 -10.130   0.224
   34    HB   THR   5           HB       THR   5   1.386 -12.268  -1.071
   35    HG1  THR   5           HG1      THR   5  -0.424 -13.433  -1.381
   36   1HG2  THR   5          1HG2      THR   5   1.702 -12.036   1.341
   37   2HG2  THR   5          2HG2      THR   5   0.863 -13.541   0.967
   38   3HG2  THR   5          3HG2      THR   5  -0.039 -12.161   1.590
   39    H    LEU   6           H        LEU   6   0.848  -8.512   1.073
   40    HA   LEU   6           HA       LEU   6   3.594  -8.112   0.120
   41   1HB   LEU   6          1HB       LEU   6   1.788  -6.239   1.651
   42   2HB   LEU   6          2HB       LEU   6   3.359  -5.840   0.986
   43    HG   LEU   6           HG       LEU   6   0.934  -6.597  -0.645
   44   1HD1  LEU   6          1HD1      LEU   6   0.615  -4.456   0.430
   45   2HD1  LEU   6          2HD1      LEU   6   0.916  -4.226  -1.292
   46   3HD1  LEU   6          3HD1      LEU   6   2.200  -3.913  -0.122
   47   1HD2  LEU   6          1HD2      LEU   6   3.639  -5.554  -1.481
   48   2HD2  LEU   6          2HD2      LEU   6   2.266  -5.850  -2.550
   49   3HD2  LEU   6          3HD2      LEU   6   3.043  -7.198  -1.720
   50    H    ASP   7           H        ASP   7   5.306  -7.859   1.505
   51    HA   ASP   7           HA       ASP   7   4.827  -8.029   4.382
   52   1HB   ASP   7          1HB       ASP   7   5.427 -10.317   3.699
   53   2HB   ASP   7          2HB       ASP   7   6.876  -9.704   2.908
   54    H    ILE   8           H        ILE   8   5.582  -6.182   5.076
   55    HA   ILE   8           HA       ILE   8   7.802  -4.932   3.611
   56    HB   ILE   8           HB       ILE   8   5.315  -3.756   4.836
   57   1HG1  ILE   8          1HG1      ILE   8   6.449  -3.614   2.032
   58   2HG1  ILE   8          2HG1      ILE   8   5.209  -4.751   2.546
   59   1HG2  ILE   8          1HG2      ILE   8   7.702  -2.259   3.748
   60   2HG2  ILE   8          2HG2      ILE   8   7.183  -2.308   5.432
   61   3HG2  ILE   8          3HG2      ILE   8   6.162  -1.538   4.219
   62   1HD1  ILE   8          1HD1      ILE   8   4.221  -2.913   1.358
   63   2HD1  ILE   8          2HD1      ILE   8   4.975  -1.754   2.455
   64   3HD1  ILE   8          3HD1      ILE   8   3.731  -2.852   3.052
   65    HA   PRO   9           HA       PRO   9  10.118  -5.268   7.363
   66   1HB   PRO   9          1HB       PRO   9  11.644  -3.033   6.132
   67   2HB   PRO   9          2HB       PRO   9  12.216  -4.597   6.729
   68   1HG   PRO   9          1HG       PRO   9  12.031  -4.146   4.122
   69   2HG   PRO   9          2HG       PRO   9  11.557  -5.717   4.801
   70   1HD   PRO   9          1HD       PRO   9   9.836  -3.437   3.916
   71   2HD   PRO   9          2HD       PRO   9   9.606  -5.181   3.674
   72    H    ALA  10           H        ALA  10  10.674  -4.105   9.196
   73    HA   ALA  10           HA       ALA  10   9.178  -1.595   9.568
   74   1HB   ALA  10          1HB       ALA  10   9.939  -3.699  11.601
   75   2HB   ALA  10          2HB       ALA  10   8.326  -3.406  10.950
   76   3HB   ALA  10          3HB       ALA  10   9.102  -2.189  11.962
   77    H    GLN  11           H        GLN  11  11.935  -2.131   8.569
   78    HA   GLN  11           HA       GLN  11  13.542  -0.781  10.604
   79   1HB   GLN  11          1HB       GLN  11  15.459  -1.412   9.189
   80   2HB   GLN  11          2HB       GLN  11  14.504  -2.813   9.651
   81   1HG   GLN  11          1HG       GLN  11  13.345  -2.518   7.378
   82   2HG   GLN  11          2HG       GLN  11  14.715  -1.480   6.980
   83   1HE2  GLN  11          1HE2      GLN  11  15.530  -2.834   5.415
   84   2HE2  GLN  11          2HE2      GLN  11  16.220  -4.376   5.770
   85    H    SER  12           H        SER  12  15.352   0.263   8.484
   86    HA   SER  12           HA       SER  12  14.387   2.831   8.190
   87   1HB   SER  12          1HB       SER  12  16.734   2.165   7.782
   88   2HB   SER  12          2HB       SER  12  16.240   1.375   6.284
   89    HG   SER  12           HG       SER  12  17.007   3.811   6.496
   90    H    MET  13           H        MET  13  13.003   3.828   6.936
   91    HA   MET  13           HA       MET  13  11.025   2.657   5.426
   92   1HB   MET  13          1HB       MET  13  10.984   4.981   6.257
   93   2HB   MET  13          2HB       MET  13  12.206   5.422   5.072
   94   1HG   MET  13          1HG       MET  13  10.204   6.160   4.149
   95   2HG   MET  13          2HG       MET  13  10.535   4.647   3.310
   96   1HE   MET  13          1HE       MET  13   7.388   5.232   6.625
   97   2HE   MET  13          2HE       MET  13   8.386   6.516   5.942
   98   3HE   MET  13          3HE       MET  13   9.121   5.273   6.954
   99    H    ASN  14           H        ASN  14  14.245   3.544   4.493
  100    HA   ASN  14           HA       ASN  14  14.117   3.590   1.733
  101   1HB   ASN  14          1HB       ASN  14  16.151   4.165   2.895
  102   2HB   ASN  14          2HB       ASN  14  16.283   2.545   3.564
  103   1HD2  ASN  14          1HD2      ASN  14  16.682   4.519   0.744
  104   2HD2  ASN  14          2HD2      ASN  14  17.609   3.383  -0.176
  105    H    SER  15           H        SER  15  14.297   0.788   3.907
  106    HA   SER  15           HA       SER  15  14.622  -1.084   1.741
  107   1HB   SER  15          1HB       SER  15  13.867  -1.700   4.607
  108   2HB   SER  15          2HB       SER  15  14.628  -2.777   3.430
  109    HG   SER  15           HG       SER  15  16.390  -1.130   3.447
  110    H    ALA  16           H        ALA  16  12.028   0.015   3.852
  111    HA   ALA  16           HA       ALA  16  10.098  -1.899   3.220
  112   1HB   ALA  16          1HB       ALA  16   9.902  -0.327   5.082
  113   2HB   ALA  16          2HB       ALA  16   8.472  -0.297   4.054
  114   3HB   ALA  16          3HB       ALA  16   9.665   0.995   3.942
  115    H    LEU  17           H        LEU  17  10.789   1.229   1.700
  116    HA   LEU  17           HA       LEU  17   8.665   1.114  -0.153
  117   1HB   LEU  17          1HB       LEU  17  11.281   2.610  -0.292
  118   2HB   LEU  17          2HB       LEU  17   9.923   2.872  -1.368
  119    HG   LEU  17           HG       LEU  17   9.948   3.358   1.612
  120   1HD1  LEU  17          1HD1      LEU  17   9.821   5.272  -0.710
  121   2HD1  LEU  17          2HD1      LEU  17  11.205   5.020   0.352
  122   3HD1  LEU  17          3HD1      LEU  17   9.714   5.705   0.996
  123   1HD2  LEU  17          1HD2      LEU  17   7.751   3.814  -0.406
  124   2HD2  LEU  17          2HD2      LEU  17   7.712   4.287   1.294
  125   3HD2  LEU  17          3HD2      LEU  17   7.760   2.580   0.854
  126    H    GLN  18           H        GLN  18  12.060   0.100  -0.368
  127    HA   GLN  18           HA       GLN  18  11.978  -0.670  -3.082
  128   1HB   GLN  18          1HB       GLN  18  13.749  -1.507  -0.794
  129   2HB   GLN  18          2HB       GLN  18  13.967  -2.127  -2.426
  130   1HG   GLN  18          1HG       GLN  18  14.339   0.117  -3.256
  131   2HG   GLN  18          2HG       GLN  18  14.041   0.776  -1.647
  132   1HE2  GLN  18          1HE2      GLN  18  16.077   1.726  -1.588
  133   2HE2  GLN  18          2HE2      GLN  18  17.511   0.792  -1.328
  134    H    ALA  19           H        ALA  19  11.226  -2.413  -0.104
  135    HA   ALA  19           HA       ALA  19  10.885  -4.955  -1.287
  136   1HB   ALA  19          1HB       ALA  19   9.708  -5.556   0.746
  137   2HB   ALA  19          2HB       ALA  19   9.559  -3.857   1.190
  138   3HB   ALA  19          3HB       ALA  19  11.149  -4.618   1.134
  139    H    LEU  20           H        LEU  20   8.681  -2.248  -0.746
  140    HA   LEU  20           HA       LEU  20   6.309  -3.602  -1.535
  141   1HB   LEU  20          1HB       LEU  20   6.253  -1.573  -0.184
  142   2HB   LEU  20          2HB       LEU  20   7.003  -0.661  -1.479
  143    HG   LEU  20           HG       LEU  20   4.994  -1.042  -2.877
  144   1HD1  LEU  20          1HD1      LEU  20   3.862  -2.273  -0.369
  145   2HD1  LEU  20          2HD1      LEU  20   4.219  -3.118  -1.874
  146   3HD1  LEU  20          3HD1      LEU  20   2.953  -1.893  -1.832
  147   1HD2  LEU  20          1HD2      LEU  20   5.221   1.003  -1.576
  148   2HD2  LEU  20          2HD2      LEU  20   4.468   0.218  -0.189
  149   3HD2  LEU  20          3HD2      LEU  20   3.533   0.496  -1.657
  150    H    ALA  21           H        ALA  21   8.849  -1.907  -3.175
  151    HA   ALA  21           HA       ALA  21   7.527  -1.310  -5.603
  152   1HB   ALA  21          1HB       ALA  21   9.760  -0.942  -6.513
  153   2HB   ALA  21          2HB       ALA  21  10.472  -1.718  -5.097
  154   3HB   ALA  21          3HB       ALA  21   9.597  -0.198  -4.920
  155    H    LYS  22           H        LYS  22   9.873  -3.878  -4.829
  156    HA   LYS  22           HA       LYS  22   9.635  -5.170  -7.328
  157   1HB   LYS  22          1HB       LYS  22  10.614  -6.280  -4.699
  158   2HB   LYS  22          2HB       LYS  22  10.860  -7.026  -6.273
  159   1HG   LYS  22          1HG       LYS  22  12.044  -4.880  -6.931
  160   2HG   LYS  22          2HG       LYS  22  12.027  -4.471  -5.216
  161   1HD   LYS  22          1HD       LYS  22  13.237  -6.976  -6.382
  162   2HD   LYS  22          2HD       LYS  22  14.144  -5.527  -5.968
  163   1HE   LYS  22          1HE       LYS  22  14.457  -6.957  -4.149
  164   2HE   LYS  22          2HE       LYS  22  13.218  -5.829  -3.606
  165   1HZ   LYS  22          1HZ       LYS  22  12.571  -8.485  -4.756
  166   2HZ   LYS  22          2HZ       LYS  22  11.552  -7.446  -3.886
  167   3HZ   LYS  22          3HZ       LYS  22  12.819  -8.241  -3.096
  168    H    GLN  23           H        GLN  23   7.664  -5.325  -4.487
  169    HA   GLN  23           HA       GLN  23   6.584  -7.921  -5.160
  170   1HB   GLN  23          1HB       GLN  23   5.779  -5.921  -3.054
  171   2HB   GLN  23          2HB       GLN  23   4.988  -7.473  -3.279
  172   1HG   GLN  23          1HG       GLN  23   7.393  -8.426  -3.027
  173   2HG   GLN  23          2HG       GLN  23   7.726  -6.869  -2.271
  174   1HE2  GLN  23          1HE2      GLN  23   4.682  -8.574  -2.109
  175   2HE2  GLN  23          2HE2      GLN  23   4.750  -8.951  -0.429
  176    H    THR  24           H        THR  24   5.844  -4.630  -5.926
  177    HA   THR  24           HA       THR  24   3.259  -5.521  -7.016
  178    HB   THR  24           HB       THR  24   2.622  -3.074  -6.952
  179    HG1  THR  24           HG1      THR  24   4.766  -2.845  -5.090
  180   1HG2  THR  24          1HG2      THR  24   2.061  -3.102  -4.571
  181   2HG2  THR  24          2HG2      THR  24   3.226  -4.400  -4.308
  182   3HG2  THR  24          3HG2      THR  24   1.796  -4.689  -5.299
  183    H    ASP  25           H        ASP  25   6.284  -4.927  -7.942
  184    HA   ASP  25           HA       ASP  25   7.380  -4.357  -9.838
  185   1HB   ASP  25          1HB       ASP  25   5.842  -6.059 -10.800
  186   2HB   ASP  25          2HB       ASP  25   4.696  -4.777 -11.175
  187    H    THR  26           H        THR  26   6.730  -2.232  -8.337
  188    HA   THR  26           HA       THR  26   5.805  -0.207 -10.266
  189    HB   THR  26           HB       THR  26   5.399   1.191  -8.170
  190    HG1  THR  26           HG1      THR  26   5.056  -1.106  -6.668
  191   1HG2  THR  26          1HG2      THR  26   3.584   0.167  -9.469
  192   2HG2  THR  26          2HG2      THR  26   3.222   0.165  -7.743
  193   3HG2  THR  26          3HG2      THR  26   3.756  -1.319  -8.534
  194    H    GLN  27           H        GLN  27   6.883   1.841 -10.240
  195    HA   GLN  27           HA       GLN  27   9.695   1.653  -9.395
  196   1HB   GLN  27          1HB       GLN  27   9.490   2.078 -11.740
  197   2HB   GLN  27          2HB       GLN  27   8.296   3.337 -11.474
  198   1HG   GLN  27          1HG       GLN  27  10.348   4.373 -12.067
  199   2HG   GLN  27          2HG       GLN  27  10.051   4.692 -10.361
  200   1HE2  GLN  27          1HE2      GLN  27  12.525   4.744 -11.898
  201   2HE2  GLN  27          2HE2      GLN  27  13.603   3.643 -11.108
  202    H    LEU  28           H        LEU  28  10.288   2.792  -7.649
  203    HA   LEU  28           HA       LEU  28   8.463   4.916  -6.753
  204   1HB   LEU  28          1HB       LEU  28  10.093   2.924  -5.219
  205   2HB   LEU  28          2HB       LEU  28   9.643   4.446  -4.478
  206    HG   LEU  28           HG       LEU  28   7.239   3.872  -4.943
  207   1HD1  LEU  28          1HD1      LEU  28   7.575   2.254  -6.723
  208   2HD1  LEU  28          2HD1      LEU  28   6.684   1.537  -5.381
  209   3HD1  LEU  28          3HD1      LEU  28   8.395   1.167  -5.600
  210   1HD2  LEU  28          1HD2      LEU  28   8.228   3.583  -2.739
  211   2HD2  LEU  28          2HD2      LEU  28   8.800   1.979  -3.190
  212   3HD2  LEU  28          3HD2      LEU  28   7.070   2.296  -3.075
  213    H    LEU  29           H        LEU  29   9.182   6.891  -6.517
  214    HA   LEU  29           HA       LEU  29  12.077   7.371  -6.775
  215   1HB   LEU  29          1HB       LEU  29  10.719   8.233  -8.650
  216   2HB   LEU  29          2HB       LEU  29   9.758   9.162  -7.518
  217    HG   LEU  29           HG       LEU  29  11.748  10.495  -6.927
  218   1HD1  LEU  29          1HD1      LEU  29  13.764  10.326  -8.308
  219   2HD1  LEU  29          2HD1      LEU  29  13.090   8.906  -9.110
  220   3HD1  LEU  29          3HD1      LEU  29  13.472   8.849  -7.388
  221   1HD2  LEU  29          1HD2      LEU  29  10.223  11.281  -8.648
  222   2HD2  LEU  29          2HD2      LEU  29  11.121  10.390  -9.875
  223   3HD2  LEU  29          3HD2      LEU  29  11.882  11.739  -9.031
  224    H    TYR  30           H        TYR  30  12.925   7.836  -4.855
  225    HA   TYR  30           HA       TYR  30  11.708   9.872  -3.200
  226   1HB   TYR  30          1HB       TYR  30  11.663   8.523  -1.170
  227   2HB   TYR  30          2HB       TYR  30  10.636   7.794  -2.397
  228    HD1  TYR  30           HD1      TYR  30  11.526   5.774  -3.665
  229    HD2  TYR  30           HD2      TYR  30  13.419   7.314  -0.179
  230    HE1  TYR  30           HE1      TYR  30  12.700   3.634  -3.364
  231    HE2  TYR  30           HE2      TYR  30  14.603   5.183   0.129
  232    HH   TYR  30           HH       TYR  30  14.196   2.736  -0.543
  233    H    SER  31           H        SER  31  13.180  10.791  -1.722
  234    HA   SER  31           HA       SER  31  15.974  10.201  -2.319
  235   1HB   SER  31          1HB       SER  31  14.724  12.520  -0.819
  236   2HB   SER  31          2HB       SER  31  16.430  12.366  -1.226
  237    HG   SER  31           HG       SER  31  14.223  12.842  -2.919
  238    HA   PRO  32           HA       PRO  32  15.737   7.570   1.285
  239   1HB   PRO  32          1HB       PRO  32  18.656   7.371   0.835
  240   2HB   PRO  32          2HB       PRO  32  17.438   6.094   0.923
  241   1HG   PRO  32          1HG       PRO  32  18.522   6.795  -1.411
  242   2HG   PRO  32          2HG       PRO  32  16.804   6.367  -1.288
  243   1HD   PRO  32          1HD       PRO  32  18.076   9.069  -1.480
  244   2HD   PRO  32          2HD       PRO  32  16.605   8.460  -2.264
  245    H    GLU  33           H        GLU  33  18.246  10.062   0.967
  246    HA   GLU  33           HA       GLU  33  18.860   9.981   3.786
  247   1HB   GLU  33          1HB       GLU  33  20.486  10.547   1.909
  248   2HB   GLU  33          2HB       GLU  33  19.680  12.106   1.814
  249   1HG   GLU  33          1HG       GLU  33  20.276  12.562   4.129
  250   2HG   GLU  33          2HG       GLU  33  21.070  10.991   4.237
  251    H    ASP  34           H        ASP  34  16.605  11.555   1.761
  252    HA   ASP  34           HA       ASP  34  16.296  13.912   3.405
  253   1HB   ASP  34          1HB       ASP  34  15.994  13.935   0.922
  254   2HB   ASP  34          2HB       ASP  34  14.548  12.957   1.130
  255    H    ILE  35           H        ILE  35  15.057  10.746   3.369
  256    HA   ILE  35           HA       ILE  35  12.708  11.485   4.958
  257    HB   ILE  35           HB       ILE  35  12.095   9.099   4.824
  258   1HG1  ILE  35          1HG1      ILE  35  14.575   8.866   3.101
  259   2HG1  ILE  35          2HG1      ILE  35  14.333   8.121   4.676
  260   1HG2  ILE  35          1HG2      ILE  35  11.568   9.071   2.421
  261   2HG2  ILE  35          2HG2      ILE  35  12.699  10.400   2.172
  262   3HG2  ILE  35          3HG2      ILE  35  11.255  10.643   3.156
  263   1HD1  ILE  35          1HD1      ILE  35  12.801   7.501   2.164
  264   2HD1  ILE  35          2HD1      ILE  35  12.523   6.768   3.745
  265   3HD1  ILE  35          3HD1      ILE  35  14.052   6.503   2.907
  266    H    GLY  36           H        GLY  36  15.771  11.341   5.618
  267   1HA   GLY  36          1HA       GLY  36  16.808  11.373   7.667
  268   2HA   GLY  36          2HA       GLY  36  15.271  10.960   8.399
  269    H    GLY  37           H        GLY  37  15.401   8.522   6.402
  270   1HA   GLY  37          1HA       GLY  37  16.087   6.319   6.579
  271   2HA   GLY  37          2HA       GLY  37  17.414   6.869   7.601
  272    H    LEU  38           H        LEU  38  13.977   7.404   8.083
  273    HA   LEU  38           HA       LEU  38  14.192   6.398  10.795
  274   1HB   LEU  38          1HB       LEU  38  11.831   7.234  10.963
  275   2HB   LEU  38          2HB       LEU  38  13.016   8.458  10.559
  276    HG   LEU  38           HG       LEU  38  12.261   7.949   8.091
  277   1HD1  LEU  38          1HD1      LEU  38   9.859   7.426   7.965
  278   2HD1  LEU  38          2HD1      LEU  38   9.869   7.064   9.694
  279   3HD1  LEU  38          3HD1      LEU  38  10.819   6.079   8.581
  280   1HD2  LEU  38          1HD2      LEU  38  10.557   9.530  10.012
  281   2HD2  LEU  38          2HD2      LEU  38  10.618   9.737   8.260
  282   3HD2  LEU  38          3HD2      LEU  38  12.040  10.096   9.240
  283    H    ARG  39           H        ARG  39  12.446   4.893  11.606
  284    HA   ARG  39           HA       ARG  39  12.399   2.638   9.803
  285   1HB   ARG  39          1HB       ARG  39  11.600   1.313  11.619
  286   2HB   ARG  39          2HB       ARG  39  12.874   2.345  12.237
  287   1HG   ARG  39          1HG       ARG  39  11.417   3.624  13.486
  288   2HG   ARG  39          2HG       ARG  39  10.021   3.178  12.501
  289   1HD   ARG  39          1HD       ARG  39   9.982   2.095  14.707
  290   2HD   ARG  39          2HD       ARG  39  10.076   0.928  13.388
  291    HE   ARG  39           HE       ARG  39  12.519   1.742  14.807
  292   1HH1  ARG  39          1HH1      ARG  39  10.156  -0.736  14.024
  293   2HH1  ARG  39          2HH1      ARG  39  11.192  -2.052  14.491
  294   1HH2  ARG  39          1HH2      ARG  39  13.887   0.014  15.414
  295   2HH2  ARG  39          2HH2      ARG  39  13.315  -1.624  15.288
  296    H    SER  40           H        SER  40  10.690   1.664   8.910
  297    HA   SER  40           HA       SER  40   8.271   3.246   8.635
  298   1HB   SER  40          1HB       SER  40   7.766   1.370   6.936
  299   2HB   SER  40          2HB       SER  40   9.108   2.454   6.574
  300    HG   SER  40           HG       SER  40   9.133  -0.243   7.313
  301    H    SER  41           H        SER  41   6.161   2.236   8.834
  302    HA   SER  41           HA       SER  41   6.021   0.417  11.081
  303   1HB   SER  41          1HB       SER  41   4.502   2.405  10.882
  304   2HB   SER  41          2HB       SER  41   3.754   1.640   9.480
  305    HG   SER  41           HG       SER  41   2.734   0.271  10.744
  306    H    ALA  42           H        ALA  42   5.773  -1.702  10.894
  307    HA   ALA  42           HA       ALA  42   6.043  -3.041   8.467
  308   1HB   ALA  42          1HB       ALA  42   6.659  -4.003  10.637
  309   2HB   ALA  42          2HB       ALA  42   5.602  -5.078   9.721
  310   3HB   ALA  42          3HB       ALA  42   4.952  -4.131  11.059
  311    H    LEU  43           H        LEU  43   4.622  -2.923   6.873
  312    HA   LEU  43           HA       LEU  43   1.775  -3.344   7.481
  313   1HB   LEU  43          1HB       LEU  43   2.301  -1.205   6.359
  314   2HB   LEU  43          2HB       LEU  43   3.033  -2.090   5.034
  315    HG   LEU  43           HG       LEU  43   0.866  -3.077   4.476
  316   1HD1  LEU  43          1HD1      LEU  43  -1.172  -2.284   5.571
  317   2HD1  LEU  43          2HD1      LEU  43  -0.198  -1.374   6.725
  318   3HD1  LEU  43          3HD1      LEU  43  -0.118  -3.136   6.698
  319   1HD2  LEU  43          1HD2      LEU  43  -0.223  -1.042   3.671
  320   2HD2  LEU  43          2HD2      LEU  43   1.521  -0.991   3.418
  321   3HD2  LEU  43          3HD2      LEU  43   0.794  -0.078   4.741
  322    H    LYS  44           H        LYS  44   1.919  -5.572   7.571
  323    HA   LYS  44           HA       LYS  44   2.618  -6.894   5.043
  324   1HB   LYS  44          1HB       LYS  44   3.042  -8.925   6.523
  325   2HB   LYS  44          2HB       LYS  44   4.200  -7.603   6.630
  326   1HG   LYS  44          1HG       LYS  44   3.060  -6.810   8.674
  327   2HG   LYS  44          2HG       LYS  44   1.990  -8.211   8.591
  328   1HD   LYS  44          1HD       LYS  44   4.993  -8.429   8.724
  329   2HD   LYS  44          2HD       LYS  44   3.962  -8.420  10.155
  330   1HE   LYS  44          1HE       LYS  44   3.736 -10.392   7.886
  331   2HE   LYS  44          2HE       LYS  44   4.600 -10.693   9.393
  332   1HZ   LYS  44          1HZ       LYS  44   2.494 -10.325  10.591
  333   2HZ   LYS  44          2HZ       LYS  44   2.409 -11.636   9.520
  334   3HZ   LYS  44          3HZ       LYS  44   1.686 -10.159   9.108
  335    H    GLY  45           H        GLY  45   0.953  -7.630   3.985
  336   1HA   GLY  45          1HA       GLY  45  -1.008  -9.344   4.946
  337   2HA   GLY  45          2HA       GLY  45  -1.671  -7.717   5.047
  338    H    ARG  46           H        ARG  46  -3.250  -8.556   3.447
  339    HA   ARG  46           HA       ARG  46  -2.095  -8.537   0.729
  340   1HB   ARG  46          1HB       ARG  46  -3.208 -10.701   1.445
  341   2HB   ARG  46          2HB       ARG  46  -4.725  -9.811   1.505
  342   1HG   ARG  46          1HG       ARG  46  -4.195  -9.161  -0.928
  343   2HG   ARG  46          2HG       ARG  46  -3.033 -10.487  -0.869
  344   1HD   ARG  46          1HD       ARG  46  -5.039 -11.375  -1.762
  345   2HD   ARG  46          2HD       ARG  46  -4.917 -11.961  -0.103
  346    HE   ARG  46           HE       ARG  46  -6.515  -9.555  -0.618
  347   1HH1  ARG  46          1HH1      ARG  46  -6.388 -12.958   0.244
  348   2HH1  ARG  46          2HH1      ARG  46  -8.058 -13.015   0.727
  349   1HH2  ARG  46          1HH2      ARG  46  -8.657  -9.614   0.022
  350   2HH2  ARG  46          2HH2      ARG  46  -9.361 -11.092   0.620
  351    H    HIS  47           H        HIS  47  -2.367  -6.481   0.045
  352    HA   HIS  47           HA       HIS  47  -5.088  -5.427   0.042
  353   1HB   HIS  47          1HB       HIS  47  -2.727  -3.931   1.188
  354   2HB   HIS  47          2HB       HIS  47  -4.246  -3.163   0.746
  355    HD1  HIS  47           HD1      HIS  47  -6.407  -4.484   2.025
  356    HD2  HIS  47           HD2      HIS  47  -2.651  -4.544   3.804
  357    HE1  HIS  47           HE1      HIS  47  -6.815  -4.981   4.454
  358    HE2  HIS  47           HE2      HIS  47  -4.532  -5.025   5.520
  359    H    ASP  48           H        ASP  48  -5.185  -3.351  -1.248
  360    HA   ASP  48           HA       ASP  48  -4.008  -3.750  -3.813
  361   1HB   ASP  48          1HB       ASP  48  -5.484  -1.347  -2.711
  362   2HB   ASP  48          2HB       ASP  48  -5.102  -1.613  -4.406
  363    H    LEU  49           H        LEU  49  -2.751  -2.016  -4.948
  364    HA   LEU  49           HA       LEU  49  -0.415  -1.305  -3.560
  365   1HB   LEU  49          1HB       LEU  49  -0.465  -1.502  -5.985
  366   2HB   LEU  49          2HB       LEU  49  -1.598  -0.168  -6.096
  367    HG   LEU  49           HG       LEU  49   0.163   1.339  -5.176
  368   1HD1  LEU  49          1HD1      LEU  49   2.483   0.555  -5.180
  369   2HD1  LEU  49          2HD1      LEU  49   1.923  -1.082  -5.521
  370   3HD1  LEU  49          3HD1      LEU  49   1.501  -0.306  -3.995
  371   1HD2  LEU  49          1HD2      LEU  49  -0.241   1.184  -7.575
  372   2HD2  LEU  49          2HD2      LEU  49   0.896  -0.161  -7.688
  373   3HD2  LEU  49          3HD2      LEU  49   1.470   1.445  -7.235
  374    H    GLN  50           H        GLN  50  -3.054   0.761  -4.730
  375    HA   GLN  50           HA       GLN  50  -2.213   3.113  -3.445
  376   1HB   GLN  50          1HB       GLN  50  -4.968   2.263  -4.346
  377   2HB   GLN  50          2HB       GLN  50  -4.532   3.898  -3.861
  378   1HG   GLN  50          1HG       GLN  50  -3.081   4.158  -5.711
  379   2HG   GLN  50          2HG       GLN  50  -3.163   2.441  -6.103
  380   1HE2  GLN  50          1HE2      GLN  50  -3.835   2.872  -8.194
  381   2HE2  GLN  50          2HE2      GLN  50  -5.451   3.402  -8.552
  382    H    SER  51           H        SER  51  -4.267   0.473  -2.371
  383    HA   SER  51           HA       SER  51  -5.273   1.655  -0.037
  384   1HB   SER  51          1HB       SER  51  -6.174  -0.424  -0.992
  385   2HB   SER  51          2HB       SER  51  -4.669  -1.260  -0.617
  386    HG   SER  51           HG       SER  51  -6.408  -1.569   0.923
  387    H    SER  52           H        SER  52  -2.421  -0.415  -0.542
  388    HA   SER  52           HA       SER  52  -1.467  -0.331   2.090
  389   1HB   SER  52          1HB       SER  52   0.141  -0.630  -0.455
  390   2HB   SER  52          2HB       SER  52   0.632  -1.141   1.162
  391    HG   SER  52           HG       SER  52  -1.238  -2.269  -0.588
  392    H    LEU  53           H        LEU  53  -0.776   1.768  -0.703
  393    HA   LEU  53           HA       LEU  53   1.165   3.396   0.449
  394   1HB   LEU  53          1HB       LEU  53  -0.996   4.125  -1.532
  395   2HB   LEU  53          2HB       LEU  53   0.377   5.142  -1.146
  396    HG   LEU  53           HG       LEU  53   0.565   2.397  -2.393
  397   1HD1  LEU  53          1HD1      LEU  53   0.832   5.141  -3.613
  398   2HD1  LEU  53          2HD1      LEU  53  -0.459   3.980  -3.916
  399   3HD1  LEU  53          3HD1      LEU  53   1.189   3.620  -4.430
  400   1HD2  LEU  53          1HD2      LEU  53   2.898   2.971  -2.776
  401   2HD2  LEU  53          2HD2      LEU  53   2.526   3.015  -1.051
  402   3HD2  LEU  53          3HD2      LEU  53   2.665   4.519  -1.963
  403    H    ARG  54           H        ARG  54  -2.358   3.677   0.539
  404    HA   ARG  54           HA       ARG  54  -2.517   6.102   1.930
  405   1HB   ARG  54          1HB       ARG  54  -4.460   5.198   0.846
  406   2HB   ARG  54          2HB       ARG  54  -4.404   3.745   1.834
  407   1HG   ARG  54          1HG       ARG  54  -4.993   5.010   3.803
  408   2HG   ARG  54          2HG       ARG  54  -4.927   6.519   2.891
  409   1HD   ARG  54          1HD       ARG  54  -7.231   5.732   3.214
  410   2HD   ARG  54          2HD       ARG  54  -6.784   5.803   1.513
  411    HE   ARG  54           HE       ARG  54  -6.658   3.245   2.963
  412   1HH1  ARG  54          1HH1      ARG  54  -7.998   5.243   0.419
  413   2HH1  ARG  54          2HH1      ARG  54  -8.792   3.918  -0.380
  414   1HH2  ARG  54          1HH2      ARG  54  -7.747   1.497   1.955
  415   2HH2  ARG  54          2HH2      ARG  54  -8.695   1.794   0.520
  416    H    ILE  55           H        ILE  55  -2.476   2.760   3.155
  417    HA   ILE  55           HA       ILE  55  -2.783   3.436   5.868
  418    HB   ILE  55           HB       ILE  55  -1.404   1.002   4.726
  419   1HG1  ILE  55          1HG1      ILE  55  -4.298   1.350   5.538
  420   2HG1  ILE  55          2HG1      ILE  55  -3.729   1.387   3.873
  421   1HG2  ILE  55          1HG2      ILE  55  -0.933   1.286   7.087
  422   2HG2  ILE  55          2HG2      ILE  55  -2.060  -0.054   6.862
  423   3HG2  ILE  55          3HG2      ILE  55  -2.650   1.509   7.428
  424   1HD1  ILE  55          1HD1      ILE  55  -4.676  -0.775   4.443
  425   2HD1  ILE  55          2HD1      ILE  55  -3.509  -0.951   5.756
  426   3HD1  ILE  55          3HD1      ILE  55  -2.955  -0.913   4.081
  427    H    LEU  56           H        LEU  56   0.140   2.829   3.940
  428    HA   LEU  56           HA       LEU  56   1.920   3.042   6.140
  429   1HB   LEU  56          1HB       LEU  56   2.116   2.143   3.577
  430   2HB   LEU  56          2HB       LEU  56   2.970   3.667   3.459
  431    HG   LEU  56           HG       LEU  56   3.652   1.461   5.411
  432   1HD1  LEU  56          1HD1      LEU  56   5.592   1.074   3.982
  433   2HD1  LEU  56          2HD1      LEU  56   4.994   2.275   2.838
  434   3HD1  LEU  56          3HD1      LEU  56   4.085   0.788   3.112
  435   1HD2  LEU  56          1HD2      LEU  56   5.700   2.728   5.787
  436   2HD2  LEU  56          2HD2      LEU  56   4.281   3.686   6.212
  437   3HD2  LEU  56          3HD2      LEU  56   5.132   3.993   4.698
  438    H    LEU  57           H        LEU  57   0.654   5.358   3.804
  439    HA   LEU  57           HA       LEU  57   2.339   7.443   5.011
  440   1HB   LEU  57          1HB       LEU  57   0.980   7.254   2.339
  441   2HB   LEU  57          2HB       LEU  57   1.545   8.788   2.969
  442    HG   LEU  57           HG       LEU  57   3.852   7.744   3.116
  443   1HD1  LEU  57          1HD1      LEU  57   3.195   5.402   3.027
  444   2HD1  LEU  57          2HD1      LEU  57   4.298   5.807   1.710
  445   3HD1  LEU  57          3HD1      LEU  57   2.572   5.633   1.392
  446   1HD2  LEU  57          1HD2      LEU  57   4.310   8.075   0.746
  447   2HD2  LEU  57          2HD2      LEU  57   3.209   9.311   1.358
  448   3HD2  LEU  57          3HD2      LEU  57   2.586   7.972   0.395
  449    H    GLN  58           H        GLN  58  -0.327   6.277   5.947
  450    HA   GLN  58           HA       GLN  58  -2.392   8.077   5.764
  451   1HB   GLN  58          1HB       GLN  58  -3.174   7.236   7.927
  452   2HB   GLN  58          2HB       GLN  58  -2.611   5.932   6.894
  453   1HG   GLN  58          1HG       GLN  58  -0.518   5.840   8.133
  454   2HG   GLN  58          2HG       GLN  58  -1.057   7.168   9.158
  455   1HE2  GLN  58          1HE2      GLN  58  -3.820   6.140   9.181
  456   2HE2  GLN  58          2HE2      GLN  58  -3.804   4.802  10.277
  457    H    GLY  59           H        GLY  59   0.444   8.315   7.859
  458   1HA   GLY  59          1HA       GLY  59   0.058  11.150   8.120
  459   2HA   GLY  59          2HA       GLY  59  -0.261  10.279   9.613
  460    H    THR  60           H        THR  60   2.145   9.324   7.254
  461    HA   THR  60           HA       THR  60   4.194   9.488   9.288
  462    HB   THR  60           HB       THR  60   5.595   8.555   7.286
  463    HG1  THR  60           HG1      THR  60   3.724   7.297   6.057
  464   1HG2  THR  60          1HG2      THR  60   4.773   6.285   7.767
  465   2HG2  THR  60          2HG2      THR  60   3.354   6.977   8.555
  466   3HG2  THR  60          3HG2      THR  60   4.958   7.240   9.239
  467    H    GLY  61           H        GLY  61   2.948  11.655   7.161
  468   1HA   GLY  61          1HA       GLY  61   3.714  13.843   6.860
  469   2HA   GLY  61          2HA       GLY  61   5.306  13.337   7.416
  470    H    LEU  62           H        LEU  62   4.340  11.094   5.212
  471    HA   LEU  62           HA       LEU  62   5.855  12.402   3.081
  472   1HB   LEU  62          1HB       LEU  62   4.995   9.519   3.378
  473   2HB   LEU  62          2HB       LEU  62   6.037  10.154   2.121
  474    HG   LEU  62           HG       LEU  62   6.715  10.084   5.063
  475   1HD1  LEU  62          1HD1      LEU  62   8.305   8.335   4.428
  476   2HD1  LEU  62          2HD1      LEU  62   7.685   8.372   2.776
  477   3HD1  LEU  62          3HD1      LEU  62   6.640   7.850   4.099
  478   1HD2  LEU  62          1HD2      LEU  62   8.961  10.696   4.317
  479   2HD2  LEU  62          2HD2      LEU  62   7.781  11.937   3.896
  480   3HD2  LEU  62          3HD2      LEU  62   8.376  10.831   2.660
  481    H    ARG  63           H        ARG  63   5.047  12.477   0.972
  482    HA   ARG  63           HA       ARG  63   2.141  12.048   0.722
  483   1HB   ARG  63          1HB       ARG  63   3.905  14.131  -0.571
  484   2HB   ARG  63          2HB       ARG  63   2.243  13.825  -1.054
  485   1HG   ARG  63          1HG       ARG  63   1.413  14.566   1.045
  486   2HG   ARG  63          2HG       ARG  63   3.040  14.633   1.729
  487   1HD   ARG  63          1HD       ARG  63   2.132  16.856   1.077
  488   2HD   ARG  63          2HD       ARG  63   3.645  16.430   0.278
  489    HE   ARG  63           HE       ARG  63   1.088  15.979  -1.099
  490   1HH1  ARG  63          1HH1      ARG  63   4.169  17.627  -0.873
  491   2HH1  ARG  63          2HH1      ARG  63   4.125  18.244  -2.496
  492   1HH2  ARG  63          1HH2      ARG  63   1.014  16.768  -3.246
  493   2HH2  ARG  63          2HH2      ARG  63   2.309  17.767  -3.846
  494    H    TYR  64           H        TYR  64   1.425  10.916  -1.022
  495    HA   TYR  64           HA       TYR  64   3.531   9.740  -2.694
  496   1HB   TYR  64          1HB       TYR  64   1.907   7.933  -3.217
  497   2HB   TYR  64          2HB       TYR  64   2.323   8.030  -1.513
  498    HD1  TYR  64           HD1      TYR  64   0.655   9.012   0.096
  499    HD2  TYR  64           HD2      TYR  64  -0.332   8.143  -3.953
  500    HE1  TYR  64           HE1      TYR  64  -1.735   9.063   0.670
  501    HE2  TYR  64           HE2      TYR  64  -2.723   8.198  -3.388
  502    HH   TYR  64           HH       TYR  64  -4.155   7.904  -1.430
  503    H    GLN  65           H        GLN  65   3.787  10.607  -4.573
  504    HA   GLN  65           HA       GLN  65   1.447  11.573  -6.072
  505   1HB   GLN  65          1HB       GLN  65   3.155  13.252  -5.813
  506   2HB   GLN  65          2HB       GLN  65   4.405  12.138  -6.340
  507   1HG   GLN  65          1HG       GLN  65   3.389  12.090  -8.576
  508   2HG   GLN  65          2HG       GLN  65   2.190  13.263  -8.037
  509   1HE2  GLN  65          1HE2      GLN  65   5.534  12.736  -8.827
  510   2HE2  GLN  65          2HE2      GLN  65   5.981  14.405  -8.943
  511    H    ILE  66           H        ILE  66   0.660  10.133  -7.490
  512    HA   ILE  66           HA       ILE  66   2.476   8.056  -8.468
  513    HB   ILE  66           HB       ILE  66   0.483   7.225  -7.324
  514   1HG1  ILE  66          1HG1      ILE  66   0.395   6.680 -10.298
  515   2HG1  ILE  66          2HG1      ILE  66   1.499   5.918  -9.159
  516   1HG2  ILE  66          1HG2      ILE  66  -1.749   7.511  -8.256
  517   2HG2  ILE  66          2HG2      ILE  66  -1.100   8.578  -9.502
  518   3HG2  ILE  66          3HG2      ILE  66  -1.042   9.064  -7.808
  519   1HD1  ILE  66          1HD1      ILE  66  -0.399   4.911  -8.003
  520   2HD1  ILE  66          2HD1      ILE  66  -0.343   4.452  -9.704
  521   3HD1  ILE  66          3HD1      ILE  66  -1.496   5.668  -9.157
  522    H    ASP  67           H        ASP  67   3.123   8.011 -10.471
  523    HA   ASP  67           HA       ASP  67   1.648   9.502 -12.528
  524   1HB   ASP  67          1HB       ASP  67   3.488  10.939 -11.780
  525   2HB   ASP  67          2HB       ASP  67   4.634   9.627 -12.038
  526    H    GLY  68           H        GLY  68   0.970   7.848 -13.760
  527   1HA   GLY  68          1HA       GLY  68   0.987   5.945 -15.042
  528   2HA   GLY  68          2HA       GLY  68   2.683   6.299 -15.327
  529    H    ASN  69           H        ASN  69   4.181   4.992 -14.479
  530    HA   ASN  69           HA       ASN  69   3.258   2.915 -12.607
  531   1HB   ASN  69          1HB       ASN  69   5.598   2.868 -14.530
  532   2HB   ASN  69          2HB       ASN  69   5.147   1.560 -13.442
  533   1HD2  ASN  69          1HD2      ASN  69   3.341   0.324 -13.883
  534   2HD2  ASN  69          2HD2      ASN  69   2.563   0.346 -15.432
  535    H    THR  70           H        THR  70   4.569   5.757 -12.381
  536    HA   THR  70           HA       THR  70   6.786   4.989 -10.608
  537    HB   THR  70           HB       THR  70   6.244   7.696 -11.850
  538    HG1  THR  70           HG1      THR  70   8.347   6.923 -12.951
  539   1HG2  THR  70          1HG2      THR  70   8.648   6.632 -10.352
  540   2HG2  THR  70          2HG2      THR  70   7.503   7.833  -9.755
  541   3HG2  THR  70          3HG2      THR  70   8.541   8.210 -11.131
  542    H    VAL  71           H        VAL  71   6.710   5.434  -8.518
  543    HA   VAL  71           HA       VAL  71   4.485   7.070  -7.490
  544    HB   VAL  71           HB       VAL  71   6.032   4.940  -5.997
  545   1HG1  VAL  71          1HG1      VAL  71   3.532   6.463  -5.278
  546   2HG1  VAL  71          2HG1      VAL  71   5.125   6.657  -4.545
  547   3HG1  VAL  71          3HG1      VAL  71   4.234   5.149  -4.334
  548   1HG2  VAL  71          1HG2      VAL  71   4.037   3.541  -6.198
  549   2HG2  VAL  71          2HG2      VAL  71   4.713   3.926  -7.780
  550   3HG2  VAL  71          3HG2      VAL  71   3.274   4.770  -7.208
  551    H    THR  72           H        THR  72   5.175   9.026  -6.900
  552    HA   THR  72           HA       THR  72   8.011   9.360  -6.219
  553    HB   THR  72           HB       THR  72   6.018  11.541  -6.843
  554    HG1  THR  72           HG1      THR  72   6.901   9.680  -8.498
  555   1HG2  THR  72          1HG2      THR  72   8.022  12.840  -7.379
  556   2HG2  THR  72          2HG2      THR  72   9.035  11.454  -6.978
  557   3HG2  THR  72          3HG2      THR  72   8.087  12.246  -5.720
  558    H    VAL  73           H        VAL  73   8.478   9.494  -4.137
  559    HA   VAL  73           HA       VAL  73   6.366  10.230  -2.241
  560    HB   VAL  73           HB       VAL  73   9.069   8.992  -1.683
  561   1HG1  VAL  73          1HG1      VAL  73   8.179  10.216   0.222
  562   2HG1  VAL  73          2HG1      VAL  73   8.131   8.479   0.523
  563   3HG1  VAL  73          3HG1      VAL  73   6.653   9.343   0.094
  564   1HG2  VAL  73          1HG2      VAL  73   6.356   7.686  -1.861
  565   2HG2  VAL  73          2HG2      VAL  73   7.844   6.896  -1.339
  566   3HG2  VAL  73          3HG2      VAL  73   7.692   7.480  -2.995
  567    H    THR  74           H        THR  74   6.309  12.309  -1.750
  568    HA   THR  74           HA       THR  74   8.855  13.743  -1.432
  569    HB   THR  74           HB       THR  74   7.592  14.867  -3.097
  570    HG1  THR  74           HG1      THR  74   8.447  16.280  -1.482
  571   1HG2  THR  74          1HG2      THR  74   5.216  14.786  -1.239
  572   2HG2  THR  74          2HG2      THR  74   5.422  13.819  -2.697
  573   3HG2  THR  74          3HG2      THR  74   5.268  15.571  -2.817
  574    H    ALA  75           H        ALA  75   9.393  14.512   0.516
  575    HA   ALA  75           HA       ALA  75   7.678  13.815   2.741
  576   1HB   ALA  75          1HB       ALA  75  10.023  13.163   2.828
  577   2HB   ALA  75          2HB       ALA  75   9.636  14.293   4.127
  578   3HB   ALA  75          3HB       ALA  75  10.505  14.856   2.700
  579    H    SER  76           H        SER  76   6.564  15.249   3.938
  580    HA   SER  76           HA       SER  76   6.983  18.096   3.339
  581   1HB   SER  76          1HB       SER  76   4.654  18.399   4.236
  582   2HB   SER  76          2HB       SER  76   4.739  17.419   2.775
  583    HG   SER  76           HG       SER  76   4.887  15.618   4.510
  584    H    ALA  77           H        ALA  77   7.795  19.353   4.859
  585    HA   ALA  77           HA       ALA  77   8.551  20.133   6.846
  586   1HB   ALA  77          1HB       ALA  77   7.186  19.788   8.830
  587   2HB   ALA  77          2HB       ALA  77   6.314  18.484   8.022
  588   3HB   ALA  77          3HB       ALA  77   6.173  20.139   7.429
  589    H    ALA  78           H        ALA  78   9.802  17.819   5.764
  590    HA   ALA  78           HA       ALA  78  10.674  16.449   8.235
  591   1HB   ALA  78          1HB       ALA  78   9.676  14.938   6.586
  592   2HB   ALA  78          2HB       ALA  78  11.393  14.601   6.815
  593   3HB   ALA  78          3HB       ALA  78  10.850  15.477   5.385
  594    H    ALA  79           H        ALA  79  11.481  18.884   6.285
  595    HA   ALA  79           HA       ALA  79  14.324  18.259   6.091
  596   1HB   ALA  79          1HB       ALA  79  12.768  20.574   4.942
  597   2HB   ALA  79          2HB       ALA  79  13.249  19.118   4.072
  598   3HB   ALA  79          3HB       ALA  79  14.476  20.241   4.661
  599    H    LYS  80           H        LYS  80  15.427  18.695   7.876
  600    HA   LYS  80           HA       LYS  80  14.891  21.172   9.345
  601   1HB   LYS  80          1HB       LYS  80  15.256  19.138  10.665
  602   2HB   LYS  80          2HB       LYS  80  16.818  18.896   9.896
  603   1HG   LYS  80          1HG       LYS  80  17.049  19.807  12.141
  604   2HG   LYS  80          2HG       LYS  80  17.662  20.926  10.923
  605   1HD   LYS  80          1HD       LYS  80  16.408  22.181  12.546
  606   2HD   LYS  80          2HD       LYS  80  15.499  22.150  11.037
  607   1HE   LYS  80          1HE       LYS  80  14.043  21.801  12.970
  608   2HE   LYS  80          2HE       LYS  80  14.070  20.388  11.916
  609   1HZ   LYS  80          1HZ       LYS  80  15.884  20.540  14.235
  610   2HZ   LYS  80          2HZ       LYS  80  15.278  19.169  13.435
  611   3HZ   LYS  80          3HZ       LYS  80  14.267  20.074  14.448
  612    H    ASP  81           H        ASP  81  16.944  19.802   6.991
  613    HA   ASP  81           HA       ASP  81  18.938  21.910   7.159
  614   1HB   ASP  81          1HB       ASP  81  18.590  19.588   5.246
  615   2HB   ASP  81          2HB       ASP  81  19.866  20.791   5.092
  616    H    GLY  82           H        GLY  82  19.036  23.649   5.835
  617   1HA   GLY  82          1HA       GLY  82  17.032  23.880   3.704
  618   2HA   GLY  82          2HA       GLY  82  17.019  25.073   4.997
  Start of MODEL   11
    1   1H    SER   1          1H        SER   1 -11.173  -6.605  -9.344
    2   2H    SER   1          2H        SER   1  -9.771  -5.903  -9.988
    3   3H    SER   1          3H        SER   1 -11.209  -5.014  -9.927
    4    HA   SER   1           HA       SER   1  -9.675  -4.323  -8.209
    5   1HB   SER   1          1HB       SER   1 -12.123  -5.780  -7.173
    6   2HB   SER   1          2HB       SER   1 -11.252  -4.505  -6.322
    7    HG   SER   1           HG       SER   1 -12.301  -3.086  -7.449
    8    H    GLN   2           H        GLN   2  -7.743  -5.405  -7.994
    9    HA   GLN   2           HA       GLN   2  -7.810  -7.847  -6.339
   10   1HB   GLN   2          1HB       GLN   2  -5.787  -8.595  -7.453
   11   2HB   GLN   2          2HB       GLN   2  -7.025  -8.264  -8.652
   12   1HG   GLN   2          1HG       GLN   2  -5.985  -6.146  -9.193
   13   2HG   GLN   2          2HG       GLN   2  -4.783  -6.392  -7.930
   14   1HE2  GLN   2          1HE2      GLN   2  -3.159  -7.931  -8.235
   15   2HE2  GLN   2          2HE2      GLN   2  -2.779  -8.559  -9.802
   16    H    GLU   3           H        GLU   3  -5.971  -8.147  -4.922
   17    HA   GLU   3           HA       GLU   3  -4.450  -5.701  -4.337
   18   1HB   GLU   3          1HB       GLU   3  -5.754  -7.505  -2.286
   19   2HB   GLU   3          2HB       GLU   3  -4.627  -6.206  -1.916
   20   1HG   GLU   3          1HG       GLU   3  -6.260  -4.663  -3.109
   21   2HG   GLU   3          2HG       GLU   3  -7.405  -6.002  -3.025
   22    H    TRP   4           H        TRP   4  -2.663  -6.460  -2.577
   23    HA   TRP   4           HA       TRP   4  -1.408  -8.823  -3.804
   24   1HB   TRP   4          1HB       TRP   4  -0.198  -6.095  -3.354
   25   2HB   TRP   4          2HB       TRP   4   0.782  -7.535  -3.624
   26    HD1  TRP   4           HD1      TRP   4   0.652  -8.666  -6.070
   27    HE1  TRP   4           HE1      TRP   4   0.023  -7.682  -8.363
   28    HE3  TRP   4           HE3      TRP   4  -1.696  -4.404  -4.498
   29    HZ2  TRP   4           HZ2      TRP   4  -1.287  -5.389  -9.366
   30    HZ3  TRP   4           HZ3      TRP   4  -2.607  -2.868  -6.187
   31    HH2  TRP   4           HH2      TRP   4  -2.407  -3.351  -8.570
   32    H    THR   5           H        THR   5  -0.000  -9.994  -2.515
   33    HA   THR   5           HA       THR   5  -0.344  -9.611   0.351
   34    HB   THR   5           HB       THR   5   1.065 -11.846  -1.140
   35    HG1  THR   5           HG1      THR   5  -0.964 -12.343  -1.589
   36   1HG2  THR   5          1HG2      THR   5   0.178 -11.622   1.741
   37   2HG2  THR   5          2HG2      THR   5   1.843 -11.635   1.161
   38   3HG2  THR   5          3HG2      THR   5   0.838 -13.072   0.989
   39    H    LEU   6           H        LEU   6   1.004  -8.154   1.193
   40    HA   LEU   6           HA       LEU   6   3.746  -7.988   0.116
   41   1HB   LEU   6          1HB       LEU   6   2.046  -5.769   1.263
   42   2HB   LEU   6          2HB       LEU   6   3.656  -5.595   0.586
   43    HG   LEU   6           HG       LEU   6   1.294  -6.550  -1.029
   44   1HD1  LEU   6          1HD1      LEU   6   2.410  -3.759  -0.817
   45   2HD1  LEU   6          2HD1      LEU   6   0.851  -4.297  -0.187
   46   3HD1  LEU   6          3HD1      LEU   6   1.149  -4.294  -1.926
   47   1HD2  LEU   6          1HD2      LEU   6   3.522  -7.142  -1.881
   48   2HD2  LEU   6          2HD2      LEU   6   3.981  -5.441  -1.840
   49   3HD2  LEU   6          3HD2      LEU   6   2.705  -5.983  -2.929
   50    H    ASP   7           H        ASP   7   5.185  -8.687   1.552
   51    HA   ASP   7           HA       ASP   7   4.727  -8.241   4.408
   52   1HB   ASP   7          1HB       ASP   7   6.910  -9.761   2.956
   53   2HB   ASP   7          2HB       ASP   7   6.818  -9.584   4.703
   54    H    ILE   8           H        ILE   8   5.130  -6.148   4.842
   55    HA   ILE   8           HA       ILE   8   7.425  -4.862   3.555
   56    HB   ILE   8           HB       ILE   8   5.000  -3.688   4.918
   57   1HG1  ILE   8          1HG1      ILE   8   4.590  -4.625   2.684
   58   2HG1  ILE   8          2HG1      ILE   8   4.461  -2.867   2.665
   59   1HG2  ILE   8          1HG2      ILE   8   7.329  -2.252   3.653
   60   2HG2  ILE   8          2HG2      ILE   8   6.917  -2.271   5.369
   61   3HG2  ILE   8          3HG2      ILE   8   5.837  -1.495   4.211
   62   1HD1  ILE   8          1HD1      ILE   8   6.698  -2.719   1.694
   63   2HD1  ILE   8          2HD1      ILE   8   5.619  -3.696   0.698
   64   3HD1  ILE   8          3HD1      ILE   8   6.823  -4.478   1.723
   65    HA   PRO   9           HA       PRO   9   9.740  -5.325   7.340
   66   1HB   PRO   9          1HB       PRO   9  11.388  -3.248   5.986
   67   2HB   PRO   9          2HB       PRO   9  11.875  -4.808   6.667
   68   1HG   PRO   9          1HG       PRO   9  11.699  -4.489   4.039
   69   2HG   PRO   9          2HG       PRO   9  11.135  -5.990   4.799
   70   1HD   PRO   9          1HD       PRO   9   9.548  -3.662   3.801
   71   2HD   PRO   9          2HD       PRO   9   9.215  -5.400   3.652
   72    H    ALA  10           H        ALA  10  10.377  -4.084   9.122
   73    HA   ALA  10           HA       ALA  10   9.190  -1.386   9.282
   74   1HB   ALA  10          1HB       ALA  10   8.811  -1.795  11.663
   75   2HB   ALA  10          2HB       ALA  10   9.488  -3.416  11.500
   76   3HB   ALA  10          3HB       ALA  10   7.984  -3.002  10.678
   77    H    GLN  11           H        GLN  11  11.797  -2.153   8.393
   78    HA   GLN  11           HA       GLN  11  13.533  -1.008  10.450
   79   1HB   GLN  11          1HB       GLN  11  15.364  -1.666   8.892
   80   2HB   GLN  11          2HB       GLN  11  14.377  -3.030   9.405
   81   1HG   GLN  11          1HG       GLN  11  13.147  -2.910   7.282
   82   2HG   GLN  11          2HG       GLN  11  14.192  -1.586   6.769
   83   1HE2  GLN  11          1HE2      GLN  11  13.955  -4.996   7.342
   84   2HE2  GLN  11          2HE2      GLN  11  15.445  -5.431   6.573
   85    H    SER  12           H        SER  12  15.349  -0.010   8.303
   86    HA   SER  12           HA       SER  12  14.551   2.613   8.012
   87   1HB   SER  12          1HB       SER  12  16.217   1.038   6.033
   88   2HB   SER  12          2HB       SER  12  16.257   2.783   6.293
   89    HG   SER  12           HG       SER  12  17.301   2.511   8.170
   90    H    MET  13           H        MET  13  13.145   3.659   6.793
   91    HA   MET  13           HA       MET  13  11.059   2.540   5.396
   92   1HB   MET  13          1HB       MET  13  11.208   4.893   6.205
   93   2HB   MET  13          2HB       MET  13  12.301   5.250   4.878
   94   1HG   MET  13          1HG       MET  13  10.234   6.026   4.149
   95   2HG   MET  13          2HG       MET  13  10.425   4.471   3.341
   96   1HE   MET  13          1HE       MET  13   9.472   5.260   7.076
   97   2HE   MET  13          2HE       MET  13   7.711   5.211   6.996
   98   3HE   MET  13          3HE       MET  13   8.601   6.481   6.151
   99    H    ASN  14           H        ASN  14  14.231   3.415   4.248
  100    HA   ASN  14           HA       ASN  14  13.934   3.388   1.507
  101   1HB   ASN  14          1HB       ASN  14  16.292   2.159   2.954
  102   2HB   ASN  14          2HB       ASN  14  16.286   2.894   1.358
  103   1HD2  ASN  14          1HD2      ASN  14  17.876   4.384   1.810
  104   2HD2  ASN  14          2HD2      ASN  14  17.656   5.699   2.921
  105    H    SER  15           H        SER  15  14.224   0.667   3.744
  106    HA   SER  15           HA       SER  15  14.526  -1.305   1.687
  107   1HB   SER  15          1HB       SER  15  13.717  -1.788   4.565
  108   2HB   SER  15          2HB       SER  15  14.556  -2.891   3.468
  109    HG   SER  15           HG       SER  15  16.059  -1.984   4.858
  110    H    ALA  16           H        ALA  16  11.927  -0.143   3.765
  111    HA   ALA  16           HA       ALA  16   9.982  -2.039   3.054
  112   1HB   ALA  16          1HB       ALA  16   8.376  -0.516   4.013
  113   2HB   ALA  16          2HB       ALA  16   9.539   0.807   3.932
  114   3HB   ALA  16          3HB       ALA  16   9.828  -0.555   5.015
  115    H    LEU  17           H        LEU  17  10.701   1.177   1.722
  116    HA   LEU  17           HA       LEU  17   8.584   1.202  -0.145
  117   1HB   LEU  17          1HB       LEU  17  11.229   2.658  -0.183
  118   2HB   LEU  17          2HB       LEU  17   9.891   2.999  -1.266
  119    HG   LEU  17           HG       LEU  17   9.849   3.321   1.736
  120   1HD1  LEU  17          1HD1      LEU  17  11.224   4.992   0.615
  121   2HD1  LEU  17          2HD1      LEU  17   9.740   5.706   1.252
  122   3HD1  LEU  17          3HD1      LEU  17   9.887   5.368  -0.472
  123   1HD2  LEU  17          1HD2      LEU  17   7.672   4.375   1.379
  124   2HD2  LEU  17          2HD2      LEU  17   7.660   2.689   0.863
  125   3HD2  LEU  17          3HD2      LEU  17   7.759   3.979  -0.337
  126    H    GLN  18           H        GLN  18  12.014   0.348  -0.505
  127    HA   GLN  18           HA       GLN  18  11.920  -0.293  -3.229
  128   1HB   GLN  18          1HB       GLN  18  13.952   0.016  -1.684
  129   2HB   GLN  18          2HB       GLN  18  13.720  -1.666  -1.235
  130   1HG   GLN  18          1HG       GLN  18  14.023  -0.848  -4.100
  131   2HG   GLN  18          2HG       GLN  18  15.421  -1.109  -3.063
  132   1HE2  GLN  18          1HE2      GLN  18  14.437  -2.529  -5.463
  133   2HE2  GLN  18          2HE2      GLN  18  14.320  -4.189  -4.990
  134    H    ALA  19           H        ALA  19  11.316  -2.264  -0.361
  135    HA   ALA  19           HA       ALA  19  10.983  -4.735  -1.690
  136   1HB   ALA  19          1HB       ALA  19  11.317  -4.583   0.728
  137   2HB   ALA  19          2HB       ALA  19   9.855  -5.487   0.336
  138   3HB   ALA  19          3HB       ALA  19   9.736  -3.819   0.900
  139    H    LEU  20           H        LEU  20   8.770  -2.078  -1.026
  140    HA   LEU  20           HA       LEU  20   6.375  -3.442  -1.749
  141   1HB   LEU  20          1HB       LEU  20   6.390  -1.435  -0.342
  142   2HB   LEU  20          2HB       LEU  20   7.057  -0.500  -1.665
  143    HG   LEU  20           HG       LEU  20   4.972  -0.888  -2.955
  144   1HD1  LEU  20          1HD1      LEU  20   4.289  -2.980  -1.908
  145   2HD1  LEU  20          2HD1      LEU  20   3.013  -1.769  -1.808
  146   3HD1  LEU  20          3HD1      LEU  20   3.997  -2.131  -0.391
  147   1HD2  LEU  20          1HD2      LEU  20   4.562   0.324  -0.226
  148   2HD2  LEU  20          2HD2      LEU  20   3.577   0.626  -1.656
  149   3HD2  LEU  20          3HD2      LEU  20   5.261   1.142  -1.625
  150    H    ALA  21           H        ALA  21   8.725  -1.449  -3.381
  151    HA   ALA  21           HA       ALA  21   7.336  -1.048  -5.819
  152   1HB   ALA  21          1HB       ALA  21   9.524  -0.381  -6.710
  153   2HB   ALA  21          2HB       ALA  21  10.303  -1.004  -5.255
  154   3HB   ALA  21          3HB       ALA  21   9.201   0.368  -5.148
  155    H    LYS  22           H        LYS  22   9.917  -3.280  -4.884
  156    HA   LYS  22           HA       LYS  22  10.145  -4.604  -7.335
  157   1HB   LYS  22          1HB       LYS  22  11.844  -4.701  -5.571
  158   2HB   LYS  22          2HB       LYS  22  10.751  -5.628  -4.554
  159   1HG   LYS  22          1HG       LYS  22  10.776  -7.442  -6.221
  160   2HG   LYS  22          2HG       LYS  22  11.930  -6.511  -7.181
  161   1HD   LYS  22          1HD       LYS  22  13.519  -6.552  -5.336
  162   2HD   LYS  22          2HD       LYS  22  12.364  -7.451  -4.350
  163   1HE   LYS  22          1HE       LYS  22  12.422  -9.279  -6.002
  164   2HE   LYS  22          2HE       LYS  22  13.637  -8.388  -6.918
  165   1HZ   LYS  22          1HZ       LYS  22  14.621 -10.075  -5.474
  166   2HZ   LYS  22          2HZ       LYS  22  13.950  -9.317  -4.113
  167   3HZ   LYS  22          3HZ       LYS  22  15.127  -8.513  -5.035
  168    H    GLN  23           H        GLN  23   8.091  -5.303  -4.530
  169    HA   GLN  23           HA       GLN  23   7.296  -7.853  -5.568
  170   1HB   GLN  23          1HB       GLN  23   6.348  -6.223  -3.225
  171   2HB   GLN  23          2HB       GLN  23   5.623  -7.767  -3.661
  172   1HG   GLN  23          1HG       GLN  23   7.864  -8.810  -3.465
  173   2HG   GLN  23          2HG       GLN  23   8.488  -7.267  -2.892
  174   1HE2  GLN  23          1HE2      GLN  23   5.299  -8.332  -2.035
  175   2HE2  GLN  23          2HE2      GLN  23   5.650  -8.724  -0.390
  176    H    THR  24           H        THR  24   6.278  -4.683  -6.224
  177    HA   THR  24           HA       THR  24   3.846  -5.779  -7.486
  178    HB   THR  24           HB       THR  24   3.084  -3.373  -7.624
  179    HG1  THR  24           HG1      THR  24   5.015  -2.874  -5.598
  180   1HG2  THR  24          1HG2      THR  24   2.201  -4.904  -5.929
  181   2HG2  THR  24          2HG2      THR  24   2.348  -3.269  -5.288
  182   3HG2  THR  24          3HG2      THR  24   3.540  -4.496  -4.857
  183    H    ASP  25           H        ASP  25   6.898  -5.156  -8.110
  184    HA   ASP  25           HA       ASP  25   8.234  -4.500  -9.809
  185   1HB   ASP  25          1HB       ASP  25   6.819  -6.423 -10.799
  186   2HB   ASP  25          2HB       ASP  25   6.005  -5.157 -11.716
  187    H    THR  26           H        THR  26   6.976  -2.392  -8.641
  188    HA   THR  26           HA       THR  26   6.227  -0.628 -10.865
  189    HB   THR  26           HB       THR  26   5.557   0.944  -8.968
  190    HG1  THR  26           HG1      THR  26   5.305  -1.282  -7.296
  191   1HG2  THR  26          1HG2      THR  26   3.912  -0.300 -10.271
  192   2HG2  THR  26          2HG2      THR  26   3.427  -0.211  -8.576
  193   3HG2  THR  26          3HG2      THR  26   4.122  -1.700  -9.218
  194    H    GLN  27           H        GLN  27   7.008   1.722 -10.430
  195    HA   GLN  27           HA       GLN  27   9.856   1.589  -9.687
  196   1HB   GLN  27          1HB       GLN  27   9.401   2.203 -12.047
  197   2HB   GLN  27          2HB       GLN  27   8.458   3.575 -11.492
  198   1HG   GLN  27          1HG       GLN  27  10.431   4.549 -10.465
  199   2HG   GLN  27          2HG       GLN  27  11.391   3.157 -10.955
  200   1HE2  GLN  27          1HE2      GLN  27   8.926   4.616 -12.972
  201   2HE2  GLN  27          2HE2      GLN  27  10.012   5.250 -14.158
  202    H    LEU  28           H        LEU  28  10.284   2.491  -7.753
  203    HA   LEU  28           HA       LEU  28   8.458   4.605  -6.838
  204   1HB   LEU  28          1HB       LEU  28   9.723   2.348  -5.414
  205   2HB   LEU  28          2HB       LEU  28   9.693   3.876  -4.556
  206    HG   LEU  28           HG       LEU  28   7.224   3.965  -4.890
  207   1HD1  LEU  28          1HD1      LEU  28   7.584   1.149  -5.891
  208   2HD1  LEU  28          2HD1      LEU  28   7.065   2.532  -6.852
  209   3HD1  LEU  28          3HD1      LEU  28   6.044   1.938  -5.543
  210   1HD2  LEU  28          1HD2      LEU  28   6.697   2.319  -3.183
  211   2HD2  LEU  28          2HD2      LEU  28   8.206   3.152  -2.806
  212   3HD2  LEU  28          3HD2      LEU  28   8.242   1.516  -3.464
  213    H    LEU  29           H        LEU  29   9.233   6.544  -6.683
  214    HA   LEU  29           HA       LEU  29  12.148   6.921  -6.768
  215   1HB   LEU  29          1HB       LEU  29  10.632   7.809  -8.628
  216   2HB   LEU  29          2HB       LEU  29  10.023   8.952  -7.450
  217    HG   LEU  29           HG       LEU  29  12.949   8.798  -8.166
  218   1HD1  LEU  29          1HD1      LEU  29  11.706   9.226 -10.212
  219   2HD1  LEU  29          2HD1      LEU  29  12.547  10.683  -9.683
  220   3HD1  LEU  29          3HD1      LEU  29  10.810  10.521  -9.417
  221   1HD2  LEU  29          1HD2      LEU  29  11.247  10.966  -6.936
  222   2HD2  LEU  29          2HD2      LEU  29  12.962  11.100  -7.322
  223   3HD2  LEU  29          3HD2      LEU  29  12.423   9.961  -6.090
  224    H    TYR  30           H        TYR  30  13.029   7.470  -4.920
  225    HA   TYR  30           HA       TYR  30  11.822   9.504  -3.260
  226   1HB   TYR  30          1HB       TYR  30  12.003   8.206  -1.187
  227   2HB   TYR  30          2HB       TYR  30  10.890   7.425  -2.303
  228    HD1  TYR  30           HD1      TYR  30  11.550   5.331  -3.445
  229    HD2  TYR  30           HD2      TYR  30  14.044   7.152  -0.516
  230    HE1  TYR  30           HE1      TYR  30  12.824   3.239  -3.231
  231    HE2  TYR  30           HE2      TYR  30  15.323   5.065  -0.296
  232    HH   TYR  30           HH       TYR  30  15.015   2.486  -2.504
  233    H    SER  31           H        SER  31  13.371  10.550  -1.961
  234    HA   SER  31           HA       SER  31  16.119   9.987  -2.797
  235   1HB   SER  31          1HB       SER  31  15.240  12.243  -3.306
  236   2HB   SER  31          2HB       SER  31  14.957  12.507  -1.588
  237    HG   SER  31           HG       SER  31  16.941  13.130  -1.458
  238    HA   PRO  32           HA       PRO  32  16.531   7.820   1.000
  239   1HB   PRO  32          1HB       PRO  32  19.330   8.164   1.123
  240   2HB   PRO  32          2HB       PRO  32  18.453   6.798   0.431
  241   1HG   PRO  32          1HG       PRO  32  19.636   9.171  -0.915
  242   2HG   PRO  32          2HG       PRO  32  19.459   7.510  -1.507
  243   1HD   PRO  32          1HD       PRO  32  17.879   9.475  -2.398
  244   2HD   PRO  32          2HD       PRO  32  17.245   7.835  -2.131
  245    H    GLU  33           H        GLU  33  18.509  10.771   0.710
  246    HA   GLU  33           HA       GLU  33  18.841  11.020   3.537
  247   1HB   GLU  33          1HB       GLU  33  20.498  11.810   1.869
  248   2HB   GLU  33          2HB       GLU  33  19.355  13.039   1.351
  249   1HG   GLU  33          1HG       GLU  33  19.446  14.092   3.519
  250   2HG   GLU  33          2HG       GLU  33  20.510  12.819   4.120
  251    H    ASP  34           H        ASP  34  16.403  11.961   1.329
  252    HA   ASP  34           HA       ASP  34  15.613  14.335   2.787
  253   1HB   ASP  34          1HB       ASP  34  14.518  12.989   0.320
  254   2HB   ASP  34          2HB       ASP  34  13.755  14.395   1.056
  255    H    ILE  35           H        ILE  35  15.012  11.067   3.165
  256    HA   ILE  35           HA       ILE  35  12.435  11.609   4.479
  257    HB   ILE  35           HB       ILE  35  12.155   9.159   4.592
  258   1HG1  ILE  35          1HG1      ILE  35  14.664   9.095   2.897
  259   2HG1  ILE  35          2HG1      ILE  35  14.518   8.499   4.547
  260   1HG2  ILE  35          1HG2      ILE  35  11.669   8.835   2.216
  261   2HG2  ILE  35          2HG2      ILE  35  12.647  10.249   1.825
  262   3HG2  ILE  35          3HG2      ILE  35  11.169  10.434   2.769
  263   1HD1  ILE  35          1HD1      ILE  35  12.940   6.805   3.800
  264   2HD1  ILE  35          2HD1      ILE  35  14.466   6.686   2.927
  265   3HD1  ILE  35          3HD1      ILE  35  13.059   7.413   2.150
  266    H    GLY  36           H        GLY  36  15.534  11.771   5.230
  267   1HA   GLY  36          1HA       GLY  36  16.580  12.016   7.249
  268   2HA   GLY  36          2HA       GLY  36  15.006  11.851   8.000
  269    H    GLY  37           H        GLY  37  15.672   9.155   6.108
  270   1HA   GLY  37          1HA       GLY  37  16.217   6.984   6.631
  271   2HA   GLY  37          2HA       GLY  37  17.267   7.634   7.882
  272    H    LEU  38           H        LEU  38  13.758   7.774   7.407
  273    HA   LEU  38           HA       LEU  38  13.330   7.174  10.207
  274   1HB   LEU  38          1HB       LEU  38  11.402   7.696   7.941
  275   2HB   LEU  38          2HB       LEU  38  10.925   7.456   9.609
  276    HG   LEU  38           HG       LEU  38  12.703   9.706   8.670
  277   1HD1  LEU  38          1HD1      LEU  38   9.751   9.689   9.272
  278   2HD1  LEU  38          2HD1      LEU  38  10.508   9.973   7.703
  279   3HD1  LEU  38          3HD1      LEU  38  10.730  11.133   9.013
  280   1HD2  LEU  38          1HD2      LEU  38  13.019   9.082  11.009
  281   2HD2  LEU  38          2HD2      LEU  38  11.283   9.230  11.287
  282   3HD2  LEU  38          3HD2      LEU  38  12.235  10.655  10.868
  283    H    ARG  39           H        ARG  39  11.937   5.420  10.913
  284    HA   ARG  39           HA       ARG  39  12.247   3.054   9.220
  285   1HB   ARG  39          1HB       ARG  39  11.635   1.757  11.205
  286   2HB   ARG  39          2HB       ARG  39  13.013   2.798  11.505
  287   1HG   ARG  39          1HG       ARG  39  11.645   4.340  12.744
  288   2HG   ARG  39          2HG       ARG  39  10.183   3.450  12.307
  289   1HD   ARG  39          1HD       ARG  39  12.451   2.514  14.057
  290   2HD   ARG  39          2HD       ARG  39  10.786   2.839  14.538
  291    HE   ARG  39           HE       ARG  39  11.588   0.625  12.760
  292   1HH1  ARG  39          1HH1      ARG  39   9.459   1.996  15.178
  293   2HH1  ARG  39          2HH1      ARG  39   8.591   0.507  15.432
  294   1HH2  ARG  39          1HH2      ARG  39  10.444  -1.309  13.069
  295   2HH2  ARG  39          2HH2      ARG  39   9.157  -1.376  14.233
  296    H    SER  40           H        SER  40  10.564   1.725   8.662
  297    HA   SER  40           HA       SER  40   8.035   3.106   8.338
  298   1HB   SER  40          1HB       SER  40   7.575   0.972   6.954
  299   2HB   SER  40          2HB       SER  40   8.799   2.097   6.360
  300    HG   SER  40           HG       SER  40   9.067  -0.489   7.119
  301    H    SER  41           H        SER  41   6.013   2.133   8.831
  302    HA   SER  41           HA       SER  41   6.020   0.494  11.221
  303   1HB   SER  41          1HB       SER  41   3.669   1.577   9.638
  304   2HB   SER  41          2HB       SER  41   3.626   0.930  11.279
  305    HG   SER  41           HG       SER  41   3.688   3.272  11.126
  306    H    ALA  42           H        ALA  42   5.726  -1.650  11.233
  307    HA   ALA  42           HA       ALA  42   5.926  -3.178   8.912
  308   1HB   ALA  42          1HB       ALA  42   6.577  -3.978  11.136
  309   2HB   ALA  42          2HB       ALA  42   5.483  -5.105  10.333
  310   3HB   ALA  42          3HB       ALA  42   4.879  -4.043  11.605
  311    H    LEU  43           H        LEU  43   4.439  -2.960   7.345
  312    HA   LEU  43           HA       LEU  43   1.644  -3.568   8.043
  313   1HB   LEU  43          1HB       LEU  43   2.283  -1.236   7.074
  314   2HB   LEU  43          2HB       LEU  43   2.482  -2.090   5.558
  315    HG   LEU  43           HG       LEU  43  -0.093  -2.071   7.136
  316   1HD1  LEU  43          1HD1      LEU  43   0.480   0.194   6.438
  317   2HD1  LEU  43          2HD1      LEU  43  -0.885  -0.429   5.510
  318   3HD1  LEU  43          3HD1      LEU  43   0.721  -0.369   4.784
  319   1HD2  LEU  43          1HD2      LEU  43   0.498  -2.839   4.276
  320   2HD2  LEU  43          2HD2      LEU  43  -1.091  -2.830   5.038
  321   3HD2  LEU  43          3HD2      LEU  43   0.147  -3.960   5.591
  322    H    LYS  44           H        LYS  44   1.832  -5.784   7.797
  323    HA   LYS  44           HA       LYS  44   2.481  -6.667   5.065
  324   1HB   LYS  44          1HB       LYS  44   3.267  -8.796   5.970
  325   2HB   LYS  44          2HB       LYS  44   4.195  -7.450   6.603
  326   1HG   LYS  44          1HG       LYS  44   2.987  -7.584   8.711
  327   2HG   LYS  44          2HG       LYS  44   1.996  -8.899   8.071
  328   1HD   LYS  44          1HD       LYS  44   4.105 -10.191   7.701
  329   2HD   LYS  44          2HD       LYS  44   4.970  -8.920   8.563
  330   1HE   LYS  44          1HE       LYS  44   2.721 -10.582   9.685
  331   2HE   LYS  44          2HE       LYS  44   4.434 -10.839  10.002
  332   1HZ   LYS  44          1HZ       LYS  44   3.496  -9.647  11.812
  333   2HZ   LYS  44          2HZ       LYS  44   2.801  -8.483  10.792
  334   3HZ   LYS  44          3HZ       LYS  44   4.488  -8.564  10.961
  335    H    GLY  45           H        GLY  45   0.901  -7.551   3.990
  336   1HA   GLY  45          1HA       GLY  45  -1.008  -9.349   4.892
  337   2HA   GLY  45          2HA       GLY  45  -1.702  -7.744   5.099
  338    H    ARG  46           H        ARG  46  -3.290  -8.511   3.495
  339    HA   ARG  46           HA       ARG  46  -2.202  -8.459   0.762
  340   1HB   ARG  46          1HB       ARG  46  -3.601 -10.452   1.491
  341   2HB   ARG  46          2HB       ARG  46  -4.972  -9.352   1.559
  342   1HG   ARG  46          1HG       ARG  46  -4.698  -8.846  -0.808
  343   2HG   ARG  46          2HG       ARG  46  -3.308  -9.929  -0.883
  344   1HD   ARG  46          1HD       ARG  46  -6.181 -10.648  -0.355
  345   2HD   ARG  46          2HD       ARG  46  -5.180 -11.123  -1.726
  346    HE   ARG  46           HE       ARG  46  -4.714 -12.048   1.035
  347   1HH1  ARG  46          1HH1      ARG  46  -4.634 -12.572  -2.431
  348   2HH1  ARG  46          2HH1      ARG  46  -4.257 -14.266  -2.287
  349   1HH2  ARG  46          1HH2      ARG  46  -4.179 -14.241   1.229
  350   2HH2  ARG  46          2HH2      ARG  46  -3.951 -15.207  -0.202
  351    H    HIS  47           H        HIS  47  -2.110  -6.336   0.249
  352    HA   HIS  47           HA       HIS  47  -4.618  -4.831   0.367
  353   1HB   HIS  47          1HB       HIS  47  -1.980  -3.887   1.493
  354   2HB   HIS  47          2HB       HIS  47  -3.314  -2.800   1.127
  355    HD1  HIS  47           HD1      HIS  47  -5.559  -3.233   2.539
  356    HD2  HIS  47           HD2      HIS  47  -2.126  -5.131   3.917
  357    HE1  HIS  47           HE1      HIS  47  -6.077  -3.941   4.897
  358    HE2  HIS  47           HE2      HIS  47  -3.924  -4.933   5.767
  359    H    ASP  48           H        ASP  48  -4.866  -3.267  -1.143
  360    HA   ASP  48           HA       ASP  48  -3.508  -3.488  -3.601
  361   1HB   ASP  48          1HB       ASP  48  -5.700  -2.742  -3.783
  362   2HB   ASP  48          2HB       ASP  48  -5.544  -1.629  -2.430
  363    H    LEU  49           H        LEU  49  -2.200  -1.884  -4.696
  364    HA   LEU  49           HA       LEU  49   0.018  -1.128  -3.175
  365   1HB   LEU  49          1HB       LEU  49   0.124  -1.562  -5.577
  366   2HB   LEU  49          2HB       LEU  49  -0.852  -0.142  -5.892
  367    HG   LEU  49           HG       LEU  49   0.965   1.269  -4.945
  368   1HD1  LEU  49          1HD1      LEU  49   2.011  -0.388  -3.506
  369   2HD1  LEU  49          2HD1      LEU  49   3.181   0.289  -4.641
  370   3HD1  LEU  49          3HD1      LEU  49   2.509  -1.318  -4.919
  371   1HD2  LEU  49          1HD2      LEU  49   2.451   1.058  -6.872
  372   2HD2  LEU  49          2HD2      LEU  49   0.756   0.932  -7.346
  373   3HD2  LEU  49          3HD2      LEU  49   1.753  -0.520  -7.237
  374    H    GLN  50           H        GLN  50  -2.401   1.006  -4.717
  375    HA   GLN  50           HA       GLN  50  -1.402   3.388  -3.599
  376   1HB   GLN  50          1HB       GLN  50  -2.900   3.335  -5.554
  377   2HB   GLN  50          2HB       GLN  50  -4.217   2.789  -4.524
  378   1HG   GLN  50          1HG       GLN  50  -4.129   4.873  -3.276
  379   2HG   GLN  50          2HG       GLN  50  -2.775   5.421  -4.264
  380   1HE2  GLN  50          1HE2      GLN  50  -3.889   7.220  -4.978
  381   2HE2  GLN  50          2HE2      GLN  50  -5.168   7.109  -6.143
  382    H    SER  51           H        SER  51  -3.824   1.096  -2.475
  383    HA   SER  51           HA       SER  51  -4.803   2.573  -0.299
  384   1HB   SER  51          1HB       SER  51  -5.689   0.370  -1.281
  385   2HB   SER  51          2HB       SER  51  -4.458  -0.427  -0.305
  386    HG   SER  51           HG       SER  51  -6.137  -0.405   1.039
  387    H    SER  52           H        SER  52  -2.129   0.243  -0.518
  388    HA   SER  52           HA       SER  52  -1.308   0.377   2.163
  389   1HB   SER  52          1HB       SER  52   0.409  -0.138  -0.281
  390   2HB   SER  52          2HB       SER  52   0.790  -0.594   1.380
  391    HG   SER  52           HG       SER  52  -1.190  -1.628  -0.342
  392    H    LEU  53           H        LEU  53  -0.316   2.252  -0.683
  393    HA   LEU  53           HA       LEU  53   1.659   3.828   0.519
  394   1HB   LEU  53          1HB       LEU  53  -0.252   4.523  -1.713
  395   2HB   LEU  53          2HB       LEU  53   1.163   5.464  -1.283
  396    HG   LEU  53           HG       LEU  53   1.254   2.603  -2.241
  397   1HD1  LEU  53          1HD1      LEU  53   0.427   4.056  -3.999
  398   2HD1  LEU  53          2HD1      LEU  53   2.080   3.551  -4.347
  399   3HD1  LEU  53          3HD1      LEU  53   1.765   5.172  -3.730
  400   1HD2  LEU  53          1HD2      LEU  53   3.641   3.049  -2.527
  401   2HD2  LEU  53          2HD2      LEU  53   3.152   3.241  -0.845
  402   3HD2  LEU  53          3HD2      LEU  53   3.425   4.663  -1.854
  403    H    ARG  54           H        ARG  54  -1.841   4.193   0.423
  404    HA   ARG  54           HA       ARG  54  -1.887   6.789   1.572
  405   1HB   ARG  54          1HB       ARG  54  -3.990   4.638   1.370
  406   2HB   ARG  54          2HB       ARG  54  -4.302   6.218   2.076
  407   1HG   ARG  54          1HG       ARG  54  -3.683   7.274  -0.049
  408   2HG   ARG  54          2HG       ARG  54  -3.414   5.679  -0.751
  409   1HD   ARG  54          1HD       ARG  54  -5.755   5.109  -0.384
  410   2HD   ARG  54          2HD       ARG  54  -6.032   6.683   0.363
  411    HE   ARG  54           HE       ARG  54  -4.956   6.955  -2.259
  412   1HH1  ARG  54          1HH1      ARG  54  -7.934   6.266  -0.529
  413   2HH1  ARG  54          2HH1      ARG  54  -8.954   6.863  -1.808
  414   1HH2  ARG  54          1HH2      ARG  54  -6.320   7.715  -3.939
  415   2HH2  ARG  54          2HH2      ARG  54  -8.042   7.672  -3.731
  416    H    ILE  55           H        ILE  55  -2.384   3.547   2.982
  417    HA   ILE  55           HA       ILE  55  -2.870   4.549   5.598
  418    HB   ILE  55           HB       ILE  55  -2.069   1.758   4.758
  419   1HG1  ILE  55          1HG1      ILE  55  -4.110   2.498   3.637
  420   2HG1  ILE  55          2HG1      ILE  55  -4.483   1.276   4.847
  421   1HG2  ILE  55          1HG2      ILE  55  -3.093   1.049   6.874
  422   2HG2  ILE  55          2HG2      ILE  55  -3.359   2.737   7.304
  423   3HG2  ILE  55          3HG2      ILE  55  -1.717   2.120   7.139
  424   1HD1  ILE  55          1HD1      ILE  55  -4.869   4.246   5.149
  425   2HD1  ILE  55          2HD1      ILE  55  -5.224   3.031   6.379
  426   3HD1  ILE  55          3HD1      ILE  55  -6.130   3.046   4.865
  427    H    LEU  56           H        LEU  56   0.012   3.189   4.030
  428    HA   LEU  56           HA       LEU  56   1.585   2.955   6.348
  429   1HB   LEU  56          1HB       LEU  56   1.894   2.047   3.904
  430   2HB   LEU  56          2HB       LEU  56   2.798   3.529   3.672
  431    HG   LEU  56           HG       LEU  56   3.449   1.461   5.779
  432   1HD1  LEU  56          1HD1      LEU  56   4.713   1.930   3.083
  433   2HD1  LEU  56          2HD1      LEU  56   3.718   0.545   3.533
  434   3HD1  LEU  56          3HD1      LEU  56   5.280   0.799   4.310
  435   1HD2  LEU  56          1HD2      LEU  56   4.997   3.838   4.748
  436   2HD2  LEU  56          2HD2      LEU  56   5.604   2.637   5.887
  437   3HD2  LEU  56          3HD2      LEU  56   4.261   3.684   6.342
  438    H    LEU  57           H        LEU  57   1.544   5.524   3.865
  439    HA   LEU  57           HA       LEU  57   3.496   7.095   5.222
  440   1HB   LEU  57          1HB       LEU  57   1.662   7.598   2.903
  441   2HB   LEU  57          2HB       LEU  57   2.598   8.907   3.595
  442    HG   LEU  57           HG       LEU  57   4.681   7.634   3.106
  443   1HD1  LEU  57          1HD1      LEU  57   3.772   5.378   3.093
  444   2HD1  LEU  57          2HD1      LEU  57   4.585   5.736   1.570
  445   3HD1  LEU  57          3HD1      LEU  57   2.825   5.755   1.656
  446   1HD2  LEU  57          1HD2      LEU  57   2.870   8.174   0.763
  447   2HD2  LEU  57          2HD2      LEU  57   4.623   8.002   0.681
  448   3HD2  LEU  57          3HD2      LEU  57   3.910   9.341   1.579
  449    H    GLN  58           H        GLN  58   0.041   6.904   5.337
  450    HA   GLN  58           HA       GLN  58  -0.761   9.307   6.382
  451   1HB   GLN  58          1HB       GLN  58  -2.271   7.472   5.832
  452   2HB   GLN  58          2HB       GLN  58  -1.660   6.538   7.186
  453   1HG   GLN  58          1HG       GLN  58  -2.596   8.119   8.749
  454   2HG   GLN  58          2HG       GLN  58  -3.127   9.153   7.422
  455   1HE2  GLN  58          1HE2      GLN  58  -4.659   7.813   9.538
  456   2HE2  GLN  58          2HE2      GLN  58  -5.835   6.839   8.718
  457    H    GLY  59           H        GLY  59   0.426  10.403   7.847
  458   1HA   GLY  59          1HA       GLY  59   0.355  10.757  10.286
  459   2HA   GLY  59          2HA       GLY  59   0.840   9.077  10.454
  460    H    THR  60           H        THR  60   2.658   9.661   8.013
  461    HA   THR  60           HA       THR  60   4.922  10.449   9.673
  462    HB   THR  60           HB       THR  60   6.321   9.654   7.802
  463    HG1  THR  60           HG1      THR  60   3.836   8.932   6.586
  464   1HG2  THR  60          1HG2      THR  60   4.174   7.699   8.640
  465   2HG2  THR  60          2HG2      THR  60   5.637   8.082   9.545
  466   3HG2  THR  60          3HG2      THR  60   5.756   7.273   7.981
  467    H    GLY  61           H        GLY  61   2.815  11.976   7.545
  468   1HA   GLY  61          1HA       GLY  61   2.882  14.126   6.725
  469   2HA   GLY  61          2HA       GLY  61   4.523  14.273   7.335
  470    H    LEU  62           H        LEU  62   4.091  11.521   5.361
  471    HA   LEU  62           HA       LEU  62   5.555  12.870   3.219
  472   1HB   LEU  62          1HB       LEU  62   5.015   9.928   3.652
  473   2HB   LEU  62          2HB       LEU  62   6.059  10.609   2.420
  474    HG   LEU  62           HG       LEU  62   6.532  10.774   5.399
  475   1HD1  LEU  62          1HD1      LEU  62   7.869   9.108   3.271
  476   2HD1  LEU  62          2HD1      LEU  62   6.835   8.514   4.570
  477   3HD1  LEU  62          3HD1      LEU  62   8.397   9.241   4.947
  478   1HD2  LEU  62          1HD2      LEU  62   7.431  12.708   4.231
  479   2HD2  LEU  62          2HD2      LEU  62   8.240  11.654   3.073
  480   3HD2  LEU  62          3HD2      LEU  62   8.735  11.650   4.766
  481    H    ARG  63           H        ARG  63   4.909  12.669   1.025
  482    HA   ARG  63           HA       ARG  63   2.061  11.994   0.674
  483   1HB   ARG  63          1HB       ARG  63   3.588  14.384  -0.149
  484   2HB   ARG  63          2HB       ARG  63   2.515  13.720  -1.371
  485   1HG   ARG  63          1HG       ARG  63   1.409  15.460  -0.101
  486   2HG   ARG  63          2HG       ARG  63   0.631  13.902   0.173
  487   1HD   ARG  63          1HD       ARG  63   1.924  13.682   2.275
  488   2HD   ARG  63          2HD       ARG  63   2.575  15.297   2.003
  489    HE   ARG  63           HE       ARG  63  -0.072  15.743   1.933
  490   1HH1  ARG  63          1HH1      ARG  63   1.963  14.029   4.194
  491   2HH1  ARG  63          2HH1      ARG  63   0.951  14.352   5.561
  492   1HH2  ARG  63          1HH2      ARG  63  -1.449  16.147   3.725
  493   2HH2  ARG  63          2HH2      ARG  63  -0.980  15.572   5.305
  494    H    TYR  64           H        TYR  64   1.526  10.685  -0.966
  495    HA   TYR  64           HA       TYR  64   3.764   9.575  -2.505
  496   1HB   TYR  64          1HB       TYR  64   2.520   7.578  -2.785
  497   2HB   TYR  64          2HB       TYR  64   2.274   8.049  -1.108
  498    HD1  TYR  64           HD1      TYR  64   0.077   9.051  -0.427
  499    HD2  TYR  64           HD2      TYR  64   0.712   7.411  -4.300
  500    HE1  TYR  64           HE1      TYR  64  -2.357   8.928  -0.771
  501    HE2  TYR  64           HE2      TYR  64  -1.716   7.282  -4.655
  502    HH   TYR  64           HH       TYR  64  -3.959   8.852  -2.614
  503    H    GLN  65           H        GLN  65   3.664   9.344  -4.720
  504    HA   GLN  65           HA       GLN  65   1.456  10.706  -6.104
  505   1HB   GLN  65          1HB       GLN  65   4.405  10.916  -6.751
  506   2HB   GLN  65          2HB       GLN  65   3.109  11.541  -7.761
  507   1HG   GLN  65          1HG       GLN  65   3.470  12.419  -4.915
  508   2HG   GLN  65          2HG       GLN  65   4.334  13.180  -6.247
  509   1HE2  GLN  65          1HE2      GLN  65   1.046  11.977  -6.544
  510   2HE2  GLN  65          2HE2      GLN  65   0.305  13.531  -6.710
  511    H    ILE  66           H        ILE  66   0.426   9.187  -7.214
  512    HA   ILE  66           HA       ILE  66   1.990   6.926  -8.250
  513    HB   ILE  66           HB       ILE  66   0.252   6.165  -6.799
  514   1HG1  ILE  66          1HG1      ILE  66  -0.596   5.731  -9.669
  515   2HG1  ILE  66          2HG1      ILE  66   0.645   4.822  -8.812
  516   1HG2  ILE  66          1HG2      ILE  66  -1.191   8.111  -6.817
  517   2HG2  ILE  66          2HG2      ILE  66  -2.120   6.652  -7.150
  518   3HG2  ILE  66          3HG2      ILE  66  -1.695   7.743  -8.467
  519   1HD1  ILE  66          1HD1      ILE  66  -1.424   3.573  -8.933
  520   2HD1  ILE  66          2HD1      ILE  66  -2.286   4.892  -8.139
  521   3HD1  ILE  66          3HD1      ILE  66  -1.052   3.989  -7.259
  522    H    ASP  67           H        ASP  67   2.705   7.439 -10.190
  523    HA   ASP  67           HA       ASP  67   0.774   8.458 -12.173
  524   1HB   ASP  67          1HB       ASP  67   3.771   8.917 -12.107
  525   2HB   ASP  67          2HB       ASP  67   2.659   9.537 -13.321
  526    H    GLY  68           H        GLY  68   0.187   6.771 -13.380
  527   1HA   GLY  68          1HA       GLY  68   0.291   4.843 -14.634
  528   2HA   GLY  68          2HA       GLY  68   1.954   5.295 -14.981
  529    H    ASN  69           H        ASN  69   3.515   4.028 -14.237
  530    HA   ASN  69           HA       ASN  69   2.845   2.085 -12.117
  531   1HB   ASN  69          1HB       ASN  69   4.452   0.576 -13.058
  532   2HB   ASN  69          2HB       ASN  69   3.458   1.156 -14.390
  533   1HD2  ASN  69          1HD2      ASN  69   6.086   0.011 -14.534
  534   2HD2  ASN  69          2HD2      ASN  69   7.117   1.216 -15.232
  535    H    THR  70           H        THR  70   4.091   4.950 -12.293
  536    HA   THR  70           HA       THR  70   6.518   4.383 -10.729
  537    HB   THR  70           HB       THR  70   5.827   6.871 -12.312
  538    HG1  THR  70           HG1      THR  70   6.412   4.777 -13.427
  539   1HG2  THR  70          1HG2      THR  70   7.275   7.370 -10.404
  540   2HG2  THR  70          2HG2      THR  70   8.180   7.493 -11.914
  541   3HG2  THR  70          3HG2      THR  70   8.373   6.075 -10.883
  542    H    VAL  71           H        VAL  71   6.630   5.063  -8.697
  543    HA   VAL  71           HA       VAL  71   4.466   6.783  -7.672
  544    HB   VAL  71           HB       VAL  71   5.779   4.519  -6.159
  545   1HG1  VAL  71          1HG1      VAL  71   3.352   6.199  -5.536
  546   2HG1  VAL  71          2HG1      VAL  71   4.928   6.312  -4.752
  547   3HG1  VAL  71          3HG1      VAL  71   3.954   4.856  -4.563
  548   1HG2  VAL  71          1HG2      VAL  71   3.644   3.307  -6.445
  549   2HG2  VAL  71          2HG2      VAL  71   4.495   3.569  -7.970
  550   3HG2  VAL  71          3HG2      VAL  71   3.103   4.572  -7.552
  551    H    THR  72           H        THR  72   5.214   8.591  -6.774
  552    HA   THR  72           HA       THR  72   8.054   8.687  -6.014
  553    HB   THR  72           HB       THR  72   6.202  11.010  -6.594
  554    HG1  THR  72           HG1      THR  72   6.607   9.763  -8.483
  555   1HG2  THR  72          1HG2      THR  72   8.101  11.549  -5.121
  556   2HG2  THR  72          2HG2      THR  72   8.251  12.329  -6.696
  557   3HG2  THR  72          3HG2      THR  72   9.211  10.895  -6.325
  558    H    VAL  73           H        VAL  73   8.560   8.819  -3.939
  559    HA   VAL  73           HA       VAL  73   6.458   9.497  -2.001
  560    HB   VAL  73           HB       VAL  73   9.172   8.264  -1.463
  561   1HG1  VAL  73          1HG1      VAL  73   6.731   8.585   0.287
  562   2HG1  VAL  73          2HG1      VAL  73   8.273   9.424   0.467
  563   3HG1  VAL  73          3HG1      VAL  73   8.182   7.681   0.721
  564   1HG2  VAL  73          1HG2      VAL  73   7.809   6.762  -2.820
  565   2HG2  VAL  73          2HG2      VAL  73   6.475   6.922  -1.677
  566   3HG2  VAL  73          3HG2      VAL  73   7.976   6.145  -1.177
  567    H    THR  74           H        THR  74   6.443  11.681  -1.964
  568    HA   THR  74           HA       THR  74   9.012  13.066  -1.619
  569    HB   THR  74           HB       THR  74   7.699  13.752  -3.591
  570    HG1  THR  74           HG1      THR  74   9.034  15.305  -2.575
  571   1HG2  THR  74          1HG2      THR  74   5.645  14.615  -1.556
  572   2HG2  THR  74          2HG2      THR  74   5.448  13.370  -2.788
  573   3HG2  THR  74          3HG2      THR  74   5.622  15.059  -3.263
  574    H    ALA  75           H        ALA  75   9.231  14.657  -0.014
  575    HA   ALA  75           HA       ALA  75   7.397  14.313   2.227
  576   1HB   ALA  75          1HB       ALA  75  10.215  15.388   2.200
  577   2HB   ALA  75          2HB       ALA  75   9.733  13.762   2.684
  578   3HB   ALA  75          3HB       ALA  75   9.216  15.155   3.635
  579    H    SER  76           H        SER  76   5.840  15.818   2.195
  580    HA   SER  76           HA       SER  76   6.325  18.483   1.222
  581   1HB   SER  76          1HB       SER  76   3.924  18.812   2.042
  582   2HB   SER  76          2HB       SER  76   4.164  17.606   0.777
  583    HG   SER  76           HG       SER  76   3.490  17.275   3.470
  584    H    ALA  77           H        ALA  77   6.195  16.842   4.280
  585    HA   ALA  77           HA       ALA  77   6.269  19.330   5.788
  586   1HB   ALA  77          1HB       ALA  77   6.079  17.926   7.759
  587   2HB   ALA  77          2HB       ALA  77   6.300  16.478   6.778
  588   3HB   ALA  77          3HB       ALA  77   4.854  17.467   6.574
  589    H    ALA  78           H        ALA  78   8.315  20.052   5.004
  590    HA   ALA  78           HA       ALA  78  10.681  18.525   5.646
  591   1HB   ALA  78          1HB       ALA  78  10.388  21.367   4.677
  592   2HB   ALA  78          2HB       ALA  78  10.646  19.948   3.663
  593   3HB   ALA  78          3HB       ALA  78  11.900  20.468   4.790
  594    H    ALA  79           H        ALA  79   9.827  18.389   7.932
  595    HA   ALA  79           HA       ALA  79   9.857  18.935  10.134
  596   1HB   ALA  79          1HB       ALA  79  12.141  20.730   9.308
  597   2HB   ALA  79          2HB       ALA  79  12.274  19.022   9.728
  598   3HB   ALA  79          3HB       ALA  79  11.778  20.193  10.951
  599    H    LYS  80           H        LYS  80  10.609  21.547  11.258
  600    HA   LYS  80           HA       LYS  80   8.384  23.163  10.211
  601   1HB   LYS  80          1HB       LYS  80   8.086  22.378  12.567
  602   2HB   LYS  80          2HB       LYS  80   9.535  23.273  13.006
  603   1HG   LYS  80          1HG       LYS  80   8.496  25.356  12.439
  604   2HG   LYS  80          2HG       LYS  80   7.082  24.525  11.789
  605   1HD   LYS  80          1HD       LYS  80   6.643  23.608  14.056
  606   2HD   LYS  80          2HD       LYS  80   7.989  24.577  14.666
  607   1HE   LYS  80          1HE       LYS  80   5.885  25.711  15.077
  608   2HE   LYS  80          2HE       LYS  80   6.844  26.614  13.906
  609   1HZ   LYS  80          1HZ       LYS  80   4.508  26.469  13.256
  610   2HZ   LYS  80          2HZ       LYS  80   4.605  24.775  13.238
  611   3HZ   LYS  80          3HZ       LYS  80   5.505  25.684  12.126
  612    H    ASP  81           H        ASP  81  11.376  23.639  12.084
  613    HA   ASP  81           HA       ASP  81  13.089  25.104  11.885
  614   1HB   ASP  81          1HB       ASP  81  12.388  24.647   8.989
  615   2HB   ASP  81          2HB       ASP  81  13.730  25.683   9.461
  616    H    GLY  82           H        GLY  82  11.206  26.424  12.899
  617   1HA   GLY  82          1HA       GLY  82  11.518  29.084  12.278
  618   2HA   GLY  82          2HA       GLY  82  10.104  28.555  11.370
  Start of MODEL   12
    1   1H    SER   1          1H        SER   1  -7.881  -2.332 -10.838
    2   2H    SER   1          2H        SER   1  -7.186  -3.842 -11.180
    3   3H    SER   1          3H        SER   1  -6.471  -2.815 -10.041
    4    HA   SER   1           HA       SER   1  -8.162  -3.118  -8.494
    5   1HB   SER   1          1HB       SER   1  -9.683  -4.571 -10.672
    6   2HB   SER   1          2HB       SER   1 -10.248  -4.272  -9.030
    7    HG   SER   1           HG       SER   1 -10.721  -2.746 -11.013
    8    H    GLN   2           H        GLN   2  -6.161  -4.275  -7.932
    9    HA   GLN   2           HA       GLN   2  -6.634  -7.133  -7.743
   10   1HB   GLN   2          1HB       GLN   2  -5.441  -6.951  -9.868
   11   2HB   GLN   2          2HB       GLN   2  -4.176  -6.005  -9.098
   12   1HG   GLN   2          1HG       GLN   2  -3.534  -7.919  -7.750
   13   2HG   GLN   2          2HG       GLN   2  -4.842  -8.870  -8.451
   14   1HE2  GLN   2          1HE2      GLN   2  -1.931  -9.281  -8.456
   15   2HE2  GLN   2          2HE2      GLN   2  -1.483  -9.436 -10.121
   16    H    GLU   3           H        GLU   3  -5.629  -8.066  -5.977
   17    HA   GLU   3           HA       GLU   3  -4.174  -6.193  -4.234
   18   1HB   GLU   3          1HB       GLU   3  -5.664  -8.738  -3.563
   19   2HB   GLU   3          2HB       GLU   3  -4.727  -7.801  -2.408
   20   1HG   GLU   3          1HG       GLU   3  -6.217  -5.894  -2.757
   21   2HG   GLU   3          2HG       GLU   3  -7.158  -6.851  -3.902
   22    H    TRP   4           H        TRP   4  -2.368  -7.057  -3.034
   23    HA   TRP   4           HA       TRP   4  -1.076  -9.354  -4.337
   24   1HB   TRP   4          1HB       TRP   4   0.275  -6.752  -3.572
   25   2HB   TRP   4          2HB       TRP   4   1.080  -8.169  -4.228
   26    HD1  TRP   4           HD1      TRP   4   0.766  -8.661  -6.845
   27    HE1  TRP   4           HE1      TRP   4   0.062  -7.135  -8.800
   28    HE3  TRP   4           HE3      TRP   4  -1.240  -4.793  -4.170
   29    HZ2  TRP   4           HZ2      TRP   4  -1.180  -4.630  -9.155
   30    HZ3  TRP   4           HZ3      TRP   4  -2.165  -2.869  -5.393
   31    HH2  TRP   4           HH2      TRP   4  -2.134  -2.791  -7.834
   32    H    THR   5           H        THR   5   0.462 -10.463  -2.986
   33    HA   THR   5           HA       THR   5   0.012 -10.134  -0.144
   34    HB   THR   5           HB       THR   5   1.680 -12.094  -0.092
   35    HG1  THR   5           HG1      THR   5   2.498 -11.837  -2.198
   36   1HG2  THR   5          1HG2      THR   5  -0.046 -13.729  -0.706
   37   2HG2  THR   5          2HG2      THR   5  -0.959 -12.448  -1.506
   38   3HG2  THR   5          3HG2      THR   5  -0.720 -12.400   0.241
   39    H    LEU   6           H        LEU   6   1.051  -8.366   0.567
   40    HA   LEU   6           HA       LEU   6   3.769  -7.833  -0.438
   41   1HB   LEU   6          1HB       LEU   6   1.755  -5.898   0.709
   42   2HB   LEU   6          2HB       LEU   6   3.335  -5.484   0.075
   43    HG   LEU   6           HG       LEU   6   1.064  -6.625  -1.558
   44   1HD1  LEU   6          1HD1      LEU   6   2.144  -3.815  -1.392
   45   2HD1  LEU   6          2HD1      LEU   6   0.578  -4.366  -0.793
   46   3HD1  LEU   6          3HD1      LEU   6   0.917  -4.384  -2.525
   47   1HD2  LEU   6          1HD2      LEU   6   2.471  -6.044  -3.473
   48   2HD2  LEU   6          2HD2      LEU   6   3.258  -7.229  -2.430
   49   3HD2  LEU   6          3HD2      LEU   6   3.755  -5.537  -2.376
   50    H    ASP   7           H        ASP   7   5.225  -8.481   1.007
   51    HA   ASP   7           HA       ASP   7   4.688  -8.068   3.849
   52   1HB   ASP   7          1HB       ASP   7   6.894  -9.552   2.406
   53   2HB   ASP   7          2HB       ASP   7   6.887  -9.297   4.148
   54    H    ILE   8           H        ILE   8   4.974  -5.988   4.347
   55    HA   ILE   8           HA       ILE   8   7.290  -4.570   3.241
   56    HB   ILE   8           HB       ILE   8   4.814  -3.510   4.619
   57   1HG1  ILE   8          1HG1      ILE   8   4.364  -4.337   2.368
   58   2HG1  ILE   8          2HG1      ILE   8   4.277  -2.578   2.397
   59   1HG2  ILE   8          1HG2      ILE   8   6.719  -2.089   5.112
   60   2HG2  ILE   8          2HG2      ILE   8   5.621  -1.281   3.993
   61   3HG2  ILE   8          3HG2      ILE   8   7.117  -1.998   3.396
   62   1HD1  ILE   8          1HD1      ILE   8   5.398  -3.350   0.401
   63   2HD1  ILE   8          2HD1      ILE   8   6.577  -4.228   1.375
   64   3HD1  ILE   8          3HD1      ILE   8   6.525  -2.467   1.431
   65    HA   PRO   9           HA       PRO   9   9.334  -5.258   7.160
   66   1HB   PRO   9          1HB       PRO   9  11.144  -3.188   6.022
   67   2HB   PRO   9          2HB       PRO   9  11.523  -4.802   6.642
   68   1HG   PRO   9          1HG       PRO   9  11.545  -4.327   4.030
   69   2HG   PRO   9          2HG       PRO   9  10.887  -5.850   4.666
   70   1HD   PRO   9          1HD       PRO   9   9.432  -3.410   3.707
   71   2HD   PRO   9          2HD       PRO   9   9.068  -5.125   3.416
   72    H    ALA  10           H        ALA  10   9.567  -4.194   9.070
   73    HA   ALA  10           HA       ALA  10   8.426  -1.491   9.247
   74   1HB   ALA  10          1HB       ALA  10   9.020  -3.484  11.438
   75   2HB   ALA  10          2HB       ALA  10   7.445  -3.226  10.689
   76   3HB   ALA  10          3HB       ALA  10   8.194  -1.938  11.632
   77    H    GLN  11           H        GLN  11  11.058  -2.049   8.231
   78    HA   GLN  11           HA       GLN  11  12.835  -0.943  10.272
   79   1HB   GLN  11          1HB       GLN  11  13.465  -1.968   7.489
   80   2HB   GLN  11          2HB       GLN  11  14.640  -1.523   8.721
   81   1HG   GLN  11          1HG       GLN  11  13.965  -3.349  10.114
   82   2HG   GLN  11          2HG       GLN  11  12.630  -3.739   9.030
   83   1HE2  GLN  11          1HE2      GLN  11  14.249  -3.268   6.634
   84   2HE2  GLN  11          2HE2      GLN  11  15.285  -4.641   6.492
   85    H    SER  12           H        SER  12  14.597   0.351   8.400
   86    HA   SER  12           HA       SER  12  13.512   2.894   8.150
   87   1HB   SER  12          1HB       SER  12  15.673   1.620   6.456
   88   2HB   SER  12          2HB       SER  12  15.372   3.351   6.603
   89    HG   SER  12           HG       SER  12  17.034   2.733   7.991
   90    H    MET  13           H        MET  13  12.483   3.991   6.563
   91    HA   MET  13           HA       MET  13  10.668   2.828   4.869
   92   1HB   MET  13          1HB       MET  13  10.840   5.250   5.566
   93   2HB   MET  13          2HB       MET  13  12.054   5.450   4.313
   94   1HG   MET  13          1HG       MET  13   9.931   6.216   3.509
   95   2HG   MET  13          2HG       MET  13  10.403   4.763   2.629
   96   1HE   MET  13          1HE       MET  13   8.998   4.903   6.309
   97   2HE   MET  13          2HE       MET  13   7.264   4.773   6.019
   98   3HE   MET  13          3HE       MET  13   8.139   6.215   5.499
   99    H    ASN  14           H        ASN  14  14.048   3.460   4.284
  100    HA   ASN  14           HA       ASN  14  14.239   3.193   1.534
  101   1HB   ASN  14          1HB       ASN  14  16.163   2.198   3.651
  102   2HB   ASN  14          2HB       ASN  14  16.543   2.343   1.941
  103   1HD2  ASN  14          1HD2      ASN  14  18.206   3.773   2.325
  104   2HD2  ASN  14          2HD2      ASN  14  17.921   5.415   2.794
  105    H    SER  15           H        SER  15  13.909   0.705   4.014
  106    HA   SER  15           HA       SER  15  14.456  -1.460   2.192
  107   1HB   SER  15          1HB       SER  15  14.955  -1.421   4.710
  108   2HB   SER  15          2HB       SER  15  13.225  -1.668   4.953
  109    HG   SER  15           HG       SER  15  15.106  -3.380   3.703
  110    H    ALA  16           H        ALA  16  11.659  -0.058   3.822
  111    HA   ALA  16           HA       ALA  16   9.715  -1.867   2.965
  112   1HB   ALA  16          1HB       ALA  16   9.412   1.068   3.580
  113   2HB   ALA  16          2HB       ALA  16   9.347  -0.250   4.749
  114   3HB   ALA  16          3HB       ALA  16   8.104  -0.111   3.506
  115    H    LEU  17           H        LEU  17  10.744   1.220   1.513
  116    HA   LEU  17           HA       LEU  17   8.875   1.234  -0.574
  117   1HB   LEU  17          1HB       LEU  17  11.628   2.458  -0.443
  118   2HB   LEU  17          2HB       LEU  17  10.449   2.809  -1.693
  119    HG   LEU  17           HG       LEU  17  10.123   3.395   1.254
  120   1HD1  LEU  17          1HD1      LEU  17  10.289   5.727   0.599
  121   2HD1  LEU  17          2HD1      LEU  17  10.548   5.254  -1.081
  122   3HD1  LEU  17          3HD1      LEU  17  11.750   4.849   0.146
  123   1HD2  LEU  17          1HD2      LEU  17   7.990   2.862   0.200
  124   2HD2  LEU  17          2HD2      LEU  17   8.318   4.033  -1.076
  125   3HD2  LEU  17          3HD2      LEU  17   8.091   4.582   0.583
  126    H    GLN  18           H        GLN  18  12.239   0.047  -0.551
  127    HA   GLN  18           HA       GLN  18  12.232  -0.762  -3.251
  128   1HB   GLN  18          1HB       GLN  18  13.931  -1.674  -0.929
  129   2HB   GLN  18          2HB       GLN  18  14.223  -2.143  -2.601
  130   1HG   GLN  18          1HG       GLN  18  14.224   0.677  -1.540
  131   2HG   GLN  18          2HG       GLN  18  15.653  -0.290  -1.911
  132   1HE2  GLN  18          1HE2      GLN  18  12.939   1.444  -3.241
  133   2HE2  GLN  18          2HE2      GLN  18  13.523   1.524  -4.869
  134    H    ALA  19           H        ALA  19  11.307  -2.445  -0.299
  135    HA   ALA  19           HA       ALA  19  10.972  -5.000  -1.459
  136   1HB   ALA  19          1HB       ALA  19   9.590  -5.505   0.496
  137   2HB   ALA  19          2HB       ALA  19   9.543  -3.792   0.909
  138   3HB   ALA  19          3HB       ALA  19  11.071  -4.667   0.958
  139    H    LEU  20           H        LEU  20   8.836  -2.203  -1.129
  140    HA   LEU  20           HA       LEU  20   6.479  -3.495  -2.060
  141   1HB   LEU  20          1HB       LEU  20   6.481  -1.420  -0.719
  142   2HB   LEU  20          2HB       LEU  20   7.224  -0.567  -2.061
  143    HG   LEU  20           HG       LEU  20   5.208  -1.025  -3.430
  144   1HD1  LEU  20          1HD1      LEU  20   3.175  -1.814  -2.322
  145   2HD1  LEU  20          2HD1      LEU  20   4.094  -2.106  -0.845
  146   3HD1  LEU  20          3HD1      LEU  20   4.441  -3.041  -2.299
  147   1HD2  LEU  20          1HD2      LEU  20   4.664   0.369  -0.812
  148   2HD2  LEU  20          2HD2      LEU  20   3.774   0.592  -2.319
  149   3HD2  LEU  20          3HD2      LEU  20   5.464   1.085  -2.212
  150    H    ALA  21           H        ALA  21   9.107  -1.742  -3.551
  151    HA   ALA  21           HA       ALA  21   7.933  -1.309  -6.101
  152   1HB   ALA  21          1HB       ALA  21   9.881  -0.045  -5.321
  153   2HB   ALA  21          2HB       ALA  21  10.208  -0.844  -6.858
  154   3HB   ALA  21          3HB       ALA  21  10.852  -1.516  -5.361
  155    H    LYS  22           H        LYS  22  10.107  -3.771  -4.827
  156    HA   LYS  22           HA       LYS  22  10.334  -5.352  -7.130
  157   1HB   LYS  22          1HB       LYS  22  11.864  -5.634  -5.305
  158   2HB   LYS  22          2HB       LYS  22  10.558  -6.016  -4.194
  159   1HG   LYS  22          1HG       LYS  22  10.141  -8.100  -5.396
  160   2HG   LYS  22          2HG       LYS  22  11.449  -7.713  -6.518
  161   1HD   LYS  22          1HD       LYS  22  12.183  -9.283  -4.780
  162   2HD   LYS  22          2HD       LYS  22  13.056  -7.753  -4.689
  163   1HE   LYS  22          1HE       LYS  22  11.535  -7.028  -2.886
  164   2HE   LYS  22          2HE       LYS  22  10.735  -8.598  -2.953
  165   1HZ   LYS  22          1HZ       LYS  22  12.760  -9.666  -2.281
  166   2HZ   LYS  22          2HZ       LYS  22  12.410  -8.428  -1.173
  167   3HZ   LYS  22          3HZ       LYS  22  13.615  -8.201  -2.340
  168    H    GLN  23           H        GLN  23   7.947  -5.337  -4.538
  169    HA   GLN  23           HA       GLN  23   6.826  -7.857  -5.345
  170   1HB   GLN  23          1HB       GLN  23   6.107  -5.853  -3.226
  171   2HB   GLN  23          2HB       GLN  23   5.113  -7.268  -3.545
  172   1HG   GLN  23          1HG       GLN  23   6.891  -8.744  -2.964
  173   2HG   GLN  23          2HG       GLN  23   8.042  -7.412  -2.877
  174   1HE2  GLN  23          1HE2      GLN  23   6.202  -5.638  -1.514
  175   2HE2  GLN  23          2HE2      GLN  23   6.093  -6.208   0.112
  176    H    THR  24           H        THR  24   6.157  -4.542  -6.165
  177    HA   THR  24           HA       THR  24   3.660  -5.471  -7.426
  178    HB   THR  24           HB       THR  24   2.943  -3.053  -7.404
  179    HG1  THR  24           HG1      THR  24   5.063  -2.800  -5.499
  180   1HG2  THR  24          1HG2      THR  24   2.246  -3.088  -5.053
  181   2HG2  THR  24          2HG2      THR  24   3.415  -4.368  -4.724
  182   3HG2  THR  24          3HG2      THR  24   2.052  -4.672  -5.803
  183    H    ASP  25           H        ASP  25   6.677  -5.004  -8.221
  184    HA   ASP  25           HA       ASP  25   7.901  -4.355 -10.017
  185   1HB   ASP  25          1HB       ASP  25   6.309  -6.084 -10.989
  186   2HB   ASP  25          2HB       ASP  25   5.366  -4.734 -11.617
  187    H    THR  26           H        THR  26   7.145  -2.193  -8.632
  188    HA   THR  26           HA       THR  26   6.220  -0.253 -10.642
  189    HB   THR  26           HB       THR  26   5.747   1.182  -8.565
  190    HG1  THR  26           HG1      THR  26   5.294  -1.069  -7.057
  191   1HG2  THR  26          1HG2      THR  26   3.970   0.213  -9.915
  192   2HG2  THR  26          2HG2      THR  26   3.559   0.104  -8.204
  193   3HG2  THR  26          3HG2      THR  26   4.135  -1.323  -9.066
  194    H    GLN  27           H        GLN  27   7.163   1.919 -10.482
  195    HA   GLN  27           HA       GLN  27   9.979   1.808  -9.636
  196   1HB   GLN  27          1HB       GLN  27   9.664   2.308 -12.009
  197   2HB   GLN  27          2HB       GLN  27   8.609   3.654 -11.605
  198   1HG   GLN  27          1HG       GLN  27  10.837   4.421 -12.218
  199   2HG   GLN  27          2HG       GLN  27  10.462   4.814 -10.540
  200   1HE2  GLN  27          1HE2      GLN  27  12.443   2.958 -12.679
  201   2HE2  GLN  27          2HE2      GLN  27  13.550   2.373 -11.477
  202    H    LEU  28           H        LEU  28  10.592   2.982  -7.945
  203    HA   LEU  28           HA       LEU  28   8.701   4.989  -6.932
  204   1HB   LEU  28          1HB       LEU  28  10.346   2.952  -5.478
  205   2HB   LEU  28          2HB       LEU  28   9.893   4.442  -4.677
  206    HG   LEU  28           HG       LEU  28   7.490   3.876  -5.173
  207   1HD1  LEU  28          1HD1      LEU  28   8.662   1.196  -5.891
  208   2HD1  LEU  28          2HD1      LEU  28   7.834   2.302  -6.988
  209   3HD1  LEU  28          3HD1      LEU  28   6.947   1.548  -5.663
  210   1HD2  LEU  28          1HD2      LEU  28   7.323   2.224  -3.366
  211   2HD2  LEU  28          2HD2      LEU  28   8.420   3.548  -2.973
  212   3HD2  LEU  28          3HD2      LEU  28   9.065   1.977  -3.451
  213    H    LEU  29           H        LEU  29   9.402   6.960  -6.854
  214    HA   LEU  29           HA       LEU  29  12.291   7.484  -6.954
  215   1HB   LEU  29          1HB       LEU  29   9.918   9.179  -7.750
  216   2HB   LEU  29          2HB       LEU  29  11.572   9.741  -7.761
  217    HG   LEU  29           HG       LEU  29  10.445   7.527  -9.471
  218   1HD1  LEU  29          1HD1      LEU  29   9.709   9.736 -10.167
  219   2HD1  LEU  29          2HD1      LEU  29  10.863   9.068 -11.322
  220   3HD1  LEU  29          3HD1      LEU  29  11.378  10.307 -10.174
  221   1HD2  LEU  29          1HD2      LEU  29  13.220   8.710  -9.414
  222   2HD2  LEU  29          2HD2      LEU  29  12.625   7.494 -10.549
  223   3HD2  LEU  29          3HD2      LEU  29  12.767   7.105  -8.834
  224    H    TYR  30           H        TYR  30  13.144   8.112  -5.074
  225    HA   TYR  30           HA       TYR  30  11.604   9.785  -3.267
  226   1HB   TYR  30          1HB       TYR  30  11.950   8.289  -1.340
  227   2HB   TYR  30          2HB       TYR  30  10.953   7.533  -2.576
  228    HD1  TYR  30           HD1      TYR  30  11.888   5.723  -3.982
  229    HD2  TYR  30           HD2      TYR  30  14.076   7.376  -0.730
  230    HE1  TYR  30           HE1      TYR  30  13.393   3.782  -4.016
  231    HE2  TYR  30           HE2      TYR  30  15.588   5.438  -0.752
  232    HH   TYR  30           HH       TYR  30  15.666   3.198  -3.323
  233    H    SER  31           H        SER  31  12.840  11.007  -1.918
  234    HA   SER  31           HA       SER  31  15.745  10.810  -2.278
  235   1HB   SER  31          1HB       SER  31  14.182  13.124  -1.112
  236   2HB   SER  31          2HB       SER  31  15.846  13.135  -1.696
  237    HG   SER  31           HG       SER  31  13.629  13.653  -3.054
  238    HA   PRO  32           HA       PRO  32  15.862   8.887   1.768
  239   1HB   PRO  32          1HB       PRO  32  18.696   9.783   1.550
  240   2HB   PRO  32          2HB       PRO  32  18.046   8.188   1.939
  241   1HG   PRO  32          1HG       PRO  32  19.077   8.673  -0.459
  242   2HG   PRO  32          2HG       PRO  32  17.624   7.671  -0.282
  243   1HD   PRO  32          1HD       PRO  32  17.877  10.505  -1.189
  244   2HD   PRO  32          2HD       PRO  32  16.784   9.230  -1.764
  245    H    GLU  33           H        GLU  33  17.347  12.045   1.116
  246    HA   GLU  33           HA       GLU  33  17.460  12.839   3.864
  247   1HB   GLU  33          1HB       GLU  33  18.864  13.796   2.014
  248   2HB   GLU  33          2HB       GLU  33  17.423  14.598   1.408
  249   1HG   GLU  33          1HG       GLU  33  18.569  16.218   2.643
  250   2HG   GLU  33          2HG       GLU  33  17.242  15.690   3.681
  251    H    ASP  34           H        ASP  34  15.030  12.808   1.427
  252    HA   ASP  34           HA       ASP  34  13.545  15.036   2.584
  253   1HB   ASP  34          1HB       ASP  34  14.018  14.797   0.105
  254   2HB   ASP  34          2HB       ASP  34  12.899  13.443   0.102
  255    H    ILE  35           H        ILE  35  13.759  11.788   3.044
  256    HA   ILE  35           HA       ILE  35  10.921  11.545   3.801
  257    HB   ILE  35           HB       ILE  35  11.280   9.114   3.913
  258   1HG1  ILE  35          1HG1      ILE  35  14.020   9.731   2.778
  259   2HG1  ILE  35          2HG1      ILE  35  13.703   9.154   4.412
  260   1HG2  ILE  35          1HG2      ILE  35  10.420  10.110   1.865
  261   2HG2  ILE  35          2HG2      ILE  35  11.432   8.712   1.500
  262   3HG2  ILE  35          3HG2      ILE  35  12.064  10.344   1.273
  263   1HD1  ILE  35          1HD1      ILE  35  13.144   7.662   1.861
  264   2HD1  ILE  35          2HD1      ILE  35  12.793   7.078   3.487
  265   3HD1  ILE  35          3HD1      ILE  35  14.461   7.352   2.990
  266    H    GLY  36           H        GLY  36  13.991  12.095   5.018
  267   1HA   GLY  36          1HA       GLY  36  14.583  12.613   7.176
  268   2HA   GLY  36          2HA       GLY  36  12.942  12.241   7.665
  269    H    GLY  37           H        GLY  37  14.385   9.662   6.001
  270   1HA   GLY  37          1HA       GLY  37  15.146   7.605   6.682
  271   2HA   GLY  37          2HA       GLY  37  15.901   8.442   8.028
  272    H    LEU  38           H        LEU  38  12.469   8.198   7.258
  273    HA   LEU  38           HA       LEU  38  11.860   7.488   9.982
  274   1HB   LEU  38          1HB       LEU  38  10.078   7.754   7.555
  275   2HB   LEU  38          2HB       LEU  38   9.516   7.555   9.202
  276    HG   LEU  38           HG       LEU  38  11.149   9.912   8.259
  277   1HD1  LEU  38          1HD1      LEU  38   9.056  10.000   7.112
  278   2HD1  LEU  38          2HD1      LEU  38   8.989  11.147   8.452
  279   3HD1  LEU  38          3HD1      LEU  38   8.172   9.589   8.584
  280   1HD2  LEU  38          1HD2      LEU  38   9.610   9.397  10.799
  281   2HD2  LEU  38          2HD2      LEU  38  10.381  10.921  10.364
  282   3HD2  LEU  38          3HD2      LEU  38  11.365   9.482  10.635
  283    H    ARG  39           H        ARG  39  10.530   5.625  10.554
  284    HA   ARG  39           HA       ARG  39  11.087   3.310   8.813
  285   1HB   ARG  39          1HB       ARG  39  10.822   1.884  10.774
  286   2HB   ARG  39          2HB       ARG  39  12.067   3.083  11.051
  287   1HG   ARG  39          1HG       ARG  39  10.535   4.400  12.400
  288   2HG   ARG  39          2HG       ARG  39   9.240   3.247  12.069
  289   1HD   ARG  39          1HD       ARG  39  11.805   2.695  13.561
  290   2HD   ARG  39          2HD       ARG  39  10.195   2.837  14.262
  291    HE   ARG  39           HE       ARG  39  10.611   0.754  12.256
  292   1HH1  ARG  39          1HH1      ARG  39  10.224   1.611  15.630
  293   2HH1  ARG  39          2HH1      ARG  39   9.892  -0.013  16.141
  294   1HH2  ARG  39          1HH2      ARG  39  10.201  -1.384  12.923
  295   2HH2  ARG  39          2HH2      ARG  39   9.893  -1.725  14.602
  296    H    SER  40           H        SER  40   9.464   1.842   8.372
  297    HA   SER  40           HA       SER  40   6.778   2.938   8.482
  298   1HB   SER  40          1HB       SER  40   6.411   0.746   7.070
  299   2HB   SER  40          2HB       SER  40   7.224   2.136   6.347
  300    HG   SER  40           HG       SER  40   8.194  -0.357   6.887
  301    H    SER  41           H        SER  41   4.987   1.635   9.192
  302    HA   SER  41           HA       SER  41   5.605  -0.138  11.406
  303   1HB   SER  41          1HB       SER  41   3.770   1.596  11.518
  304   2HB   SER  41          2HB       SER  41   2.886   0.656  10.318
  305    HG   SER  41           HG       SER  41   2.396   0.292  12.641
  306    H    ALA  42           H        ALA  42   4.928  -2.312  11.500
  307    HA   ALA  42           HA       ALA  42   5.509  -3.816   9.239
  308   1HB   ALA  42          1HB       ALA  42   3.958  -4.686  11.674
  309   2HB   ALA  42          2HB       ALA  42   5.714  -4.675  11.515
  310   3HB   ALA  42          3HB       ALA  42   4.745  -5.751  10.511
  311    H    LEU  43           H        LEU  43   4.357  -3.555   7.418
  312    HA   LEU  43           HA       LEU  43   1.463  -4.109   7.554
  313   1HB   LEU  43          1HB       LEU  43   2.186  -1.727   6.914
  314   2HB   LEU  43          2HB       LEU  43   2.805  -2.430   5.436
  315    HG   LEU  43           HG       LEU  43   0.436  -3.320   5.053
  316   1HD1  LEU  43          1HD1      LEU  43  -1.348  -2.091   6.150
  317   2HD1  LEU  43          2HD1      LEU  43  -0.166  -1.223   7.130
  318   3HD1  LEU  43          3HD1      LEU  43  -0.372  -2.964   7.331
  319   1HD2  LEU  43          1HD2      LEU  43  -0.309  -1.170   4.121
  320   2HD2  LEU  43          2HD2      LEU  43   1.380  -1.513   3.747
  321   3HD2  LEU  43          3HD2      LEU  43   0.975  -0.354   5.013
  322    H    LYS  44           H        LYS  44   1.933  -6.353   7.241
  323    HA   LYS  44           HA       LYS  44   2.774  -6.971   4.505
  324   1HB   LYS  44          1HB       LYS  44   4.039  -8.932   5.315
  325   2HB   LYS  44          2HB       LYS  44   4.718  -7.402   5.832
  326   1HG   LYS  44          1HG       LYS  44   3.568  -7.760   8.039
  327   2HG   LYS  44          2HG       LYS  44   3.200  -9.396   7.482
  328   1HD   LYS  44          1HD       LYS  44   5.686  -9.628   7.004
  329   2HD   LYS  44          2HD       LYS  44   5.898  -8.143   7.934
  330   1HE   LYS  44          1HE       LYS  44   6.280 -10.025   9.373
  331   2HE   LYS  44          2HE       LYS  44   4.774  -9.240   9.848
  332   1HZ   LYS  44          1HZ       LYS  44   4.894 -11.617   8.074
  333   2HZ   LYS  44          2HZ       LYS  44   3.518 -10.937   8.795
  334   3HZ   LYS  44          3HZ       LYS  44   4.682 -11.713   9.756
  335    H    GLY  45           H        GLY  45   1.232  -7.931   3.488
  336   1HA   GLY  45          1HA       GLY  45  -0.329 -10.082   4.226
  337   2HA   GLY  45          2HA       GLY  45  -1.167  -8.663   4.849
  338    H    ARG  46           H        ARG  46  -2.891  -9.202   3.348
  339    HA   ARG  46           HA       ARG  46  -2.300  -8.845   0.509
  340   1HB   ARG  46          1HB       ARG  46  -4.839  -9.458   2.026
  341   2HB   ARG  46          2HB       ARG  46  -4.851  -9.039   0.320
  342   1HG   ARG  46          1HG       ARG  46  -3.372 -10.964  -0.122
  343   2HG   ARG  46          2HG       ARG  46  -3.491 -11.407   1.581
  344   1HD   ARG  46          1HD       ARG  46  -5.058 -12.669   0.134
  345   2HD   ARG  46          2HD       ARG  46  -5.869 -11.729   1.387
  346    HE   ARG  46           HE       ARG  46  -6.394 -10.083  -0.364
  347   1HH1  ARG  46          1HH1      ARG  46  -5.481 -13.312  -1.359
  348   2HH1  ARG  46          2HH1      ARG  46  -6.368 -13.241  -2.857
  349   1HH2  ARG  46          1HH2      ARG  46  -7.548  -9.964  -2.345
  350   2HH2  ARG  46          2HH2      ARG  46  -7.506 -11.326  -3.441
  351    H    HIS  47           H        HIS  47  -1.957  -6.801  -0.091
  352    HA   HIS  47           HA       HIS  47  -3.750  -4.727   0.959
  353   1HB   HIS  47          1HB       HIS  47  -0.732  -4.546   0.868
  354   2HB   HIS  47          2HB       HIS  47  -1.799  -3.189   1.200
  355    HD1  HIS  47           HD1      HIS  47   0.178  -5.631   2.881
  356    HD2  HIS  47           HD2      HIS  47  -3.471  -3.789   3.635
  357    HE1  HIS  47           HE1      HIS  47  -0.238  -5.938   5.342
  358    HE2  HIS  47           HE2      HIS  47  -2.393  -4.722   5.808
  359    H    ASP  48           H        ASP  48  -4.288  -3.162  -0.451
  360    HA   ASP  48           HA       ASP  48  -3.512  -3.378  -3.219
  361   1HB   ASP  48          1HB       ASP  48  -5.747  -2.721  -2.924
  362   2HB   ASP  48          2HB       ASP  48  -5.347  -1.589  -1.639
  363    H    LEU  49           H        LEU  49  -2.337  -1.729  -4.405
  364    HA   LEU  49           HA       LEU  49   0.023  -0.993  -3.086
  365   1HB   LEU  49          1HB       LEU  49  -0.091  -1.377  -5.493
  366   2HB   LEU  49          2HB       LEU  49  -1.119   0.030  -5.685
  367    HG   LEU  49           HG       LEU  49   0.755   1.462  -4.900
  368   1HD1  LEU  49          1HD1      LEU  49   1.979  -0.150  -3.580
  369   2HD1  LEU  49          2HD1      LEU  49   3.017   0.496  -4.850
  370   3HD1  LEU  49          3HD1      LEU  49   2.315  -1.112  -5.018
  371   1HD2  LEU  49          1HD2      LEU  49   2.072   1.300  -6.954
  372   2HD2  LEU  49          2HD2      LEU  49   0.344   1.151  -7.282
  373   3HD2  LEU  49          3HD2      LEU  49   1.368  -0.285  -7.281
  374    H    GLN  50           H        GLN  50  -2.554   1.116  -4.351
  375    HA   GLN  50           HA       GLN  50  -1.565   3.522  -3.337
  376   1HB   GLN  50          1HB       GLN  50  -4.466   2.793  -3.775
  377   2HB   GLN  50          2HB       GLN  50  -3.795   4.417  -3.717
  378   1HG   GLN  50          1HG       GLN  50  -2.516   3.965  -5.744
  379   2HG   GLN  50          2HG       GLN  50  -3.177   2.332  -5.797
  380   1HE2  GLN  50          1HE2      GLN  50  -4.155   2.596  -7.767
  381   2HE2  GLN  50          2HE2      GLN  50  -5.536   3.607  -8.002
  382    H    SER  51           H        SER  51  -3.772   1.166  -1.943
  383    HA   SER  51           HA       SER  51  -4.464   2.578   0.380
  384   1HB   SER  51          1HB       SER  51  -4.239  -0.420   0.023
  385   2HB   SER  51          2HB       SER  51  -5.178   0.417   1.263
  386    HG   SER  51           HG       SER  51  -5.591   0.479  -1.557
  387    H    SER  52           H        SER  52  -1.801   0.299  -0.236
  388    HA   SER  52           HA       SER  52  -0.778   0.188   2.369
  389   1HB   SER  52          1HB       SER  52   0.776  -0.003  -0.226
  390   2HB   SER  52          2HB       SER  52   1.287  -0.622   1.344
  391    HG   SER  52           HG       SER  52  -0.843  -1.518  -0.293
  392    H    LEU  53           H        LEU  53  -0.053   2.384  -0.307
  393    HA   LEU  53           HA       LEU  53   1.952   3.877   0.993
  394   1HB   LEU  53          1HB       LEU  53   0.039   4.689  -1.195
  395   2HB   LEU  53          2HB       LEU  53   1.442   5.616  -0.704
  396    HG   LEU  53           HG       LEU  53   1.551   2.825  -1.853
  397   1HD1  LEU  53          1HD1      LEU  53   0.762   4.453  -3.497
  398   2HD1  LEU  53          2HD1      LEU  53   2.388   3.884  -3.876
  399   3HD1  LEU  53          3HD1      LEU  53   2.158   5.477  -3.153
  400   1HD2  LEU  53          1HD2      LEU  53   3.955   3.313  -2.076
  401   2HD2  LEU  53          2HD2      LEU  53   3.426   3.304  -0.394
  402   3HD2  LEU  53          3HD2      LEU  53   3.710   4.836  -1.218
  403    H    ARG  54           H        ARG  54  -1.549   4.270   0.770
  404    HA   ARG  54           HA       ARG  54  -1.711   6.745   2.100
  405   1HB   ARG  54          1HB       ARG  54  -3.524   5.818   0.728
  406   2HB   ARG  54          2HB       ARG  54  -3.766   4.537   1.907
  407   1HG   ARG  54          1HG       ARG  54  -4.496   6.126   3.559
  408   2HG   ARG  54          2HG       ARG  54  -4.116   7.472   2.483
  409   1HD   ARG  54          1HD       ARG  54  -6.517   6.970   2.507
  410   2HD   ARG  54          2HD       ARG  54  -5.809   6.725   0.911
  411    HE   ARG  54           HE       ARG  54  -6.025   4.372   2.619
  412   1HH1  ARG  54          1HH1      ARG  54  -7.435   6.272   0.039
  413   2HH1  ARG  54          2HH1      ARG  54  -8.377   4.955  -0.595
  414   1HH2  ARG  54          1HH2      ARG  54  -7.236   2.640   1.794
  415   2HH2  ARG  54          2HH2      ARG  54  -8.248   2.871   0.396
  416    H    ILE  55           H        ILE  55  -2.061   3.407   3.319
  417    HA   ILE  55           HA       ILE  55  -2.595   4.085   5.987
  418    HB   ILE  55           HB       ILE  55  -1.213   1.619   4.914
  419   1HG1  ILE  55          1HG1      ILE  55  -4.105   2.078   5.684
  420   2HG1  ILE  55          2HG1      ILE  55  -3.499   2.021   4.031
  421   1HG2  ILE  55          1HG2      ILE  55  -0.746   1.890   7.274
  422   2HG2  ILE  55          2HG2      ILE  55  -1.880   0.561   7.033
  423   3HG2  ILE  55          3HG2      ILE  55  -2.462   2.122   7.610
  424   1HD1  ILE  55          1HD1      ILE  55  -4.550  -0.074   4.671
  425   2HD1  ILE  55          2HD1      ILE  55  -3.420  -0.242   6.016
  426   3HD1  ILE  55          3HD1      ILE  55  -2.830  -0.300   4.354
  427    H    LEU  56           H        LEU  56   0.516   3.104   4.527
  428    HA   LEU  56           HA       LEU  56   2.012   3.447   6.876
  429   1HB   LEU  56          1HB       LEU  56   2.851   3.452   3.987
  430   2HB   LEU  56          2HB       LEU  56   3.987   3.486   5.320
  431    HG   LEU  56           HG       LEU  56   2.007   1.275   4.762
  432   1HD1  LEU  56          1HD1      LEU  56   3.807   1.349   3.118
  433   2HD1  LEU  56          2HD1      LEU  56   3.985  -0.043   4.186
  434   3HD1  LEU  56          3HD1      LEU  56   5.002   1.380   4.415
  435   1HD2  LEU  56          1HD2      LEU  56   3.218   0.065   6.519
  436   2HD2  LEU  56          2HD2      LEU  56   2.444   1.522   7.143
  437   3HD2  LEU  56          3HD2      LEU  56   4.181   1.507   6.841
  438    H    LEU  57           H        LEU  57   1.496   5.699   4.150
  439    HA   LEU  57           HA       LEU  57   3.161   7.658   5.558
  440   1HB   LEU  57          1HB       LEU  57   2.196   7.517   2.712
  441   2HB   LEU  57          2HB       LEU  57   2.949   8.951   3.375
  442    HG   LEU  57           HG       LEU  57   4.945   7.437   3.929
  443   1HD1  LEU  57          1HD1      LEU  57   5.194   5.484   2.457
  444   2HD1  LEU  57          2HD1      LEU  57   3.516   5.675   1.948
  445   3HD1  LEU  57          3HD1      LEU  57   3.890   5.286   3.626
  446   1HD2  LEU  57          1HD2      LEU  57   4.216   8.030   1.066
  447   2HD2  LEU  57          2HD2      LEU  57   5.841   7.678   1.657
  448   3HD2  LEU  57          3HD2      LEU  57   4.998   9.130   2.199
  449    H    GLN  58           H        GLN  58   0.217   6.947   6.084
  450    HA   GLN  58           HA       GLN  58  -1.495   8.992   5.363
  451   1HB   GLN  58          1HB       GLN  58  -2.247   6.982   6.526
  452   2HB   GLN  58          2HB       GLN  58  -1.418   7.497   7.988
  453   1HG   GLN  58          1HG       GLN  58  -2.884   9.413   8.180
  454   2HG   GLN  58          2HG       GLN  58  -3.688   8.972   6.674
  455   1HE2  GLN  58          1HE2      GLN  58  -5.104   7.240   6.650
  456   2HE2  GLN  58          2HE2      GLN  58  -5.708   6.511   8.101
  457    H    GLY  59           H        GLY  59   0.372   8.839   8.410
  458   1HA   GLY  59          1HA       GLY  59   0.024  11.767   8.592
  459   2HA   GLY  59          2HA       GLY  59  -0.020  10.707   9.991
  460    H    THR  60           H        THR  60   2.278  10.348   7.365
  461    HA   THR  60           HA       THR  60   4.437  10.743   9.257
  462    HB   THR  60           HB       THR  60   5.884  10.092   7.292
  463    HG1  THR  60           HG1      THR  60   4.582   9.051   5.573
  464   1HG2  THR  60          1HG2      THR  60   5.146   8.467   8.982
  465   2HG2  THR  60          2HG2      THR  60   5.258   7.738   7.381
  466   3HG2  THR  60          3HG2      THR  60   3.683   8.170   8.044
  467    H    GLY  61           H        GLY  61   2.689  12.788   7.326
  468   1HA   GLY  61          1HA       GLY  61   3.045  15.011   6.820
  469   2HA   GLY  61          2HA       GLY  61   4.644  14.873   7.532
  470    H    LEU  62           H        LEU  62   4.221  12.441   5.271
  471    HA   LEU  62           HA       LEU  62   5.798  13.953   3.322
  472   1HB   LEU  62          1HB       LEU  62   5.406  10.966   3.569
  473   2HB   LEU  62          2HB       LEU  62   6.504  11.781   2.473
  474    HG   LEU  62           HG       LEU  62   6.729  11.779   5.486
  475   1HD1  LEU  62          1HD1      LEU  62   7.210   9.594   4.554
  476   2HD1  LEU  62          2HD1      LEU  62   8.700  10.368   5.095
  477   3HD1  LEU  62          3HD1      LEU  62   8.307  10.316   3.377
  478   1HD2  LEU  62          1HD2      LEU  62   8.553  12.894   3.358
  479   2HD2  LEU  62          2HD2      LEU  62   8.939  12.784   5.075
  480   3HD2  LEU  62          3HD2      LEU  62   7.621  13.823   4.532
  481    H    ARG  63           H        ARG  63   5.394  13.365   1.020
  482    HA   ARG  63           HA       ARG  63   2.512  12.987   0.540
  483   1HB   ARG  63          1HB       ARG  63   4.644  14.391  -1.070
  484   2HB   ARG  63          2HB       ARG  63   3.056  14.019  -1.715
  485   1HG   ARG  63          1HG       ARG  63   2.011  15.452  -0.076
  486   2HG   ARG  63          2HG       ARG  63   3.576  15.754   0.691
  487   1HD   ARG  63          1HD       ARG  63   4.378  16.946  -1.170
  488   2HD   ARG  63          2HD       ARG  63   3.085  16.356  -2.208
  489    HE   ARG  63           HE       ARG  63   1.766  17.763  -0.307
  490   1HH1  ARG  63          1HH1      ARG  63   4.540  18.527  -2.290
  491   2HH1  ARG  63          2HH1      ARG  63   4.070  20.183  -2.542
  492   1HH2  ARG  63          1HH2      ARG  63   1.130  19.955  -0.637
  493   2HH2  ARG  63          2HH2      ARG  63   2.127  20.984  -1.617
  494    H    TYR  64           H        TYR  64   1.945  11.104  -0.320
  495    HA   TYR  64           HA       TYR  64   3.897   9.654  -1.947
  496   1HB   TYR  64          1HB       TYR  64   2.116   7.811  -1.875
  497   2HB   TYR  64          2HB       TYR  64   2.941   8.174  -0.365
  498    HD1  TYR  64           HD1      TYR  64   1.748   9.456   1.410
  499    HD2  TYR  64           HD2      TYR  64  -0.239   8.107  -2.102
  500    HE1  TYR  64           HE1      TYR  64  -0.418   9.785   2.517
  501    HE2  TYR  64           HE2      TYR  64  -2.414   8.442  -1.004
  502    HH   TYR  64           HH       TYR  64  -2.742  10.174   1.914
  503    H    GLN  65           H        GLN  65   3.884  10.014  -4.013
  504    HA   GLN  65           HA       GLN  65   1.384  10.907  -5.287
  505   1HB   GLN  65          1HB       GLN  65   3.142  12.598  -5.291
  506   2HB   GLN  65          2HB       GLN  65   4.255  11.469  -6.042
  507   1HG   GLN  65          1HG       GLN  65   2.821  11.406  -8.032
  508   2HG   GLN  65          2HG       GLN  65   1.747  12.582  -7.274
  509   1HE2  GLN  65          1HE2      GLN  65   4.873  12.061  -8.719
  510   2HE2  GLN  65          2HE2      GLN  65   5.263  13.729  -8.942
  511    H    ILE  66           H        ILE  66   0.462   9.311  -6.371
  512    HA   ILE  66           HA       ILE  66   2.207   7.415  -7.780
  513    HB   ILE  66           HB       ILE  66   0.816   6.285  -6.165
  514   1HG1  ILE  66          1HG1      ILE  66  -0.232   5.827  -8.966
  515   2HG1  ILE  66          2HG1      ILE  66   1.260   5.159  -8.313
  516   1HG2  ILE  66          1HG2      ILE  66  -1.628   6.313  -6.271
  517   2HG2  ILE  66          2HG2      ILE  66  -1.558   7.517  -7.558
  518   3HG2  ILE  66          3HG2      ILE  66  -0.971   7.917  -5.944
  519   1HD1  ILE  66          1HD1      ILE  66  -0.049   3.918  -6.650
  520   2HD1  ILE  66          2HD1      ILE  66  -0.486   3.497  -8.306
  521   3HD1  ILE  66          3HD1      ILE  66  -1.532   4.558  -7.363
  522    H    ASP  67           H        ASP  67   2.234   7.420  -9.908
  523    HA   ASP  67           HA       ASP  67  -0.106   8.348 -11.399
  524   1HB   ASP  67          1HB       ASP  67   1.488  10.291 -11.097
  525   2HB   ASP  67          2HB       ASP  67   2.675   9.370 -12.017
  526    H    GLY  68           H        GLY  68  -0.569   6.796 -12.812
  527   1HA   GLY  68          1HA       GLY  68  -0.337   4.975 -14.187
  528   2HA   GLY  68          2HA       GLY  68   1.293   5.546 -14.521
  529    H    ASN  69           H        ASN  69   2.933   4.354 -13.831
  530    HA   ASN  69           HA       ASN  69   2.469   2.502 -11.584
  531   1HB   ASN  69          1HB       ASN  69   3.946   2.013 -14.165
  532   2HB   ASN  69          2HB       ASN  69   4.309   1.084 -12.714
  533   1HD2  ASN  69          1HD2      ASN  69   3.613  -0.832 -13.630
  534   2HD2  ASN  69          2HD2      ASN  69   1.942  -1.178 -13.892
  535    H    THR  70           H        THR  70   3.587   5.277 -11.963
  536    HA   THR  70           HA       THR  70   6.264   4.821 -10.830
  537    HB   THR  70           HB       THR  70   5.178   7.395 -11.995
  538    HG1  THR  70           HG1      THR  70   5.433   5.680 -13.575
  539   1HG2  THR  70          1HG2      THR  70   7.973   6.535 -11.237
  540   2HG2  THR  70          2HG2      THR  70   6.987   7.742 -10.412
  541   3HG2  THR  70          3HG2      THR  70   7.561   8.044 -12.052
  542    H    VAL  71           H        VAL  71   6.670   5.454  -8.803
  543    HA   VAL  71           HA       VAL  71   4.553   6.913  -7.351
  544    HB   VAL  71           HB       VAL  71   6.466   4.899  -6.156
  545   1HG1  VAL  71          1HG1      VAL  71   3.980   6.200  -5.052
  546   2HG1  VAL  71          2HG1      VAL  71   5.641   6.555  -4.579
  547   3HG1  VAL  71          3HG1      VAL  71   4.945   4.971  -4.234
  548   1HG2  VAL  71          1HG2      VAL  71   4.981   3.767  -7.725
  549   2HG2  VAL  71          2HG2      VAL  71   3.580   4.493  -6.938
  550   3HG2  VAL  71          3HG2      VAL  71   4.585   3.341  -6.059
  551    H    THR  72           H        THR  72   5.189   8.776  -6.429
  552    HA   THR  72           HA       THR  72   8.092   9.261  -6.155
  553    HB   THR  72           HB       THR  72   5.976  11.404  -6.387
  554    HG1  THR  72           HG1      THR  72   7.301   9.925  -8.392
  555   1HG2  THR  72          1HG2      THR  72   7.889  12.784  -7.092
  556   2HG2  THR  72          2HG2      THR  72   8.960  11.406  -6.851
  557   3HG2  THR  72          3HG2      THR  72   8.122  12.119  -5.474
  558    H    VAL  73           H        VAL  73   8.807   9.469  -4.142
  559    HA   VAL  73           HA       VAL  73   6.858  10.036  -2.004
  560    HB   VAL  73           HB       VAL  73   9.477   8.539  -1.763
  561   1HG1  VAL  73          1HG1      VAL  73   8.876   9.693   0.285
  562   2HG1  VAL  73          2HG1      VAL  73   8.658   7.953   0.481
  563   3HG1  VAL  73          3HG1      VAL  73   7.257   8.996   0.230
  564   1HG2  VAL  73          1HG2      VAL  73   7.849   7.258  -3.043
  565   2HG2  VAL  73          2HG2      VAL  73   6.646   7.495  -1.775
  566   3HG2  VAL  73          3HG2      VAL  73   8.094   6.540  -1.452
  567    H    THR  74           H        THR  74   7.010  12.152  -1.641
  568    HA   THR  74           HA       THR  74   9.643  13.257  -0.982
  569    HB   THR  74           HB       THR  74   9.227  13.949  -3.280
  570    HG1  THR  74           HG1      THR  74   9.898  15.518  -1.426
  571   1HG2  THR  74          1HG2      THR  74   6.645  15.127  -2.252
  572   2HG2  THR  74          2HG2      THR  74   6.794  13.727  -3.313
  573   3HG2  THR  74          3HG2      THR  74   7.290  15.321  -3.881
  574    H    ALA  75           H        ALA  75   9.590  14.979   0.522
  575    HA   ALA  75           HA       ALA  75   7.486  14.867   2.418
  576   1HB   ALA  75          1HB       ALA  75   9.820  15.358   3.018
  577   2HB   ALA  75          2HB       ALA  75   8.711  16.602   3.597
  578   3HB   ALA  75          3HB       ALA  75   9.701  16.899   2.167
  579    H    SER  76           H        SER  76   6.185  16.660   3.145
  580    HA   SER  76           HA       SER  76   4.789  17.899   1.007
  581   1HB   SER  76          1HB       SER  76   4.615  18.399   3.988
  582   2HB   SER  76          2HB       SER  76   3.435  18.926   2.788
  583    HG   SER  76           HG       SER  76   3.935  16.380   3.810
  584    H    ALA  77           H        ALA  77   7.298  18.919   3.201
  585    HA   ALA  77           HA       ALA  77   8.560  20.807   3.366
  586   1HB   ALA  77          1HB       ALA  77   9.308  19.901   1.221
  587   2HB   ALA  77          2HB       ALA  77   9.402  21.662   1.255
  588   3HB   ALA  77          3HB       ALA  77   8.088  20.864   0.390
  589    H    ALA  78           H        ALA  78   6.738  21.821   4.547
  590    HA   ALA  78           HA       ALA  78   5.098  23.715   3.137
  591   1HB   ALA  78          1HB       ALA  78   4.281  22.572   5.152
  592   2HB   ALA  78          2HB       ALA  78   4.256  24.327   5.338
  593   3HB   ALA  78          3HB       ALA  78   5.528  23.378   6.103
  594    H    ALA  79           H        ALA  79   7.998  23.801   5.128
  595    HA   ALA  79           HA       ALA  79   8.624  26.440   4.070
  596   1HB   ALA  79          1HB       ALA  79   7.397  26.924   6.139
  597   2HB   ALA  79          2HB       ALA  79   9.092  27.397   6.262
  598   3HB   ALA  79          3HB       ALA  79   8.530  25.918   7.040
  599    H    LYS  80           H        LYS  80  10.759  26.766   3.822
  600    HA   LYS  80           HA       LYS  80  13.001  26.450   3.803
  601   1HB   LYS  80          1HB       LYS  80  12.398  24.671   6.153
  602   2HB   LYS  80          2HB       LYS  80  14.020  24.840   5.501
  603   1HG   LYS  80          1HG       LYS  80  13.849  27.295   5.913
  604   2HG   LYS  80          2HG       LYS  80  12.317  26.987   6.741
  605   1HD   LYS  80          1HD       LYS  80  14.268  27.132   8.280
  606   2HD   LYS  80          2HD       LYS  80  13.414  25.587   8.365
  607   1HE   LYS  80          1HE       LYS  80  15.106  24.615   6.845
  608   2HE   LYS  80          2HE       LYS  80  15.973  26.148   6.863
  609   1HZ   LYS  80          1HZ       LYS  80  15.415  24.563   9.306
  610   2HZ   LYS  80          2HZ       LYS  80  16.450  25.896   9.158
  611   3HZ   LYS  80          3HZ       LYS  80  16.842  24.425   8.409
  612    H    ASP  81           H        ASP  81  14.398  25.238   2.646
  613    HA   ASP  81           HA       ASP  81  13.428  22.695   1.599
  614   1HB   ASP  81          1HB       ASP  81  14.305  24.308  -0.016
  615   2HB   ASP  81          2HB       ASP  81  15.832  24.386   0.857
  616    H    GLY  82           H        GLY  82  13.643  21.567   3.585
  617   1HA   GLY  82          1HA       GLY  82  15.118  19.769   4.379
  618   2HA   GLY  82          2HA       GLY  82  16.433  20.938   4.316
  Start of MODEL   13
    1   1H    SER   1          1H        SER   1  -9.997  -3.334  -6.723
    2   2H    SER   1          2H        SER   1  -8.929  -3.713  -7.981
    3   3H    SER   1          3H        SER   1  -8.346  -3.551  -6.393
    4    HA   SER   1           HA       SER   1  -9.642  -5.459  -5.702
    5   1HB   SER   1          1HB       SER   1 -11.421  -5.222  -7.414
    6   2HB   SER   1          2HB       SER   1 -10.278  -5.726  -8.653
    7    HG   SER   1           HG       SER   1 -11.482  -7.233  -6.601
    8    H    GLN   2           H        GLN   2  -7.515  -4.757  -8.382
    9    HA   GLN   2           HA       GLN   2  -6.060  -7.210  -8.272
   10   1HB   GLN   2          1HB       GLN   2  -5.965  -5.644 -10.207
   11   2HB   GLN   2          2HB       GLN   2  -5.134  -4.474  -9.194
   12   1HG   GLN   2          1HG       GLN   2  -3.518  -5.571 -10.549
   13   2HG   GLN   2          2HG       GLN   2  -3.304  -6.128  -8.891
   14   1HE2  GLN   2          1HE2      GLN   2  -5.872  -7.212 -11.003
   15   2HE2  GLN   2          2HE2      GLN   2  -5.305  -8.836 -11.178
   16    H    GLU   3           H        GLU   3  -5.629  -7.661  -6.134
   17    HA   GLU   3           HA       GLU   3  -4.123  -5.650  -4.608
   18   1HB   GLU   3          1HB       GLU   3  -5.914  -7.869  -3.590
   19   2HB   GLU   3          2HB       GLU   3  -5.028  -6.729  -2.584
   20   1HG   GLU   3          1HG       GLU   3  -6.330  -4.891  -3.457
   21   2HG   GLU   3          2HG       GLU   3  -7.170  -5.977  -4.562
   22    H    TRP   4           H        TRP   4  -2.666  -6.604  -2.959
   23    HA   TRP   4           HA       TRP   4  -1.454  -9.116  -3.858
   24   1HB   TRP   4          1HB       TRP   4   0.023  -6.502  -3.461
   25   2HB   TRP   4          2HB       TRP   4   0.814  -8.066  -3.607
   26    HD1  TRP   4           HD1      TRP   4   0.703  -9.265  -6.046
   27    HE1  TRP   4           HE1      TRP   4   0.448  -8.253  -8.402
   28    HE3  TRP   4           HE3      TRP   4  -1.056  -4.632  -4.758
   29    HZ2  TRP   4           HZ2      TRP   4  -0.384  -5.824  -9.557
   30    HZ3  TRP   4           HZ3      TRP   4  -1.556  -3.025  -6.554
   31    HH2  TRP   4           HH2      TRP   4  -1.224  -3.608  -8.901
   32    H    THR   5           H        THR   5  -0.041 -10.063  -2.243
   33    HA   THR   5           HA       THR   5  -0.771  -9.232   0.483
   34    HB   THR   5           HB       THR   5   0.599 -11.809  -0.324
   35    HG1  THR   5           HG1      THR   5  -1.359 -11.962  -1.318
   36   1HG2  THR   5          1HG2      THR   5  -0.246 -12.603   1.839
   37   2HG2  THR   5          2HG2      THR   5  -0.968 -11.023   2.141
   38   3HG2  THR   5          3HG2      THR   5   0.786 -11.185   2.045
   39    H    LEU   6           H        LEU   6   0.663  -7.695   1.067
   40    HA   LEU   6           HA       LEU   6   3.376  -7.853  -0.014
   41   1HB   LEU   6          1HB       LEU   6   1.920  -5.554   1.289
   42   2HB   LEU   6          2HB       LEU   6   3.517  -5.474   0.567
   43    HG   LEU   6           HG       LEU   6   0.989  -6.128  -0.951
   44   1HD1  LEU   6          1HD1      LEU   6   0.968  -3.835  -0.127
   45   2HD1  LEU   6          2HD1      LEU   6   1.186  -3.885  -1.878
   46   3HD1  LEU   6          3HD1      LEU   6   2.566  -3.564  -0.824
   47   1HD2  LEU   6          1HD2      LEU   6   2.386  -5.783  -2.925
   48   2HD2  LEU   6          2HD2      LEU   6   3.010  -7.095  -1.924
   49   3HD2  LEU   6          3HD2      LEU   6   3.789  -5.513  -1.890
   50    H    ASP   7           H        ASP   7   5.042  -8.376   1.205
   51    HA   ASP   7           HA       ASP   7   4.783  -8.262   4.127
   52   1HB   ASP   7          1HB       ASP   7   5.641 -10.361   2.970
   53   2HB   ASP   7          2HB       ASP   7   7.067  -9.433   2.524
   54    H    ILE   8           H        ILE   8   5.109  -6.161   4.654
   55    HA   ILE   8           HA       ILE   8   7.412  -4.769   3.485
   56    HB   ILE   8           HB       ILE   8   4.984  -3.684   4.925
   57   1HG1  ILE   8          1HG1      ILE   8   4.533  -4.445   2.643
   58   2HG1  ILE   8          2HG1      ILE   8   4.453  -2.689   2.732
   59   1HG2  ILE   8          1HG2      ILE   8   6.932  -2.323   5.449
   60   2HG2  ILE   8          2HG2      ILE   8   5.842  -1.455   4.367
   61   3HG2  ILE   8          3HG2      ILE   8   7.317  -2.185   3.733
   62   1HD1  ILE   8          1HD1      ILE   8   5.571  -3.408   0.710
   63   2HD1  ILE   8          2HD1      ILE   8   6.751  -4.311   1.660
   64   3HD1  ILE   8          3HD1      ILE   8   6.696  -2.551   1.765
   65    HA   PRO   9           HA       PRO   9   9.612  -5.482   7.268
   66   1HB   PRO   9          1HB       PRO   9  11.311  -3.285   6.245
   67   2HB   PRO   9          2HB       PRO   9  11.749  -4.943   6.674
   68   1HG   PRO   9          1HG       PRO   9  11.635  -4.165   4.123
   69   2HG   PRO   9          2HG       PRO   9  11.103  -5.784   4.615
   70   1HD   PRO   9          1HD       PRO   9   9.463  -3.362   3.973
   71   2HD   PRO   9          2HD       PRO   9   9.182  -5.062   3.537
   72    H    ALA  10           H        ALA  10  10.135  -4.402   9.194
   73    HA   ALA  10           HA       ALA  10   8.707  -1.848   9.561
   74   1HB   ALA  10          1HB       ALA  10   8.461  -2.477  11.907
   75   2HB   ALA  10          2HB       ALA  10   9.354  -3.969  11.611
   76   3HB   ALA  10          3HB       ALA  10   7.781  -3.716  10.852
   77    H    GLN  11           H        GLN  11  11.511  -2.495   8.696
   78    HA   GLN  11           HA       GLN  11  13.052  -1.213  10.825
   79   1HB   GLN  11          1HB       GLN  11  15.018  -1.854   9.363
   80   2HB   GLN  11          2HB       GLN  11  14.106  -3.199  10.032
   81   1HG   GLN  11          1HG       GLN  11  12.881  -3.338   7.853
   82   2HG   GLN  11          2HG       GLN  11  14.018  -2.152   7.214
   83   1HE2  GLN  11          1HE2      GLN  11  13.525  -4.941   6.442
   84   2HE2  GLN  11          2HE2      GLN  11  15.051  -5.739   6.568
   85    H    SER  12           H        SER  12  15.047  -0.132   9.027
   86    HA   SER  12           HA       SER  12  14.136   2.431   8.609
   87   1HB   SER  12          1HB       SER  12  16.513   1.838   8.535
   88   2HB   SER  12          2HB       SER  12  16.260   0.943   7.036
   89    HG   SER  12           HG       SER  12  17.081   3.054   6.656
   90    H    MET  13           H        MET  13  12.958   3.449   7.136
   91    HA   MET  13           HA       MET  13  11.215   2.148   5.431
   92   1HB   MET  13          1HB       MET  13  10.980   4.487   6.269
   93   2HB   MET  13          2HB       MET  13  12.207   4.984   5.111
   94   1HG   MET  13          1HG       MET  13  10.780   4.278   3.273
   95   2HG   MET  13          2HG       MET  13   9.553   3.741   4.418
   96   1HE   MET  13          1HE       MET  13   8.423   7.129   6.027
   97   2HE   MET  13          2HE       MET  13   9.692   6.058   6.618
   98   3HE   MET  13          3HE       MET  13   8.188   5.381   5.995
   99    H    ASN  14           H        ASN  14  14.488   3.101   4.889
  100    HA   ASN  14           HA       ASN  14  14.799   3.026   2.158
  101   1HB   ASN  14          1HB       ASN  14  16.680   3.470   3.570
  102   2HB   ASN  14          2HB       ASN  14  16.528   1.918   4.380
  103   1HD2  ASN  14          1HD2      ASN  14  18.573   1.242   3.950
  104   2HD2  ASN  14          2HD2      ASN  14  19.133   0.833   2.362
  105    H    SER  15           H        SER  15  14.644   0.246   4.395
  106    HA   SER  15           HA       SER  15  14.928  -1.666   2.276
  107   1HB   SER  15          1HB       SER  15  13.993  -2.105   5.127
  108   2HB   SER  15          2HB       SER  15  14.630  -3.323   4.019
  109    HG   SER  15           HG       SER  15  16.628  -2.207   4.043
  110    H    ALA  16           H        ALA  16  12.289  -0.259   4.112
  111    HA   ALA  16           HA       ALA  16  10.249  -2.024   3.362
  112   1HB   ALA  16          1HB       ALA  16  10.017   0.894   4.058
  113   2HB   ALA  16          2HB       ALA  16  10.057  -0.443   5.209
  114   3HB   ALA  16          3HB       ALA  16   8.712  -0.290   4.079
  115    H    LEU  17           H        LEU  17  11.096   1.152   1.920
  116    HA   LEU  17           HA       LEU  17   9.048   1.053  -0.019
  117   1HB   LEU  17          1HB       LEU  17  11.635   2.599   0.021
  118   2HB   LEU  17          2HB       LEU  17  10.361   2.849  -1.158
  119    HG   LEU  17           HG       LEU  17  10.102   3.267   1.820
  120   1HD1  LEU  17          1HD1      LEU  17  11.488   4.966   0.765
  121   2HD1  LEU  17          2HD1      LEU  17   9.931   5.635   1.249
  122   3HD1  LEU  17          3HD1      LEU  17  10.237   5.251  -0.444
  123   1HD2  LEU  17          1HD2      LEU  17   8.146   3.756  -0.416
  124   2HD2  LEU  17          2HD2      LEU  17   7.928   4.254   1.262
  125   3HD2  LEU  17          3HD2      LEU  17   8.006   2.541   0.853
  126    H    GLN  18           H        GLN  18  12.475   0.155  -0.160
  127    HA   GLN  18           HA       GLN  18  12.491  -0.597  -2.867
  128   1HB   GLN  18          1HB       GLN  18  14.170  -1.568  -0.557
  129   2HB   GLN  18          2HB       GLN  18  14.491  -1.959  -2.239
  130   1HG   GLN  18          1HG       GLN  18  14.442   0.813  -1.072
  131   2HG   GLN  18          2HG       GLN  18  15.892  -0.127  -1.422
  132   1HE2  GLN  18          1HE2      GLN  18  16.483  -0.486  -3.553
  133   2HE2  GLN  18          2HE2      GLN  18  15.866   0.484  -4.852
  134    H    ALA  19           H        ALA  19  11.587  -2.352   0.052
  135    HA   ALA  19           HA       ALA  19  11.245  -4.885  -1.162
  136   1HB   ALA  19          1HB       ALA  19   9.921  -5.453   0.801
  137   2HB   ALA  19          2HB       ALA  19   9.836  -3.749   1.253
  138   3HB   ALA  19          3HB       ALA  19  11.386  -4.590   1.269
  139    H    LEU  20           H        LEU  20   9.089  -2.130  -0.680
  140    HA   LEU  20           HA       LEU  20   6.702  -3.422  -1.482
  141   1HB   LEU  20          1HB       LEU  20   6.707  -1.396  -0.134
  142   2HB   LEU  20          2HB       LEU  20   7.491  -0.507  -1.422
  143    HG   LEU  20           HG       LEU  20   5.477  -0.789  -2.821
  144   1HD1  LEU  20          1HD1      LEU  20   3.412  -1.613  -1.814
  145   2HD1  LEU  20          2HD1      LEU  20   4.290  -2.027  -0.343
  146   3HD1  LEU  20          3HD1      LEU  20   4.647  -2.871  -1.849
  147   1HD2  LEU  20          1HD2      LEU  20   5.769   1.207  -1.449
  148   2HD2  LEU  20          2HD2      LEU  20   4.962   0.403  -0.101
  149   3HD2  LEU  20          3HD2      LEU  20   4.066   0.765  -1.578
  150    H    ALA  21           H        ALA  21   9.193  -1.615  -3.142
  151    HA   ALA  21           HA       ALA  21   7.823  -1.164  -5.582
  152   1HB   ALA  21          1HB       ALA  21   9.807   0.116  -4.932
  153   2HB   ALA  21          2HB       ALA  21  10.027  -0.652  -6.504
  154   3HB   ALA  21          3HB       ALA  21  10.795  -1.339  -5.072
  155    H    LYS  22           H        LYS  22  10.220  -3.578  -4.607
  156    HA   LYS  22           HA       LYS  22  10.287  -4.925  -7.072
  157   1HB   LYS  22          1HB       LYS  22  12.052  -5.050  -5.322
  158   2HB   LYS  22          2HB       LYS  22  10.975  -6.044  -4.352
  159   1HG   LYS  22          1HG       LYS  22  12.577  -7.427  -5.512
  160   2HG   LYS  22          2HG       LYS  22  10.952  -7.733  -6.129
  161   1HD   LYS  22          1HD       LYS  22  12.357  -7.615  -8.030
  162   2HD   LYS  22          2HD       LYS  22  11.486  -6.082  -7.973
  163   1HE   LYS  22          1HE       LYS  22  13.778  -5.630  -8.493
  164   2HE   LYS  22          2HE       LYS  22  13.460  -5.069  -6.852
  165   1HZ   LYS  22          1HZ       LYS  22  14.639  -7.728  -7.419
  166   2HZ   LYS  22          2HZ       LYS  22  14.618  -6.885  -5.941
  167   3HZ   LYS  22          3HZ       LYS  22  15.590  -6.338  -7.219
  168    H    GLN  23           H        GLN  23   8.141  -5.234  -4.324
  169    HA   GLN  23           HA       GLN  23   7.212  -7.847  -5.093
  170   1HB   GLN  23          1HB       GLN  23   6.232  -5.890  -3.019
  171   2HB   GLN  23          2HB       GLN  23   5.482  -7.455  -3.300
  172   1HG   GLN  23          1HG       GLN  23   7.573  -8.571  -2.730
  173   2HG   GLN  23          2HG       GLN  23   8.343  -7.008  -2.472
  174   1HE2  GLN  23          1HE2      GLN  23   8.828  -7.421  -0.339
  175   2HE2  GLN  23          2HE2      GLN  23   7.620  -7.472   0.904
  176    H    THR  24           H        THR  24   6.308  -4.596  -5.878
  177    HA   THR  24           HA       THR  24   3.859  -5.644  -7.139
  178    HB   THR  24           HB       THR  24   3.078  -3.227  -7.087
  179    HG1  THR  24           HG1      THR  24   5.064  -2.954  -5.056
  180   1HG2  THR  24          1HG2      THR  24   2.322  -3.359  -4.770
  181   2HG2  THR  24          2HG2      THR  24   3.528  -4.604  -4.439
  182   3HG2  THR  24          3HG2      THR  24   2.206  -4.931  -5.560
  183    H    ASP  25           H        ASP  25   6.834  -5.116  -7.973
  184    HA   ASP  25           HA       ASP  25   8.004  -4.526  -9.832
  185   1HB   ASP  25          1HB       ASP  25   5.320  -4.669 -11.226
  186   2HB   ASP  25          2HB       ASP  25   6.900  -4.733 -11.995
  187    H    THR  26           H        THR  26   7.138  -2.396  -8.200
  188    HA   THR  26           HA       THR  26   6.339  -0.315 -10.112
  189    HB   THR  26           HB       THR  26   5.859   1.014  -7.991
  190    HG1  THR  26           HG1      THR  26   5.457  -1.271  -6.529
  191   1HG2  THR  26          1HG2      THR  26   4.266  -1.503  -8.505
  192   2HG2  THR  26          2HG2      THR  26   4.084   0.028  -9.358
  193   3HG2  THR  26          3HG2      THR  26   3.688  -0.077  -7.645
  194    H    GLN  27           H        GLN  27   7.147   1.928  -9.272
  195    HA   GLN  27           HA       GLN  27  10.041   1.748  -8.748
  196   1HB   GLN  27          1HB       GLN  27   9.616   2.338 -11.084
  197   2HB   GLN  27          2HB       GLN  27   8.548   3.638 -10.581
  198   1HG   GLN  27          1HG       GLN  27  10.522   4.682  -9.441
  199   2HG   GLN  27          2HG       GLN  27  11.523   3.462 -10.228
  200   1HE2  GLN  27          1HE2      GLN  27  12.650   4.991 -11.411
  201   2HE2  GLN  27          2HE2      GLN  27  11.945   5.849 -12.739
  202    H    LEU  28           H        LEU  28  10.681   2.857  -6.986
  203    HA   LEU  28           HA       LEU  28   8.804   4.814  -5.842
  204   1HB   LEU  28          1HB       LEU  28  10.697   2.863  -4.670
  205   2HB   LEU  28          2HB       LEU  28  10.591   4.409  -3.863
  206    HG   LEU  28           HG       LEU  28   9.130   2.850  -2.772
  207   1HD1  LEU  28          1HD1      LEU  28   8.381   5.172  -2.931
  208   2HD1  LEU  28          2HD1      LEU  28   7.024   4.045  -2.894
  209   3HD1  LEU  28          3HD1      LEU  28   7.513   4.787  -4.416
  210   1HD2  LEU  28          1HD2      LEU  28   8.810   1.302  -4.627
  211   2HD2  LEU  28          2HD2      LEU  28   7.793   2.488  -5.446
  212   3HD2  LEU  28          3HD2      LEU  28   7.269   1.782  -3.918
  213    H    LEU  29           H        LEU  29   9.306   6.869  -6.102
  214    HA   LEU  29           HA       LEU  29  12.133   7.626  -6.387
  215   1HB   LEU  29          1HB       LEU  29   9.627   9.125  -7.162
  216   2HB   LEU  29          2HB       LEU  29  11.258   9.720  -7.360
  217    HG   LEU  29           HG       LEU  29  10.051   7.348  -8.776
  218   1HD1  LEU  29          1HD1      LEU  29  10.264   8.721 -10.771
  219   2HD1  LEU  29          2HD1      LEU  29  10.901  10.048  -9.806
  220   3HD1  LEU  29          3HD1      LEU  29   9.241   9.512  -9.574
  221   1HD2  LEU  29          1HD2      LEU  29  12.431   7.012  -8.295
  222   2HD2  LEU  29          2HD2      LEU  29  12.801   8.561  -9.053
  223   3HD2  LEU  29          3HD2      LEU  29  12.141   7.241 -10.019
  224    H    TYR  30           H        TYR  30  12.973   8.273  -4.516
  225    HA   TYR  30           HA       TYR  30  11.628  10.245  -2.893
  226   1HB   TYR  30          1HB       TYR  30  11.661   8.910  -0.832
  227   2HB   TYR  30          2HB       TYR  30  10.629   8.160  -2.044
  228    HD1  TYR  30           HD1      TYR  30  11.353   6.088  -3.179
  229    HD2  TYR  30           HD2      TYR  30  13.662   7.823  -0.054
  230    HE1  TYR  30           HE1      TYR  30  12.595   3.978  -2.932
  231    HE2  TYR  30           HE2      TYR  30  14.909   5.722   0.200
  232    HH   TYR  30           HH       TYR  30  14.655   3.139  -2.072
  233    H    SER  31           H        SER  31  13.020  11.006  -1.130
  234    HA   SER  31           HA       SER  31  15.859  10.369  -1.575
  235   1HB   SER  31          1HB       SER  31  14.710  13.007  -0.635
  236   2HB   SER  31          2HB       SER  31  16.385  12.674  -1.078
  237    HG   SER  31           HG       SER  31  14.105  12.863  -2.734
  238    HA   PRO  32           HA       PRO  32  15.941   8.890   2.567
  239   1HB   PRO  32          1HB       PRO  32  18.673  10.033   2.711
  240   2HB   PRO  32          2HB       PRO  32  18.134   8.368   2.944
  241   1HG   PRO  32          1HG       PRO  32  19.433   9.083   0.732
  242   2HG   PRO  32          2HG       PRO  32  18.096   7.918   0.674
  243   1HD   PRO  32          1HD       PRO  32  18.119  10.817  -0.073
  244   2HD   PRO  32          2HD       PRO  32  17.313   9.451  -0.874
  245    H    GLU  33           H        GLU  33  16.722  12.181   1.827
  246    HA   GLU  33           HA       GLU  33  16.815  13.123   4.518
  247   1HB   GLU  33          1HB       GLU  33  16.658  15.370   3.457
  248   2HB   GLU  33          2HB       GLU  33  17.966  14.376   2.836
  249   1HG   GLU  33          1HG       GLU  33  16.634  13.828   0.872
  250   2HG   GLU  33          2HG       GLU  33  15.301  14.795   1.505
  251    H    ASP  34           H        ASP  34  14.272  12.166   2.473
  252    HA   ASP  34           HA       ASP  34  12.309  13.943   3.714
  253   1HB   ASP  34          1HB       ASP  34  11.834  11.740   1.686
  254   2HB   ASP  34          2HB       ASP  34  10.685  12.975   2.180
  255    H    ILE  35           H        ILE  35  13.744  10.952   4.215
  256    HA   ILE  35           HA       ILE  35  11.361   9.856   5.557
  257    HB   ILE  35           HB       ILE  35  12.269   7.648   5.306
  258   1HG1  ILE  35          1HG1      ILE  35  14.681   8.931   4.006
  259   2HG1  ILE  35          2HG1      ILE  35  14.654   8.239   5.625
  260   1HG2  ILE  35          1HG2      ILE  35  12.319   7.447   2.857
  261   2HG2  ILE  35          2HG2      ILE  35  12.510   9.196   2.730
  262   3HG2  ILE  35          3HG2      ILE  35  11.031   8.517   3.411
  263   1HD1  ILE  35          1HD1      ILE  35  15.665   6.722   4.022
  264   2HD1  ILE  35          2HD1      ILE  35  14.186   6.732   3.062
  265   3HD1  ILE  35          3HD1      ILE  35  14.181   6.044   4.684
  266    H    GLY  36           H        GLY  36  14.419  11.200   6.086
  267   1HA   GLY  36          1HA       GLY  36  15.453  11.782   8.046
  268   2HA   GLY  36          2HA       GLY  36  14.019  11.226   8.884
  269    H    GLY  37           H        GLY  37  15.233   8.744   7.002
  270   1HA   GLY  37          1HA       GLY  37  16.387   6.818   7.479
  271   2HA   GLY  37          2HA       GLY  37  17.320   7.760   8.636
  272    H    LEU  38           H        LEU  38  13.828   7.276   8.693
  273    HA   LEU  38           HA       LEU  38  14.158   5.983  11.304
  274   1HB   LEU  38          1HB       LEU  38  11.728   6.574  11.628
  275   2HB   LEU  38          2HB       LEU  38  12.852   7.912  11.591
  276    HG   LEU  38           HG       LEU  38  12.166   8.261   9.168
  277   1HD1  LEU  38          1HD1      LEU  38  11.136   6.073   8.786
  278   2HD1  LEU  38          2HD1      LEU  38  10.005   7.392   8.484
  279   3HD1  LEU  38          3HD1      LEU  38   9.892   6.455   9.976
  280   1HD2  LEU  38          1HD2      LEU  38  10.126   9.458   9.797
  281   2HD2  LEU  38          2HD2      LEU  38  11.424   9.711  10.963
  282   3HD2  LEU  38          3HD2      LEU  38  10.105   8.602  11.337
  283    H    ARG  39           H        ARG  39  12.308   4.444  11.842
  284    HA   ARG  39           HA       ARG  39  12.209   2.484   9.690
  285   1HB   ARG  39          1HB       ARG  39  11.477   0.916  11.465
  286   2HB   ARG  39          2HB       ARG  39  13.039   1.655  11.785
  287   1HG   ARG  39          1HG       ARG  39  11.748   3.329  13.220
  288   2HG   ARG  39          2HG       ARG  39  10.407   2.183  13.110
  289   1HD   ARG  39          1HD       ARG  39  11.784   1.835  15.133
  290   2HD   ARG  39          2HD       ARG  39  11.780   0.431  14.064
  291    HE   ARG  39           HE       ARG  39  13.968   2.243  13.594
  292   1HH1  ARG  39          1HH1      ARG  39  12.892  -0.485  15.530
  293   2HH1  ARG  39          2HH1      ARG  39  14.502  -1.061  15.823
  294   1HH2  ARG  39          1HH2      ARG  39  16.073   1.460  13.947
  295   2HH2  ARG  39          2HH2      ARG  39  16.316   0.032  14.912
  296    H    SER  40           H        SER  40  10.397   1.714   8.813
  297    HA   SER  40           HA       SER  40   8.034   3.360   9.110
  298   1HB   SER  40          1HB       SER  40   7.277   1.881   7.138
  299   2HB   SER  40          2HB       SER  40   8.627   2.983   6.861
  300    HG   SER  40           HG       SER  40   8.818   0.210   7.475
  301    H    SER  41           H        SER  41   5.885   2.220   9.019
  302    HA   SER  41           HA       SER  41   5.775   0.290  11.167
  303   1HB   SER  41          1HB       SER  41   3.474   1.483   9.595
  304   2HB   SER  41          2HB       SER  41   3.411   0.737  11.193
  305    HG   SER  41           HG       SER  41   3.778   2.650  11.960
  306    H    ALA  42           H        ALA  42   5.433  -1.818  10.930
  307    HA   ALA  42           HA       ALA  42   5.810  -3.117   8.491
  308   1HB   ALA  42          1HB       ALA  42   4.569  -4.193  11.023
  309   2HB   ALA  42          2HB       ALA  42   6.286  -4.177  10.630
  310   3HB   ALA  42          3HB       ALA  42   5.177  -5.165   9.683
  311    H    LEU  43           H        LEU  43   4.456  -2.762   6.840
  312    HA   LEU  43           HA       LEU  43   1.570  -3.026   7.308
  313   1HB   LEU  43          1HB       LEU  43   2.792  -1.017   6.077
  314   2HB   LEU  43          2HB       LEU  43   2.735  -2.106   4.707
  315    HG   LEU  43           HG       LEU  43   0.877  -0.510   4.684
  316   1HD1  LEU  43          1HD1      LEU  43  -0.944  -2.064   4.339
  317   2HD1  LEU  43          2HD1      LEU  43  -0.081  -3.313   5.233
  318   3HD1  LEU  43          3HD1      LEU  43   0.553  -2.732   3.692
  319   1HD2  LEU  43          1HD2      LEU  43  -0.888  -0.640   6.371
  320   2HD2  LEU  43          2HD2      LEU  43   0.658  -0.153   7.071
  321   3HD2  LEU  43          3HD2      LEU  43   0.078  -1.805   7.283
  322    H    LYS  44           H        LYS  44   1.646  -5.303   7.439
  323    HA   LYS  44           HA       LYS  44   2.161  -6.624   4.865
  324   1HB   LYS  44          1HB       LYS  44   3.688  -7.473   6.520
  325   2HB   LYS  44          2HB       LYS  44   2.379  -7.735   7.664
  326   1HG   LYS  44          1HG       LYS  44   1.758  -9.684   6.719
  327   2HG   LYS  44          2HG       LYS  44   2.119  -9.132   5.083
  328   1HD   LYS  44          1HD       LYS  44   3.605 -10.953   5.814
  329   2HD   LYS  44          2HD       LYS  44   4.488  -9.467   5.458
  330   1HE   LYS  44          1HE       LYS  44   4.473  -8.956   7.897
  331   2HE   LYS  44          2HE       LYS  44   3.751 -10.543   8.174
  332   1HZ   LYS  44          1HZ       LYS  44   6.180 -10.518   8.461
  333   2HZ   LYS  44          2HZ       LYS  44   6.361 -10.094   6.825
  334   3HZ   LYS  44          3HZ       LYS  44   5.680 -11.589   7.248
  335    H    GLY  45           H        GLY  45   0.308  -6.753   3.870
  336   1HA   GLY  45          1HA       GLY  45  -1.824  -8.333   4.917
  337   2HA   GLY  45          2HA       GLY  45  -2.233  -6.621   4.888
  338    H    ARG  46           H        ARG  46  -3.904  -7.339   3.363
  339    HA   ARG  46           HA       ARG  46  -2.777  -7.583   0.651
  340   1HB   ARG  46          1HB       ARG  46  -3.799  -9.707   1.380
  341   2HB   ARG  46          2HB       ARG  46  -5.318  -8.869   1.671
  342   1HG   ARG  46          1HG       ARG  46  -5.593  -8.415  -0.658
  343   2HG   ARG  46          2HG       ARG  46  -3.970  -9.007  -1.019
  344   1HD   ARG  46          1HD       ARG  46  -6.239 -10.658   0.083
  345   2HD   ARG  46          2HD       ARG  46  -5.687 -10.655  -1.593
  346    HE   ARG  46           HE       ARG  46  -3.451 -11.368  -0.492
  347   1HH1  ARG  46          1HH1      ARG  46  -6.636 -12.299   0.616
  348   2HH1  ARG  46          2HH1      ARG  46  -6.114 -13.834   1.227
  349   1HH2  ARG  46          1HH2      ARG  46  -2.754 -13.371   0.334
  350   2HH2  ARG  46          2HH2      ARG  46  -3.902 -14.456   1.064
  351    H    HIS  47           H        HIS  47  -3.001  -5.606  -0.147
  352    HA   HIS  47           HA       HIS  47  -5.694  -4.473  -0.320
  353   1HB   HIS  47          1HB       HIS  47  -3.249  -2.967   0.642
  354   2HB   HIS  47          2HB       HIS  47  -4.696  -2.168   0.049
  355    HD1  HIS  47           HD1      HIS  47  -6.660  -1.949   1.648
  356    HD2  HIS  47           HD2      HIS  47  -3.557  -4.283   3.150
  357    HE1  HIS  47           HE1      HIS  47  -7.162  -2.260   4.094
  358    HE2  HIS  47           HE2      HIS  47  -5.276  -3.677   4.990
  359    H    ASP  48           H        ASP  48  -5.699  -2.639  -1.974
  360    HA   ASP  48           HA       ASP  48  -4.304  -3.366  -4.349
  361   1HB   ASP  48          1HB       ASP  48  -5.836  -0.854  -3.639
  362   2HB   ASP  48          2HB       ASP  48  -5.150  -1.153  -5.228
  363    H    LEU  49           H        LEU  49  -2.970  -1.638  -5.564
  364    HA   LEU  49           HA       LEU  49  -0.601  -1.158  -4.157
  365   1HB   LEU  49          1HB       LEU  49  -0.710  -1.330  -6.598
  366   2HB   LEU  49          2HB       LEU  49  -1.606   0.172  -6.677
  367    HG   LEU  49           HG       LEU  49   0.361   1.369  -5.765
  368   1HD1  LEU  49          1HD1      LEU  49   2.517   0.229  -5.671
  369   2HD1  LEU  49          2HD1      LEU  49   1.731  -1.303  -6.052
  370   3HD1  LEU  49          3HD1      LEU  49   1.370  -0.480  -4.534
  371   1HD2  LEU  49          1HD2      LEU  49   1.705   1.241  -7.789
  372   2HD2  LEU  49          2HD2      LEU  49  -0.014   1.215  -8.179
  373   3HD2  LEU  49          3HD2      LEU  49   0.925  -0.276  -8.228
  374    H    GLN  50           H        GLN  50  -3.027   1.197  -5.265
  375    HA   GLN  50           HA       GLN  50  -1.855   3.441  -4.029
  376   1HB   GLN  50          1HB       GLN  50  -3.488   3.561  -5.874
  377   2HB   GLN  50          2HB       GLN  50  -4.743   2.980  -4.790
  378   1HG   GLN  50          1HG       GLN  50  -4.457   4.987  -3.411
  379   2HG   GLN  50          2HG       GLN  50  -3.238   5.572  -4.543
  380   1HE2  GLN  50          1HE2      GLN  50  -6.103   3.826  -5.507
  381   2HE2  GLN  50          2HE2      GLN  50  -6.872   5.149  -6.315
  382    H    SER  51           H        SER  51  -4.211   1.098  -2.917
  383    HA   SER  51           HA       SER  51  -5.046   2.400  -0.574
  384   1HB   SER  51          1HB       SER  51  -6.220   0.455  -1.519
  385   2HB   SER  51          2HB       SER  51  -4.833  -0.570  -1.158
  386    HG   SER  51           HG       SER  51  -6.741   0.548   0.568
  387    H    SER  52           H        SER  52  -2.499  -0.039  -1.088
  388    HA   SER  52           HA       SER  52  -1.630  -0.180   1.575
  389   1HB   SER  52          1HB       SER  52  -0.005  -0.672  -0.932
  390   2HB   SER  52          2HB       SER  52   0.347  -1.288   0.682
  391    HG   SER  52           HG       SER  52  -1.653  -2.056  -1.131
  392    H    LEU  53           H        LEU  53  -0.594   1.857  -1.117
  393    HA   LEU  53           HA       LEU  53   1.647   3.043   0.043
  394   1HB   LEU  53          1HB       LEU  53  -0.340   4.170  -1.924
  395   2HB   LEU  53          2HB       LEU  53   1.183   4.937  -1.521
  396    HG   LEU  53           HG       LEU  53   0.931   2.201  -2.769
  397   1HD1  LEU  53          1HD1      LEU  53   1.628   4.858  -4.013
  398   2HD1  LEU  53          2HD1      LEU  53   0.147   3.939  -4.287
  399   3HD1  LEU  53          3HD1      LEU  53   1.699   3.291  -4.819
  400   1HD2  LEU  53          1HD2      LEU  53   3.314   3.990  -2.320
  401   2HD2  LEU  53          2HD2      LEU  53   3.327   2.442  -3.166
  402   3HD2  LEU  53          3HD2      LEU  53   2.953   2.505  -1.442
  403    H    ARG  54           H        ARG  54  -1.762   4.031   0.181
  404    HA   ARG  54           HA       ARG  54  -1.255   6.477   1.518
  405   1HB   ARG  54          1HB       ARG  54  -3.327   5.984   0.233
  406   2HB   ARG  54          2HB       ARG  54  -3.815   4.877   1.508
  407   1HG   ARG  54          1HG       ARG  54  -3.926   6.685   3.100
  408   2HG   ARG  54          2HG       ARG  54  -3.301   7.816   1.900
  409   1HD   ARG  54          1HD       ARG  54  -5.675   8.094   2.039
  410   2HD   ARG  54          2HD       ARG  54  -5.289   7.337   0.494
  411    HE   ARG  54           HE       ARG  54  -6.189   5.731   2.797
  412   1HH1  ARG  54          1HH1      ARG  54  -6.584   6.821  -0.506
  413   2HH1  ARG  54          2HH1      ARG  54  -7.847   5.686  -0.875
  414   1HH2  ARG  54          1HH2      ARG  54  -7.833   4.238   2.333
  415   2HH2  ARG  54          2HH2      ARG  54  -8.538   4.180   0.744
  416    H    ILE  55           H        ILE  55  -2.281   3.283   2.677
  417    HA   ILE  55           HA       ILE  55  -2.719   4.002   5.350
  418    HB   ILE  55           HB       ILE  55  -1.843   1.309   4.293
  419   1HG1  ILE  55          1HG1      ILE  55  -3.843   2.127   3.136
  420   2HG1  ILE  55          2HG1      ILE  55  -4.244   0.780   4.195
  421   1HG2  ILE  55          1HG2      ILE  55  -1.632   1.488   6.718
  422   2HG2  ILE  55          2HG2      ILE  55  -2.939   0.392   6.271
  423   3HG2  ILE  55          3HG2      ILE  55  -3.309   2.024   6.829
  424   1HD1  ILE  55          1HD1      ILE  55  -5.108   2.356   5.855
  425   2HD1  ILE  55          2HD1      ILE  55  -5.935   2.506   4.305
  426   3HD1  ILE  55          3HD1      ILE  55  -4.722   3.694   4.775
  427    H    LEU  56           H        LEU  56   0.220   3.255   3.627
  428    HA   LEU  56           HA       LEU  56   1.767   2.876   6.038
  429   1HB   LEU  56          1HB       LEU  56   2.074   1.740   3.738
  430   2HB   LEU  56          2HB       LEU  56   2.883   3.220   3.270
  431    HG   LEU  56           HG       LEU  56   3.766   1.541   5.619
  432   1HD1  LEU  56          1HD1      LEU  56   4.769   1.487   2.774
  433   2HD1  LEU  56          2HD1      LEU  56   3.890   0.197   3.596
  434   3HD1  LEU  56          3HD1      LEU  56   5.503   0.651   4.143
  435   1HD2  LEU  56          1HD2      LEU  56   5.190   3.667   4.013
  436   2HD2  LEU  56          2HD2      LEU  56   5.874   2.745   5.353
  437   3HD2  LEU  56          3HD2      LEU  56   4.540   3.863   5.641
  438    H    LEU  57           H        LEU  57   1.952   5.220   3.317
  439    HA   LEU  57           HA       LEU  57   4.003   6.679   4.644
  440   1HB   LEU  57          1HB       LEU  57   2.443   7.147   2.136
  441   2HB   LEU  57          2HB       LEU  57   3.511   8.386   2.764
  442    HG   LEU  57           HG       LEU  57   5.350   6.610   2.705
  443   1HD1  LEU  57          1HD1      LEU  57   3.945   4.653   2.490
  444   2HD1  LEU  57          2HD1      LEU  57   5.032   4.793   1.104
  445   3HD1  LEU  57          3HD1      LEU  57   3.331   5.239   0.943
  446   1HD2  LEU  57          1HD2      LEU  57   5.809   7.007   0.352
  447   2HD2  LEU  57          2HD2      LEU  57   5.216   8.475   1.129
  448   3HD2  LEU  57          3HD2      LEU  57   4.143   7.525   0.101
  449    H    GLN  58           H        GLN  58   0.520   7.125   4.449
  450    HA   GLN  58           HA       GLN  58   0.206   9.724   5.256
  451   1HB   GLN  58          1HB       GLN  58  -1.648   8.156   4.769
  452   2HB   GLN  58          2HB       GLN  58  -1.365   7.369   6.314
  453   1HG   GLN  58          1HG       GLN  58  -1.869   9.513   7.444
  454   2HG   GLN  58          2HG       GLN  58  -2.279  10.200   5.871
  455   1HE2  GLN  58          1HE2      GLN  58  -3.228   8.004   8.383
  456   2HE2  GLN  58          2HE2      GLN  58  -4.844   7.721   7.810
  457    H    GLY  59           H        GLY  59   0.890   6.934   7.338
  458   1HA   GLY  59          1HA       GLY  59   0.676   8.348   9.786
  459   2HA   GLY  59          2HA       GLY  59   1.457   6.791   9.561
  460    H    THR  60           H        THR  60   3.298   7.944   7.524
  461    HA   THR  60           HA       THR  60   5.232   8.968   9.440
  462    HB   THR  60           HB       THR  60   6.828   8.691   7.459
  463    HG1  THR  60           HG1      THR  60   4.908   8.536   5.967
  464   1HG2  THR  60          1HG2      THR  60   6.736   7.115   9.317
  465   2HG2  THR  60          2HG2      THR  60   6.963   6.256   7.794
  466   3HG2  THR  60          3HG2      THR  60   5.376   6.283   8.562
  467    H    GLY  61           H        GLY  61   2.972  10.586   8.065
  468   1HA   GLY  61          1HA       GLY  61   2.691  12.770   7.471
  469   2HA   GLY  61          2HA       GLY  61   4.254  13.041   8.216
  470    H    LEU  62           H        LEU  62   3.497  11.146   5.311
  471    HA   LEU  62           HA       LEU  62   4.994  13.140   3.745
  472   1HB   LEU  62          1HB       LEU  62   5.238  10.135   3.521
  473   2HB   LEU  62          2HB       LEU  62   5.961  11.288   2.413
  474    HG   LEU  62           HG       LEU  62   6.625  11.088   5.352
  475   1HD1  LEU  62          1HD1      LEU  62   8.153  10.137   2.935
  476   2HD1  LEU  62          2HD1      LEU  62   7.375   9.114   4.141
  477   3HD1  LEU  62          3HD1      LEU  62   8.743  10.127   4.595
  478   1HD2  LEU  62          1HD2      LEU  62   8.471  12.583   4.793
  479   2HD2  LEU  62          2HD2      LEU  62   6.918  13.332   4.423
  480   3HD2  LEU  62          3HD2      LEU  62   7.907  12.667   3.124
  481    H    ARG  63           H        ARG  63   4.577  12.902   1.355
  482    HA   ARG  63           HA       ARG  63   1.754  12.158   0.950
  483   1HB   ARG  63          1HB       ARG  63   2.044  14.569   0.734
  484   2HB   ARG  63          2HB       ARG  63   3.357  14.333  -0.415
  485   1HG   ARG  63          1HG       ARG  63   1.762  13.245  -1.960
  486   2HG   ARG  63          2HG       ARG  63   0.462  13.609  -0.828
  487   1HD   ARG  63          1HD       ARG  63   0.831  15.976  -1.103
  488   2HD   ARG  63          2HD       ARG  63   2.241  15.672  -2.118
  489    HE   ARG  63           HE       ARG  63   0.282  14.377  -3.444
  490   1HH1  ARG  63          1HH1      ARG  63   0.514  17.640  -2.189
  491   2HH1  ARG  63          2HH1      ARG  63  -0.553  18.307  -3.389
  492   1HH2  ARG  63          1HH2      ARG  63  -1.062  15.266  -5.060
  493   2HH2  ARG  63          2HH2      ARG  63  -1.439  16.963  -5.016
  494    H    TYR  64           H        TYR  64   1.364  10.619  -0.484
  495    HA   TYR  64           HA       TYR  64   3.572   9.761  -2.207
  496   1HB   TYR  64          1HB       TYR  64   2.568   7.614  -2.341
  497   2HB   TYR  64          2HB       TYR  64   2.473   8.093  -0.655
  498    HD1  TYR  64           HD1      TYR  64   0.221   9.058   0.168
  499    HD2  TYR  64           HD2      TYR  64   0.667   6.916  -3.482
  500    HE1  TYR  64           HE1      TYR  64  -2.195   8.595   0.145
  501    HE2  TYR  64           HE2      TYR  64  -1.744   6.449  -3.513
  502    HH   TYR  64           HH       TYR  64  -3.602   6.305  -1.943
  503    H    GLN  65           H        GLN  65   3.550  10.487  -4.220
  504    HA   GLN  65           HA       GLN  65   0.952  10.866  -5.532
  505   1HB   GLN  65          1HB       GLN  65   2.488  12.762  -5.668
  506   2HB   GLN  65          2HB       GLN  65   3.721  11.733  -6.383
  507   1HG   GLN  65          1HG       GLN  65   2.468  11.466  -8.375
  508   2HG   GLN  65          2HG       GLN  65   1.038  12.198  -7.649
  509   1HE2  GLN  65          1HE2      GLN  65   0.930  14.412  -7.407
  510   2HE2  GLN  65          2HE2      GLN  65   2.009  15.494  -8.224
  511    H    ILE  66           H        ILE  66   0.220   9.137  -6.548
  512    HA   ILE  66           HA       ILE  66   2.140   7.196  -7.603
  513    HB   ILE  66           HB       ILE  66   0.601   6.189  -6.076
  514   1HG1  ILE  66          1HG1      ILE  66  -0.239   5.537  -8.909
  515   2HG1  ILE  66          2HG1      ILE  66   1.154   4.867  -8.069
  516   1HG2  ILE  66          1HG2      ILE  66  -1.155   7.871  -6.126
  517   2HG2  ILE  66          2HG2      ILE  66  -1.822   6.255  -6.361
  518   3HG2  ILE  66          3HG2      ILE  66  -1.633   7.341  -7.739
  519   1HD1  ILE  66          1HD1      ILE  66  -0.694   3.298  -8.107
  520   2HD1  ILE  66          2HD1      ILE  66  -1.727   4.476  -7.295
  521   3HD1  ILE  66          3HD1      ILE  66  -0.331   3.801  -6.455
  522    H    ASP  67           H        ASP  67   2.466   7.066  -9.711
  523    HA   ASP  67           HA       ASP  67   0.343   7.905 -11.559
  524   1HB   ASP  67          1HB       ASP  67   2.063   9.747 -11.149
  525   2HB   ASP  67          2HB       ASP  67   3.238   8.698 -11.939
  526    H    GLY  68           H        GLY  68  -0.099   6.056 -12.593
  527   1HA   GLY  68          1HA       GLY  68   0.177   4.071 -13.714
  528   2HA   GLY  68          2HA       GLY  68   1.773   4.658 -14.163
  529    H    ASN  69           H        ASN  69   3.472   3.618 -13.378
  530    HA   ASN  69           HA       ASN  69   3.060   1.816 -11.074
  531   1HB   ASN  69          1HB       ASN  69   4.921   1.565 -13.443
  532   2HB   ASN  69          2HB       ASN  69   5.086   0.581 -11.994
  533   1HD2  ASN  69          1HD2      ASN  69   3.592  -1.031 -11.578
  534   2HD2  ASN  69          2HD2      ASN  69   2.462  -1.580 -12.769
  535    H    THR  70           H        THR  70   4.076   4.731 -11.660
  536    HA   THR  70           HA       THR  70   6.600   4.553 -10.165
  537    HB   THR  70           HB       THR  70   5.522   6.820 -11.859
  538    HG1  THR  70           HG1      THR  70   7.855   5.418 -12.530
  539   1HG2  THR  70          1HG2      THR  70   8.224   6.483 -10.540
  540   2HG2  THR  70          2HG2      THR  70   6.970   7.619 -10.046
  541   3HG2  THR  70          3HG2      THR  70   7.756   7.803 -11.613
  542    H    VAL  71           H        VAL  71   6.721   5.378  -8.168
  543    HA   VAL  71           HA       VAL  71   4.456   6.998  -7.199
  544    HB   VAL  71           HB       VAL  71   6.169   5.140  -5.532
  545   1HG1  VAL  71          1HG1      VAL  71   5.273   7.017  -4.276
  546   2HG1  VAL  71          2HG1      VAL  71   4.463   5.520  -3.806
  547   3HG1  VAL  71          3HG1      VAL  71   3.649   6.665  -4.874
  548   1HG2  VAL  71          1HG2      VAL  71   4.173   3.695  -5.409
  549   2HG2  VAL  71          2HG2      VAL  71   4.810   3.824  -7.048
  550   3HG2  VAL  71          3HG2      VAL  71   3.371   4.732  -6.589
  551    H    THR  72           H        THR  72   4.971   8.979  -6.543
  552    HA   THR  72           HA       THR  72   7.815   9.606  -6.109
  553    HB   THR  72           HB       THR  72   5.590  11.550  -6.770
  554    HG1  THR  72           HG1      THR  72   6.763   9.741  -8.355
  555   1HG2  THR  72          1HG2      THR  72   8.597  11.808  -6.943
  556   2HG2  THR  72          2HG2      THR  72   7.579  12.521  -5.691
  557   3HG2  THR  72          3HG2      THR  72   7.419  13.051  -7.365
  558    H    VAL  73           H        VAL  73   8.361   9.842  -4.047
  559    HA   VAL  73           HA       VAL  73   6.333  10.432  -2.042
  560    HB   VAL  73           HB       VAL  73   9.289   9.875  -1.689
  561   1HG1  VAL  73          1HG1      VAL  73   8.369  11.126   0.177
  562   2HG1  VAL  73          2HG1      VAL  73   8.701   9.464   0.661
  563   3HG1  VAL  73          3HG1      VAL  73   7.045   9.970   0.327
  564   1HG2  VAL  73          1HG2      VAL  73   8.131   7.959  -2.651
  565   2HG2  VAL  73          2HG2      VAL  73   6.920   8.033  -1.373
  566   3HG2  VAL  73          3HG2      VAL  73   8.592   7.636  -0.979
  567    H    THR  74           H        THR  74   5.867  12.449  -1.552
  568    HA   THR  74           HA       THR  74   7.901  14.535  -1.970
  569    HB   THR  74           HB       THR  74   4.896  14.855  -1.767
  570    HG1  THR  74           HG1      THR  74   6.355  13.920  -3.789
  571   1HG2  THR  74          1HG2      THR  74   5.303  17.081  -2.678
  572   2HG2  THR  74          2HG2      THR  74   7.038  16.764  -2.711
  573   3HG2  THR  74          3HG2      THR  74   6.188  16.859  -1.169
  574    H    ALA  75           H        ALA  75   8.552  15.751  -0.254
  575    HA   ALA  75           HA       ALA  75   7.772  15.013   2.381
  576   1HB   ALA  75          1HB       ALA  75   9.292  16.742   3.128
  577   2HB   ALA  75          2HB       ALA  75   9.371  17.419   1.504
  578   3HB   ALA  75          3HB       ALA  75  10.044  15.821   1.827
  579    H    SER  76           H        SER  76   6.212  15.813   3.605
  580    HA   SER  76           HA       SER  76   4.198  17.453   2.549
  581   1HB   SER  76          1HB       SER  76   4.729  16.755   5.444
  582   2HB   SER  76          2HB       SER  76   3.197  17.314   4.770
  583    HG   SER  76           HG       SER  76   4.176  14.824   4.877
  584    H    ALA  77           H        ALA  77   3.836  19.558   2.584
  585    HA   ALA  77           HA       ALA  77   4.714  21.432   4.465
  586   1HB   ALA  77          1HB       ALA  77   6.479  22.601   3.241
  587   2HB   ALA  77          2HB       ALA  77   6.447  21.358   1.988
  588   3HB   ALA  77          3HB       ALA  77   6.964  20.949   3.626
  589    H    ALA  78           H        ALA  78   2.503  20.647   2.600
  590    HA   ALA  78           HA       ALA  78   2.269  23.139   1.040
  591   1HB   ALA  78          1HB       ALA  78   0.832  20.518   0.644
  592   2HB   ALA  78          2HB       ALA  78   2.225  21.079  -0.280
  593   3HB   ALA  78          3HB       ALA  78   0.694  21.948  -0.379
  594    H    ALA  79           H        ALA  79   1.325  21.991   3.925
  595    HA   ALA  79           HA       ALA  79  -0.293  22.513   5.428
  596   1HB   ALA  79          1HB       ALA  79  -1.012  24.680   3.457
  597   2HB   ALA  79          2HB       ALA  79   0.158  24.811   4.771
  598   3HB   ALA  79          3HB       ALA  79  -1.554  24.584   5.132
  599    H    LYS  80           H        LYS  80  -0.804  20.769   3.024
  600    HA   LYS  80           HA       LYS  80  -3.394  19.930   3.755
  601   1HB   LYS  80          1HB       LYS  80  -4.504  20.242   1.545
  602   2HB   LYS  80          2HB       LYS  80  -4.210  21.755   2.386
  603   1HG   LYS  80          1HG       LYS  80  -2.427  22.323   0.940
  604   2HG   LYS  80          2HG       LYS  80  -2.374  20.698   0.258
  605   1HD   LYS  80          1HD       LYS  80  -4.831  22.412   0.022
  606   2HD   LYS  80          2HD       LYS  80  -3.496  22.569  -1.118
  607   1HE   LYS  80          1HE       LYS  80  -5.133  21.086  -2.054
  608   2HE   LYS  80          2HE       LYS  80  -3.704  20.151  -1.625
  609   1HZ   LYS  80          1HZ       LYS  80  -5.822  19.068  -1.022
  610   2HZ   LYS  80          2HZ       LYS  80  -6.146  20.337   0.059
  611   3HZ   LYS  80          3HZ       LYS  80  -4.812  19.329   0.313
  612    H    ASP  81           H        ASP  81  -1.346  18.505   3.971
  613    HA   ASP  81           HA       ASP  81  -0.349  17.429   1.467
  614   1HB   ASP  81          1HB       ASP  81   0.472  16.666   4.271
  615   2HB   ASP  81          2HB       ASP  81   1.392  16.444   2.788
  616    H    GLY  82           H        GLY  82  -1.546  15.895   0.543
  617   1HA   GLY  82          1HA       GLY  82  -1.808  13.458   0.580
  618   2HA   GLY  82          2HA       GLY  82  -2.370  13.624   2.239
  Start of MODEL   14
    1   1H    SER   1          1H        SER   1  -9.070  -3.779  -7.613
    2   2H    SER   1          2H        SER   1  -7.780  -4.639  -8.295
    3   3H    SER   1          3H        SER   1  -7.726  -4.185  -6.658
    4    HA   SER   1           HA       SER   1  -9.577  -5.614  -6.156
    5   1HB   SER   1          1HB       SER   1  -9.353  -6.503  -9.046
    6   2HB   SER   1          2HB       SER   1 -10.478  -7.126  -7.836
    7    HG   SER   1           HG       SER   1 -11.382  -4.994  -7.724
    8    H    GLN   2           H        GLN   2  -7.027  -6.441  -8.501
    9    HA   GLN   2           HA       GLN   2  -6.289  -8.890  -7.377
   10   1HB   GLN   2          1HB       GLN   2  -5.517  -8.113  -9.585
   11   2HB   GLN   2          2HB       GLN   2  -4.547  -6.869  -8.810
   12   1HG   GLN   2          1HG       GLN   2  -3.150  -8.715  -9.474
   13   2HG   GLN   2          2HG       GLN   2  -3.210  -8.612  -7.715
   14   1HE2  GLN   2          1HE2      GLN   2  -4.139 -10.432 -10.515
   15   2HE2  GLN   2          2HE2      GLN   2  -4.629 -11.862  -9.674
   16    H    GLU   3           H        GLU   3  -5.594  -9.284  -5.411
   17    HA   GLU   3           HA       GLU   3  -4.300  -7.139  -3.903
   18   1HB   GLU   3          1HB       GLU   3  -5.651  -9.693  -3.023
   19   2HB   GLU   3          2HB       GLU   3  -4.776  -8.632  -1.925
   20   1HG   GLU   3          1HG       GLU   3  -6.318  -6.839  -2.347
   21   2HG   GLU   3          2HG       GLU   3  -7.141  -7.789  -3.586
   22    H    TRP   4           H        TRP   4  -2.433  -7.578  -2.677
   23    HA   TRP   4           HA       TRP   4  -0.887  -9.913  -3.575
   24   1HB   TRP   4          1HB       TRP   4   0.115  -7.072  -3.253
   25   2HB   TRP   4          2HB       TRP   4   1.143  -8.467  -3.560
   26    HD1  TRP   4           HD1      TRP   4   0.856  -9.651  -6.015
   27    HE1  TRP   4           HE1      TRP   4   0.203  -8.618  -8.279
   28    HE3  TRP   4           HE3      TRP   4  -1.274  -5.320  -4.339
   29    HZ2  TRP   4           HZ2      TRP   4  -1.051  -6.266  -9.229
   30    HZ3  TRP   4           HZ3      TRP   4  -2.174  -3.732  -5.984
   31    HH2  TRP   4           HH2      TRP   4  -2.064  -4.199  -8.381
   32    H    THR   5           H        THR   5   0.638 -10.698  -2.047
   33    HA   THR   5           HA       THR   5   0.046  -9.953   0.712
   34    HB   THR   5           HB       THR   5   1.943 -12.096  -0.295
   35    HG1  THR   5           HG1      THR   5   0.189 -13.164  -0.793
   36   1HG2  THR   5          1HG2      THR   5   1.637 -13.054   1.945
   37   2HG2  THR   5          2HG2      THR   5   0.599 -11.696   2.382
   38   3HG2  THR   5          3HG2      THR   5   2.304 -11.424   2.029
   39    H    LEU   6           H        LEU   6   1.042  -8.067   1.150
   40    HA   LEU   6           HA       LEU   6   3.715  -7.611   0.069
   41   1HB   LEU   6          1HB       LEU   6   1.771  -5.722   1.399
   42   2HB   LEU   6          2HB       LEU   6   3.347  -5.263   0.778
   43    HG   LEU   6           HG       LEU   6   1.029  -6.297  -0.857
   44   1HD1  LEU   6          1HD1      LEU   6   2.297  -3.566  -0.721
   45   2HD1  LEU   6          2HD1      LEU   6   0.727  -4.014  -0.054
   46   3HD1  LEU   6          3HD1      LEU   6   0.987  -4.056  -1.798
   47   1HD2  LEU   6          1HD2      LEU   6   3.772  -5.389  -1.720
   48   2HD2  LEU   6          2HD2      LEU   6   2.434  -5.802  -2.793
   49   3HD2  LEU   6          3HD2      LEU   6   3.157  -7.042  -1.768
   50    H    ASP   7           H        ASP   7   5.253  -8.418   1.305
   51    HA   ASP   7           HA       ASP   7   5.114  -8.069   4.198
   52   1HB   ASP   7          1HB       ASP   7   7.175  -9.471   2.477
   53   2HB   ASP   7          2HB       ASP   7   7.207  -9.396   4.236
   54    H    ILE   8           H        ILE   8   5.465  -5.991   4.626
   55    HA   ILE   8           HA       ILE   8   7.718  -4.643   3.311
   56    HB   ILE   8           HB       ILE   8   5.257  -3.503   4.642
   57   1HG1  ILE   8          1HG1      ILE   8   4.872  -4.467   2.412
   58   2HG1  ILE   8          2HG1      ILE   8   4.691  -2.716   2.391
   59   1HG2  ILE   8          1HG2      ILE   8   7.180  -2.066   5.066
   60   2HG2  ILE   8          2HG2      ILE   8   6.056  -1.305   3.940
   61   3HG2  ILE   8          3HG2      ILE   8   7.545  -2.034   3.339
   62   1HD1  ILE   8          1HD1      ILE   8   7.115  -4.241   1.457
   63   2HD1  ILE   8          2HD1      ILE   8   6.903  -2.490   1.404
   64   3HD1  ILE   8          3HD1      ILE   8   5.874  -3.534   0.423
   65    HA   PRO   9           HA       PRO   9   9.831  -5.064   7.221
   66   1HB   PRO   9          1HB       PRO   9  11.634  -3.082   5.951
   67   2HB   PRO   9          2HB       PRO   9  12.008  -4.664   6.644
   68   1HG   PRO   9          1HG       PRO   9  11.997  -4.304   4.006
   69   2HG   PRO   9          2HG       PRO   9  11.369  -5.800   4.725
   70   1HD   PRO   9          1HD       PRO   9   9.872  -3.434   3.662
   71   2HD   PRO   9          2HD       PRO   9   9.517  -5.166   3.477
   72    H    ALA  10           H        ALA  10   9.951  -3.921   9.059
   73    HA   ALA  10           HA       ALA  10   8.908  -1.184   9.075
   74   1HB   ALA  10          1HB       ALA  10   7.837  -2.816  10.558
   75   2HB   ALA  10          2HB       ALA  10   8.605  -1.518  11.472
   76   3HB   ALA  10          3HB       ALA  10   9.382  -3.099  11.362
   77    H    GLN  11           H        GLN  11  11.576  -1.920   8.197
   78    HA   GLN  11           HA       GLN  11  13.342  -0.847  10.255
   79   1HB   GLN  11          1HB       GLN  11  14.002  -1.886   7.487
   80   2HB   GLN  11          2HB       GLN  11  15.145  -1.563   8.785
   81   1HG   GLN  11          1HG       GLN  11  14.262  -3.367  10.089
   82   2HG   GLN  11          2HG       GLN  11  12.962  -3.628   8.929
   83   1HE2  GLN  11          1HE2      GLN  11  14.829  -3.179   6.662
   84   2HE2  GLN  11          2HE2      GLN  11  15.733  -4.648   6.526
   85    H    SER  12           H        SER  12  15.209   0.295   8.366
   86    HA   SER  12           HA       SER  12  14.353   2.908   8.098
   87   1HB   SER  12          1HB       SER  12  16.299   1.465   6.277
   88   2HB   SER  12          2HB       SER  12  16.234   3.201   6.584
   89    HG   SER  12           HG       SER  12  17.217   2.931   8.444
   90    H    MET  13           H        MET  13  13.265   4.044   6.626
   91    HA   MET  13           HA       MET  13  11.232   3.019   5.119
   92   1HB   MET  13          1HB       MET  13  11.456   5.386   5.742
   93   2HB   MET  13          2HB       MET  13  12.763   5.571   4.583
   94   1HG   MET  13          1HG       MET  13  10.797   6.479   3.614
   95   2HG   MET  13          2HG       MET  13  11.159   4.971   2.778
   96   1HE   MET  13          1HE       MET  13   8.804   6.840   5.260
   97   2HE   MET  13          2HE       MET  13   9.464   5.587   6.310
   98   3HE   MET  13          3HE       MET  13   7.763   5.547   5.848
   99    H    ASN  14           H        ASN  14  14.553   3.468   4.133
  100    HA   ASN  14           HA       ASN  14  14.343   3.188   1.376
  101   1HB   ASN  14          1HB       ASN  14  16.448   3.825   2.155
  102   2HB   ASN  14          2HB       ASN  14  16.506   2.536   3.352
  103   1HD2  ASN  14          1HD2      ASN  14  16.754   3.254  -0.083
  104   2HD2  ASN  14          2HD2      ASN  14  17.666   1.839  -0.497
  105    H    SER  15           H        SER  15  14.431   0.670   3.891
  106    HA   SER  15           HA       SER  15  14.736  -1.477   2.027
  107   1HB   SER  15          1HB       SER  15  13.661  -1.673   4.849
  108   2HB   SER  15          2HB       SER  15  14.507  -2.911   3.918
  109    HG   SER  15           HG       SER  15  16.384  -1.575   4.010
  110    H    ALA  16           H        ALA  16  12.056   0.020   3.761
  111    HA   ALA  16           HA       ALA  16  10.044  -1.804   3.054
  112   1HB   ALA  16          1HB       ALA  16   9.740   1.138   3.613
  113   2HB   ALA  16          2HB       ALA  16   9.843  -0.123   4.841
  114   3HB   ALA  16          3HB       ALA  16   8.481  -0.091   3.719
  115    H    LEU  17           H        LEU  17  10.965   1.292   1.535
  116    HA   LEU  17           HA       LEU  17   8.950   1.152  -0.453
  117   1HB   LEU  17          1HB       LEU  17  11.520   2.735  -0.428
  118   2HB   LEU  17          2HB       LEU  17  10.195   2.979  -1.550
  119    HG   LEU  17           HG       LEU  17  10.085   3.394   1.440
  120   1HD1  LEU  17          1HD1      LEU  17  11.341   5.109   0.239
  121   2HD1  LEU  17          2HD1      LEU  17   9.827   5.737   0.894
  122   3HD1  LEU  17          3HD1      LEU  17   9.961   5.368  -0.827
  123   1HD2  LEU  17          1HD2      LEU  17   7.842   4.309   1.016
  124   2HD2  LEU  17          2HD2      LEU  17   7.948   2.592   0.635
  125   3HD2  LEU  17          3HD2      LEU  17   7.960   3.785  -0.664
  126    H    GLN  18           H        GLN  18  12.378   0.257  -0.462
  127    HA   GLN  18           HA       GLN  18  12.536  -0.537  -3.146
  128   1HB   GLN  18          1HB       GLN  18  14.484  -0.268  -1.633
  129   2HB   GLN  18          2HB       GLN  18  13.993  -1.722  -0.775
  130   1HG   GLN  18          1HG       GLN  18  14.298  -3.018  -2.841
  131   2HG   GLN  18          2HG       GLN  18  14.856  -1.555  -3.652
  132   1HE2  GLN  18          1HE2      GLN  18  15.615  -4.022  -1.343
  133   2HE2  GLN  18          2HE2      GLN  18  17.294  -3.631  -1.175
  134    H    ALA  19           H        ALA  19  11.437  -2.231  -0.274
  135    HA   ALA  19           HA       ALA  19  11.122  -4.784  -1.449
  136   1HB   ALA  19          1HB       ALA  19   9.742  -5.319   0.479
  137   2HB   ALA  19          2HB       ALA  19   9.616  -3.607   0.887
  138   3HB   ALA  19          3HB       ALA  19  11.176  -4.424   0.984
  139    H    LEU  20           H        LEU  20   8.998  -1.964  -1.195
  140    HA   LEU  20           HA       LEU  20   6.647  -3.279  -2.122
  141   1HB   LEU  20          1HB       LEU  20   6.594  -1.177  -0.841
  142   2HB   LEU  20          2HB       LEU  20   7.390  -0.349  -2.166
  143    HG   LEU  20           HG       LEU  20   5.425  -0.818  -3.604
  144   1HD1  LEU  20          1HD1      LEU  20   4.616  -2.826  -2.477
  145   2HD1  LEU  20          2HD1      LEU  20   3.352  -1.601  -2.576
  146   3HD1  LEU  20          3HD1      LEU  20   4.203  -1.869  -1.056
  147   1HD2  LEU  20          1HD2      LEU  20   3.927   0.795  -2.530
  148   2HD2  LEU  20          2HD2      LEU  20   5.613   1.307  -2.437
  149   3HD2  LEU  20          3HD2      LEU  20   4.821   0.615  -1.021
  150    H    ALA  21           H        ALA  21   9.310  -1.583  -3.602
  151    HA   ALA  21           HA       ALA  21   8.213  -1.147  -6.166
  152   1HB   ALA  21          1HB       ALA  21  10.245  -0.025  -5.339
  153   2HB   ALA  21          2HB       ALA  21  10.509  -0.812  -6.895
  154   3HB   ALA  21          3HB       ALA  21  11.109  -1.561  -5.414
  155    H    LYS  22           H        LYS  22  10.263  -3.706  -4.889
  156    HA   LYS  22           HA       LYS  22  10.297  -5.317  -7.198
  157   1HB   LYS  22          1HB       LYS  22  11.938  -5.508  -5.395
  158   2HB   LYS  22          2HB       LYS  22  10.684  -6.060  -4.294
  159   1HG   LYS  22          1HG       LYS  22  10.403  -8.091  -5.544
  160   2HG   LYS  22          2HG       LYS  22  11.521  -7.521  -6.789
  161   1HD   LYS  22          1HD       LYS  22  13.350  -7.542  -5.222
  162   2HD   LYS  22          2HD       LYS  22  12.259  -7.949  -3.896
  163   1HE   LYS  22          1HE       LYS  22  12.679  -9.688  -6.318
  164   2HE   LYS  22          2HE       LYS  22  13.584  -9.869  -4.816
  165   1HZ   LYS  22          1HZ       LYS  22  11.495 -10.256  -3.652
  166   2HZ   LYS  22          2HZ       LYS  22  11.718 -11.386  -4.896
  167   3HZ   LYS  22          3HZ       LYS  22  10.631 -10.101  -5.105
  168    H    GLN  23           H        GLN  23   8.222  -5.359  -4.318
  169    HA   GLN  23           HA       GLN  23   6.967  -7.809  -4.856
  170   1HB   GLN  23          1HB       GLN  23   6.629  -5.629  -2.955
  171   2HB   GLN  23          2HB       GLN  23   5.108  -6.393  -3.391
  172   1HG   GLN  23          1HG       GLN  23   5.905  -7.510  -1.475
  173   2HG   GLN  23          2HG       GLN  23   6.154  -8.598  -2.836
  174   1HE2  GLN  23          1HE2      GLN  23   7.656  -6.659  -0.405
  175   2HE2  GLN  23          2HE2      GLN  23   9.269  -7.213  -0.662
  176    H    THR  24           H        THR  24   5.971  -4.502  -5.754
  177    HA   THR  24           HA       THR  24   3.652  -5.728  -7.099
  178    HB   THR  24           HB       THR  24   2.751  -3.329  -7.128
  179    HG1  THR  24           HG1      THR  24   4.345  -2.020  -6.498
  180   1HG2  THR  24          1HG2      THR  24   1.851  -5.075  -5.672
  181   2HG2  THR  24          2HG2      THR  24   1.892  -3.524  -4.834
  182   3HG2  THR  24          3HG2      THR  24   3.113  -4.748  -4.483
  183    H    ASP  25           H        ASP  25   6.584  -4.988  -7.935
  184    HA   ASP  25           HA       ASP  25   7.693  -4.319  -9.800
  185   1HB   ASP  25          1HB       ASP  25   6.312  -6.122 -10.773
  186   2HB   ASP  25          2HB       ASP  25   5.050  -4.951 -11.141
  187    H    THR  26           H        THR  26   7.275  -2.170  -8.526
  188    HA   THR  26           HA       THR  26   6.208  -0.237 -10.471
  189    HB   THR  26           HB       THR  26   5.942   0.552  -7.652
  190    HG1  THR  26           HG1      THR  26   4.625  -1.722  -8.708
  191   1HG2  THR  26          1HG2      THR  26   4.046   0.556 -10.003
  192   2HG2  THR  26          2HG2      THR  26   5.065   1.900  -9.487
  193   3HG2  THR  26          3HG2      THR  26   3.751   1.339  -8.452
  194    H    GLN  27           H        GLN  27   7.125   1.943 -10.151
  195    HA   GLN  27           HA       GLN  27   9.882   1.729  -9.157
  196   1HB   GLN  27          1HB       GLN  27   9.681   2.209 -11.571
  197   2HB   GLN  27          2HB       GLN  27   8.767   3.664 -11.197
  198   1HG   GLN  27          1HG       GLN  27  10.684   4.589 -10.027
  199   2HG   GLN  27          2HG       GLN  27  11.601   3.121 -10.349
  200   1HE2  GLN  27          1HE2      GLN  27  13.190   4.252 -11.420
  201   2HE2  GLN  27          2HE2      GLN  27  12.959   4.918 -12.999
  202    H    LEU  28           H        LEU  28  10.467   2.920  -7.469
  203    HA   LEU  28           HA       LEU  28   8.614   5.024  -6.575
  204   1HB   LEU  28          1HB       LEU  28  10.176   2.996  -4.992
  205   2HB   LEU  28          2HB       LEU  28   9.580   4.469  -4.255
  206    HG   LEU  28           HG       LEU  28   7.259   3.768  -4.961
  207   1HD1  LEU  28          1HD1      LEU  28   8.615   1.122  -5.464
  208   2HD1  LEU  28          2HD1      LEU  28   7.886   2.158  -6.690
  209   3HD1  LEU  28          3HD1      LEU  28   6.877   1.417  -5.449
  210   1HD2  LEU  28          1HD2      LEU  28   6.999   2.191  -3.121
  211   2HD2  LEU  28          2HD2      LEU  28   8.049   3.536  -2.675
  212   3HD2  LEU  28          3HD2      LEU  28   8.747   1.964  -3.065
  213    H    LEU  29           H        LEU  29   9.421   6.985  -6.493
  214    HA   LEU  29           HA       LEU  29  12.347   7.310  -6.509
  215   1HB   LEU  29          1HB       LEU  29  10.135   8.784  -7.830
  216   2HB   LEU  29          2HB       LEU  29  11.474   9.748  -7.242
  217    HG   LEU  29           HG       LEU  29  11.792   9.225  -9.585
  218   1HD1  LEU  29          1HD1      LEU  29  13.782   9.381  -8.210
  219   2HD1  LEU  29          2HD1      LEU  29  14.001   8.170  -9.474
  220   3HD1  LEU  29          3HD1      LEU  29  13.668   7.666  -7.817
  221   1HD2  LEU  29          1HD2      LEU  29  12.111   6.918 -10.342
  222   2HD2  LEU  29          2HD2      LEU  29  10.480   7.189  -9.729
  223   3HD2  LEU  29          3HD2      LEU  29  11.664   6.336  -8.738
  224    H    TYR  30           H        TYR  30  13.203   7.998  -4.689
  225    HA   TYR  30           HA       TYR  30  11.898  10.077  -3.151
  226   1HB   TYR  30          1HB       TYR  30  11.970   8.856  -1.031
  227   2HB   TYR  30          2HB       TYR  30  10.925   8.036  -2.181
  228    HD1  TYR  30           HD1      TYR  30  11.674   5.920  -3.246
  229    HD2  TYR  30           HD2      TYR  30  13.931   7.795  -0.162
  230    HE1  TYR  30           HE1      TYR  30  12.893   3.819  -2.867
  231    HE2  TYR  30           HE2      TYR  30  15.162   5.699   0.217
  232    HH   TYR  30           HH       TYR  30  14.981   3.037  -1.934
  233    H    SER  31           H        SER  31  13.310  11.137  -1.717
  234    HA   SER  31           HA       SER  31  16.128  10.756  -2.388
  235   1HB   SER  31          1HB       SER  31  14.915  13.005  -0.777
  236   2HB   SER  31          2HB       SER  31  16.439  13.004  -1.667
  237    HG   SER  31           HG       SER  31  13.795  12.990  -2.708
  238    HA   PRO  32           HA       PRO  32  16.576   8.450   1.401
  239   1HB   PRO  32          1HB       PRO  32  19.451   9.015   0.920
  240   2HB   PRO  32          2HB       PRO  32  18.631   7.467   1.151
  241   1HG   PRO  32          1HG       PRO  32  19.483   8.207  -1.262
  242   2HG   PRO  32          2HG       PRO  32  17.941   7.353  -1.064
  243   1HD   PRO  32          1HD       PRO  32  18.450  10.264  -1.537
  244   2HD   PRO  32          2HD       PRO  32  17.183   9.217  -2.211
  245    H    GLU  33           H        GLU  33  18.122  11.529   0.798
  246    HA   GLU  33           HA       GLU  33  18.828  12.043   3.523
  247   1HB   GLU  33          1HB       GLU  33  18.603  13.854   1.118
  248   2HB   GLU  33          2HB       GLU  33  19.220  14.363   2.684
  249   1HG   GLU  33          1HG       GLU  33  21.084  12.894   2.508
  250   2HG   GLU  33          2HG       GLU  33  20.417  12.129   1.068
  251    H    ASP  34           H        ASP  34  15.945  12.314   1.666
  252    HA   ASP  34           HA       ASP  34  14.873  14.401   3.416
  253   1HB   ASP  34          1HB       ASP  34  14.085  13.424   0.692
  254   2HB   ASP  34          2HB       ASP  34  12.941  14.319   1.689
  255    H    ILE  35           H        ILE  35  14.987  11.142   3.404
  256    HA   ILE  35           HA       ILE  35  12.237  10.803   4.370
  257    HB   ILE  35           HB       ILE  35  12.696   8.385   4.377
  258   1HG1  ILE  35          1HG1      ILE  35  15.380   9.154   3.202
  259   2HG1  ILE  35          2HG1      ILE  35  15.124   8.501   4.814
  260   1HG2  ILE  35          1HG2      ILE  35  11.740   9.406   2.392
  261   2HG2  ILE  35          2HG2      ILE  35  12.813   8.079   1.946
  262   3HG2  ILE  35          3HG2      ILE  35  13.354   9.748   1.768
  263   1HD1  ILE  35          1HD1      ILE  35  14.549   7.084   2.224
  264   2HD1  ILE  35          2HD1      ILE  35  14.303   6.422   3.840
  265   3HD1  ILE  35          3HD1      ILE  35  15.932   6.802   3.282
  266    H    GLY  36           H        GLY  36  15.018  11.827   5.571
  267   1HA   GLY  36          1HA       GLY  36  15.684  12.256   7.712
  268   2HA   GLY  36          2HA       GLY  36  14.105  11.693   8.219
  269    H    GLY  37           H        GLY  37  15.743   9.295   6.503
  270   1HA   GLY  37          1HA       GLY  37  16.603   7.268   7.155
  271   2HA   GLY  37          2HA       GLY  37  17.459   8.179   8.392
  272    H    LEU  38           H        LEU  38  13.964   7.851   8.053
  273    HA   LEU  38           HA       LEU  38  13.889   6.875  10.809
  274   1HB   LEU  38          1HB       LEU  38  11.491   7.526  10.720
  275   2HB   LEU  38          2HB       LEU  38  12.603   8.855  10.476
  276    HG   LEU  38           HG       LEU  38  12.162   8.357   7.931
  277   1HD1  LEU  38          1HD1      LEU  38  10.826   6.352   8.280
  278   2HD1  LEU  38          2HD1      LEU  38   9.876   7.621   7.507
  279   3HD1  LEU  38          3HD1      LEU  38   9.662   7.283   9.224
  280   1HD2  LEU  38          1HD2      LEU  38  10.139   9.744   9.682
  281   2HD2  LEU  38          2HD2      LEU  38  10.388  10.011   7.955
  282   3HD2  LEU  38          3HD2      LEU  38  11.653  10.441   9.105
  283    H    ARG  39           H        ARG  39  12.087   5.307  11.321
  284    HA   ARG  39           HA       ARG  39  12.284   3.105   9.426
  285   1HB   ARG  39          1HB       ARG  39  11.393   1.699  11.203
  286   2HB   ARG  39          2HB       ARG  39  12.757   2.635  11.789
  287   1HG   ARG  39          1HG       ARG  39  11.217   4.197  12.873
  288   2HG   ARG  39          2HG       ARG  39   9.850   3.236  12.296
  289   1HD   ARG  39          1HD       ARG  39  10.833   1.280  13.511
  290   2HD   ARG  39          2HD       ARG  39  12.014   2.389  14.211
  291    HE   ARG  39           HE       ARG  39   9.429   3.389  14.674
  292   1HH1  ARG  39          1HH1      ARG  39  11.586   0.833  15.721
  293   2HH1  ARG  39          2HH1      ARG  39  10.772   0.606  17.240
  294   1HH2  ARG  39          1HH2      ARG  39   8.399   3.130  16.699
  295   2HH2  ARG  39          2HH2      ARG  39   8.973   1.907  17.798
  296    H    SER  40           H        SER  40  10.578   2.095   8.492
  297    HA   SER  40           HA       SER  40   8.348   3.835   7.944
  298   1HB   SER  40          1HB       SER  40   7.802   1.854   6.358
  299   2HB   SER  40          2HB       SER  40   9.245   2.818   6.037
  300    HG   SER  40           HG       SER  40   9.020   0.181   6.779
  301    H    SER  41           H        SER  41   6.150   3.106   7.908
  302    HA   SER  41           HA       SER  41   5.435   1.470  10.198
  303   1HB   SER  41          1HB       SER  41   4.297   3.663   9.752
  304   2HB   SER  41          2HB       SER  41   3.653   2.983   8.261
  305    HG   SER  41           HG       SER  41   2.951   1.250  10.021
  306    H    ALA  42           H        ALA  42   5.535  -0.631   9.814
  307    HA   ALA  42           HA       ALA  42   5.668  -1.830   7.315
  308   1HB   ALA  42          1HB       ALA  42   5.491  -3.939   8.477
  309   2HB   ALA  42          2HB       ALA  42   4.854  -3.129   9.909
  310   3HB   ALA  42          3HB       ALA  42   6.514  -2.830   9.390
  311    H    LEU  43           H        LEU  43   4.160  -2.037   5.818
  312    HA   LEU  43           HA       LEU  43   1.384  -2.534   6.635
  313   1HB   LEU  43          1HB       LEU  43   2.156  -0.696   4.904
  314   2HB   LEU  43          2HB       LEU  43   2.224  -2.050   3.794
  315    HG   LEU  43           HG       LEU  43   0.109  -0.817   3.602
  316   1HD1  LEU  43          1HD1      LEU  43   0.072  -3.174   3.063
  317   2HD1  LEU  43          2HD1      LEU  43  -1.443  -2.702   3.833
  318   3HD1  LEU  43          3HD1      LEU  43  -0.220  -3.580   4.754
  319   1HD2  LEU  43          1HD2      LEU  43  -1.526  -0.901   5.436
  320   2HD2  LEU  43          2HD2      LEU  43  -0.081   0.017   5.861
  321   3HD2  LEU  43          3HD2      LEU  43  -0.296  -1.621   6.477
  322    H    LYS  44           H        LYS  44   1.711  -4.665   7.214
  323    HA   LYS  44           HA       LYS  44   2.703  -6.502   5.142
  324   1HB   LYS  44          1HB       LYS  44   3.954  -6.378   7.291
  325   2HB   LYS  44          2HB       LYS  44   2.504  -6.890   8.136
  326   1HG   LYS  44          1HG       LYS  44   2.563  -9.017   6.888
  327   2HG   LYS  44          2HG       LYS  44   4.078  -8.498   6.137
  328   1HD   LYS  44          1HD       LYS  44   5.111  -8.313   8.347
  329   2HD   LYS  44          2HD       LYS  44   3.601  -8.827   9.100
  330   1HE   LYS  44          1HE       LYS  44   5.064 -10.709   9.017
  331   2HE   LYS  44          2HE       LYS  44   3.785 -10.965   7.831
  332   1HZ   LYS  44          1HZ       LYS  44   5.242 -10.488   6.071
  333   2HZ   LYS  44          2HZ       LYS  44   6.128 -11.489   7.113
  334   3HZ   LYS  44          3HZ       LYS  44   6.416  -9.817   7.096
  335    H    GLY  45           H        GLY  45   0.924  -7.171   4.028
  336   1HA   GLY  45          1HA       GLY  45  -0.837  -9.040   5.102
  337   2HA   GLY  45          2HA       GLY  45  -1.647  -7.484   5.180
  338    H    ARG  46           H        ARG  46  -3.195  -8.514   3.738
  339    HA   ARG  46           HA       ARG  46  -2.239  -8.718   0.957
  340   1HB   ARG  46          1HB       ARG  46  -3.480 -10.674   2.210
  341   2HB   ARG  46          2HB       ARG  46  -4.918  -9.729   1.847
  342   1HG   ARG  46          1HG       ARG  46  -4.223  -9.772  -0.561
  343   2HG   ARG  46          2HG       ARG  46  -2.962 -10.917  -0.104
  344   1HD   ARG  46          1HD       ARG  46  -4.632 -12.352  -0.743
  345   2HD   ARG  46          2HD       ARG  46  -4.961 -12.215   0.983
  346    HE   ARG  46           HE       ARG  46  -6.416 -10.239  -0.416
  347   1HH1  ARG  46          1HH1      ARG  46  -6.396 -13.682   0.232
  348   2HH1  ARG  46          2HH1      ARG  46  -8.074 -13.902  -0.177
  349   1HH2  ARG  46          1HH2      ARG  46  -8.611 -10.518  -0.987
  350   2HH2  ARG  46          2HH2      ARG  46  -9.328 -12.107  -0.901
  351    H    HIS  47           H        HIS  47  -2.446  -6.678   0.178
  352    HA   HIS  47           HA       HIS  47  -5.141  -5.523   0.201
  353   1HB   HIS  47          1HB       HIS  47  -2.631  -4.174   1.157
  354   2HB   HIS  47          2HB       HIS  47  -3.949  -3.231   0.476
  355    HD1  HIS  47           HD1      HIS  47  -5.757  -2.562   2.034
  356    HD2  HIS  47           HD2      HIS  47  -3.440  -5.664   3.558
  357    HE1  HIS  47           HE1      HIS  47  -6.530  -2.888   4.404
  358    HE2  HIS  47           HE2      HIS  47  -5.014  -4.660   5.356
  359    H    ASP  48           H        ASP  48  -5.362  -3.740  -1.377
  360    HA   ASP  48           HA       ASP  48  -4.089  -4.272  -3.883
  361   1HB   ASP  48          1HB       ASP  48  -5.812  -1.950  -2.981
  362   2HB   ASP  48          2HB       ASP  48  -5.242  -2.172  -4.628
  363    H    LEU  49           H        LEU  49  -3.030  -2.366  -5.098
  364    HA   LEU  49           HA       LEU  49  -0.659  -1.682  -3.767
  365   1HB   LEU  49          1HB       LEU  49  -0.842  -1.824  -6.201
  366   2HB   LEU  49          2HB       LEU  49  -1.890  -0.418  -6.216
  367    HG   LEU  49           HG       LEU  49  -0.033   0.972  -5.374
  368   1HD1  LEU  49          1HD1      LEU  49   1.203  -0.723  -4.144
  369   2HD1  LEU  49          2HD1      LEU  49   2.245   0.040  -5.345
  370   3HD1  LEU  49          3HD1      LEU  49   1.581  -1.565  -5.647
  371   1HD2  LEU  49          1HD2      LEU  49   1.295   0.959  -7.417
  372   2HD2  LEU  49          2HD2      LEU  49  -0.419   0.770  -7.780
  373   3HD2  LEU  49          3HD2      LEU  49   0.653  -0.629  -7.835
  374    H    GLN  50           H        GLN  50  -3.359   0.458  -4.717
  375    HA   GLN  50           HA       GLN  50  -2.310   2.728  -3.394
  376   1HB   GLN  50          1HB       GLN  50  -5.035   2.083  -4.475
  377   2HB   GLN  50          2HB       GLN  50  -4.708   3.594  -3.634
  378   1HG   GLN  50          1HG       GLN  50  -2.911   4.059  -5.272
  379   2HG   GLN  50          2HG       GLN  50  -3.384   2.605  -6.148
  380   1HE2  GLN  50          1HE2      GLN  50  -6.213   2.980  -5.620
  381   2HE2  GLN  50          2HE2      GLN  50  -6.733   4.273  -6.646
  382    H    SER  51           H        SER  51  -4.416   0.143  -2.307
  383    HA   SER  51           HA       SER  51  -5.416   1.352   0.011
  384   1HB   SER  51          1HB       SER  51  -6.197  -0.821  -0.958
  385   2HB   SER  51          2HB       SER  51  -4.711  -1.570  -0.379
  386    HG   SER  51           HG       SER  51  -6.981  -0.818   0.998
  387    H    SER  52           H        SER  52  -2.566  -0.705  -0.470
  388    HA   SER  52           HA       SER  52  -1.559  -0.534   2.137
  389   1HB   SER  52          1HB       SER  52   0.029  -0.885  -0.413
  390   2HB   SER  52          2HB       SER  52   0.483  -1.422   1.206
  391    HG   SER  52           HG       SER  52  -1.309  -2.528  -0.605
  392    H    LEU  53           H        LEU  53  -0.880   1.408  -0.757
  393    HA   LEU  53           HA       LEU  53   1.114   3.051   0.249
  394   1HB   LEU  53          1HB       LEU  53  -1.003   3.428  -1.839
  395   2HB   LEU  53          2HB       LEU  53   0.089   4.741  -1.435
  396    HG   LEU  53           HG       LEU  53   1.223   2.070  -2.173
  397   1HD1  LEU  53          1HD1      LEU  53   1.268   2.780  -4.521
  398   2HD1  LEU  53          2HD1      LEU  53   0.280   4.178  -4.110
  399   3HD1  LEU  53          3HD1      LEU  53  -0.381   2.553  -3.942
  400   1HD2  LEU  53          1HD2      LEU  53   2.655   3.877  -1.281
  401   2HD2  LEU  53          2HD2      LEU  53   2.149   4.906  -2.627
  402   3HD2  LEU  53          3HD2      LEU  53   3.070   3.431  -2.937
  403    H    ARG  54           H        ARG  54  -2.409   3.556   0.319
  404    HA   ARG  54           HA       ARG  54  -2.346   6.115   1.454
  405   1HB   ARG  54          1HB       ARG  54  -4.353   5.239   0.406
  406   2HB   ARG  54          2HB       ARG  54  -4.477   3.980   1.628
  407   1HG   ARG  54          1HG       ARG  54  -4.814   5.712   3.343
  408   2HG   ARG  54          2HG       ARG  54  -4.762   6.942   2.079
  409   1HD   ARG  54          1HD       ARG  54  -6.731   6.044   1.044
  410   2HD   ARG  54          2HD       ARG  54  -6.730   4.663   2.143
  411    HE   ARG  54           HE       ARG  54  -6.850   7.071   3.614
  412   1HH1  ARG  54          1HH1      ARG  54  -8.828   5.069   1.533
  413   2HH1  ARG  54          2HH1      ARG  54 -10.320   5.521   2.310
  414   1HH2  ARG  54          1HH2      ARG  54  -8.799   7.667   4.644
  415   2HH2  ARG  54          2HH2      ARG  54 -10.301   6.994   4.079
  416    H    ILE  55           H        ILE  55  -2.648   2.932   3.016
  417    HA   ILE  55           HA       ILE  55  -2.986   4.055   5.626
  418    HB   ILE  55           HB       ILE  55  -2.250   1.216   4.894
  419   1HG1  ILE  55          1HG1      ILE  55  -4.968   2.442   5.403
  420   2HG1  ILE  55          2HG1      ILE  55  -4.345   1.984   3.820
  421   1HG2  ILE  55          1HG2      ILE  55  -3.218   0.656   7.084
  422   2HG2  ILE  55          2HG2      ILE  55  -3.442   2.375   7.409
  423   3HG2  ILE  55          3HG2      ILE  55  -1.816   1.715   7.232
  424   1HD1  ILE  55          1HD1      ILE  55  -5.873   0.312   4.664
  425   2HD1  ILE  55          2HD1      ILE  55  -4.896   0.123   6.120
  426   3HD1  ILE  55          3HD1      ILE  55  -4.241  -0.346   4.551
  427    H    LEU  56           H        LEU  56  -0.251   2.862   3.783
  428    HA   LEU  56           HA       LEU  56   1.529   2.657   5.997
  429   1HB   LEU  56          1HB       LEU  56   1.669   1.554   3.674
  430   2HB   LEU  56          2HB       LEU  56   2.356   3.069   3.135
  431    HG   LEU  56           HG       LEU  56   3.567   1.426   5.361
  432   1HD1  LEU  56          1HD1      LEU  56   4.196   1.395   2.412
  433   2HD1  LEU  56          2HD1      LEU  56   3.516   0.068   3.357
  434   3HD1  LEU  56          3HD1      LEU  56   5.162   0.621   3.667
  435   1HD2  LEU  56          1HD2      LEU  56   4.678   3.621   3.610
  436   2HD2  LEU  56          2HD2      LEU  56   5.593   2.702   4.807
  437   3HD2  LEU  56          3HD2      LEU  56   4.276   3.756   5.322
  438    H    LEU  57           H        LEU  57   1.045   5.127   3.484
  439    HA   LEU  57           HA       LEU  57   3.207   6.729   4.473
  440   1HB   LEU  57          1HB       LEU  57   1.197   7.035   2.283
  441   2HB   LEU  57          2HB       LEU  57   2.126   8.426   2.802
  442    HG   LEU  57           HG       LEU  57   3.138   7.406   0.845
  443   1HD1  LEU  57          1HD1      LEU  57   4.595   8.452   2.523
  444   2HD1  LEU  57          2HD1      LEU  57   5.397   7.153   1.644
  445   3HD1  LEU  57          3HD1      LEU  57   4.821   6.878   3.287
  446   1HD2  LEU  57          1HD2      LEU  57   3.422   4.913   2.515
  447   2HD2  LEU  57          2HD2      LEU  57   4.091   5.165   0.902
  448   3HD2  LEU  57          3HD2      LEU  57   2.343   5.119   1.135
  449    H    GLN  58           H        GLN  58  -0.311   6.863   4.716
  450    HA   GLN  58           HA       GLN  58  -0.710   9.386   5.714
  451   1HB   GLN  58          1HB       GLN  58  -2.474   7.646   5.252
  452   2HB   GLN  58          2HB       GLN  58  -2.086   6.933   6.812
  453   1HG   GLN  58          1HG       GLN  58  -2.618   9.138   7.854
  454   2HG   GLN  58          2HG       GLN  58  -3.205   9.669   6.280
  455   1HE2  GLN  58          1HE2      GLN  58  -3.572   6.439   7.626
  456   2HE2  GLN  58          2HE2      GLN  58  -5.296   6.515   7.792
  457    H    GLY  59           H        GLY  59   0.444  10.390   7.222
  458   1HA   GLY  59          1HA       GLY  59   0.971  10.919   9.430
  459   2HA   GLY  59          2HA       GLY  59   0.460   9.307   9.913
  460    H    THR  60           H        THR  60   3.005  10.891   8.008
  461    HA   THR  60           HA       THR  60   5.014   9.285   9.373
  462    HB   THR  60           HB       THR  60   6.178   8.806   7.195
  463    HG1  THR  60           HG1      THR  60   3.693   9.069   5.899
  464   1HG2  THR  60          1HG2      THR  60   3.481   7.491   7.549
  465   2HG2  THR  60          2HG2      THR  60   4.963   7.047   8.394
  466   3HG2  THR  60          3HG2      THR  60   4.848   6.833   6.648
  467    H    GLY  61           H        GLY  61   4.131  11.948   7.294
  468   1HA   GLY  61          1HA       GLY  61   5.215  14.105   7.615
  469   2HA   GLY  61          2HA       GLY  61   6.727  13.232   7.852
  470    H    LEU  62           H        LEU  62   5.616  11.391   5.624
  471    HA   LEU  62           HA       LEU  62   6.616  13.043   3.408
  472   1HB   LEU  62          1HB       LEU  62   6.542  10.033   3.690
  473   2HB   LEU  62          2HB       LEU  62   7.208  10.916   2.329
  474    HG   LEU  62           HG       LEU  62   8.274  11.044   5.152
  475   1HD1  LEU  62          1HD1      LEU  62  10.174   9.762   4.241
  476   2HD1  LEU  62          2HD1      LEU  62   9.281   9.556   2.734
  477   3HD1  LEU  62          3HD1      LEU  62   8.664   8.853   4.228
  478   1HD2  LEU  62          1HD2      LEU  62   9.351  12.152   2.563
  479   2HD2  LEU  62          2HD2      LEU  62  10.176  12.187   4.121
  480   3HD2  LEU  62          3HD2      LEU  62   8.676  13.087   3.897
  481    H    ARG  63           H        ARG  63   5.597  12.754   1.329
  482    HA   ARG  63           HA       ARG  63   2.769  11.953   1.544
  483   1HB   ARG  63          1HB       ARG  63   2.970  14.378   1.382
  484   2HB   ARG  63          2HB       ARG  63   3.998  14.224  -0.035
  485   1HG   ARG  63          1HG       ARG  63   2.119  13.236  -1.271
  486   2HG   ARG  63          2HG       ARG  63   1.095  13.450   0.151
  487   1HD   ARG  63          1HD       ARG  63   0.794  15.251  -1.502
  488   2HD   ARG  63          2HD       ARG  63   1.387  15.849   0.047
  489    HE   ARG  63           HE       ARG  63   3.671  15.549  -1.286
  490   1HH1  ARG  63          1HH1      ARG  63   0.654  17.018  -2.271
  491   2HH1  ARG  63          2HH1      ARG  63   1.404  18.137  -3.365
  492   1HH2  ARG  63          1HH2      ARG  63   4.665  17.043  -2.703
  493   2HH2  ARG  63          2HH2      ARG  63   3.695  18.190  -3.571
  494    H    TYR  64           H        TYR  64   1.956  10.682  -0.071
  495    HA   TYR  64           HA       TYR  64   3.961   9.666  -1.957
  496   1HB   TYR  64          1HB       TYR  64   2.670   7.646  -2.147
  497   2HB   TYR  64          2HB       TYR  64   2.890   8.005  -0.443
  498    HD1  TYR  64           HD1      TYR  64   0.898   9.225   0.734
  499    HD2  TYR  64           HD2      TYR  64   0.559   7.160  -2.972
  500    HE1  TYR  64           HE1      TYR  64  -1.528   9.015   1.076
  501    HE2  TYR  64           HE2      TYR  64  -1.868   6.949  -2.639
  502    HH   TYR  64           HH       TYR  64  -3.567   8.719  -0.353
  503    H    GLN  65           H        GLN  65   3.914  10.447  -3.911
  504    HA   GLN  65           HA       GLN  65   1.323  11.115  -5.136
  505   1HB   GLN  65          1HB       GLN  65   4.139  11.952  -5.836
  506   2HB   GLN  65          2HB       GLN  65   2.748  12.290  -6.855
  507   1HG   GLN  65          1HG       GLN  65   3.075  13.235  -4.016
  508   2HG   GLN  65          2HG       GLN  65   3.421  14.197  -5.452
  509   1HE2  GLN  65          1HE2      GLN  65   1.691  14.858  -6.781
  510   2HE2  GLN  65          2HE2      GLN  65   0.067  14.907  -6.178
  511    H    ILE  66           H        ILE  66   0.600   9.977  -6.841
  512    HA   ILE  66           HA       ILE  66   2.381   7.888  -7.909
  513    HB   ILE  66           HB       ILE  66  -0.636   7.975  -7.839
  514   1HG1  ILE  66          1HG1      ILE  66   1.374   6.142  -6.526
  515   2HG1  ILE  66          2HG1      ILE  66   0.381   7.355  -5.719
  516   1HG2  ILE  66          1HG2      ILE  66   0.083   7.013  -9.944
  517   2HG2  ILE  66          2HG2      ILE  66  -0.550   5.746  -8.893
  518   3HG2  ILE  66          3HG2      ILE  66   1.191   5.934  -9.098
  519   1HD1  ILE  66          1HD1      ILE  66  -1.630   6.112  -6.397
  520   2HD1  ILE  66          2HD1      ILE  66  -0.554   5.170  -5.370
  521   3HD1  ILE  66          3HD1      ILE  66  -0.597   4.873  -7.109
  522    H    ASP  67           H        ASP  67   3.314   8.590  -9.688
  523    HA   ASP  67           HA       ASP  67   1.711  10.144 -11.616
  524   1HB   ASP  67          1HB       ASP  67   3.707  11.289 -10.531
  525   2HB   ASP  67          2HB       ASP  67   4.727  10.134 -11.382
  526    H    GLY  68           H        GLY  68   1.048   8.771 -13.159
  527   1HA   GLY  68          1HA       GLY  68   1.063   7.104 -14.739
  528   2HA   GLY  68          2HA       GLY  68   2.814   7.271 -14.771
  529    H    ASN  69           H        ASN  69   3.957   5.582 -14.125
  530    HA   ASN  69           HA       ASN  69   2.668   3.629 -12.322
  531   1HB   ASN  69          1HB       ASN  69   4.104   1.906 -13.274
  532   2HB   ASN  69          2HB       ASN  69   3.217   2.705 -14.565
  533   1HD2  ASN  69          1HD2      ASN  69   4.316   4.023 -16.014
  534   2HD2  ASN  69          2HD2      ASN  69   6.043   3.983 -16.160
  535    H    THR  70           H        THR  70   4.080   6.096 -11.695
  536    HA   THR  70           HA       THR  70   6.487   5.040 -10.367
  537    HB   THR  70           HB       THR  70   6.089   7.869 -11.361
  538    HG1  THR  70           HG1      THR  70   6.284   6.583 -13.170
  539   1HG2  THR  70          1HG2      THR  70   8.549   6.418 -10.369
  540   2HG2  THR  70          2HG2      THR  70   7.665   7.671  -9.499
  541   3HG2  THR  70          3HG2      THR  70   8.510   8.066 -10.995
  542    H    VAL  71           H        VAL  71   6.754   5.494  -8.257
  543    HA   VAL  71           HA       VAL  71   4.599   7.003  -6.932
  544    HB   VAL  71           HB       VAL  71   6.443   4.955  -5.679
  545   1HG1  VAL  71          1HG1      VAL  71   4.830   4.989  -3.834
  546   2HG1  VAL  71          2HG1      VAL  71   3.918   6.252  -4.658
  547   3HG1  VAL  71          3HG1      VAL  71   5.557   6.573  -4.093
  548   1HG2  VAL  71          1HG2      VAL  71   5.060   3.837  -7.313
  549   2HG2  VAL  71          2HG2      VAL  71   3.615   4.622  -6.674
  550   3HG2  VAL  71          3HG2      VAL  71   4.487   3.445  -5.690
  551    H    THR  72           H        THR  72   5.195   8.954  -6.228
  552    HA   THR  72           HA       THR  72   8.065   9.467  -5.833
  553    HB   THR  72           HB       THR  72   5.867  11.515  -6.169
  554    HG1  THR  72           HG1      THR  72   6.792   9.867  -7.999
  555   1HG2  THR  72          1HG2      THR  72   8.878  11.695  -6.399
  556   2HG2  THR  72          2HG2      THR  72   7.889  12.360  -5.096
  557   3HG2  THR  72          3HG2      THR  72   7.749  13.008  -6.730
  558    H    VAL  73           H        VAL  73   8.664   9.354  -3.789
  559    HA   VAL  73           HA       VAL  73   6.773  10.042  -1.667
  560    HB   VAL  73           HB       VAL  73   9.551   8.874  -1.416
  561   1HG1  VAL  73          1HG1      VAL  73   8.822   8.248   0.840
  562   2HG1  VAL  73          2HG1      VAL  73   7.289   9.073   0.565
  563   3HG1  VAL  73          3HG1      VAL  73   8.790   9.994   0.601
  564   1HG2  VAL  73          1HG2      VAL  73   8.406   6.725  -1.020
  565   2HG2  VAL  73          2HG2      VAL  73   8.144   7.340  -2.652
  566   3HG2  VAL  73          3HG2      VAL  73   6.870   7.489  -1.440
  567    H    THR  74           H        THR  74   6.703  12.206  -1.535
  568    HA   THR  74           HA       THR  74   9.257  13.664  -1.355
  569    HB   THR  74           HB       THR  74   7.935  14.296  -3.324
  570    HG1  THR  74           HG1      THR  74   9.036  16.032  -2.619
  571   1HG2  THR  74          1HG2      THR  74   5.791  15.068  -1.342
  572   2HG2  THR  74          2HG2      THR  74   5.703  13.755  -2.518
  573   3HG2  THR  74          3HG2      THR  74   5.769  15.433  -3.067
  574    H    ALA  75           H        ALA  75   9.470  15.222   0.278
  575    HA   ALA  75           HA       ALA  75   8.137  14.644   2.702
  576   1HB   ALA  75          1HB       ALA  75   9.857  17.020   2.003
  577   2HB   ALA  75          2HB       ALA  75  10.440  15.474   2.616
  578   3HB   ALA  75          3HB       ALA  75   9.422  16.495   3.629
  579    H    SER  76           H        SER  76   6.421  15.585   3.671
  580    HA   SER  76           HA       SER  76   4.605  17.123   2.160
  581   1HB   SER  76          1HB       SER  76   4.663  16.770   5.168
  582   2HB   SER  76          2HB       SER  76   3.266  17.197   4.179
  583    HG   SER  76           HG       SER  76   4.551  14.734   4.503
  584    H    ALA  77           H        ALA  77   5.001  19.113   1.565
  585    HA   ALA  77           HA       ALA  77   5.692  21.255   1.515
  586   1HB   ALA  77          1HB       ALA  77   5.461  21.115   4.522
  587   2HB   ALA  77          2HB       ALA  77   4.173  21.568   3.404
  588   3HB   ALA  77          3HB       ALA  77   5.601  22.590   3.566
  589    H    ALA  78           H        ALA  78   7.638  19.704   0.965
  590    HA   ALA  78           HA       ALA  78   9.878  19.538   2.606
  591   1HB   ALA  78          1HB       ALA  78  11.159  19.179   0.559
  592   2HB   ALA  78          2HB       ALA  78   9.809  19.786  -0.401
  593   3HB   ALA  78          3HB       ALA  78   9.638  18.288   0.514
  594    H    ALA  79           H        ALA  79   9.379  21.863  -0.056
  595    HA   ALA  79           HA       ALA  79  10.198  23.945  -0.444
  596   1HB   ALA  79          1HB       ALA  79   9.932  24.203   2.551
  597   2HB   ALA  79          2HB       ALA  79   8.637  24.450   1.374
  598   3HB   ALA  79          3HB       ALA  79  10.033  25.532   1.393
  599    H    LYS  80           H        LYS  80  12.234  22.450  -0.798
  600    HA   LYS  80           HA       LYS  80  14.393  23.153   1.026
  601   1HB   LYS  80          1HB       LYS  80  14.327  21.395  -1.429
  602   2HB   LYS  80          2HB       LYS  80  15.792  21.742  -0.523
  603   1HG   LYS  80          1HG       LYS  80  14.630  20.807   1.506
  604   2HG   LYS  80          2HG       LYS  80  13.357  20.254   0.417
  605   1HD   LYS  80          1HD       LYS  80  16.272  19.522   0.135
  606   2HD   LYS  80          2HD       LYS  80  15.075  18.523   0.958
  607   1HE   LYS  80          1HE       LYS  80  13.787  18.359  -1.117
  608   2HE   LYS  80          2HE       LYS  80  14.982  19.363  -1.938
  609   1HZ   LYS  80          1HZ       LYS  80  15.530  16.709  -0.700
  610   2HZ   LYS  80          2HZ       LYS  80  16.646  17.666  -1.554
  611   3HZ   LYS  80          3HZ       LYS  80  15.322  16.991  -2.360
  612    H    ASP  81           H        ASP  81  14.803  25.252   0.800
  613    HA   ASP  81           HA       ASP  81  15.586  27.202  -0.019
  614   1HB   ASP  81          1HB       ASP  81  16.861  25.382  -2.067
  615   2HB   ASP  81          2HB       ASP  81  17.195  27.106  -1.949
  616    H    GLY  82           H        GLY  82  15.501  25.956  -3.285
  617   1HA   GLY  82          1HA       GLY  82  13.034  26.529  -4.222
  618   2HA   GLY  82          2HA       GLY  82  13.759  28.125  -4.059
  Start of MODEL   15
    1   1H    SER   1          1H        SER   1 -11.670  -6.023  -5.637
    2   2H    SER   1          2H        SER   1 -10.438  -5.046  -6.261
    3   3H    SER   1          3H        SER   1 -10.144  -6.015  -4.900
    4    HA   SER   1           HA       SER   1 -10.381  -8.001  -6.169
    5   1HB   SER   1          1HB       SER   1 -10.892  -6.142  -8.507
    6   2HB   SER   1          2HB       SER   1 -10.743  -7.897  -8.605
    7    HG   SER   1           HG       SER   1 -12.764  -6.385  -7.292
    8    H    GLN   2           H        GLN   2  -8.730  -4.987  -6.679
    9    HA   GLN   2           HA       GLN   2  -6.480  -6.363  -7.954
   10   1HB   GLN   2          1HB       GLN   2  -7.381  -4.307  -9.016
   11   2HB   GLN   2          2HB       GLN   2  -6.962  -3.401  -7.570
   12   1HG   GLN   2          1HG       GLN   2  -5.327  -3.087  -9.341
   13   2HG   GLN   2          2HG       GLN   2  -4.614  -3.863  -7.929
   14   1HE2  GLN   2          1HE2      GLN   2  -3.958  -5.999  -8.059
   15   2HE2  GLN   2          2HE2      GLN   2  -3.760  -6.817  -9.572
   16    H    GLU   3           H        GLU   3  -5.843  -7.436  -5.977
   17    HA   GLU   3           HA       GLU   3  -4.489  -5.614  -4.104
   18   1HB   GLU   3          1HB       GLU   3  -5.754  -8.300  -3.516
   19   2HB   GLU   3          2HB       GLU   3  -4.830  -7.349  -2.356
   20   1HG   GLU   3          1HG       GLU   3  -6.468  -5.522  -2.595
   21   2HG   GLU   3          2HG       GLU   3  -7.411  -6.536  -3.683
   22    H    TRP   4           H        TRP   4  -2.521  -6.302  -3.219
   23    HA   TRP   4           HA       TRP   4  -1.157  -8.458  -4.695
   24   1HB   TRP   4          1HB       TRP   4  -0.110  -5.709  -3.997
   25   2HB   TRP   4          2HB       TRP   4   0.941  -7.044  -4.447
   26    HD1  TRP   4           HD1      TRP   4   0.754  -7.925  -7.015
   27    HE1  TRP   4           HE1      TRP   4   0.081  -6.667  -9.157
   28    HE3  TRP   4           HE3      TRP   4  -1.624  -3.930  -4.897
   29    HZ2  TRP   4           HZ2      TRP   4  -1.277  -4.295  -9.856
   30    HZ3  TRP   4           HZ3      TRP   4  -2.584  -2.211  -6.370
   31    HH2  TRP   4           HH2      TRP   4  -2.413  -2.392  -8.800
   32    H    THR   5           H        THR   5   0.501  -9.544  -3.501
   33    HA   THR   5           HA       THR   5   0.036  -9.498  -0.624
   34    HB   THR   5           HB       THR   5   1.906 -11.310  -2.167
   35    HG1  THR   5           HG1      THR   5  -0.810 -11.193  -2.217
   36   1HG2  THR   5          1HG2      THR   5   1.557 -12.820  -0.273
   37   2HG2  THR   5          2HG2      THR   5   0.493 -11.634   0.485
   38   3HG2  THR   5          3HG2      THR   5   2.207 -11.272   0.269
   39    H    LEU   6           H        LEU   6   1.072  -7.836   0.299
   40    HA   LEU   6           HA       LEU   6   3.792  -7.161  -0.605
   41   1HB   LEU   6          1HB       LEU   6   1.920  -5.461   1.038
   42   2HB   LEU   6          2HB       LEU   6   3.387  -4.950   0.228
   43    HG   LEU   6           HG       LEU   6   0.904  -5.888  -1.214
   44   1HD1  LEU   6          1HD1      LEU   6   1.884  -3.089  -0.676
   45   2HD1  LEU   6          2HD1      LEU   6   0.440  -3.838   0.010
   46   3HD1  LEU   6          3HD1      LEU   6   0.533  -3.524  -1.724
   47   1HD2  LEU   6          1HD2      LEU   6   2.948  -6.168  -2.499
   48   2HD2  LEU   6          2HD2      LEU   6   3.397  -4.493  -2.173
   49   3HD2  LEU   6          3HD2      LEU   6   1.977  -4.851  -3.158
   50    H    ASP   7           H        ASP   7   5.256  -8.176   0.677
   51    HA   ASP   7           HA       ASP   7   4.831  -8.192   3.571
   52   1HB   ASP   7          1HB       ASP   7   7.105  -9.330   1.917
   53   2HB   ASP   7          2HB       ASP   7   6.972  -9.462   3.665
   54    H    ILE   8           H        ILE   8   5.121  -6.152   4.325
   55    HA   ILE   8           HA       ILE   8   7.415  -4.610   3.350
   56    HB   ILE   8           HB       ILE   8   4.969  -3.758   4.901
   57   1HG1  ILE   8          1HG1      ILE   8   4.516  -4.212   2.554
   58   2HG1  ILE   8          2HG1      ILE   8   4.460  -2.478   2.846
   59   1HG2  ILE   8          1HG2      ILE   8   6.867  -2.424   5.618
   60   2HG2  ILE   8          2HG2      ILE   8   5.773  -1.456   4.631
   61   3HG2  ILE   8          3HG2      ILE   8   7.273  -2.070   3.941
   62   1HD1  ILE   8          1HD1      ILE   8   6.708  -2.254   1.906
   63   2HD1  ILE   8          2HD1      ILE   8   5.579  -2.967   0.756
   64   3HD1  ILE   8          3HD1      ILE   8   6.744  -3.991   1.596
   65    HA   PRO   9           HA       PRO   9   9.631  -5.592   7.110
   66   1HB   PRO   9          1HB       PRO   9  11.378  -3.413   6.125
   67   2HB   PRO   9          2HB       PRO   9  11.780  -5.089   6.517
   68   1HG   PRO   9          1HG       PRO   9  11.681  -4.270   3.987
   69   2HG   PRO   9          2HG       PRO   9  11.080  -5.875   4.451
   70   1HD   PRO   9          1HD       PRO   9   9.542  -3.363   3.895
   71   2HD   PRO   9          2HD       PRO   9   9.201  -5.028   3.378
   72    H    ALA  10           H        ALA  10  10.351  -4.512   9.015
   73    HA   ALA  10           HA       ALA  10   9.046  -1.898   9.492
   74   1HB   ALA  10          1HB       ALA  10   9.648  -4.105  11.471
   75   2HB   ALA  10          2HB       ALA  10   8.060  -3.706  10.816
   76   3HB   ALA  10          3HB       ALA  10   8.901  -2.554  11.853
   77    H    GLN  11           H        GLN  11  11.612  -2.336   8.345
   78    HA   GLN  11           HA       GLN  11  13.469  -1.436  10.431
   79   1HB   GLN  11          1HB       GLN  11  14.057  -2.315   7.596
   80   2HB   GLN  11          2HB       GLN  11  15.240  -1.989   8.856
   81   1HG   GLN  11          1HG       GLN  11  14.480  -3.905  10.110
   82   2HG   GLN  11          2HG       GLN  11  13.198  -4.199   8.935
   83   1HE2  GLN  11          1HE2      GLN  11  13.703  -5.043   6.941
   84   2HE2  GLN  11          2HE2      GLN  11  15.246  -5.727   6.561
   85    H    SER  12           H        SER  12  15.249  -0.256   8.493
   86    HA   SER  12           HA       SER  12  14.422   2.368   8.283
   87   1HB   SER  12          1HB       SER  12  16.267   0.898   6.382
   88   2HB   SER  12          2HB       SER  12  16.252   2.632   6.707
   89    HG   SER  12           HG       SER  12  17.751   0.952   7.902
   90    H    MET  13           H        MET  13  13.139   3.444   6.981
   91    HA   MET  13           HA       MET  13  11.153   2.418   5.415
   92   1HB   MET  13          1HB       MET  13  11.399   4.776   6.254
   93   2HB   MET  13          2HB       MET  13  12.501   5.075   4.920
   94   1HG   MET  13          1HG       MET  13  10.455   5.910   4.197
   95   2HG   MET  13          2HG       MET  13  10.597   4.345   3.399
   96   1HE   MET  13          1HE       MET  13   9.728   5.105   7.151
   97   2HE   MET  13          2HE       MET  13   7.966   5.134   7.099
   98   3HE   MET  13          3HE       MET  13   8.890   6.386   6.268
   99    H    ASN  14           H        ASN  14  14.423   3.187   4.471
  100    HA   ASN  14           HA       ASN  14  14.274   3.136   1.707
  101   1HB   ASN  14          1HB       ASN  14  16.317   3.716   2.887
  102   2HB   ASN  14          2HB       ASN  14  16.450   2.085   3.531
  103   1HD2  ASN  14          1HD2      ASN  14  15.552   2.918   0.219
  104   2HD2  ASN  14          2HD2      ASN  14  16.964   2.233  -0.510
  105    H    SER  15           H        SER  15  14.418   0.398   3.979
  106    HA   SER  15           HA       SER  15  14.770  -1.544   1.905
  107   1HB   SER  15          1HB       SER  15  13.850  -2.036   4.747
  108   2HB   SER  15          2HB       SER  15  14.658  -3.169   3.661
  109    HG   SER  15           HG       SER  15  16.470  -2.437   4.408
  110    H    ALA  16           H        ALA  16  12.091  -0.375   3.884
  111    HA   ALA  16           HA       ALA  16  10.144  -2.210   3.049
  112   1HB   ALA  16          1HB       ALA  16   9.886  -0.769   5.002
  113   2HB   ALA  16          2HB       ALA  16   8.523  -0.608   3.896
  114   3HB   ALA  16          3HB       ALA  16   9.768   0.640   3.948
  115    H    LEU  17           H        LEU  17  11.029   0.982   1.777
  116    HA   LEU  17           HA       LEU  17   8.979   1.059  -0.168
  117   1HB   LEU  17          1HB       LEU  17  11.603   2.535  -0.011
  118   2HB   LEU  17          2HB       LEU  17  10.364   2.873  -1.204
  119    HG   LEU  17           HG       LEU  17  10.096   3.180   1.786
  120   1HD1  LEU  17          1HD1      LEU  17   9.872   5.564   1.264
  121   2HD1  LEU  17          2HD1      LEU  17  10.203   5.214  -0.433
  122   3HD1  LEU  17          3HD1      LEU  17  11.443   4.921   0.787
  123   1HD2  LEU  17          1HD2      LEU  17   8.084   3.737  -0.390
  124   2HD2  LEU  17          2HD2      LEU  17   7.893   4.116   1.321
  125   3HD2  LEU  17          3HD2      LEU  17   7.996   2.437   0.797
  126    H    GLN  18           H        GLN  18  12.430   0.165  -0.431
  127    HA   GLN  18           HA       GLN  18  12.368  -0.439  -3.170
  128   1HB   GLN  18          1HB       GLN  18  14.085  -1.617  -0.980
  129   2HB   GLN  18          2HB       GLN  18  14.367  -1.863  -2.698
  130   1HG   GLN  18          1HG       GLN  18  14.696   0.550  -2.979
  131   2HG   GLN  18          2HG       GLN  18  14.430   0.779  -1.249
  132   1HE2  GLN  18          1HE2      GLN  18  15.832  -1.743  -0.631
  133   2HE2  GLN  18          2HE2      GLN  18  17.518  -1.404  -0.807
  134    H    ALA  19           H        ALA  19  11.544  -2.379  -0.347
  135    HA   ALA  19           HA       ALA  19  11.153  -4.829  -1.699
  136   1HB   ALA  19          1HB       ALA  19  11.386  -4.684   0.735
  137   2HB   ALA  19          2HB       ALA  19   9.903  -5.520   0.276
  138   3HB   ALA  19          3HB       ALA  19   9.835  -3.849   0.833
  139    H    LEU  20           H        LEU  20   9.014  -2.078  -1.034
  140    HA   LEU  20           HA       LEU  20   6.603  -3.321  -1.882
  141   1HB   LEU  20          1HB       LEU  20   6.682  -1.312  -0.455
  142   2HB   LEU  20          2HB       LEU  20   7.386  -0.402  -1.777
  143    HG   LEU  20           HG       LEU  20   5.280  -0.829  -3.085
  144   1HD1  LEU  20          1HD1      LEU  20   4.289  -1.807  -0.409
  145   2HD1  LEU  20          2HD1      LEU  20   4.467  -2.770  -1.875
  146   3HD1  LEU  20          3HD1      LEU  20   3.280  -1.469  -1.815
  147   1HD2  LEU  20          1HD2      LEU  20   4.005   0.889  -1.922
  148   2HD2  LEU  20          2HD2      LEU  20   5.722   1.293  -1.956
  149   3HD2  LEU  20          3HD2      LEU  20   4.991   0.662  -0.479
  150    H    ALA  21           H        ALA  21   9.146  -1.504  -3.415
  151    HA   ALA  21           HA       ALA  21   7.912  -1.029  -5.919
  152   1HB   ALA  21          1HB       ALA  21   9.895   0.201  -5.140
  153   2HB   ALA  21          2HB       ALA  21  10.150  -0.531  -6.724
  154   3HB   ALA  21          3HB       ALA  21  10.853  -1.273  -5.285
  155    H    LYS  22           H        LYS  22   9.958  -3.598  -4.656
  156    HA   LYS  22           HA       LYS  22  10.280  -5.084  -7.008
  157   1HB   LYS  22          1HB       LYS  22  11.614  -5.467  -4.989
  158   2HB   LYS  22          2HB       LYS  22  10.187  -6.036  -4.136
  159   1HG   LYS  22          1HG       LYS  22  10.026  -7.867  -5.856
  160   2HG   LYS  22          2HG       LYS  22  11.611  -7.354  -6.434
  161   1HD   LYS  22          1HD       LYS  22  11.831  -9.216  -4.888
  162   2HD   LYS  22          2HD       LYS  22  12.541  -7.757  -4.196
  163   1HE   LYS  22          1HE       LYS  22  10.589  -7.404  -2.828
  164   2HE   LYS  22          2HE       LYS  22   9.759  -8.751  -3.600
  165   1HZ   LYS  22          1HZ       LYS  22  11.392 -10.256  -2.672
  166   2HZ   LYS  22          2HZ       LYS  22  10.646  -9.360  -1.434
  167   3HZ   LYS  22          3HZ       LYS  22  12.217  -8.966  -1.940
  168    H    GLN  23           H        GLN  23   7.749  -5.139  -4.547
  169    HA   GLN  23           HA       GLN  23   6.440  -7.471  -5.398
  170   1HB   GLN  23          1HB       GLN  23   5.772  -5.195  -3.649
  171   2HB   GLN  23          2HB       GLN  23   4.398  -6.049  -4.332
  172   1HG   GLN  23          1HG       GLN  23   4.735  -7.115  -2.313
  173   2HG   GLN  23          2HG       GLN  23   5.546  -8.174  -3.464
  174   1HE2  GLN  23          1HE2      GLN  23   5.942  -5.910  -0.869
  175   2HE2  GLN  23          2HE2      GLN  23   7.607  -6.246  -0.554
  176    H    THR  24           H        THR  24   6.156  -4.137  -6.538
  177    HA   THR  24           HA       THR  24   3.974  -5.033  -8.302
  178    HB   THR  24           HB       THR  24   3.389  -2.532  -8.360
  179    HG1  THR  24           HG1      THR  24   4.771  -2.503  -5.874
  180   1HG2  THR  24          1HG2      THR  24   2.031  -4.223  -7.205
  181   2HG2  THR  24          2HG2      THR  24   2.063  -2.704  -6.308
  182   3HG2  THR  24          3HG2      THR  24   3.052  -4.066  -5.777
  183    H    ASP  25           H        ASP  25   7.124  -4.497  -8.456
  184    HA   ASP  25           HA       ASP  25   8.667  -3.786  -9.960
  185   1HB   ASP  25          1HB       ASP  25   6.532  -4.977 -11.470
  186   2HB   ASP  25          2HB       ASP  25   7.252  -3.663 -12.395
  187    H    THR  26           H        THR  26   7.362  -1.762  -8.590
  188    HA   THR  26           HA       THR  26   6.793   0.305 -10.579
  189    HB   THR  26           HB       THR  26   6.077   1.624  -8.505
  190    HG1  THR  26           HG1      THR  26   5.579  -0.731  -7.155
  191   1HG2  THR  26          1HG2      THR  26   3.897   0.515  -8.401
  192   2HG2  THR  26          2HG2      THR  26   4.579  -0.902  -9.200
  193   3HG2  THR  26          3HG2      THR  26   4.475   0.632 -10.065
  194    H    GLN  27           H        GLN  27   7.711   2.396 -10.340
  195    HA   GLN  27           HA       GLN  27  10.389   2.343  -9.144
  196   1HB   GLN  27          1HB       GLN  27   9.182   4.003 -11.349
  197   2HB   GLN  27          2HB       GLN  27  10.697   4.444 -10.570
  198   1HG   GLN  27          1HG       GLN  27  10.163   1.848 -12.007
  199   2HG   GLN  27          2HG       GLN  27  11.047   3.224 -12.666
  200   1HE2  GLN  27          1HE2      GLN  27  12.349   3.848 -10.148
  201   2HE2  GLN  27          2HE2      GLN  27  13.549   2.630  -9.888
  202    H    LEU  28           H        LEU  28  10.688   3.405  -7.327
  203    HA   LEU  28           HA       LEU  28   8.636   5.333  -6.498
  204   1HB   LEU  28          1HB       LEU  28  10.635   3.841  -4.792
  205   2HB   LEU  28          2HB       LEU  28   9.385   4.920  -4.206
  206    HG   LEU  28           HG       LEU  28   8.983   2.232  -5.517
  207   1HD1  LEU  28          1HD1      LEU  28   8.334   3.216  -2.745
  208   2HD1  LEU  28          2HD1      LEU  28   9.713   2.203  -3.170
  209   3HD1  LEU  28          3HD1      LEU  28   8.072   1.589  -3.374
  210   1HD2  LEU  28          1HD2      LEU  28   6.913   4.198  -4.550
  211   2HD2  LEU  28          2HD2      LEU  28   6.602   2.566  -5.145
  212   3HD2  LEU  28          3HD2      LEU  28   7.243   3.797  -6.235
  213    H    LEU  29           H        LEU  29   9.166   7.384  -6.546
  214    HA   LEU  29           HA       LEU  29  11.998   8.109  -6.712
  215   1HB   LEU  29          1HB       LEU  29   9.465   9.615  -7.351
  216   2HB   LEU  29          2HB       LEU  29  11.023  10.407  -7.267
  217    HG   LEU  29           HG       LEU  29  10.567  10.002  -9.562
  218   1HD1  LEU  29          1HD1      LEU  29  12.513   7.956  -8.523
  219   2HD1  LEU  29          2HD1      LEU  29  12.862   9.625  -8.977
  220   3HD1  LEU  29          3HD1      LEU  29  12.382   8.457 -10.207
  221   1HD2  LEU  29          1HD2      LEU  29  10.062   7.120  -8.839
  222   2HD2  LEU  29          2HD2      LEU  29  10.060   7.795 -10.467
  223   3HD2  LEU  29          3HD2      LEU  29   8.838   8.301  -9.302
  224    H    TYR  30           H        TYR  30  12.917   8.481  -4.851
  225    HA   TYR  30           HA       TYR  30  11.887  10.383  -2.991
  226   1HB   TYR  30          1HB       TYR  30  11.513   8.974  -1.097
  227   2HB   TYR  30          2HB       TYR  30  10.586   8.272  -2.417
  228    HD1  TYR  30           HD1      TYR  30  11.400   6.188  -3.523
  229    HD2  TYR  30           HD2      TYR  30  13.293   7.781  -0.061
  230    HE1  TYR  30           HE1      TYR  30  12.517   4.030  -3.145
  231    HE2  TYR  30           HE2      TYR  30  14.416   5.630   0.323
  232    HH   TYR  30           HH       TYR  30  14.429   3.120  -2.019
  233    H    SER  31           H        SER  31  13.417  10.661  -1.167
  234    HA   SER  31           HA       SER  31  16.071   9.573  -1.807
  235   1HB   SER  31          1HB       SER  31  15.454  12.397  -0.913
  236   2HB   SER  31          2HB       SER  31  17.067  11.738  -1.186
  237    HG   SER  31           HG       SER  31  14.997  12.136  -3.097
  238    HA   PRO  32           HA       PRO  32  15.624   8.048   2.389
  239   1HB   PRO  32          1HB       PRO  32  18.482   7.386   1.951
  240   2HB   PRO  32          2HB       PRO  32  17.146   6.340   2.442
  241   1HG   PRO  32          1HG       PRO  32  18.151   6.195  -0.018
  242   2HG   PRO  32          2HG       PRO  32  16.407   6.036   0.266
  243   1HD   PRO  32          1HD       PRO  32  17.956   8.389  -0.754
  244   2HD   PRO  32          2HD       PRO  32  16.378   7.762  -1.281
  245    H    GLU  33           H        GLU  33  17.927  10.312   1.179
  246    HA   GLU  33           HA       GLU  33  19.096  11.040   3.672
  247   1HB   GLU  33          1HB       GLU  33  18.850  12.683   1.144
  248   2HB   GLU  33          2HB       GLU  33  19.938  13.003   2.482
  249   1HG   GLU  33          1HG       GLU  33  21.232  12.042   0.764
  250   2HG   GLU  33          2HG       GLU  33  21.032  10.798   1.996
  251    H    ASP  34           H        ASP  34  16.303  12.078   1.824
  252    HA   ASP  34           HA       ASP  34  15.739  14.409   3.357
  253   1HB   ASP  34          1HB       ASP  34  14.014  12.803   1.464
  254   2HB   ASP  34          2HB       ASP  34  13.502  14.308   2.215
  255    H    ILE  35           H        ILE  35  15.184  11.091   3.948
  256    HA   ILE  35           HA       ILE  35  12.902  11.677   5.697
  257    HB   ILE  35           HB       ILE  35  12.556   9.266   5.849
  258   1HG1  ILE  35          1HG1      ILE  35  14.897   9.044   3.943
  259   2HG1  ILE  35          2HG1      ILE  35  14.915   8.566   5.638
  260   1HG2  ILE  35          1HG2      ILE  35  12.850  10.283   3.028
  261   2HG2  ILE  35          2HG2      ILE  35  11.441  10.466   4.076
  262   3HG2  ILE  35          3HG2      ILE  35  11.916   8.866   3.505
  263   1HD1  ILE  35          1HD1      ILE  35  13.221   6.873   5.169
  264   2HD1  ILE  35          2HD1      ILE  35  14.667   6.644   4.188
  265   3HD1  ILE  35          3HD1      ILE  35  13.219   7.349   3.473
  266    H    GLY  36           H        GLY  36  16.234  11.275   5.845
  267   1HA   GLY  36          1HA       GLY  36  17.685  11.276   7.615
  268   2HA   GLY  36          2HA       GLY  36  16.309  11.660   8.635
  269    H    GLY  37           H        GLY  37  16.024   8.774   6.826
  270   1HA   GLY  37          1HA       GLY  37  16.310   6.545   7.379
  271   2HA   GLY  37          2HA       GLY  37  17.253   7.051   8.772
  272    H    LEU  38           H        LEU  38  13.888   7.210   7.624
  273    HA   LEU  38           HA       LEU  38  12.896   6.932  10.337
  274   1HB   LEU  38          1HB       LEU  38  11.489   7.089   7.669
  275   2HB   LEU  38          2HB       LEU  38  10.662   6.965   9.208
  276    HG   LEU  38           HG       LEU  38  12.463   9.249   8.404
  277   1HD1  LEU  38          1HD1      LEU  38   9.457   9.073   8.524
  278   2HD1  LEU  38          2HD1      LEU  38  10.435   9.210   7.061
  279   3HD1  LEU  38          3HD1      LEU  38  10.391  10.539   8.222
  280   1HD2  LEU  38          1HD2      LEU  38  12.392   8.863  10.815
  281   2HD2  LEU  38          2HD2      LEU  38  10.628   8.896  10.772
  282   3HD2  LEU  38          3HD2      LEU  38  11.547  10.349  10.379
  283    H    ARG  39           H        ARG  39  11.577   5.156  11.029
  284    HA   ARG  39           HA       ARG  39  12.101   2.664   9.589
  285   1HB   ARG  39          1HB       ARG  39  11.096   1.582  11.634
  286   2HB   ARG  39          2HB       ARG  39  12.599   2.442  11.903
  287   1HG   ARG  39          1HG       ARG  39  11.328   4.354  12.782
  288   2HG   ARG  39          2HG       ARG  39   9.832   3.453  12.529
  289   1HD   ARG  39          1HD       ARG  39  10.472   3.268  14.840
  290   2HD   ARG  39          2HD       ARG  39  10.677   1.703  14.059
  291    HE   ARG  39           HE       ARG  39  13.068   3.316  14.126
  292   1HH1  ARG  39          1HH1      ARG  39  11.129   0.942  15.842
  293   2HH1  ARG  39          2HH1      ARG  39  12.465   0.351  16.785
  294   1HH2  ARG  39          1HH2      ARG  39  14.820   2.552  15.387
  295   2HH2  ARG  39          2HH2      ARG  39  14.551   1.293  16.564
  296    H    SER  40           H        SER  40  10.517   1.379   8.794
  297    HA   SER  40           HA       SER  40   7.996   2.710   8.265
  298   1HB   SER  40          1HB       SER  40   7.683   0.656   6.768
  299   2HB   SER  40          2HB       SER  40   8.988   1.762   6.343
  300    HG   SER  40           HG       SER  40   9.090  -0.850   7.246
  301    H    SER  41           H        SER  41   5.965   1.715   8.587
  302    HA   SER  41           HA       SER  41   5.825   0.053  10.957
  303   1HB   SER  41          1HB       SER  41   4.319   2.079  10.471
  304   2HB   SER  41          2HB       SER  41   3.499   1.045   9.303
  305    HG   SER  41           HG       SER  41   3.788   0.563  12.091
  306    H    ALA  42           H        ALA  42   5.356  -2.069  10.962
  307    HA   ALA  42           HA       ALA  42   5.732  -3.616   8.671
  308   1HB   ALA  42          1HB       ALA  42   6.144  -4.427  10.944
  309   2HB   ALA  42          2HB       ALA  42   5.090  -5.514  10.041
  310   3HB   ALA  42          3HB       ALA  42   4.409  -4.432  11.255
  311    H    LEU  43           H        LEU  43   4.393  -3.263   6.992
  312    HA   LEU  43           HA       LEU  43   1.551  -3.913   7.405
  313   1HB   LEU  43          1HB       LEU  43   2.837  -2.167   5.298
  314   2HB   LEU  43          2HB       LEU  43   1.154  -2.647   5.280
  315    HG   LEU  43           HG       LEU  43   2.468  -0.954   7.407
  316   1HD1  LEU  43          1HD1      LEU  43   0.537  -0.253   5.199
  317   2HD1  LEU  43          2HD1      LEU  43   2.228   0.234   5.304
  318   3HD1  LEU  43          3HD1      LEU  43   1.062   0.838   6.482
  319   1HD2  LEU  43          1HD2      LEU  43   0.172  -0.631   8.230
  320   2HD2  LEU  43          2HD2      LEU  43   0.676  -2.318   8.327
  321   3HD2  LEU  43          3HD2      LEU  43  -0.408  -1.797   7.040
  322    H    LYS  44           H        LYS  44   2.017  -6.157   7.203
  323    HA   LYS  44           HA       LYS  44   2.738  -6.939   4.464
  324   1HB   LYS  44          1HB       LYS  44   3.446  -9.145   5.525
  325   2HB   LYS  44          2HB       LYS  44   4.486  -7.755   5.781
  326   1HG   LYS  44          1HG       LYS  44   3.472  -7.459   8.017
  327   2HG   LYS  44          2HG       LYS  44   2.534  -8.932   7.748
  328   1HD   LYS  44          1HD       LYS  44   4.564 -10.230   7.531
  329   2HD   LYS  44          2HD       LYS  44   5.548  -8.772   7.677
  330   1HE   LYS  44          1HE       LYS  44   4.715  -8.439   9.951
  331   2HE   LYS  44          2HE       LYS  44   3.721  -9.888   9.803
  332   1HZ   LYS  44          1HZ       LYS  44   5.800 -10.306  10.987
  333   2HZ   LYS  44          2HZ       LYS  44   6.689  -9.823   9.626
  334   3HZ   LYS  44          3HZ       LYS  44   5.711 -11.209   9.552
  335    H    GLY  45           H        GLY  45   1.182  -7.703   3.328
  336   1HA   GLY  45          1HA       GLY  45  -0.629  -9.691   3.985
  337   2HA   GLY  45          2HA       GLY  45  -1.413  -8.163   4.378
  338    H    ARG  46           H        ARG  46  -2.942  -8.804   2.668
  339    HA   ARG  46           HA       ARG  46  -1.882  -8.174   0.009
  340   1HB   ARG  46          1HB       ARG  46  -3.733  -9.587  -0.885
  341   2HB   ARG  46          2HB       ARG  46  -2.510 -10.478   0.002
  342   1HG   ARG  46          1HG       ARG  46  -3.924 -10.781   1.852
  343   2HG   ARG  46          2HG       ARG  46  -5.056  -9.555   1.273
  344   1HD   ARG  46          1HD       ARG  46  -4.524 -12.010  -0.350
  345   2HD   ARG  46          2HD       ARG  46  -5.653 -12.062   1.007
  346    HE   ARG  46           HE       ARG  46  -6.149  -9.888  -0.799
  347   1HH1  ARG  46          1HH1      ARG  46  -6.721 -13.293  -0.241
  348   2HH1  ARG  46          2HH1      ARG  46  -8.236 -13.309  -1.092
  349   1HH2  ARG  46          1HH2      ARG  46  -8.144  -9.893  -1.917
  350   2HH2  ARG  46          2HH2      ARG  46  -9.028 -11.391  -2.061
  351    H    HIS  47           H        HIS  47  -2.537  -6.191  -0.537
  352    HA   HIS  47           HA       HIS  47  -5.359  -5.595  -0.530
  353   1HB   HIS  47          1HB       HIS  47  -3.477  -4.161   1.296
  354   2HB   HIS  47          2HB       HIS  47  -4.759  -3.241   0.516
  355    HD1  HIS  47           HD1      HIS  47  -6.935  -5.572   0.730
  356    HD2  HIS  47           HD2      HIS  47  -4.553  -4.120   3.829
  357    HE1  HIS  47           HE1      HIS  47  -8.194  -6.061   2.853
  358    HE2  HIS  47           HE2      HIS  47  -6.769  -5.126   4.709
  359    H    ASP  48           H        ASP  48  -5.590  -3.173  -1.302
  360    HA   ASP  48           HA       ASP  48  -4.450  -3.021  -3.882
  361   1HB   ASP  48          1HB       ASP  48  -6.627  -2.116  -3.546
  362   2HB   ASP  48          2HB       ASP  48  -6.078  -1.095  -2.224
  363    H    LEU  49           H        LEU  49  -2.917  -1.574  -4.730
  364    HA   LEU  49           HA       LEU  49  -0.677  -1.149  -3.090
  365   1HB   LEU  49          1HB       LEU  49  -0.593  -1.438  -5.547
  366   2HB   LEU  49          2HB       LEU  49  -1.293   0.156  -5.741
  367    HG   LEU  49           HG       LEU  49   0.696   1.135  -4.629
  368   1HD1  LEU  49          1HD1      LEU  49   1.339  -0.807  -3.288
  369   2HD1  LEU  49          2HD1      LEU  49   2.679  -0.244  -4.288
  370   3HD1  LEU  49          3HD1      LEU  49   1.769  -1.679  -4.758
  371   1HD2  LEU  49          1HD2      LEU  49   0.578   0.999  -7.062
  372   2HD2  LEU  49          2HD2      LEU  49   1.299  -0.610  -7.010
  373   3HD2  LEU  49          3HD2      LEU  49   2.234   0.793  -6.495
  374    H    GLN  50           H        GLN  50  -2.813   1.278  -4.590
  375    HA   GLN  50           HA       GLN  50  -1.666   3.517  -3.350
  376   1HB   GLN  50          1HB       GLN  50  -3.183   3.601  -5.301
  377   2HB   GLN  50          2HB       GLN  50  -4.526   3.140  -4.265
  378   1HG   GLN  50          1HG       GLN  50  -4.240   5.209  -2.985
  379   2HG   GLN  50          2HG       GLN  50  -2.903   5.667  -4.041
  380   1HE2  GLN  50          1HE2      GLN  50  -5.799   4.055  -5.139
  381   2HE2  GLN  50          2HE2      GLN  50  -6.417   5.379  -6.069
  382    H    SER  51           H        SER  51  -4.167   1.311  -2.326
  383    HA   SER  51           HA       SER  51  -5.083   2.711  -0.065
  384   1HB   SER  51          1HB       SER  51  -6.131   0.698  -1.243
  385   2HB   SER  51          2HB       SER  51  -5.004  -0.296  -0.325
  386    HG   SER  51           HG       SER  51  -7.306   0.943   0.467
  387    H    SER  52           H        SER  52  -2.531   0.215  -0.386
  388    HA   SER  52           HA       SER  52  -1.935   0.062   2.357
  389   1HB   SER  52          1HB       SER  52   0.177  -1.005   1.684
  390   2HB   SER  52          2HB       SER  52  -1.193  -1.658   0.792
  391    HG   SER  52           HG       SER  52  -0.575  -0.173  -0.926
  392    H    LEU  53           H        LEU  53  -0.338   1.985  -0.204
  393    HA   LEU  53           HA       LEU  53   1.475   3.301   1.457
  394   1HB   LEU  53          1HB       LEU  53   0.186   4.110  -1.132
  395   2HB   LEU  53          2HB       LEU  53   1.312   5.168  -0.304
  396    HG   LEU  53           HG       LEU  53   2.878   3.073  -0.376
  397   1HD1  LEU  53          1HD1      LEU  53   1.267   1.503  -1.255
  398   2HD1  LEU  53          2HD1      LEU  53   2.582   1.746  -2.407
  399   3HD1  LEU  53          3HD1      LEU  53   1.020   2.522  -2.672
  400   1HD2  LEU  53          1HD2      LEU  53   2.297   4.764  -2.799
  401   2HD2  LEU  53          2HD2      LEU  53   3.786   3.867  -2.504
  402   3HD2  LEU  53          3HD2      LEU  53   3.341   5.206  -1.446
  403    H    ARG  54           H        ARG  54  -1.923   3.882   0.916
  404    HA   ARG  54           HA       ARG  54  -2.088   6.463   2.004
  405   1HB   ARG  54          1HB       ARG  54  -3.922   5.397   0.739
  406   2HB   ARG  54          2HB       ARG  54  -4.171   4.272   2.066
  407   1HG   ARG  54          1HG       ARG  54  -4.860   6.062   3.522
  408   2HG   ARG  54          2HG       ARG  54  -4.477   7.260   2.283
  409   1HD   ARG  54          1HD       ARG  54  -6.883   6.820   2.385
  410   2HD   ARG  54          2HD       ARG  54  -6.204   6.333   0.834
  411    HE   ARG  54           HE       ARG  54  -6.361   4.196   2.767
  412   1HH1  ARG  54          1HH1      ARG  54  -8.050   5.915   0.212
  413   2HH1  ARG  54          2HH1      ARG  54  -9.156   4.611  -0.104
  414   1HH2  ARG  54          1HH2      ARG  54  -7.784   2.485   2.347
  415   2HH2  ARG  54          2HH2      ARG  54  -8.976   2.635   1.093
  416    H    ILE  55           H        ILE  55  -2.038   3.283   3.496
  417    HA   ILE  55           HA       ILE  55  -2.635   4.214   6.134
  418    HB   ILE  55           HB       ILE  55  -1.258   1.649   5.314
  419   1HG1  ILE  55          1HG1      ILE  55  -4.196   2.135   5.862
  420   2HG1  ILE  55          2HG1      ILE  55  -3.497   1.973   4.254
  421   1HG2  ILE  55          1HG2      ILE  55  -2.694   2.415   7.855
  422   2HG2  ILE  55          2HG2      ILE  55  -0.959   2.173   7.665
  423   3HG2  ILE  55          3HG2      ILE  55  -2.064   0.812   7.482
  424   1HD1  ILE  55          1HD1      ILE  55  -4.558  -0.086   4.994
  425   2HD1  ILE  55          2HD1      ILE  55  -3.490  -0.139   6.397
  426   3HD1  ILE  55          3HD1      ILE  55  -2.823  -0.308   4.772
  427    H    LEU  56           H        LEU  56   0.328   3.244   4.448
  428    HA   LEU  56           HA       LEU  56   2.030   3.499   6.683
  429   1HB   LEU  56          1HB       LEU  56   2.364   2.195   4.492
  430   2HB   LEU  56          2HB       LEU  56   2.917   3.713   3.816
  431    HG   LEU  56           HG       LEU  56   4.200   2.515   6.266
  432   1HD1  LEU  56          1HD1      LEU  56   4.906   2.028   3.375
  433   2HD1  LEU  56          2HD1      LEU  56   4.318   0.831   4.531
  434   3HD1  LEU  56          3HD1      LEU  56   5.902   1.575   4.758
  435   1HD2  LEU  56          1HD2      LEU  56   5.224   4.423   4.162
  436   2HD2  LEU  56          2HD2      LEU  56   6.102   3.872   5.591
  437   3HD2  LEU  56          3HD2      LEU  56   4.663   4.878   5.772
  438    H    LEU  57           H        LEU  57   1.482   5.669   3.893
  439    HA   LEU  57           HA       LEU  57   3.386   7.568   4.860
  440   1HB   LEU  57          1HB       LEU  57   1.413   7.561   2.614
  441   2HB   LEU  57          2HB       LEU  57   2.230   9.047   3.062
  442    HG   LEU  57           HG       LEU  57   4.418   7.853   2.706
  443   1HD1  LEU  57          1HD1      LEU  57   3.632   5.561   2.918
  444   2HD1  LEU  57          2HD1      LEU  57   4.411   5.822   1.356
  445   3HD1  LEU  57          3HD1      LEU  57   2.652   5.755   1.465
  446   1HD2  LEU  57          1HD2      LEU  57   3.533   9.372   1.049
  447   2HD2  LEU  57          2HD2      LEU  57   2.542   8.085   0.364
  448   3HD2  LEU  57          3HD2      LEU  57   4.300   7.994   0.256
  449    H    GLN  58           H        GLN  58  -0.066   7.182   5.192
  450    HA   GLN  58           HA       GLN  58  -0.965   9.520   6.206
  451   1HB   GLN  58          1HB       GLN  58  -2.306   7.472   6.103
  452   2HB   GLN  58          2HB       GLN  58  -1.400   6.801   7.449
  453   1HG   GLN  58          1HG       GLN  58  -2.236   8.611   8.886
  454   2HG   GLN  58          2HG       GLN  58  -3.187   9.219   7.533
  455   1HE2  GLN  58          1HE2      GLN  58  -2.702   5.819   8.139
  456   2HE2  GLN  58          2HE2      GLN  58  -4.327   5.474   8.613
  457    H    GLY  59           H        GLY  59   0.938   7.151   8.065
  458   1HA   GLY  59          1HA       GLY  59   0.875   8.769  10.445
  459   2HA   GLY  59          2HA       GLY  59   1.774   7.278  10.220
  460    H    THR  60           H        THR  60   2.921   8.617   7.691
  461    HA   THR  60           HA       THR  60   5.149   9.829   9.155
  462    HB   THR  60           HB       THR  60   6.348   9.494   6.913
  463    HG1  THR  60           HG1      THR  60   4.485   7.479   6.380
  464   1HG2  THR  60          1HG2      THR  60   5.377   7.083   8.451
  465   2HG2  THR  60          2HG2      THR  60   6.762   8.091   8.867
  466   3HG2  THR  60          3HG2      THR  60   6.785   7.126   7.390
  467    H    GLY  61           H        GLY  61   2.469  10.982   7.841
  468   1HA   GLY  61          1HA       GLY  61   1.810  12.949   6.882
  469   2HA   GLY  61          2HA       GLY  61   3.321  13.598   7.494
  470    H    LEU  62           H        LEU  62   3.247  10.998   5.138
  471    HA   LEU  62           HA       LEU  62   4.619  12.810   3.283
  472   1HB   LEU  62          1HB       LEU  62   4.516   9.793   3.361
  473   2HB   LEU  62          2HB       LEU  62   5.405  10.738   2.181
  474    HG   LEU  62           HG       LEU  62   5.944  10.665   5.152
  475   1HD1  LEU  62          1HD1      LEU  62   7.467   9.515   2.819
  476   2HD1  LEU  62          2HD1      LEU  62   6.590   8.605   4.051
  477   3HD1  LEU  62          3HD1      LEU  62   8.022   9.536   4.493
  478   1HD2  LEU  62          1HD2      LEU  62   7.412  12.093   2.932
  479   2HD2  LEU  62          2HD2      LEU  62   7.938  11.984   4.612
  480   3HD2  LEU  62          3HD2      LEU  62   6.459  12.853   4.208
  481    H    ARG  63           H        ARG  63   4.233  12.511   0.973
  482    HA   ARG  63           HA       ARG  63   1.448  11.740   0.396
  483   1HB   ARG  63          1HB       ARG  63   3.051  14.053  -0.696
  484   2HB   ARG  63          2HB       ARG  63   1.565  13.478  -1.440
  485   1HG   ARG  63          1HG       ARG  63   0.348  13.962   0.621
  486   2HG   ARG  63          2HG       ARG  63   1.838  14.559   1.357
  487   1HD   ARG  63          1HD       ARG  63   0.425  16.381   0.497
  488   2HD   ARG  63          2HD       ARG  63   1.994  16.312  -0.305
  489    HE   ARG  63           HE       ARG  63   0.183  14.816  -1.827
  490   1HH1  ARG  63          1HH1      ARG  63   0.685  18.145  -0.869
  491   2HH1  ARG  63          2HH1      ARG  63   0.024  18.803  -2.337
  492   1HH2  ARG  63          1HH2      ARG  63  -0.714  15.693  -3.760
  493   2HH2  ARG  63          2HH2      ARG  63  -0.792  17.416  -3.958
  494    H    TYR  64           H        TYR  64   1.073  10.785  -1.637
  495    HA   TYR  64           HA       TYR  64   3.486   9.899  -3.052
  496   1HB   TYR  64          1HB       TYR  64   2.501   7.634  -3.282
  497   2HB   TYR  64          2HB       TYR  64   2.858   8.056  -1.614
  498    HD1  TYR  64           HD1      TYR  64   0.841   9.039  -0.250
  499    HD2  TYR  64           HD2      TYR  64   0.436   6.735  -3.801
  500    HE1  TYR  64           HE1      TYR  64  -1.457   8.467   0.392
  501    HE2  TYR  64           HE2      TYR  64  -1.866   6.154  -3.167
  502    HH   TYR  64           HH       TYR  64  -3.228   5.999  -1.132
  503    H    GLN  65           H        GLN  65   3.409  10.304  -5.103
  504    HA   GLN  65           HA       GLN  65   0.818  10.693  -6.435
  505   1HB   GLN  65          1HB       GLN  65   3.574  11.372  -7.481
  506   2HB   GLN  65          2HB       GLN  65   2.028  11.924  -8.114
  507   1HG   GLN  65          1HG       GLN  65   1.648  13.246  -6.123
  508   2HG   GLN  65          2HG       GLN  65   3.145  12.643  -5.412
  509   1HE2  GLN  65          1HE2      GLN  65   4.530  12.757  -8.016
  510   2HE2  GLN  65          2HE2      GLN  65   4.875  14.429  -8.282
  511    H    ILE  66           H        ILE  66   0.087   9.036  -7.666
  512    HA   ILE  66           HA       ILE  66   2.084   7.070  -8.578
  513    HB   ILE  66           HB       ILE  66  -0.825   6.630  -7.895
  514   1HG1  ILE  66          1HG1      ILE  66   1.780   5.710  -6.670
  515   2HG1  ILE  66          2HG1      ILE  66   0.534   6.700  -5.921
  516   1HG2  ILE  66          1HG2      ILE  66  -0.454   4.282  -8.482
  517   2HG2  ILE  66          2HG2      ILE  66   1.178   4.670  -9.024
  518   3HG2  ILE  66          3HG2      ILE  66  -0.216   5.335  -9.877
  519   1HD1  ILE  66          1HD1      ILE  66  -0.984   4.796  -5.921
  520   2HD1  ILE  66          2HD1      ILE  66   0.518   4.422  -5.068
  521   3HD1  ILE  66          3HD1      ILE  66   0.254   3.809  -6.703
  522    H    ASP  67           H        ASP  67   2.453   7.024 -10.633
  523    HA   ASP  67           HA       ASP  67   0.266   7.539 -12.526
  524   1HB   ASP  67          1HB       ASP  67   1.718   9.565 -12.313
  525   2HB   ASP  67          2HB       ASP  67   3.093   8.588 -12.818
  526    H    GLY  68           H        GLY  68  -0.011   5.528 -13.334
  527   1HA   GLY  68          1HA       GLY  68   0.455   3.600 -14.507
  528   2HA   GLY  68          2HA       GLY  68   2.009   4.309 -14.929
  529    H    ASN  69           H        ASN  69   3.808   3.593 -13.941
  530    HA   ASN  69           HA       ASN  69   3.465   1.919 -11.532
  531   1HB   ASN  69          1HB       ASN  69   5.211   0.448 -12.211
  532   2HB   ASN  69          2HB       ASN  69   4.167   0.623 -13.614
  533   1HD2  ASN  69          1HD2      ASN  69   7.016  -0.113 -13.319
  534   2HD2  ASN  69          2HD2      ASN  69   7.891   0.978 -14.345
  535    H    THR  70           H        THR  70   4.034   4.805 -12.102
  536    HA   THR  70           HA       THR  70   6.699   5.058 -10.878
  537    HB   THR  70           HB       THR  70   5.150   7.179 -12.379
  538    HG1  THR  70           HG1      THR  70   6.440   5.017 -13.334
  539   1HG2  THR  70          1HG2      THR  70   6.870   8.036 -10.863
  540   2HG2  THR  70          2HG2      THR  70   7.325   8.292 -12.548
  541   3HG2  THR  70          3HG2      THR  70   8.069   6.989 -11.620
  542    H    VAL  71           H        VAL  71   6.688   5.611  -8.791
  543    HA   VAL  71           HA       VAL  71   4.370   7.122  -7.760
  544    HB   VAL  71           HB       VAL  71   5.936   5.062  -6.207
  545   1HG1  VAL  71          1HG1      VAL  71   3.370   6.518  -5.596
  546   2HG1  VAL  71          2HG1      VAL  71   4.933   6.774  -4.820
  547   3HG1  VAL  71          3HG1      VAL  71   4.080   5.243  -4.603
  548   1HG2  VAL  71          1HG2      VAL  71   4.732   3.934  -7.976
  549   2HG2  VAL  71          2HG2      VAL  71   3.249   4.787  -7.547
  550   3HG2  VAL  71          3HG2      VAL  71   3.950   3.619  -6.428
  551    H    THR  72           H        THR  72   4.850   8.949  -6.731
  552    HA   THR  72           HA       THR  72   7.684   9.489  -6.147
  553    HB   THR  72           HB       THR  72   5.479  11.537  -6.405
  554    HG1  THR  72           HG1      THR  72   6.558  10.021  -8.330
  555   1HG2  THR  72          1HG2      THR  72   7.340  13.076  -6.831
  556   2HG2  THR  72          2HG2      THR  72   8.485  11.750  -6.629
  557   3HG2  THR  72          3HG2      THR  72   7.511  12.290  -5.262
  558    H    VAL  73           H        VAL  73   8.187   9.254  -4.072
  559    HA   VAL  73           HA       VAL  73   6.155   9.653  -2.011
  560    HB   VAL  73           HB       VAL  73   9.002   8.682  -1.679
  561   1HG1  VAL  73          1HG1      VAL  73   8.156   7.792   0.465
  562   2HG1  VAL  73          2HG1      VAL  73   6.614   8.591   0.159
  563   3HG1  VAL  73          3HG1      VAL  73   8.078   9.552   0.373
  564   1HG2  VAL  73          1HG2      VAL  73   8.048   6.423  -1.539
  565   2HG2  VAL  73          2HG2      VAL  73   7.783   7.152  -3.124
  566   3HG2  VAL  73          3HG2      VAL  73   6.462   7.077  -1.956
  567    H    THR  74           H        THR  74   5.918  11.812  -1.779
  568    HA   THR  74           HA       THR  74   8.356  13.417  -1.401
  569    HB   THR  74           HB       THR  74   7.143  14.056  -3.423
  570    HG1  THR  74           HG1      THR  74   8.095  15.677  -1.876
  571   1HG2  THR  74          1HG2      THR  74   4.805  14.571  -1.583
  572   2HG2  THR  74          2HG2      THR  74   4.904  13.327  -2.828
  573   3HG2  THR  74          3HG2      THR  74   4.885  15.029  -3.286
  574    H    ALA  75           H        ALA  75   8.405  14.921   0.258
  575    HA   ALA  75           HA       ALA  75   6.690  14.331   2.501
  576   1HB   ALA  75          1HB       ALA  75   8.185  15.820   3.749
  577   2HB   ALA  75          2HB       ALA  75   9.000  16.260   2.249
  578   3HB   ALA  75          3HB       ALA  75   9.097  14.605   2.852
  579    H    SER  76           H        SER  76   5.203  15.702   3.398
  580    HA   SER  76           HA       SER  76   4.043  17.678   1.708
  581   1HB   SER  76          1HB       SER  76   3.478  17.132   4.632
  582   2HB   SER  76          2HB       SER  76   2.417  17.952   3.487
  583    HG   SER  76           HG       SER  76   2.874  15.258   3.857
  584    H    ALA  77           H        ALA  77   5.449  19.335   1.339
  585    HA   ALA  77           HA       ALA  77   5.927  21.157   3.566
  586   1HB   ALA  77          1HB       ALA  77   8.162  20.147   1.803
  587   2HB   ALA  77          2HB       ALA  77   7.930  19.749   3.506
  588   3HB   ALA  77          3HB       ALA  77   8.300  21.407   3.030
  589    H    ALA  78           H        ALA  78   4.077  21.737   1.888
  590    HA   ALA  78           HA       ALA  78   4.708  22.897  -0.574
  591   1HB   ALA  78          1HB       ALA  78   2.529  23.655   1.370
  592   2HB   ALA  78          2HB       ALA  78   2.419  22.420   0.115
  593   3HB   ALA  78          3HB       ALA  78   2.595  24.118  -0.329
  594    H    ALA  79           H        ALA  79   5.473  24.853  -1.183
  595    HA   ALA  79           HA       ALA  79   7.010  26.368   0.649
  596   1HB   ALA  79          1HB       ALA  79   7.401  27.876  -1.240
  597   2HB   ALA  79          2HB       ALA  79   6.121  27.068  -2.147
  598   3HB   ALA  79          3HB       ALA  79   7.586  26.188  -1.717
  599    H    LYS  80           H        LYS  80   6.521  28.119   1.831
  600    HA   LYS  80           HA       LYS  80   3.838  28.791   2.321
  601   1HB   LYS  80          1HB       LYS  80   5.679  29.099   3.968
  602   2HB   LYS  80          2HB       LYS  80   6.299  30.423   2.990
  603   1HG   LYS  80          1HG       LYS  80   4.199  31.647   3.337
  604   2HG   LYS  80          2HG       LYS  80   3.617  30.332   4.357
  605   1HD   LYS  80          1HD       LYS  80   4.436  32.064   5.781
  606   2HD   LYS  80          2HD       LYS  80   5.585  30.728   5.848
  607   1HE   LYS  80          1HE       LYS  80   6.678  32.938   5.699
  608   2HE   LYS  80          2HE       LYS  80   7.083  31.876   4.351
  609   1HZ   LYS  80          1HZ       LYS  80   5.786  33.099   2.891
  610   2HZ   LYS  80          2HZ       LYS  80   6.487  34.301   3.854
  611   3HZ   LYS  80          3HZ       LYS  80   4.877  33.833   4.122
  612    H    ASP  81           H        ASP  81   2.580  30.483   1.717
  613    HA   ASP  81           HA       ASP  81   3.662  32.519  -0.073
  614   1HB   ASP  81          1HB       ASP  81   2.762  30.737  -1.555
  615   2HB   ASP  81          2HB       ASP  81   1.201  30.878  -0.749
  616    H    GLY  82           H        GLY  82   3.406  33.941   1.619
  617   1HA   GLY  82          1HA       GLY  82   1.350  35.583   1.898
  618   2HA   GLY  82          2HA       GLY  82   0.782  34.224   2.863
  Start of MODEL   16
    1   1H    SER   1          1H        SER   1  -9.414  -7.278  -9.730
    2   2H    SER   1          2H        SER   1  -9.304  -6.017  -8.598
    3   3H    SER   1          3H        SER   1 -10.728  -6.924  -8.712
    4    HA   SER   1           HA       SER   1  -9.413  -7.537  -6.784
    5   1HB   SER   1          1HB       SER   1  -9.627  -9.638  -8.956
    6   2HB   SER   1          2HB       SER   1  -9.390  -9.984  -7.242
    7    HG   SER   1           HG       SER   1 -11.397  -8.676  -6.954
    8    H    GLN   2           H        GLN   2  -7.490  -6.079  -8.297
    9    HA   GLN   2           HA       GLN   2  -5.217  -7.886  -8.548
   10   1HB   GLN   2          1HB       GLN   2  -5.505  -4.934  -9.128
   11   2HB   GLN   2          2HB       GLN   2  -4.009  -5.838  -9.327
   12   1HG   GLN   2          1HG       GLN   2  -5.148  -7.302 -10.955
   13   2HG   GLN   2          2HG       GLN   2  -6.592  -6.302 -10.799
   14   1HE2  GLN   2          1HE2      GLN   2  -6.561  -5.720 -12.953
   15   2HE2  GLN   2          2HE2      GLN   2  -5.389  -4.621 -13.597
   16    H    GLU   3           H        GLU   3  -5.779  -8.166  -6.143
   17    HA   GLU   3           HA       GLU   3  -4.320  -6.213  -4.519
   18   1HB   GLU   3          1HB       GLU   3  -6.264  -8.409  -3.792
   19   2HB   GLU   3          2HB       GLU   3  -5.248  -7.626  -2.590
   20   1HG   GLU   3          1HG       GLU   3  -7.356  -6.579  -2.490
   21   2HG   GLU   3          2HG       GLU   3  -6.269  -5.445  -3.281
   22    H    TRP   4           H        TRP   4  -2.764  -7.075  -2.969
   23    HA   TRP   4           HA       TRP   4  -1.515  -9.581  -3.859
   24   1HB   TRP   4          1HB       TRP   4  -0.082  -6.931  -3.541
   25   2HB   TRP   4          2HB       TRP   4   0.716  -8.481  -3.781
   26    HD1  TRP   4           HD1      TRP   4   0.215  -9.700  -6.217
   27    HE1  TRP   4           HE1      TRP   4  -0.125  -8.620  -8.532
   28    HE3  TRP   4           HE3      TRP   4  -0.949  -4.958  -4.714
   29    HZ2  TRP   4           HZ2      TRP   4  -0.805  -6.072  -9.570
   30    HZ3  TRP   4           HZ3      TRP   4  -1.428  -3.258  -6.424
   31    HH2  TRP   4           HH2      TRP   4  -1.357  -3.805  -8.804
   32    H    THR   5           H        THR   5   0.039 -10.432  -2.312
   33    HA   THR   5           HA       THR   5  -0.562  -9.602   0.437
   34    HB   THR   5           HB       THR   5   1.068 -11.982  -0.510
   35    HG1  THR   5           HG1      THR   5  -1.290 -11.948  -1.030
   36   1HG2  THR   5          1HG2      THR   5   1.608 -11.267   1.764
   37   2HG2  THR   5          2HG2      THR   5   0.736 -12.801   1.785
   38   3HG2  THR   5          3HG2      THR   5  -0.102 -11.303   2.195
   39    H    LEU   6           H        LEU   6   0.619  -7.838   0.871
   40    HA   LEU   6           HA       LEU   6   3.363  -7.696  -0.164
   41   1HB   LEU   6          1HB       LEU   6   1.560  -5.479   0.814
   42   2HB   LEU   6          2HB       LEU   6   3.153  -5.271   0.116
   43    HG   LEU   6           HG       LEU   6   0.733  -6.351  -1.333
   44   1HD1  LEU   6          1HD1      LEU   6   2.168  -3.713  -1.610
   45   2HD1  LEU   6          2HD1      LEU   6   0.601  -3.950  -0.837
   46   3HD1  LEU   6          3HD1      LEU   6   0.788  -4.261  -2.563
   47   1HD2  LEU   6          1HD2      LEU   6   2.797  -7.340  -2.156
   48   2HD2  LEU   6          2HD2      LEU   6   3.517  -5.738  -2.317
   49   3HD2  LEU   6          3HD2      LEU   6   2.148  -6.194  -3.330
   50    H    ASP   7           H        ASP   7   4.905  -8.133   1.244
   51    HA   ASP   7           HA       ASP   7   4.468  -7.589   4.088
   52   1HB   ASP   7          1HB       ASP   7   5.285  -9.813   3.620
   53   2HB   ASP   7          2HB       ASP   7   6.601  -9.172   2.640
   54    H    ILE   8           H        ILE   8   4.929  -5.540   4.593
   55    HA   ILE   8           HA       ILE   8   7.309  -4.288   3.420
   56    HB   ILE   8           HB       ILE   8   4.804  -3.178   4.624
   57   1HG1  ILE   8          1HG1      ILE   8   5.006  -1.621   2.686
   58   2HG1  ILE   8          2HG1      ILE   8   6.489  -2.440   2.219
   59   1HG2  ILE   8          1HG2      ILE   8   7.385  -1.622   4.488
   60   2HG2  ILE   8          2HG2      ILE   8   6.569  -2.143   5.961
   61   3HG2  ILE   8          3HG2      ILE   8   5.797  -0.969   4.895
   62   1HD1  ILE   8          1HD1      ILE   8   4.621  -3.181   0.873
   63   2HD1  ILE   8          2HD1      ILE   8   3.746  -3.672   2.325
   64   3HD1  ILE   8          3HD1      ILE   8   5.231  -4.505   1.865
   65    HA   PRO   9           HA       PRO   9   9.551  -5.208   7.136
   66   1HB   PRO   9          1HB       PRO   9  11.383  -3.119   6.109
   67   2HB   PRO   9          2HB       PRO   9  11.703  -4.820   6.476
   68   1HG   PRO   9          1HG       PRO   9  11.572  -3.970   3.956
   69   2HG   PRO   9          2HG       PRO   9  10.896  -5.545   4.423
   70   1HD   PRO   9          1HD       PRO   9   9.483  -2.941   3.953
   71   2HD   PRO   9          2HD       PRO   9   9.038  -4.574   3.413
   72    H    ALA  10           H        ALA  10  10.337  -4.213   9.031
   73    HA   ALA  10           HA       ALA  10   9.186  -1.557   9.603
   74   1HB   ALA  10          1HB       ALA  10   8.432  -3.411  11.051
   75   2HB   ALA  10          2HB       ALA  10   9.308  -2.176  11.952
   76   3HB   ALA  10          3HB       ALA  10  10.104  -3.692  11.536
   77    H    GLN  11           H        GLN  11  11.589  -1.945   8.119
   78    HA   GLN  11           HA       GLN  11  13.708  -1.057   9.933
   79   1HB   GLN  11          1HB       GLN  11  13.829  -1.574   6.952
   80   2HB   GLN  11          2HB       GLN  11  15.195  -1.293   8.017
   81   1HG   GLN  11          1HG       GLN  11  14.846  -3.389   9.118
   82   2HG   GLN  11          2HG       GLN  11  13.344  -3.652   8.228
   83   1HE2  GLN  11          1HE2      GLN  11  14.054  -5.565   7.315
   84   2HE2  GLN  11          2HE2      GLN  11  15.244  -5.605   6.056
   85    H    SER  12           H        SER  12  15.126   0.657   8.312
   86    HA   SER  12           HA       SER  12  13.762   3.074   8.228
   87   1HB   SER  12          1HB       SER  12  16.047   2.142   6.464
   88   2HB   SER  12          2HB       SER  12  15.552   3.819   6.686
   89    HG   SER  12           HG       SER  12  16.106   3.646   8.876
   90    H    MET  13           H        MET  13  12.647   4.156   6.656
   91    HA   MET  13           HA       MET  13  10.824   2.854   5.077
   92   1HB   MET  13          1HB       MET  13  10.698   5.226   5.755
   93   2HB   MET  13          2HB       MET  13  11.966   5.613   4.603
   94   1HG   MET  13          1HG       MET  13   9.876   6.226   3.650
   95   2HG   MET  13          2HG       MET  13  10.485   4.820   2.781
   96   1HE   MET  13          1HE       MET  13   7.917   6.158   5.402
   97   2HE   MET  13          2HE       MET  13   8.774   4.932   6.338
   98   3HE   MET  13          3HE       MET  13   7.081   4.684   5.899
   99    H    ASN  14           H        ASN  14  14.116   3.565   4.326
  100    HA   ASN  14           HA       ASN  14  14.181   3.375   1.559
  101   1HB   ASN  14          1HB       ASN  14  16.158   3.937   2.889
  102   2HB   ASN  14          2HB       ASN  14  16.180   2.314   3.571
  103   1HD2  ASN  14          1HD2      ASN  14  18.133   1.692   2.813
  104   2HD2  ASN  14          2HD2      ASN  14  18.499   1.491   1.129
  105    H    SER  15           H        SER  15  14.202   0.775   4.011
  106    HA   SER  15           HA       SER  15  14.507  -1.282   2.027
  107   1HB   SER  15          1HB       SER  15  13.755  -1.532   4.949
  108   2HB   SER  15          2HB       SER  15  14.322  -2.829   3.899
  109    HG   SER  15           HG       SER  15  16.056  -2.104   5.086
  110    H    ALA  16           H        ALA  16  11.882   0.054   3.977
  111    HA   ALA  16           HA       ALA  16   9.856  -1.728   3.353
  112   1HB   ALA  16          1HB       ALA  16   9.658   0.074   5.013
  113   2HB   ALA  16          2HB       ALA  16   8.301   0.049   3.889
  114   3HB   ALA  16          3HB       ALA  16   9.575   1.252   3.704
  115    H    LEU  17           H        LEU  17  10.704   1.279   1.628
  116    HA   LEU  17           HA       LEU  17   8.819   0.843  -0.460
  117   1HB   LEU  17          1HB       LEU  17  11.250   2.631  -0.354
  118   2HB   LEU  17          2HB       LEU  17  10.014   2.689  -1.599
  119    HG   LEU  17           HG       LEU  17   9.572   3.254   1.334
  120   1HD1  LEU  17          1HD1      LEU  17  10.861   5.002   0.253
  121   2HD1  LEU  17          2HD1      LEU  17   9.225   5.561   0.604
  122   3HD1  LEU  17          3HD1      LEU  17   9.666   5.103  -1.041
  123   1HD2  LEU  17          1HD2      LEU  17   7.684   3.507  -1.005
  124   2HD2  LEU  17          2HD2      LEU  17   7.341   3.953   0.668
  125   3HD2  LEU  17          3HD2      LEU  17   7.611   2.261   0.242
  126    H    GLN  18           H        GLN  18  12.215   0.068  -0.020
  127    HA   GLN  18           HA       GLN  18  12.813  -0.809  -2.614
  128   1HB   GLN  18          1HB       GLN  18  14.489  -0.464  -0.835
  129   2HB   GLN  18          2HB       GLN  18  13.852  -1.853   0.031
  130   1HG   GLN  18          1HG       GLN  18  14.478  -3.271  -1.908
  131   2HG   GLN  18          2HG       GLN  18  15.243  -1.859  -2.633
  132   1HE2  GLN  18          1HE2      GLN  18  17.293  -2.696  -2.592
  133   2HE2  GLN  18          2HE2      GLN  18  18.181  -2.927  -1.123
  134    H    ALA  19           H        ALA  19  11.607  -2.603   0.199
  135    HA   ALA  19           HA       ALA  19  11.364  -5.092  -1.120
  136   1HB   ALA  19          1HB       ALA  19   9.881  -4.073   1.300
  137   2HB   ALA  19          2HB       ALA  19  11.429  -4.919   1.308
  138   3HB   ALA  19          3HB       ALA  19   9.970  -5.755   0.775
  139    H    LEU  20           H        LEU  20   9.238  -2.314  -0.826
  140    HA   LEU  20           HA       LEU  20   6.875  -3.568  -1.791
  141   1HB   LEU  20          1HB       LEU  20   6.859  -1.452  -0.533
  142   2HB   LEU  20          2HB       LEU  20   7.710  -0.664  -1.849
  143    HG   LEU  20           HG       LEU  20   5.760  -1.089  -3.321
  144   1HD1  LEU  20          1HD1      LEU  20   4.467  -2.070  -0.782
  145   2HD1  LEU  20          2HD1      LEU  20   4.850  -3.040  -2.203
  146   3HD1  LEU  20          3HD1      LEU  20   3.637  -1.765  -2.309
  147   1HD2  LEU  20          1HD2      LEU  20   4.316   0.606  -2.308
  148   2HD2  LEU  20          2HD2      LEU  20   6.019   1.044  -2.180
  149   3HD2  LEU  20          3HD2      LEU  20   5.163   0.411  -0.772
  150    H    ALA  21           H        ALA  21   9.586  -1.920  -3.272
  151    HA   ALA  21           HA       ALA  21   8.439  -1.520  -5.846
  152   1HB   ALA  21          1HB       ALA  21  11.340  -1.702  -5.031
  153   2HB   ALA  21          2HB       ALA  21  10.368  -0.232  -5.111
  154   3HB   ALA  21          3HB       ALA  21  10.751  -1.119  -6.586
  155    H    LYS  22           H        LYS  22  10.586  -3.954  -4.489
  156    HA   LYS  22           HA       LYS  22  10.833  -5.587  -6.784
  157   1HB   LYS  22          1HB       LYS  22  12.316  -5.581  -4.754
  158   2HB   LYS  22          2HB       LYS  22  11.036  -6.393  -3.874
  159   1HG   LYS  22          1HG       LYS  22  12.403  -8.145  -4.446
  160   2HG   LYS  22          2HG       LYS  22  11.226  -8.171  -5.762
  161   1HD   LYS  22          1HD       LYS  22  13.830  -6.677  -5.967
  162   2HD   LYS  22          2HD       LYS  22  13.696  -8.381  -6.393
  163   1HE   LYS  22          1HE       LYS  22  11.948  -6.247  -7.584
  164   2HE   LYS  22          2HE       LYS  22  13.483  -6.739  -8.297
  165   1HZ   LYS  22          1HZ       LYS  22  11.312  -7.836  -9.095
  166   2HZ   LYS  22          2HZ       LYS  22  11.431  -8.764  -7.675
  167   3HZ   LYS  22          3HZ       LYS  22  12.675  -8.810  -8.828
  168    H    GLN  23           H        GLN  23   8.321  -5.193  -4.462
  169    HA   GLN  23           HA       GLN  23   7.319  -7.900  -4.766
  170   1HB   GLN  23          1HB       GLN  23   7.631  -6.624  -2.573
  171   2HB   GLN  23          2HB       GLN  23   6.190  -5.731  -3.027
  172   1HG   GLN  23          1HG       GLN  23   4.831  -7.624  -2.860
  173   2HG   GLN  23          2HG       GLN  23   6.216  -8.715  -2.874
  174   1HE2  GLN  23          1HE2      GLN  23   6.293  -5.797  -1.010
  175   2HE2  GLN  23          2HE2      GLN  23   6.182  -6.538   0.549
  176    H    THR  24           H        THR  24   6.474  -4.644  -5.769
  177    HA   THR  24           HA       THR  24   4.018  -5.758  -6.965
  178    HB   THR  24           HB       THR  24   3.228  -3.354  -7.084
  179    HG1  THR  24           HG1      THR  24   4.767  -1.978  -6.605
  180   1HG2  THR  24          1HG2      THR  24   3.700  -4.533  -4.343
  181   2HG2  THR  24          2HG2      THR  24   2.358  -4.917  -5.422
  182   3HG2  THR  24          3HG2      THR  24   2.506  -3.296  -4.742
  183    H    ASP  25           H        ASP  25   7.064  -4.929  -7.706
  184    HA   ASP  25           HA       ASP  25   8.235  -4.438  -9.578
  185   1HB   ASP  25          1HB       ASP  25   6.741  -6.345 -10.410
  186   2HB   ASP  25          2HB       ASP  25   5.756  -5.099 -11.172
  187    H    THR  26           H        THR  26   7.210  -2.268  -8.320
  188    HA   THR  26           HA       THR  26   6.320  -0.506 -10.514
  189    HB   THR  26           HB       THR  26   5.984   0.330  -7.676
  190    HG1  THR  26           HG1      THR  26   4.537  -1.763  -8.952
  191   1HG2  THR  26          1HG2      THR  26   4.339   0.590 -10.198
  192   2HG2  THR  26          2HG2      THR  26   5.243   1.859  -9.373
  193   3HG2  THR  26          3HG2      THR  26   3.808   1.167  -8.624
  194    H    GLN  27           H        GLN  27   7.058   1.828 -10.147
  195    HA   GLN  27           HA       GLN  27   9.901   1.756  -9.444
  196   1HB   GLN  27          1HB       GLN  27   9.259   2.563 -11.707
  197   2HB   GLN  27          2HB       GLN  27   8.362   3.878 -10.959
  198   1HG   GLN  27          1HG       GLN  27  10.457   4.743 -11.662
  199   2HG   GLN  27          2HG       GLN  27  10.489   4.632  -9.905
  200   1HE2  GLN  27          1HE2      GLN  27  11.742   3.423 -12.877
  201   2HE2  GLN  27          2HE2      GLN  27  13.039   2.494 -12.201
  202    H    LEU  28           H        LEU  28  10.497   2.513  -7.555
  203    HA   LEU  28           HA       LEU  28   8.705   4.362  -6.135
  204   1HB   LEU  28          1HB       LEU  28  10.495   2.156  -5.207
  205   2HB   LEU  28          2HB       LEU  28  10.190   3.503  -4.131
  206    HG   LEU  28           HG       LEU  28   8.699   1.663  -3.615
  207   1HD1  LEU  28          1HD1      LEU  28   6.549   2.824  -3.770
  208   2HD1  LEU  28          2HD1      LEU  28   7.251   3.957  -4.925
  209   3HD1  LEU  28          3HD1      LEU  28   7.851   3.903  -3.267
  210   1HD2  LEU  28          1HD2      LEU  28   8.634   0.576  -5.797
  211   2HD2  LEU  28          2HD2      LEU  28   7.701   1.924  -6.451
  212   3HD2  LEU  28          3HD2      LEU  28   7.006   0.891  -5.201
  213    H    LEU  29           H        LEU  29   9.371   6.379  -6.131
  214    HA   LEU  29           HA       LEU  29  12.255   6.937  -6.208
  215   1HB   LEU  29          1HB       LEU  29   9.889   8.665  -6.950
  216   2HB   LEU  29          2HB       LEU  29  11.539   9.238  -6.890
  217    HG   LEU  29           HG       LEU  29  11.128   8.867  -9.158
  218   1HD1  LEU  29          1HD1      LEU  29  13.253   7.936  -8.473
  219   2HD1  LEU  29          2HD1      LEU  29  12.560   6.990  -9.789
  220   3HD1  LEU  29          3HD1      LEU  29  12.487   6.384  -8.135
  221   1HD2  LEU  29          1HD2      LEU  29  10.135   6.819 -10.065
  222   2HD2  LEU  29          2HD2      LEU  29   9.041   7.655  -8.963
  223   3HD2  LEU  29          3HD2      LEU  29   9.902   6.214  -8.424
  224    H    TYR  30           H        TYR  30  13.076   7.368  -4.289
  225    HA   TYR  30           HA       TYR  30  11.612   9.125  -2.487
  226   1HB   TYR  30          1HB       TYR  30  12.152   7.642  -0.545
  227   2HB   TYR  30          2HB       TYR  30  10.969   6.969  -1.656
  228    HD1  TYR  30           HD1      TYR  30  11.513   5.039  -3.032
  229    HD2  TYR  30           HD2      TYR  30  14.354   6.656  -0.309
  230    HE1  TYR  30           HE1      TYR  30  12.849   2.987  -3.220
  231    HE2  TYR  30           HE2      TYR  30  15.700   4.610  -0.493
  232    HH   TYR  30           HH       TYR  30  15.402   2.257  -1.088
  233    H    SER  31           H        SER  31  12.889  10.391  -1.224
  234    HA   SER  31           HA       SER  31  15.738  10.334  -1.886
  235   1HB   SER  31          1HB       SER  31  14.120  12.550  -0.609
  236   2HB   SER  31          2HB       SER  31  15.743  12.677  -1.287
  237    HG   SER  31           HG       SER  31  14.541  13.355  -2.935
  238    HA   PRO  32           HA       PRO  32  16.332   8.353   2.059
  239   1HB   PRO  32          1HB       PRO  32  19.144   9.171   1.572
  240   2HB   PRO  32          2HB       PRO  32  18.477   7.571   1.914
  241   1HG   PRO  32          1HG       PRO  32  19.282   8.211  -0.544
  242   2HG   PRO  32          2HG       PRO  32  17.832   7.222  -0.286
  243   1HD   PRO  32          1HD       PRO  32  18.051  10.118  -0.996
  244   2HD   PRO  32          2HD       PRO  32  16.895   8.901  -1.572
  245    H    GLU  33           H        GLU  33  17.927  11.452   1.359
  246    HA   GLU  33           HA       GLU  33  18.273  12.027   4.166
  247   1HB   GLU  33          1HB       GLU  33  18.752  14.414   2.937
  248   2HB   GLU  33          2HB       GLU  33  19.957  13.173   3.234
  249   1HG   GLU  33          1HG       GLU  33  20.082  14.014   0.963
  250   2HG   GLU  33          2HG       GLU  33  19.651  12.307   0.990
  251    H    ASP  34           H        ASP  34  15.821  12.510   1.819
  252    HA   ASP  34           HA       ASP  34  14.650  14.789   3.178
  253   1HB   ASP  34          1HB       ASP  34  14.519  14.613   0.722
  254   2HB   ASP  34          2HB       ASP  34  13.577  13.136   0.883
  255    H    ILE  35           H        ILE  35  14.286  11.327   3.107
  256    HA   ILE  35           HA       ILE  35  11.849  11.470   4.718
  257    HB   ILE  35           HB       ILE  35  11.801   9.018   4.523
  258   1HG1  ILE  35          1HG1      ILE  35  14.301   9.391   2.854
  259   2HG1  ILE  35          2HG1      ILE  35  14.215   8.601   4.424
  260   1HG2  ILE  35          1HG2      ILE  35  10.663  10.349   2.849
  261   2HG2  ILE  35          2HG2      ILE  35  11.351   8.904   2.108
  262   3HG2  ILE  35          3HG2      ILE  35  12.145  10.465   1.898
  263   1HD1  ILE  35          1HD1      ILE  35  14.353   6.972   2.646
  264   2HD1  ILE  35          2HD1      ILE  35  12.917   7.654   1.883
  265   3HD1  ILE  35          3HD1      ILE  35  12.791   6.866   3.453
  266    H    GLY  36           H        GLY  36  15.119  11.557   5.196
  267   1HA   GLY  36          1HA       GLY  36  16.345  11.602   7.131
  268   2HA   GLY  36          2HA       GLY  36  14.834  11.449   8.010
  269    H    GLY  37           H        GLY  37  15.107   8.901   5.874
  270   1HA   GLY  37          1HA       GLY  37  15.519   6.662   6.154
  271   2HA   GLY  37          2HA       GLY  37  16.840   7.140   7.208
  272    H    LEU  38           H        LEU  38  13.395   7.800   7.680
  273    HA   LEU  38           HA       LEU  38  13.555   6.876  10.395
  274   1HB   LEU  38          1HB       LEU  38  11.157   7.484  10.486
  275   2HB   LEU  38          2HB       LEU  38  12.172   8.786   9.907
  276    HG   LEU  38           HG       LEU  38  11.454   7.913   7.537
  277   1HD1  LEU  38          1HD1      LEU  38   9.176   6.937   9.253
  278   2HD1  LEU  38          2HD1      LEU  38  10.282   5.924   8.325
  279   3HD1  LEU  38          3HD1      LEU  38   9.187   7.027   7.490
  280   1HD2  LEU  38          1HD2      LEU  38  10.957  10.121   8.456
  281   2HD2  LEU  38          2HD2      LEU  38   9.576   9.452   9.327
  282   3HD2  LEU  38          3HD2      LEU  38   9.582   9.474   7.564
  283    H    ARG  39           H        ARG  39  12.098   5.194  11.294
  284    HA   ARG  39           HA       ARG  39  12.135   2.905   9.501
  285   1HB   ARG  39          1HB       ARG  39  11.711   1.504  11.411
  286   2HB   ARG  39          2HB       ARG  39  13.016   2.608  11.787
  287   1HG   ARG  39          1HG       ARG  39  10.180   3.100  12.645
  288   2HG   ARG  39          2HG       ARG  39  11.323   2.166  13.608
  289   1HD   ARG  39          1HD       ARG  39  11.547   5.059  12.796
  290   2HD   ARG  39          2HD       ARG  39  11.282   4.421  14.418
  291    HE   ARG  39           HE       ARG  39  13.781   4.050  12.892
  292   1HH1  ARG  39          1HH1      ARG  39  12.062   4.464  15.909
  293   2HH1  ARG  39          2HH1      ARG  39  13.507   4.556  16.868
  294   1HH2  ARG  39          1HH2      ARG  39  15.678   4.186  14.129
  295   2HH2  ARG  39          2HH2      ARG  39  15.570   4.413  15.856
  296    H    SER  40           H        SER  40  10.421   1.765   8.824
  297    HA   SER  40           HA       SER  40   7.915   3.223   8.803
  298   1HB   SER  40          1HB       SER  40   7.353   1.351   7.116
  299   2HB   SER  40          2HB       SER  40   8.578   2.533   6.655
  300    HG   SER  40           HG       SER  40   8.854  -0.172   7.309
  301    H    SER  41           H        SER  41   5.911   2.252   9.250
  302    HA   SER  41           HA       SER  41   5.970   0.194  11.299
  303   1HB   SER  41          1HB       SER  41   3.576   1.656  10.139
  304   2HB   SER  41          2HB       SER  41   3.642   0.754  11.655
  305    HG   SER  41           HG       SER  41   3.841   2.964  12.078
  306    H    ALA  42           H        ALA  42   5.383  -1.875  10.969
  307    HA   ALA  42           HA       ALA  42   5.642  -3.003   8.464
  308   1HB   ALA  42          1HB       ALA  42   4.851  -5.078   9.451
  309   2HB   ALA  42          2HB       ALA  42   4.200  -4.192  10.829
  310   3HB   ALA  42          3HB       ALA  42   5.941  -4.240  10.555
  311    H    LEU  43           H        LEU  43   4.423  -2.687   6.778
  312    HA   LEU  43           HA       LEU  43   1.496  -2.838   7.048
  313   1HB   LEU  43          1HB       LEU  43   2.691  -0.805   5.960
  314   2HB   LEU  43          2HB       LEU  43   3.005  -1.884   4.616
  315    HG   LEU  43           HG       LEU  43   1.045  -0.396   4.275
  316   1HD1  LEU  43          1HD1      LEU  43   0.402  -3.337   4.376
  317   2HD1  LEU  43          2HD1      LEU  43   1.151  -2.473   3.034
  318   3HD1  LEU  43          3HD1      LEU  43  -0.514  -2.119   3.492
  319   1HD2  LEU  43          1HD2      LEU  43  -0.161  -1.998   6.520
  320   2HD2  LEU  43          2HD2      LEU  43  -1.025  -0.856   5.491
  321   3HD2  LEU  43          3HD2      LEU  43   0.253  -0.283   6.563
  322    H    LYS  44           H        LYS  44   1.268  -5.063   7.052
  323    HA   LYS  44           HA       LYS  44   2.067  -6.377   4.573
  324   1HB   LYS  44          1HB       LYS  44   2.763  -8.393   5.893
  325   2HB   LYS  44          2HB       LYS  44   3.831  -7.003   5.997
  326   1HG   LYS  44          1HG       LYS  44   2.798  -6.433   8.178
  327   2HG   LYS  44          2HG       LYS  44   1.862  -7.926   8.078
  328   1HD   LYS  44          1HD       LYS  44   4.873  -7.722   8.074
  329   2HD   LYS  44          2HD       LYS  44   3.872  -8.233   9.435
  330   1HE   LYS  44          1HE       LYS  44   3.308 -10.242   8.439
  331   2HE   LYS  44          2HE       LYS  44   3.635  -9.642   6.813
  332   1HZ   LYS  44          1HZ       LYS  44   5.739 -10.114   8.853
  333   2HZ   LYS  44          2HZ       LYS  44   5.958  -9.757   7.203
  334   3HZ   LYS  44          3HZ       LYS  44   5.294 -11.245   7.671
  335    H    GLY  45           H        GLY  45   0.423  -7.215   3.651
  336   1HA   GLY  45          1HA       GLY  45  -1.301  -9.121   4.710
  337   2HA   GLY  45          2HA       GLY  45  -2.108  -7.563   4.873
  338    H    ARG  46           H        ARG  46  -3.682  -8.561   3.364
  339    HA   ARG  46           HA       ARG  46  -2.691  -8.604   0.597
  340   1HB   ARG  46          1HB       ARG  46  -4.031 -10.557   1.396
  341   2HB   ARG  46          2HB       ARG  46  -5.402  -9.476   1.605
  342   1HG   ARG  46          1HG       ARG  46  -5.435  -8.988  -0.757
  343   2HG   ARG  46          2HG       ARG  46  -3.982  -9.958  -1.005
  344   1HD   ARG  46          1HD       ARG  46  -5.251 -11.927  -0.136
  345   2HD   ARG  46          2HD       ARG  46  -6.700 -10.921  -0.137
  346    HE   ARG  46           HE       ARG  46  -6.377 -10.702  -2.573
  347   1HH1  ARG  46          1HH1      ARG  46  -4.745 -13.303  -0.904
  348   2HH1  ARG  46          2HH1      ARG  46  -4.737 -14.357  -2.290
  349   1HH2  ARG  46          1HH2      ARG  46  -6.336 -12.061  -4.414
  350   2HH2  ARG  46          2HH2      ARG  46  -5.661 -13.662  -4.278
  351    H    HIS  47           H        HIS  47  -2.574  -6.531  -0.014
  352    HA   HIS  47           HA       HIS  47  -5.070  -4.990  -0.030
  353   1HB   HIS  47          1HB       HIS  47  -2.397  -3.832   0.813
  354   2HB   HIS  47          2HB       HIS  47  -3.911  -2.949   0.668
  355    HD1  HIS  47           HD1      HIS  47  -5.778  -3.536   2.485
  356    HD2  HIS  47           HD2      HIS  47  -1.971  -5.048   3.223
  357    HE1  HIS  47           HE1      HIS  47  -5.760  -4.192   4.915
  358    HE2  HIS  47           HE2      HIS  47  -3.482  -5.202   5.316
  359    H    ASP  48           H        ASP  48  -5.056  -3.269  -1.627
  360    HA   ASP  48           HA       ASP  48  -3.455  -3.904  -3.954
  361   1HB   ASP  48          1HB       ASP  48  -4.746  -2.125  -5.075
  362   2HB   ASP  48          2HB       ASP  48  -5.809  -3.278  -4.276
  363    H    LEU  49           H        LEU  49  -2.460  -1.947  -5.148
  364    HA   LEU  49           HA       LEU  49  -0.273  -1.137  -3.625
  365   1HB   LEU  49          1HB       LEU  49  -0.289  -1.328  -6.083
  366   2HB   LEU  49          2HB       LEU  49  -1.304   0.096  -6.178
  367    HG   LEU  49           HG       LEU  49   0.515   1.441  -5.171
  368   1HD1  LEU  49          1HD1      LEU  49   2.751   0.490  -4.981
  369   2HD1  LEU  49          2HD1      LEU  49   2.127  -1.096  -5.435
  370   3HD1  LEU  49          3HD1      LEU  49   1.619  -0.349  -3.921
  371   1HD2  LEU  49          1HD2      LEU  49   0.270   1.296  -7.604
  372   2HD2  LEU  49          2HD2      LEU  49   1.336  -0.109  -7.624
  373   3HD2  LEU  49          3HD2      LEU  49   1.959   1.463  -7.127
  374    H    GLN  50           H        GLN  50  -3.029   0.825  -4.748
  375    HA   GLN  50           HA       GLN  50  -2.254   3.250  -3.639
  376   1HB   GLN  50          1HB       GLN  50  -5.065   2.216  -4.039
  377   2HB   GLN  50          2HB       GLN  50  -4.613   3.899  -3.813
  378   1HG   GLN  50          1HG       GLN  50  -3.439   3.925  -5.902
  379   2HG   GLN  50          2HG       GLN  50  -3.694   2.191  -6.109
  380   1HE2  GLN  50          1HE2      GLN  50  -4.474   4.441  -7.815
  381   2HE2  GLN  50          2HE2      GLN  50  -6.187   4.287  -8.016
  382    H    SER  51           H        SER  51  -4.396   0.766  -2.251
  383    HA   SER  51           HA       SER  51  -4.921   2.114   0.149
  384   1HB   SER  51          1HB       SER  51  -4.866  -0.857  -0.399
  385   2HB   SER  51          2HB       SER  51  -5.562  -0.108   1.038
  386    HG   SER  51           HG       SER  51  -6.601  -0.364  -1.474
  387    H    SER  52           H        SER  52  -2.369  -0.222  -0.651
  388    HA   SER  52           HA       SER  52  -1.269  -0.447   1.913
  389   1HB   SER  52          1HB       SER  52   0.169  -0.651  -0.744
  390   2HB   SER  52          2HB       SER  52   0.722  -1.317   0.795
  391    HG   SER  52           HG       SER  52  -1.363  -2.161  -0.879
  392    H    LEU  53           H        LEU  53  -0.545   1.812  -0.722
  393    HA   LEU  53           HA       LEU  53   1.599   3.130   0.534
  394   1HB   LEU  53          1HB       LEU  53  -0.375   4.139  -1.511
  395   2HB   LEU  53          2HB       LEU  53   1.074   4.998  -1.032
  396    HG   LEU  53           HG       LEU  53   1.049   2.275  -2.339
  397   1HD1  LEU  53          1HD1      LEU  53   1.881   3.453  -4.317
  398   2HD1  LEU  53          2HD1      LEU  53   1.663   4.993  -3.487
  399   3HD1  LEU  53          3HD1      LEU  53   0.263   3.992  -3.872
  400   1HD2  LEU  53          1HD2      LEU  53   2.984   2.665  -0.887
  401   2HD2  LEU  53          2HD2      LEU  53   3.318   4.174  -1.741
  402   3HD2  LEU  53          3HD2      LEU  53   3.445   2.633  -2.589
  403    H    ARG  54           H        ARG  54  -1.878   3.741   0.552
  404    HA   ARG  54           HA       ARG  54  -1.725   6.188   1.958
  405   1HB   ARG  54          1HB       ARG  54  -3.682   5.747   0.672
  406   2HB   ARG  54          2HB       ARG  54  -3.987   4.245   1.536
  407   1HG   ARG  54          1HG       ARG  54  -4.679   5.373   3.475
  408   2HG   ARG  54          2HG       ARG  54  -4.008   6.908   2.923
  409   1HD   ARG  54          1HD       ARG  54  -6.228   5.497   1.469
  410   2HD   ARG  54          2HD       ARG  54  -6.529   6.639   2.780
  411    HE   ARG  54           HE       ARG  54  -4.846   7.921   0.986
  412   1HH1  ARG  54          1HH1      ARG  54  -8.033   6.471   0.839
  413   2HH1  ARG  54          2HH1      ARG  54  -8.663   7.678  -0.246
  414   1HH2  ARG  54          1HH2      ARG  54  -5.692   9.503  -0.448
  415   2HH2  ARG  54          2HH2      ARG  54  -7.341   9.380  -0.978
  416    H    ILE  55           H        ILE  55  -2.440   2.866   3.062
  417    HA   ILE  55           HA       ILE  55  -2.833   3.638   5.761
  418    HB   ILE  55           HB       ILE  55  -2.054   0.912   4.708
  419   1HG1  ILE  55          1HG1      ILE  55  -4.086   1.729   3.636
  420   2HG1  ILE  55          2HG1      ILE  55  -4.479   0.441   4.770
  421   1HG2  ILE  55          1HG2      ILE  55  -3.364   1.706   7.305
  422   2HG2  ILE  55          2HG2      ILE  55  -1.712   1.120   7.113
  423   3HG2  ILE  55          3HG2      ILE  55  -3.071   0.055   6.760
  424   1HD1  ILE  55          1HD1      ILE  55  -4.812   3.391   5.270
  425   2HD1  ILE  55          2HD1      ILE  55  -5.225   2.095   6.395
  426   3HD1  ILE  55          3HD1      ILE  55  -6.097   2.253   4.869
  427    H    LEU  56           H        LEU  56   0.005   2.946   3.885
  428    HA   LEU  56           HA       LEU  56   1.754   2.539   6.112
  429   1HB   LEU  56          1HB       LEU  56   2.003   1.919   3.559
  430   2HB   LEU  56          2HB       LEU  56   2.726   3.511   3.455
  431    HG   LEU  56           HG       LEU  56   3.711   1.316   5.286
  432   1HD1  LEU  56          1HD1      LEU  56   3.995   0.655   2.976
  433   2HD1  LEU  56          2HD1      LEU  56   5.555   1.090   3.675
  434   3HD1  LEU  56          3HD1      LEU  56   4.728   2.213   2.596
  435   1HD2  LEU  56          1HD2      LEU  56   5.707   2.708   5.490
  436   2HD2  LEU  56          2HD2      LEU  56   4.276   3.569   6.053
  437   3HD2  LEU  56          3HD2      LEU  56   4.961   3.938   4.471
  438    H    LEU  57           H        LEU  57   1.271   5.282   3.858
  439    HA   LEU  57           HA       LEU  57   2.789   6.993   5.689
  440   1HB   LEU  57          1HB       LEU  57   1.828   7.432   2.864
  441   2HB   LEU  57          2HB       LEU  57   2.579   8.687   3.826
  442    HG   LEU  57           HG       LEU  57   4.580   7.077   4.027
  443   1HD1  LEU  57          1HD1      LEU  57   4.845   5.519   2.172
  444   2HD1  LEU  57          2HD1      LEU  57   3.198   5.861   1.643
  445   3HD1  LEU  57          3HD1      LEU  57   3.480   5.072   3.197
  446   1HD2  LEU  57          1HD2      LEU  57   3.877   8.313   1.370
  447   2HD2  LEU  57          2HD2      LEU  57   5.497   7.875   1.911
  448   3HD2  LEU  57          3HD2      LEU  57   4.604   9.146   2.744
  449    H    GLN  58           H        GLN  58   0.031   6.052   6.206
  450    HA   GLN  58           HA       GLN  58  -1.960   7.874   5.776
  451   1HB   GLN  58          1HB       GLN  58  -2.196   5.653   6.874
  452   2HB   GLN  58          2HB       GLN  58  -1.543   6.357   8.349
  453   1HG   GLN  58          1HG       GLN  58  -3.419   7.890   8.469
  454   2HG   GLN  58          2HG       GLN  58  -4.062   7.247   6.959
  455   1HE2  GLN  58          1HE2      GLN  58  -5.967   6.573   7.845
  456   2HE2  GLN  58          2HE2      GLN  58  -6.078   5.241   8.949
  457    H    GLY  59           H        GLY  59   0.157   7.848   8.664
  458   1HA   GLY  59          1HA       GLY  59  -0.474  10.716   8.961
  459   2HA   GLY  59          2HA       GLY  59  -0.521   9.626  10.337
  460    H    THR  60           H        THR  60   1.897   9.398   7.817
  461    HA   THR  60           HA       THR  60   3.952   9.868   9.811
  462    HB   THR  60           HB       THR  60   5.488   9.194   7.890
  463    HG1  THR  60           HG1      THR  60   4.580   8.589   6.030
  464   1HG2  THR  60          1HG2      THR  60   4.899   6.812   8.104
  465   2HG2  THR  60          2HG2      THR  60   3.344   7.268   8.802
  466   3HG2  THR  60          3HG2      THR  60   4.839   7.640   9.660
  467    H    GLY  61           H        GLY  61   2.249  11.910   7.911
  468   1HA   GLY  61          1HA       GLY  61   2.592  14.088   7.288
  469   2HA   GLY  61          2HA       GLY  61   4.085  14.037   8.215
  470    H    LEU  62           H        LEU  62   3.620  11.757   5.650
  471    HA   LEU  62           HA       LEU  62   5.542  13.263   4.007
  472   1HB   LEU  62          1HB       LEU  62   5.097  10.277   4.147
  473   2HB   LEU  62          2HB       LEU  62   6.256  11.087   3.113
  474    HG   LEU  62           HG       LEU  62   6.338  11.068   6.132
  475   1HD1  LEU  62          1HD1      LEU  62   8.294   9.627   5.850
  476   2HD1  LEU  62          2HD1      LEU  62   8.018   9.600   4.109
  477   3HD1  LEU  62          3HD1      LEU  62   6.835   8.881   5.200
  478   1HD2  LEU  62          1HD2      LEU  62   7.304  13.103   5.223
  479   2HD2  LEU  62          2HD2      LEU  62   8.288  12.159   4.104
  480   3HD2  LEU  62          3HD2      LEU  62   8.573  12.047   5.841
  481    H    ARG  63           H        ARG  63   5.329  12.858   1.647
  482    HA   ARG  63           HA       ARG  63   2.483  12.600   0.934
  483   1HB   ARG  63          1HB       ARG  63   3.475  14.836   0.544
  484   2HB   ARG  63          2HB       ARG  63   4.670  14.102  -0.514
  485   1HG   ARG  63          1HG       ARG  63   2.973  15.073  -1.872
  486   2HG   ARG  63          2HG       ARG  63   2.819  13.319  -1.965
  487   1HD   ARG  63          1HD       ARG  63   0.637  14.394  -1.759
  488   2HD   ARG  63          2HD       ARG  63   0.990  13.372  -0.367
  489    HE   ARG  63           HE       ARG  63   1.797  15.752   0.519
  490   1HH1  ARG  63          1HH1      ARG  63  -1.099  14.894  -1.230
  491   2HH1  ARG  63          2HH1      ARG  63  -2.097  16.061  -0.417
  492   1HH2  ARG  63          1HH2      ARG  63   0.489  17.329   1.588
  493   2HH2  ARG  63          2HH2      ARG  63  -1.199  17.448   1.180
  494    H    TYR  64           H        TYR  64   1.965  10.853  -0.163
  495    HA   TYR  64           HA       TYR  64   4.019   9.597  -1.841
  496   1HB   TYR  64          1HB       TYR  64   2.500   7.627  -1.939
  497   2HB   TYR  64          2HB       TYR  64   3.023   8.016  -0.310
  498    HD1  TYR  64           HD1      TYR  64   1.407   9.027   1.294
  499    HD2  TYR  64           HD2      TYR  64   0.194   7.669  -2.551
  500    HE1  TYR  64           HE1      TYR  64  -0.935   9.013   2.043
  501    HE2  TYR  64           HE2      TYR  64  -2.151   7.665  -1.815
  502    HH   TYR  64           HH       TYR  64  -3.206   9.169   1.014
  503    H    GLN  65           H        GLN  65   4.033  10.162  -3.873
  504    HA   GLN  65           HA       GLN  65   1.503  10.945  -5.149
  505   1HB   GLN  65          1HB       GLN  65   3.329  12.619  -5.194
  506   2HB   GLN  65          2HB       GLN  65   4.347  11.462  -6.038
  507   1HG   GLN  65          1HG       GLN  65   2.840  11.475  -7.935
  508   2HG   GLN  65          2HG       GLN  65   1.758  12.581  -7.089
  509   1HE2  GLN  65          1HE2      GLN  65   2.357  14.733  -6.840
  510   2HE2  GLN  65          2HE2      GLN  65   3.624  15.443  -7.770
  511    H    ILE  66           H        ILE  66   0.575   9.351  -6.217
  512    HA   ILE  66           HA       ILE  66   2.288   7.386  -7.574
  513    HB   ILE  66           HB       ILE  66   1.010   6.249  -5.920
  514   1HG1  ILE  66          1HG1      ILE  66  -0.338   5.856  -8.600
  515   2HG1  ILE  66          2HG1      ILE  66   1.187   5.129  -8.106
  516   1HG2  ILE  66          1HG2      ILE  66  -1.432   7.605  -7.042
  517   2HG2  ILE  66          2HG2      ILE  66  -0.685   7.904  -5.471
  518   3HG2  ILE  66          3HG2      ILE  66  -1.444   6.347  -5.806
  519   1HD1  ILE  66          1HD1      ILE  66  -0.614   3.535  -7.931
  520   2HD1  ILE  66          2HD1      ILE  66  -1.509   4.624  -6.871
  521   3HD1  ILE  66          3HD1      ILE  66   0.015   3.918  -6.326
  522    H    ASP  67           H        ASP  67   2.466   7.824  -9.632
  523    HA   ASP  67           HA       ASP  67   0.070   8.647 -11.143
  524   1HB   ASP  67          1HB       ASP  67   1.710  10.547 -10.683
  525   2HB   ASP  67          2HB       ASP  67   2.855   9.682 -11.703
  526    H    GLY  68           H        GLY  68  -0.349   6.791 -12.245
  527   1HA   GLY  68          1HA       GLY  68  -0.064   5.089 -13.759
  528   2HA   GLY  68          2HA       GLY  68   1.404   5.900 -14.288
  529    H    ASN  69           H        ASN  69   3.263   4.910 -13.908
  530    HA   ASN  69           HA       ASN  69   3.302   2.741 -11.917
  531   1HB   ASN  69          1HB       ASN  69   4.770   3.141 -14.506
  532   2HB   ASN  69          2HB       ASN  69   5.440   2.093 -13.262
  533   1HD2  ASN  69          1HD2      ASN  69   5.239   0.299 -14.578
  534   2HD2  ASN  69          2HD2      ASN  69   3.706  -0.454 -14.886
  535    H    THR  70           H        THR  70   3.947   5.822 -11.956
  536    HA   THR  70           HA       THR  70   6.597   5.633 -10.694
  537    HB   THR  70           HB       THR  70   5.115   8.093 -11.650
  538    HG1  THR  70           HG1      THR  70   5.806   6.821 -13.399
  539   1HG2  THR  70          1HG2      THR  70   7.259   9.240 -11.335
  540   2HG2  THR  70          2HG2      THR  70   7.962   7.754 -10.693
  541   3HG2  THR  70          3HG2      THR  70   6.667   8.570  -9.815
  542    H    VAL  71           H        VAL  71   6.658   5.618  -8.555
  543    HA   VAL  71           HA       VAL  71   4.550   7.067  -7.082
  544    HB   VAL  71           HB       VAL  71   6.056   4.636  -6.090
  545   1HG1  VAL  71          1HG1      VAL  71   5.396   6.167  -4.309
  546   2HG1  VAL  71          2HG1      VAL  71   4.451   4.677  -4.240
  547   3HG1  VAL  71          3HG1      VAL  71   3.733   6.148  -4.897
  548   1HG2  VAL  71          1HG2      VAL  71   4.538   3.961  -7.840
  549   2HG2  VAL  71          2HG2      VAL  71   3.228   4.880  -7.101
  550   3HG2  VAL  71          3HG2      VAL  71   3.884   3.465  -6.279
  551    H    THR  72           H        THR  72   5.304   8.770  -6.020
  552    HA   THR  72           HA       THR  72   8.190   8.872  -5.411
  553    HB   THR  72           HB       THR  72   6.358  11.232  -5.884
  554    HG1  THR  72           HG1      THR  72   7.414   9.502  -7.650
  555   1HG2  THR  72          1HG2      THR  72   8.380  11.705  -4.555
  556   2HG2  THR  72          2HG2      THR  72   8.432  12.488  -6.134
  557   3HG2  THR  72          3HG2      THR  72   9.374  11.025  -5.845
  558    H    VAL  73           H        VAL  73   8.749   9.026  -3.341
  559    HA   VAL  73           HA       VAL  73   6.684   9.808  -1.383
  560    HB   VAL  73           HB       VAL  73   8.987   7.884  -1.001
  561   1HG1  VAL  73          1HG1      VAL  73   8.481   9.176   1.025
  562   2HG1  VAL  73          2HG1      VAL  73   8.065   7.472   1.210
  563   3HG1  VAL  73          3HG1      VAL  73   6.797   8.665   0.922
  564   1HG2  VAL  73          1HG2      VAL  73   7.248   6.179  -0.769
  565   2HG2  VAL  73          2HG2      VAL  73   7.181   6.948  -2.355
  566   3HG2  VAL  73          3HG2      VAL  73   6.011   7.389  -1.111
  567    H    THR  74           H        THR  74   7.084  11.808  -0.764
  568    HA   THR  74           HA       THR  74   9.769  12.493   0.185
  569    HB   THR  74           HB       THR  74   9.514  13.304  -2.184
  570    HG1  THR  74           HG1      THR  74  10.557  14.510  -0.144
  571   1HG2  THR  74          1HG2      THR  74   7.121  13.832  -2.115
  572   2HG2  THR  74          2HG2      THR  74   8.077  15.226  -2.622
  573   3HG2  THR  74          3HG2      THR  74   7.444  15.140  -0.975
  574    H    ALA  75           H        ALA  75   9.747  14.432   1.597
  575    HA   ALA  75           HA       ALA  75   7.629  14.380   3.456
  576   1HB   ALA  75          1HB       ALA  75   9.926  15.052   4.024
  577   2HB   ALA  75          2HB       ALA  75   8.736  16.258   4.519
  578   3HB   ALA  75          3HB       ALA  75   9.715  16.525   3.075
  579    H    SER  76           H        SER  76   5.716  15.383   3.483
  580    HA   SER  76           HA       SER  76   5.046  17.106   1.260
  581   1HB   SER  76          1HB       SER  76   2.722  16.961   2.311
  582   2HB   SER  76          2HB       SER  76   3.419  15.455   1.713
  583    HG   SER  76           HG       SER  76   3.595  16.312   4.412
  584    H    ALA  77           H        ALA  77   6.368  18.898   1.886
  585    HA   ALA  77           HA       ALA  77   5.078  20.570   3.947
  586   1HB   ALA  77          1HB       ALA  77   7.922  20.727   2.930
  587   2HB   ALA  77          2HB       ALA  77   7.419  20.045   4.479
  588   3HB   ALA  77          3HB       ALA  77   7.200  21.766   4.160
  589    H    ALA  78           H        ALA  78   3.967  20.332   1.440
  590    HA   ALA  78           HA       ALA  78   4.994  22.236  -0.422
  591   1HB   ALA  78          1HB       ALA  78   3.025  21.719  -1.742
  592   2HB   ALA  78          2HB       ALA  78   2.303  20.881  -0.369
  593   3HB   ALA  78          3HB       ALA  78   3.759  20.237  -1.128
  594    H    ALA  79           H        ALA  79   4.877  24.330  -0.141
  595    HA   ALA  79           HA       ALA  79   2.442  25.487   1.062
  596   1HB   ALA  79          1HB       ALA  79   4.458  25.919   2.395
  597   2HB   ALA  79          2HB       ALA  79   3.816  27.411   1.706
  598   3HB   ALA  79          3HB       ALA  79   5.235  26.648   0.988
  599    H    LYS  80           H        LYS  80   1.163  26.105  -0.573
  600    HA   LYS  80           HA       LYS  80   2.316  27.742  -2.700
  601   1HB   LYS  80          1HB       LYS  80   1.196  26.486  -4.475
  602   2HB   LYS  80          2HB       LYS  80   2.345  25.474  -3.617
  603   1HG   LYS  80          1HG       LYS  80  -0.572  25.443  -2.918
  604   2HG   LYS  80          2HG       LYS  80   0.065  24.482  -4.253
  605   1HD   LYS  80          1HD       LYS  80   1.693  23.476  -2.625
  606   2HD   LYS  80          2HD       LYS  80   0.818  24.305  -1.336
  607   1HE   LYS  80          1HE       LYS  80  -0.400  22.335  -3.269
  608   2HE   LYS  80          2HE       LYS  80   0.122  21.943  -1.631
  609   1HZ   LYS  80          1HZ       LYS  80  -1.932  24.001  -2.256
  610   2HZ   LYS  80          2HZ       LYS  80  -1.538  23.365  -0.728
  611   3HZ   LYS  80          3HZ       LYS  80  -2.299  22.389  -1.883
  612    H    ASP  81           H        ASP  81   0.414  27.922  -0.343
  613    HA   ASP  81           HA       ASP  81  -1.550  29.584  -1.720
  614   1HB   ASP  81          1HB       ASP  81  -2.565  27.292  -1.424
  615   2HB   ASP  81          2HB       ASP  81  -2.398  27.498   0.313
  616    H    GLY  82           H        GLY  82   0.843  29.642   0.201
  617   1HA   GLY  82          1HA       GLY  82   1.226  31.464   1.736
  618   2HA   GLY  82          2HA       GLY  82  -0.437  31.283   2.287
  Start of MODEL   17
    1   1H    SER   1          1H        SER   1 -10.307  -3.940  -6.982
    2   2H    SER   1          2H        SER   1 -11.195  -3.470  -5.616
    3   3H    SER   1          3H        SER   1 -11.212  -5.086  -6.123
    4    HA   SER   1           HA       SER   1  -8.838  -3.629  -5.166
    5   1HB   SER   1          1HB       SER   1 -10.742  -5.494  -3.772
    6   2HB   SER   1          2HB       SER   1  -9.084  -5.281  -3.213
    7    HG   SER   1           HG       SER   1  -9.503  -3.055  -3.002
    8    H    GLN   2           H        GLN   2  -7.780  -4.454  -7.076
    9    HA   GLN   2           HA       GLN   2  -7.154  -7.280  -7.100
   10   1HB   GLN   2          1HB       GLN   2  -5.930  -4.913  -8.542
   11   2HB   GLN   2          2HB       GLN   2  -5.371  -6.570  -8.738
   12   1HG   GLN   2          1HG       GLN   2  -8.149  -5.595  -9.345
   13   2HG   GLN   2          2HG       GLN   2  -6.876  -5.844 -10.539
   14   1HE2  GLN   2          1HE2      GLN   2  -9.478  -7.103 -10.383
   15   2HE2  GLN   2          2HE2      GLN   2  -9.183  -8.805 -10.257
   16    H    GLU   3           H        GLU   3  -6.142  -7.985  -5.347
   17    HA   GLU   3           HA       GLU   3  -4.317  -6.118  -3.985
   18   1HB   GLU   3          1HB       GLU   3  -5.930  -8.372  -2.788
   19   2HB   GLU   3          2HB       GLU   3  -4.913  -7.241  -1.906
   20   1HG   GLU   3          1HG       GLU   3  -6.373  -5.400  -2.608
   21   2HG   GLU   3          2HG       GLU   3  -7.407  -6.559  -3.444
   22    H    TRP   4           H        TRP   4  -2.748  -7.231  -2.548
   23    HA   TRP   4           HA       TRP   4  -1.740  -9.758  -3.604
   24   1HB   TRP   4          1HB       TRP   4  -0.058  -7.249  -3.341
   25   2HB   TRP   4          2HB       TRP   4   0.573  -8.854  -3.690
   26    HD1  TRP   4           HD1      TRP   4  -0.122  -9.912  -6.130
   27    HE1  TRP   4           HE1      TRP   4  -0.601  -8.728  -8.372
   28    HE3  TRP   4           HE3      TRP   4  -0.988  -5.188  -4.374
   29    HZ2  TRP   4           HZ2      TRP   4  -1.254  -6.129  -9.260
   30    HZ3  TRP   4           HZ3      TRP   4  -1.528  -3.413  -5.982
   31    HH2  TRP   4           HH2      TRP   4  -1.658  -3.875  -8.379
   32    H    THR   5           H        THR   5  -0.066 -10.674  -2.119
   33    HA   THR   5           HA       THR   5  -0.630  -9.850   0.638
   34    HB   THR   5           HB       THR   5   0.791 -12.328  -0.376
   35    HG1  THR   5           HG1      THR   5  -1.255 -12.873  -0.705
   36   1HG2  THR   5          1HG2      THR   5   0.616 -13.122   1.936
   37   2HG2  THR   5          2HG2      THR   5  -0.098 -11.582   2.414
   38   3HG2  THR   5          3HG2      THR   5   1.573 -11.644   1.850
   39    H    LEU   6           H        LEU   6   0.628  -8.168   1.089
   40    HA   LEU   6           HA       LEU   6   3.268  -7.958  -0.093
   41   1HB   LEU   6          1HB       LEU   6   1.741  -6.029   1.655
   42   2HB   LEU   6          2HB       LEU   6   3.251  -5.680   0.836
   43    HG   LEU   6           HG       LEU   6   0.628  -6.311  -0.524
   44   1HD1  LEU   6          1HD1      LEU   6   2.124  -3.714  -0.201
   45   2HD1  LEU   6          2HD1      LEU   6   0.589  -4.141   0.558
   46   3HD1  LEU   6          3HD1      LEU   6   0.686  -3.956  -1.194
   47   1HD2  LEU   6          1HD2      LEU   6   3.278  -5.446  -1.677
   48   2HD2  LEU   6          2HD2      LEU   6   1.777  -5.670  -2.575
   49   3HD2  LEU   6          3HD2      LEU   6   2.565  -7.053  -1.818
   50    H    ASP   7           H        ASP   7   5.130  -7.441   1.118
   51    HA   ASP   7           HA       ASP   7   5.074  -8.091   3.982
   52   1HB   ASP   7          1HB       ASP   7   5.786 -10.109   2.654
   53   2HB   ASP   7          2HB       ASP   7   7.138  -9.165   2.042
   54    H    ILE   8           H        ILE   8   5.496  -6.054   4.656
   55    HA   ILE   8           HA       ILE   8   7.818  -4.696   3.471
   56    HB   ILE   8           HB       ILE   8   5.271  -3.497   4.558
   57   1HG1  ILE   8          1HG1      ILE   8   6.555  -3.450   1.817
   58   2HG1  ILE   8          2HG1      ILE   8   5.152  -4.407   2.275
   59   1HG2  ILE   8          1HG2      ILE   8   7.156  -2.130   5.262
   60   2HG2  ILE   8          2HG2      ILE   8   6.239  -1.312   3.993
   61   3HG2  ILE   8          3HG2      ILE   8   7.768  -2.101   3.608
   62   1HD1  ILE   8          1HD1      ILE   8   3.847  -2.408   2.585
   63   2HD1  ILE   8          2HD1      ILE   8   4.595  -2.396   0.987
   64   3HD1  ILE   8          3HD1      ILE   8   5.264  -1.403   2.281
   65    HA   PRO   9           HA       PRO   9   9.647  -5.351   7.465
   66   1HB   PRO   9          1HB       PRO   9  11.550  -3.354   6.366
   67   2HB   PRO   9          2HB       PRO   9  11.859  -4.959   7.036
   68   1HG   PRO   9          1HG       PRO   9  11.994  -4.544   4.418
   69   2HG   PRO   9          2HG       PRO   9  11.283  -6.035   5.061
   70   1HD   PRO   9          1HD       PRO   9   9.925  -3.607   3.964
   71   2HD   PRO   9          2HD       PRO   9   9.525  -5.322   3.738
   72    H    ALA  10           H        ALA  10  10.393  -4.095   9.266
   73    HA   ALA  10           HA       ALA  10   9.235  -1.382   9.427
   74   1HB   ALA  10          1HB       ALA  10   8.812  -1.811  11.812
   75   2HB   ALA  10          2HB       ALA  10   9.399  -3.462  11.617
   76   3HB   ALA  10          3HB       ALA  10   7.933  -2.943  10.785
   77    H    GLN  11           H        GLN  11  11.729  -1.913   8.495
   78    HA   GLN  11           HA       GLN  11  13.461  -0.909  10.645
   79   1HB   GLN  11          1HB       GLN  11  15.349  -1.769   9.271
   80   2HB   GLN  11          2HB       GLN  11  14.249  -3.043   9.784
   81   1HG   GLN  11          1HG       GLN  11  13.188  -3.001   7.577
   82   2HG   GLN  11          2HG       GLN  11  14.326  -1.754   7.066
   83   1HE2  GLN  11          1HE2      GLN  11  13.888  -5.113   7.810
   84   2HE2  GLN  11          2HE2      GLN  11  15.409  -5.657   7.176
   85    H    SER  12           H        SER  12  15.464  -0.118   8.623
   86    HA   SER  12           HA       SER  12  14.770   2.505   8.139
   87   1HB   SER  12          1HB       SER  12  16.583   2.345   6.312
   88   2HB   SER  12          2HB       SER  12  17.053   1.974   7.969
   89    HG   SER  12           HG       SER  12  17.265  -0.098   7.471
   90    H    MET  13           H        MET  13  13.639   3.549   6.747
   91    HA   MET  13           HA       MET  13  11.638   2.626   5.165
   92   1HB   MET  13          1HB       MET  13  12.332   5.024   5.885
   93   2HB   MET  13          2HB       MET  13  13.207   5.058   4.365
   94   1HG   MET  13          1HG       MET  13  11.134   6.109   3.991
   95   2HG   MET  13          2HG       MET  13  11.045   4.524   3.219
   96   1HE   MET  13          1HE       MET  13   8.345   5.415   3.244
   97   2HE   MET  13          2HE       MET  13   8.725   6.733   4.355
   98   3HE   MET  13          3HE       MET  13   7.448   5.581   4.752
   99    H    ASN  14           H        ASN  14  14.995   2.916   4.330
  100    HA   ASN  14           HA       ASN  14  14.985   2.765   1.577
  101   1HB   ASN  14          1HB       ASN  14  16.910   1.469   3.519
  102   2HB   ASN  14          2HB       ASN  14  17.208   1.652   1.796
  103   1HD2  ASN  14          1HD2      ASN  14  19.020   2.893   2.109
  104   2HD2  ASN  14          2HD2      ASN  14  18.953   4.520   2.686
  105    H    SER  15           H        SER  15  14.786   0.081   3.931
  106    HA   SER  15           HA       SER  15  14.953  -1.913   1.870
  107   1HB   SER  15          1HB       SER  15  14.084  -2.324   4.742
  108   2HB   SER  15          2HB       SER  15  14.803  -3.502   3.641
  109    HG   SER  15           HG       SER  15  16.268  -2.553   5.228
  110    H    ALA  16           H        ALA  16  12.443  -0.540   3.931
  111    HA   ALA  16           HA       ALA  16  10.359  -2.275   3.327
  112   1HB   ALA  16          1HB       ALA  16   8.882  -0.516   4.105
  113   2HB   ALA  16          2HB       ALA  16  10.178   0.666   3.942
  114   3HB   ALA  16          3HB       ALA  16  10.308  -0.627   5.136
  115    H    LEU  17           H        LEU  17  11.156   0.832   1.770
  116    HA   LEU  17           HA       LEU  17   9.034   0.679  -0.105
  117   1HB   LEU  17          1HB       LEU  17  11.606   2.261  -0.204
  118   2HB   LEU  17          2HB       LEU  17  10.244   2.493  -1.285
  119    HG   LEU  17           HG       LEU  17  10.230   2.940   1.701
  120   1HD1  LEU  17          1HD1      LEU  17  10.063   4.893  -0.585
  121   2HD1  LEU  17          2HD1      LEU  17  11.464   4.638   0.455
  122   3HD1  LEU  17          3HD1      LEU  17   9.971   5.284   1.132
  123   1HD2  LEU  17          1HD2      LEU  17   8.049   3.363  -0.336
  124   2HD2  LEU  17          2HD2      LEU  17   7.977   3.817   1.367
  125   3HD2  LEU  17          3HD2      LEU  17   8.076   2.117   0.910
  126    H    GLN  18           H        GLN  18  12.429  -0.258  -0.211
  127    HA   GLN  18           HA       GLN  18  12.564  -0.894  -2.941
  128   1HB   GLN  18          1HB       GLN  18  14.496  -0.659  -1.343
  129   2HB   GLN  18          2HB       GLN  18  14.084  -2.240  -0.699
  130   1HG   GLN  18          1HG       GLN  18  14.474  -3.233  -2.899
  131   2HG   GLN  18          2HG       GLN  18  14.907  -1.643  -3.528
  132   1HE2  GLN  18          1HE2      GLN  18  16.979  -2.271  -4.070
  133   2HE2  GLN  18          2HE2      GLN  18  18.199  -2.583  -2.888
  134    H    ALA  19           H        ALA  19  11.556  -2.773  -0.134
  135    HA   ALA  19           HA       ALA  19  11.210  -5.248  -1.468
  136   1HB   ALA  19          1HB       ALA  19   9.845  -4.220   1.021
  137   2HB   ALA  19          2HB       ALA  19  11.380  -5.088   0.968
  138   3HB   ALA  19          3HB       ALA  19   9.890  -5.900   0.483
  139    H    LEU  20           H        LEU  20   9.082  -2.485  -0.899
  140    HA   LEU  20           HA       LEU  20   6.679  -3.709  -1.780
  141   1HB   LEU  20          1HB       LEU  20   6.702  -1.699  -0.390
  142   2HB   LEU  20          2HB       LEU  20   7.493  -0.803  -1.670
  143    HG   LEU  20           HG       LEU  20   5.485  -1.080  -3.084
  144   1HD1  LEU  20          1HD1      LEU  20   4.273  -2.314  -0.615
  145   2HD1  LEU  20          2HD1      LEU  20   4.648  -3.161  -2.115
  146   3HD1  LEU  20          3HD1      LEU  20   3.413  -1.902  -2.098
  147   1HD2  LEU  20          1HD2      LEU  20   4.958   0.123  -0.371
  148   2HD2  LEU  20          2HD2      LEU  20   4.062   0.474  -1.848
  149   3HD2  LEU  20          3HD2      LEU  20   5.762   0.922  -1.721
  150    H    ALA  21           H        ALA  21   9.366  -2.194  -3.335
  151    HA   ALA  21           HA       ALA  21   8.172  -1.447  -5.777
  152   1HB   ALA  21          1HB       ALA  21  10.443  -1.308  -6.648
  153   2HB   ALA  21          2HB       ALA  21  11.047  -2.180  -5.239
  154   3HB   ALA  21          3HB       ALA  21  10.340  -0.576  -5.047
  155    H    LYS  22           H        LYS  22  10.132  -4.307  -4.940
  156    HA   LYS  22           HA       LYS  22   9.748  -5.611  -7.418
  157   1HB   LYS  22          1HB       LYS  22  10.627  -6.557  -4.723
  158   2HB   LYS  22          2HB       LYS  22  10.276  -7.717  -5.994
  159   1HG   LYS  22          1HG       LYS  22  12.573  -7.368  -6.114
  160   2HG   LYS  22          2HG       LYS  22  11.894  -6.423  -7.439
  161   1HD   LYS  22          1HD       LYS  22  12.061  -4.397  -6.077
  162   2HD   LYS  22          2HD       LYS  22  12.725  -5.347  -4.745
  163   1HE   LYS  22          1HE       LYS  22  14.549  -6.063  -6.347
  164   2HE   LYS  22          2HE       LYS  22  13.955  -4.810  -7.435
  165   1HZ   LYS  22          1HZ       LYS  22  14.417  -3.151  -5.778
  166   2HZ   LYS  22          2HZ       LYS  22  15.815  -4.081  -6.040
  167   3HZ   LYS  22          3HZ       LYS  22  14.878  -4.340  -4.654
  168    H    GLN  23           H        GLN  23   7.916  -5.721  -4.414
  169    HA   GLN  23           HA       GLN  23   6.429  -8.029  -5.071
  170   1HB   GLN  23          1HB       GLN  23   5.984  -5.829  -3.069
  171   2HB   GLN  23          2HB       GLN  23   4.912  -7.219  -3.206
  172   1HG   GLN  23          1HG       GLN  23   6.671  -8.723  -2.636
  173   2HG   GLN  23          2HG       GLN  23   7.873  -7.440  -2.746
  174   1HE2  GLN  23          1HE2      GLN  23   8.583  -7.825  -0.667
  175   2HE2  GLN  23          2HE2      GLN  23   7.667  -7.331   0.723
  176    H    THR  24           H        THR  24   5.972  -4.677  -5.927
  177    HA   THR  24           HA       THR  24   3.370  -5.404  -7.100
  178    HB   THR  24           HB       THR  24   3.035  -2.902  -7.286
  179    HG1  THR  24           HG1      THR  24   5.152  -2.743  -5.385
  180   1HG2  THR  24          1HG2      THR  24   3.402  -4.066  -4.519
  181   2HG2  THR  24          2HG2      THR  24   1.956  -4.195  -5.522
  182   3HG2  THR  24          3HG2      THR  24   2.464  -2.624  -4.904
  183    H    ASP  25           H        ASP  25   6.577  -4.861  -7.831
  184    HA   ASP  25           HA       ASP  25   7.799  -4.602  -9.709
  185   1HB   ASP  25          1HB       ASP  25   6.230  -6.427 -10.512
  186   2HB   ASP  25          2HB       ASP  25   5.286  -5.158 -11.290
  187    H    THR  26           H        THR  26   6.683  -2.353  -8.497
  188    HA   THR  26           HA       THR  26   6.039  -0.574 -10.746
  189    HB   THR  26           HB       THR  26   5.409   1.058  -8.948
  190    HG1  THR  26           HG1      THR  26   5.254  -1.010  -7.070
  191   1HG2  THR  26          1HG2      THR  26   3.722  -0.336 -10.060
  192   2HG2  THR  26          2HG2      THR  26   3.301  -0.039  -8.373
  193   3HG2  THR  26          3HG2      THR  26   3.973  -1.596  -8.853
  194    H    GLN  27           H        GLN  27   6.932   1.726 -10.345
  195    HA   GLN  27           HA       GLN  27   9.790   1.481  -9.687
  196   1HB   GLN  27          1HB       GLN  27   9.350   2.066 -12.017
  197   2HB   GLN  27          2HB       GLN  27   8.361   3.423 -11.512
  198   1HG   GLN  27          1HG       GLN  27  10.233   4.600 -10.680
  199   2HG   GLN  27          2HG       GLN  27  11.271   3.182 -10.820
  200   1HE2  GLN  27          1HE2      GLN  27   9.571   5.667 -12.593
  201   2HE2  GLN  27          2HE2      GLN  27  10.485   5.516 -14.057
  202    H    LEU  28           H        LEU  28  10.419   2.477  -7.857
  203    HA   LEU  28           HA       LEU  28   8.554   4.450  -6.733
  204   1HB   LEU  28          1HB       LEU  28  10.566   2.712  -5.306
  205   2HB   LEU  28          2HB       LEU  28   9.509   3.881  -4.538
  206    HG   LEU  28           HG       LEU  28   8.709   1.310  -5.895
  207   1HD1  LEU  28          1HD1      LEU  28   8.447   2.315  -3.070
  208   2HD1  LEU  28          2HD1      LEU  28   9.536   1.051  -3.644
  209   3HD1  LEU  28          3HD1      LEU  28   7.792   0.794  -3.682
  210   1HD2  LEU  28          1HD2      LEU  28   6.404   1.894  -5.355
  211   2HD2  LEU  28          2HD2      LEU  28   7.109   3.054  -6.481
  212   3HD2  LEU  28          3HD2      LEU  28   6.933   3.474  -4.777
  213    H    LEU  29           H        LEU  29   9.202   6.437  -6.268
  214    HA   LEU  29           HA       LEU  29  12.041   7.088  -6.732
  215   1HB   LEU  29          1HB       LEU  29  10.106   8.010  -8.241
  216   2HB   LEU  29          2HB       LEU  29   9.801   9.082  -6.890
  217    HG   LEU  29           HG       LEU  29  11.164  10.112  -8.689
  218   1HD1  LEU  29          1HD1      LEU  29  12.903  11.053  -7.242
  219   2HD1  LEU  29          2HD1      LEU  29  12.582   9.794  -6.049
  220   3HD1  LEU  29          3HD1      LEU  29  11.338  10.983  -6.431
  221   1HD2  LEU  29          1HD2      LEU  29  12.368   8.124  -9.407
  222   2HD2  LEU  29          2HD2      LEU  29  13.224   8.074  -7.867
  223   3HD2  LEU  29          3HD2      LEU  29  13.489   9.418  -8.977
  224    H    TYR  30           H        TYR  30  13.024   7.306  -4.829
  225    HA   TYR  30           HA       TYR  30  11.995   9.215  -2.925
  226   1HB   TYR  30          1HB       TYR  30  12.143   7.725  -0.993
  227   2HB   TYR  30          2HB       TYR  30  10.948   7.138  -2.141
  228    HD1  TYR  30           HD1      TYR  30  11.520   5.152  -3.585
  229    HD2  TYR  30           HD2      TYR  30  14.004   6.401  -0.359
  230    HE1  TYR  30           HE1      TYR  30  12.600   2.942  -3.564
  231    HE2  TYR  30           HE2      TYR  30  15.088   4.195  -0.334
  232    HH   TYR  30           HH       TYR  30  14.558   1.870  -1.024
  233    H    SER  31           H        SER  31  13.600  10.108  -1.642
  234    HA   SER  31           HA       SER  31  16.326   9.416  -2.495
  235   1HB   SER  31          1HB       SER  31  15.512  11.664  -3.159
  236   2HB   SER  31          2HB       SER  31  15.260  12.055  -1.461
  237    HG   SER  31           HG       SER  31  17.229  12.788  -1.666
  238    HA   PRO  32           HA       PRO  32  16.799   7.766   1.632
  239   1HB   PRO  32          1HB       PRO  32  19.657   8.022   0.826
  240   2HB   PRO  32          2HB       PRO  32  18.792   6.634   1.498
  241   1HG   PRO  32          1HG       PRO  32  19.401   6.715  -1.087
  242   2HG   PRO  32          2HG       PRO  32  17.838   6.074  -0.546
  243   1HD   PRO  32          1HD       PRO  32  18.479   8.716  -1.784
  244   2HD   PRO  32          2HD       PRO  32  17.059   7.677  -2.013
  245    H    GLU  33           H        GLU  33  18.774  10.490   0.460
  246    HA   GLU  33           HA       GLU  33  19.612  11.290   3.070
  247   1HB   GLU  33          1HB       GLU  33  20.866  11.982   1.091
  248   2HB   GLU  33          2HB       GLU  33  19.475  12.882   0.498
  249   1HG   GLU  33          1HG       GLU  33  19.608  14.291   2.556
  250   2HG   GLU  33          2HG       GLU  33  21.119  13.475   2.947
  251    H    ASP  34           H        ASP  34  16.909  12.145   0.997
  252    HA   ASP  34           HA       ASP  34  16.201  14.434   2.600
  253   1HB   ASP  34          1HB       ASP  34  14.859  13.180   0.199
  254   2HB   ASP  34          2HB       ASP  34  14.316  14.664   0.980
  255    H    ILE  35           H        ILE  35  15.620  11.150   2.919
  256    HA   ILE  35           HA       ILE  35  13.019  11.589   4.189
  257    HB   ILE  35           HB       ILE  35  12.878   9.145   4.417
  258   1HG1  ILE  35          1HG1      ILE  35  15.495   9.108   2.899
  259   2HG1  ILE  35          2HG1      ILE  35  15.300   8.681   4.597
  260   1HG2  ILE  35          1HG2      ILE  35  13.500  10.100   1.628
  261   2HG2  ILE  35          2HG2      ILE  35  11.936  10.173   2.442
  262   3HG2  ILE  35          3HG2      ILE  35  12.645   8.610   2.024
  263   1HD1  ILE  35          1HD1      ILE  35  14.082   7.246   2.250
  264   2HD1  ILE  35          2HD1      ILE  35  13.861   6.815   3.944
  265   3HD1  ILE  35          3HD1      ILE  35  15.460   6.705   3.209
  266    H    GLY  36           H        GLY  36  16.257  11.561   4.983
  267   1HA   GLY  36          1HA       GLY  36  17.340  11.711   7.002
  268   2HA   GLY  36          2HA       GLY  36  15.760  11.894   7.744
  269    H    GLY  37           H        GLY  37  16.352   9.058   5.870
  270   1HA   GLY  37          1HA       GLY  37  16.502   6.842   6.445
  271   2HA   GLY  37          2HA       GLY  37  17.441   7.372   7.833
  272    H    LEU  38           H        LEU  38  14.043   7.681   6.830
  273    HA   LEU  38           HA       LEU  38  12.999   7.428   9.448
  274   1HB   LEU  38          1HB       LEU  38  11.737   7.082   6.732
  275   2HB   LEU  38          2HB       LEU  38  10.829   6.985   8.228
  276    HG   LEU  38           HG       LEU  38  12.360   9.420   7.314
  277   1HD1  LEU  38          1HD1      LEU  38  10.160  10.369   6.830
  278   2HD1  LEU  38          2HD1      LEU  38   9.401   8.828   7.233
  279   3HD1  LEU  38          3HD1      LEU  38  10.474   8.946   5.837
  280   1HD2  LEU  38          1HD2      LEU  38  11.141  10.551   9.097
  281   2HD2  LEU  38          2HD2      LEU  38  12.122   9.233   9.745
  282   3HD2  LEU  38          3HD2      LEU  38  10.379   9.027   9.554
  283    H    ARG  39           H        ARG  39  11.602   5.680  10.210
  284    HA   ARG  39           HA       ARG  39  12.238   3.073   9.014
  285   1HB   ARG  39          1HB       ARG  39  11.606   2.072  11.204
  286   2HB   ARG  39          2HB       ARG  39  13.047   3.064  11.274
  287   1HG   ARG  39          1HG       ARG  39  11.718   4.900  12.229
  288   2HG   ARG  39          2HG       ARG  39  10.288   3.861  12.180
  289   1HD   ARG  39          1HD       ARG  39  11.493   2.234  13.614
  290   2HD   ARG  39          2HD       ARG  39  12.818   3.389  13.745
  291    HE   ARG  39           HE       ARG  39  10.304   4.517  14.527
  292   1HH1  ARG  39          1HH1      ARG  39  13.045   2.609  15.567
  293   2HH1  ARG  39          2HH1      ARG  39  12.764   2.875  17.262
  294   1HH2  ARG  39          1HH2      ARG  39   9.925   4.885  16.767
  295   2HH2  ARG  39          2HH2      ARG  39  10.969   4.144  17.947
  296    H    SER  40           H        SER  40  10.585   1.746   8.493
  297    HA   SER  40           HA       SER  40   8.062   3.113   8.109
  298   1HB   SER  40          1HB       SER  40   7.606   0.996   6.736
  299   2HB   SER  40          2HB       SER  40   8.889   2.064   6.166
  300    HG   SER  40           HG       SER  40   9.037  -0.506   7.168
  301    H    SER  41           H        SER  41   6.059   2.226   8.643
  302    HA   SER  41           HA       SER  41   6.004   0.372  10.874
  303   1HB   SER  41          1HB       SER  41   3.728   1.738   9.403
  304   2HB   SER  41          2HB       SER  41   3.593   0.851  10.919
  305    HG   SER  41           HG       SER  41   5.489   2.632  11.278
  306    H    ALA  42           H        ALA  42   5.748  -1.750  10.614
  307    HA   ALA  42           HA       ALA  42   6.026  -2.935   8.113
  308   1HB   ALA  42          1HB       ALA  42   6.697  -3.993  10.220
  309   2HB   ALA  42          2HB       ALA  42   5.685  -5.052   9.239
  310   3HB   ALA  42          3HB       ALA  42   4.999  -4.223  10.637
  311    H    LEU  43           H        LEU  43   4.607  -2.853   6.535
  312    HA   LEU  43           HA       LEU  43   1.771  -3.340   7.146
  313   1HB   LEU  43          1HB       LEU  43   2.585  -1.156   5.976
  314   2HB   LEU  43          2HB       LEU  43   2.789  -2.174   4.565
  315    HG   LEU  43           HG       LEU  43   0.649  -0.891   4.605
  316   1HD1  LEU  43          1HD1      LEU  43   0.852  -2.939   3.282
  317   2HD1  LEU  43          2HD1      LEU  43  -0.781  -2.722   3.912
  318   3HD1  LEU  43          3HD1      LEU  43   0.308  -3.885   4.670
  319   1HD2  LEU  43          1HD2      LEU  43   0.215  -0.956   6.988
  320   2HD2  LEU  43          2HD2      LEU  43   0.011  -2.707   6.924
  321   3HD2  LEU  43          3HD2      LEU  43  -1.139  -1.655   6.098
  322    H    LYS  44           H        LYS  44   1.871  -5.555   7.147
  323    HA   LYS  44           HA       LYS  44   2.510  -6.785   4.556
  324   1HB   LYS  44          1HB       LYS  44   3.198  -8.828   5.878
  325   2HB   LYS  44          2HB       LYS  44   4.280  -7.447   5.988
  326   1HG   LYS  44          1HG       LYS  44   3.326  -6.868   8.158
  327   2HG   LYS  44          2HG       LYS  44   2.231  -8.245   8.042
  328   1HD   LYS  44          1HD       LYS  44   4.181  -9.751   7.947
  329   2HD   LYS  44          2HD       LYS  44   5.244  -8.355   8.145
  330   1HE   LYS  44          1HE       LYS  44   4.877  -9.514  10.269
  331   2HE   LYS  44          2HE       LYS  44   4.233  -7.871  10.304
  332   1HZ   LYS  44          1HZ       LYS  44   2.709  -9.488  11.298
  333   2HZ   LYS  44          2HZ       LYS  44   2.621 -10.324   9.826
  334   3HZ   LYS  44          3HZ       LYS  44   2.024  -8.738   9.942
  335    H    GLY  45           H        GLY  45   0.630  -7.235   3.697
  336   1HA   GLY  45          1HA       GLY  45  -1.164  -9.118   4.742
  337   2HA   GLY  45          2HA       GLY  45  -1.788  -7.509   5.082
  338    H    ARG  46           H        ARG  46  -3.569  -8.256   3.649
  339    HA   ARG  46           HA       ARG  46  -2.789  -8.159   0.810
  340   1HB   ARG  46          1HB       ARG  46  -4.094 -10.174   1.793
  341   2HB   ARG  46          2HB       ARG  46  -5.474  -9.082   1.788
  342   1HG   ARG  46          1HG       ARG  46  -4.960  -8.684  -0.664
  343   2HG   ARG  46          2HG       ARG  46  -3.878 -10.074  -0.550
  344   1HD   ARG  46          1HD       ARG  46  -5.931 -11.283   0.449
  345   2HD   ARG  46          2HD       ARG  46  -6.854  -9.964  -0.271
  346    HE   ARG  46           HE       ARG  46  -5.115 -11.796  -1.801
  347   1HH1  ARG  46          1HH1      ARG  46  -7.889  -9.649  -1.637
  348   2HH1  ARG  46          2HH1      ARG  46  -8.548 -10.196  -3.153
  349   1HH2  ARG  46          1HH2      ARG  46  -5.992 -12.525  -3.758
  350   2HH2  ARG  46          2HH2      ARG  46  -7.475 -11.838  -4.359
  351    H    HIS  47           H        HIS  47  -3.009  -6.169   0.010
  352    HA   HIS  47           HA       HIS  47  -5.617  -4.932   0.105
  353   1HB   HIS  47          1HB       HIS  47  -3.245  -3.673   1.438
  354   2HB   HIS  47          2HB       HIS  47  -4.436  -2.648   0.647
  355    HD1  HIS  47           HD1      HIS  47  -7.049  -3.367   1.501
  356    HD2  HIS  47           HD2      HIS  47  -3.822  -4.025   4.046
  357    HE1  HIS  47           HE1      HIS  47  -8.031  -3.539   3.812
  358    HE2  HIS  47           HE2      HIS  47  -6.051  -3.802   5.357
  359    H    ASP  48           H        ASP  48  -5.566  -2.846  -1.244
  360    HA   ASP  48           HA       ASP  48  -4.396  -3.433  -3.776
  361   1HB   ASP  48          1HB       ASP  48  -5.866  -1.011  -2.732
  362   2HB   ASP  48          2HB       ASP  48  -5.267  -1.125  -4.384
  363    H    LEU  49           H        LEU  49  -3.164  -1.681  -4.985
  364    HA   LEU  49           HA       LEU  49  -0.686  -1.274  -3.722
  365   1HB   LEU  49          1HB       LEU  49  -1.142  -1.430  -6.197
  366   2HB   LEU  49          2HB       LEU  49  -1.761   0.208  -6.124
  367    HG   LEU  49           HG       LEU  49   1.025  -0.340  -5.177
  368   1HD1  LEU  49          1HD1      LEU  49   0.886  -1.450  -7.338
  369   2HD1  LEU  49          2HD1      LEU  49   1.848   0.023  -7.452
  370   3HD1  LEU  49          3HD1      LEU  49   0.191   0.003  -8.053
  371   1HD2  LEU  49          1HD2      LEU  49  -0.258   2.005  -6.582
  372   2HD2  LEU  49          2HD2      LEU  49   1.393   1.933  -5.969
  373   3HD2  LEU  49          3HD2      LEU  49   0.035   1.885  -4.845
  374    H    GLN  50           H        GLN  50  -3.116   1.164  -4.699
  375    HA   GLN  50           HA       GLN  50  -1.870   3.267  -3.272
  376   1HB   GLN  50          1HB       GLN  50  -4.647   2.973  -4.391
  377   2HB   GLN  50          2HB       GLN  50  -4.125   4.420  -3.538
  378   1HG   GLN  50          1HG       GLN  50  -2.239   4.583  -5.192
  379   2HG   GLN  50          2HG       GLN  50  -3.035   3.300  -6.103
  380   1HE2  GLN  50          1HE2      GLN  50  -4.959   3.735  -7.163
  381   2HE2  GLN  50          2HE2      GLN  50  -5.533   5.348  -7.433
  382    H    SER  51           H        SER  51  -4.237   0.871  -2.332
  383    HA   SER  51           HA       SER  51  -5.109   2.084   0.054
  384   1HB   SER  51          1HB       SER  51  -4.876  -0.857  -0.624
  385   2HB   SER  51          2HB       SER  51  -5.800  -0.188   0.723
  386    HG   SER  51           HG       SER  51  -7.287   0.550  -0.620
  387    H    SER  52           H        SER  52  -2.475  -0.203  -0.599
  388    HA   SER  52           HA       SER  52  -1.489  -0.411   2.011
  389   1HB   SER  52          1HB       SER  52  -0.783  -1.880   0.147
  390   2HB   SER  52          2HB       SER  52   0.065  -0.522  -0.591
  391    HG   SER  52           HG       SER  52   1.591  -1.577   0.559
  392    H    LEU  53           H        LEU  53  -0.649   1.831  -0.611
  393    HA   LEU  53           HA       LEU  53   1.336   3.284   0.701
  394   1HB   LEU  53          1HB       LEU  53  -0.660   4.221  -1.361
  395   2HB   LEU  53          2HB       LEU  53   0.780   5.102  -0.892
  396    HG   LEU  53           HG       LEU  53   0.771   2.378  -2.198
  397   1HD1  LEU  53          1HD1      LEU  53  -0.021   4.097  -3.724
  398   2HD1  LEU  53          2HD1      LEU  53   1.601   3.568  -4.173
  399   3HD1  LEU  53          3HD1      LEU  53   1.374   5.104  -3.336
  400   1HD2  LEU  53          1HD2      LEU  53   3.016   4.277  -1.528
  401   2HD2  LEU  53          2HD2      LEU  53   3.178   2.812  -2.493
  402   3HD2  LEU  53          3HD2      LEU  53   2.718   2.700  -0.794
  403    H    ARG  54           H        ARG  54  -2.175   3.666   0.726
  404    HA   ARG  54           HA       ARG  54  -2.249   6.145   2.067
  405   1HB   ARG  54          1HB       ARG  54  -4.167   5.219   0.851
  406   2HB   ARG  54          2HB       ARG  54  -4.307   3.928   2.038
  407   1HG   ARG  54          1HG       ARG  54  -4.794   5.596   3.772
  408   2HG   ARG  54          2HG       ARG  54  -4.692   6.872   2.554
  409   1HD   ARG  54          1HD       ARG  54  -6.649   4.576   2.571
  410   2HD   ARG  54          2HD       ARG  54  -7.013   6.250   2.984
  411    HE   ARG  54           HE       ARG  54  -6.087   6.553   0.517
  412   1HH1  ARG  54          1HH1      ARG  54  -8.350   4.199   1.790
  413   2HH1  ARG  54          2HH1      ARG  54  -9.204   4.024   0.286
  414   1HH2  ARG  54          1HH2      ARG  54  -7.202   6.319  -1.451
  415   2HH2  ARG  54          2HH2      ARG  54  -8.554   5.223  -1.554
  416    H    ILE  55           H        ILE  55  -2.445   2.812   3.297
  417    HA   ILE  55           HA       ILE  55  -2.776   3.599   6.021
  418    HB   ILE  55           HB       ILE  55  -1.798   0.938   4.963
  419   1HG1  ILE  55          1HG1      ILE  55  -4.615   1.847   5.607
  420   2HG1  ILE  55          2HG1      ILE  55  -3.974   1.594   3.987
  421   1HG2  ILE  55          1HG2      ILE  55  -1.381   1.269   7.350
  422   2HG2  ILE  55          2HG2      ILE  55  -2.625   0.048   7.085
  423   3HG2  ILE  55          3HG2      ILE  55  -3.080   1.673   7.594
  424   1HD1  ILE  55          1HD1      ILE  55  -3.685  -0.774   4.464
  425   2HD1  ILE  55          2HD1      ILE  55  -5.358  -0.272   4.714
  426   3HD1  ILE  55          3HD1      ILE  55  -4.297  -0.529   6.099
  427    H    LEU  56           H        LEU  56  -0.023   2.920   3.976
  428    HA   LEU  56           HA       LEU  56   1.886   2.857   6.115
  429   1HB   LEU  56          1HB       LEU  56   2.038   1.821   3.744
  430   2HB   LEU  56          2HB       LEU  56   2.512   3.425   3.227
  431    HG   LEU  56           HG       LEU  56   4.013   1.975   5.397
  432   1HD1  LEU  56          1HD1      LEU  56   3.970   0.519   3.439
  433   2HD1  LEU  56          2HD1      LEU  56   5.576   1.207   3.690
  434   3HD1  LEU  56          3HD1      LEU  56   4.526   1.856   2.428
  435   1HD2  LEU  56          1HD2      LEU  56   4.449   4.362   5.179
  436   2HD2  LEU  56          2HD2      LEU  56   4.788   4.154   3.460
  437   3HD2  LEU  56          3HD2      LEU  56   5.850   3.421   4.664
  438    H    LEU  57           H        LEU  57   0.544   5.271   3.962
  439    HA   LEU  57           HA       LEU  57   2.421   7.321   4.401
  440   1HB   LEU  57          1HB       LEU  57   0.583   7.172   2.620
  441   2HB   LEU  57          2HB       LEU  57  -0.505   7.767   3.862
  442    HG   LEU  57           HG       LEU  57   1.052   9.759   4.094
  443   1HD1  LEU  57          1HD1      LEU  57   2.117   8.650   1.500
  444   2HD1  LEU  57          2HD1      LEU  57   3.004   8.774   3.020
  445   3HD1  LEU  57          3HD1      LEU  57   2.492  10.234   2.174
  446   1HD2  LEU  57          1HD2      LEU  57  -1.104   9.881   2.947
  447   2HD2  LEU  57          2HD2      LEU  57  -0.340   9.341   1.451
  448   3HD2  LEU  57          3HD2      LEU  57   0.102  10.897   2.155
  449    H    GLN  58           H        GLN  58  -0.674   6.592   5.950
  450    HA   GLN  58           HA       GLN  58  -0.924   8.590   7.781
  451   1HB   GLN  58          1HB       GLN  58  -2.571   6.836   7.588
  452   2HB   GLN  58          2HB       GLN  58  -1.426   5.638   8.175
  453   1HG   GLN  58          1HG       GLN  58  -1.402   6.672  10.357
  454   2HG   GLN  58          2HG       GLN  58  -2.461   7.961   9.786
  455   1HE2  GLN  58          1HE2      GLN  58  -2.807   6.010  11.939
  456   2HE2  GLN  58          2HE2      GLN  58  -4.291   5.189  11.598
  457    H    GLY  59           H        GLY  59   0.622   9.477   8.985
  458   1HA   GLY  59          1HA       GLY  59   1.698   9.261  11.163
  459   2HA   GLY  59          2HA       GLY  59   2.241   7.668  10.661
  460    H    THR  60           H        THR  60   2.821   8.962   7.910
  461    HA   THR  60           HA       THR  60   5.560   9.635   8.675
  462    HB   THR  60           HB       THR  60   6.109   9.353   6.287
  463    HG1  THR  60           HG1      THR  60   3.402   8.513   5.964
  464   1HG2  THR  60          1HG2      THR  60   6.247   7.425   7.765
  465   2HG2  THR  60          2HG2      THR  60   5.697   6.929   6.162
  466   3HG2  THR  60          3HG2      THR  60   4.542   7.068   7.488
  467    H    GLY  61           H        GLY  61   2.762  11.320   7.920
  468   1HA   GLY  61          1HA       GLY  61   2.305  13.459   7.274
  469   2HA   GLY  61          2HA       GLY  61   3.923  13.832   7.837
  470    H    LEU  62           H        LEU  62   3.697  11.567   5.254
  471    HA   LEU  62           HA       LEU  62   4.842  13.601   3.475
  472   1HB   LEU  62          1HB       LEU  62   4.986  10.586   3.428
  473   2HB   LEU  62          2HB       LEU  62   5.674  11.620   2.190
  474    HG   LEU  62           HG       LEU  62   6.488  11.667   5.099
  475   1HD1  LEU  62          1HD1      LEU  62   7.860  10.413   2.727
  476   2HD1  LEU  62          2HD1      LEU  62   7.111   9.550   4.069
  477   3HD1  LEU  62          3HD1      LEU  62   8.533  10.553   4.350
  478   1HD2  LEU  62          1HD2      LEU  62   8.371  12.999   4.279
  479   2HD2  LEU  62          2HD2      LEU  62   6.824  13.788   3.962
  480   3HD2  LEU  62          3HD2      LEU  62   7.682  12.968   2.657
  481    H    ARG  63           H        ARG  63   4.442  12.983   1.052
  482    HA   ARG  63           HA       ARG  63   1.605  12.264   0.694
  483   1HB   ARG  63          1HB       ARG  63   3.112  14.329  -0.922
  484   2HB   ARG  63          2HB       ARG  63   1.407  13.923  -1.060
  485   1HG   ARG  63          1HG       ARG  63   2.653  15.048   1.418
  486   2HG   ARG  63          2HG       ARG  63   1.891  16.033   0.170
  487   1HD   ARG  63          1HD       ARG  63  -0.226  15.251   0.679
  488   2HD   ARG  63          2HD       ARG  63   0.388  13.762   1.401
  489    HE   ARG  63           HE       ARG  63   1.351  15.603   3.079
  490   1HH1  ARG  63          1HH1      ARG  63  -1.880  15.354   1.711
  491   2HH1  ARG  63          2HH1      ARG  63  -2.658  15.895   3.173
  492   1HH2  ARG  63          1HH2      ARG  63   0.329  16.324   4.956
  493   2HH2  ARG  63          2HH2      ARG  63  -1.401  16.471   5.012
  494    H    TYR  64           H        TYR  64   1.229  10.733  -0.861
  495    HA   TYR  64           HA       TYR  64   3.597   9.866  -2.347
  496   1HB   TYR  64          1HB       TYR  64   2.559   7.709  -2.688
  497   2HB   TYR  64          2HB       TYR  64   2.579   8.110  -0.980
  498    HD1  TYR  64           HD1      TYR  64   0.436   8.740   0.150
  499    HD2  TYR  64           HD2      TYR  64   0.537   7.280  -3.844
  500    HE1  TYR  64           HE1      TYR  64  -1.950   8.163   0.305
  501    HE2  TYR  64           HE2      TYR  64  -1.848   6.704  -3.701
  502    HH   TYR  64           HH       TYR  64  -3.491   6.150  -1.893
  503    H    GLN  65           H        GLN  65   3.828  10.423  -4.318
  504    HA   GLN  65           HA       GLN  65   1.501  11.241  -5.914
  505   1HB   GLN  65          1HB       GLN  65   3.251  12.911  -5.714
  506   2HB   GLN  65          2HB       GLN  65   4.470  11.746  -6.208
  507   1HG   GLN  65          1HG       GLN  65   3.388  11.617  -8.425
  508   2HG   GLN  65          2HG       GLN  65   2.272  12.883  -7.914
  509   1HE2  GLN  65          1HE2      GLN  65   2.993  14.270  -9.533
  510   2HE2  GLN  65          2HE2      GLN  65   4.525  15.067  -9.445
  511    H    ILE  66           H        ILE  66   0.717   9.679  -7.211
  512    HA   ILE  66           HA       ILE  66   2.597   7.645  -8.193
  513    HB   ILE  66           HB       ILE  66   0.817   6.661  -6.902
  514   1HG1  ILE  66          1HG1      ILE  66   0.341   6.169  -9.849
  515   2HG1  ILE  66          2HG1      ILE  66   1.635   5.453  -8.896
  516   1HG2  ILE  66          1HG2      ILE  66  -1.109   8.003  -8.792
  517   2HG2  ILE  66          2HG2      ILE  66  -0.864   8.393  -7.088
  518   3HG2  ILE  66          3HG2      ILE  66  -1.539   6.828  -7.548
  519   1HD1  ILE  66          1HD1      ILE  66  -0.226   3.912  -9.237
  520   2HD1  ILE  66          2HD1      ILE  66  -1.306   5.040  -8.418
  521   3HD1  ILE  66          3HD1      ILE  66   0.015   4.282  -7.531
  522    H    ASP  67           H        ASP  67   3.262   7.901 -10.168
  523    HA   ASP  67           HA       ASP  67   1.451   9.079 -12.170
  524   1HB   ASP  67          1HB       ASP  67   3.095  10.766 -11.438
  525   2HB   ASP  67          2HB       ASP  67   4.404   9.663 -11.847
  526    H    GLY  68           H        GLY  68   1.059   7.586 -13.644
  527   1HA   GLY  68          1HA       GLY  68   1.366   5.859 -15.138
  528   2HA   GLY  68          2HA       GLY  68   3.093   6.182 -15.043
  529    H    ASN  69           H        ASN  69   4.309   4.622 -14.216
  530    HA   ASN  69           HA       ASN  69   3.051   2.734 -12.316
  531   1HB   ASN  69          1HB       ASN  69   3.947   1.849 -14.605
  532   2HB   ASN  69          2HB       ASN  69   5.537   2.078 -13.886
  533   1HD2  ASN  69          1HD2      ASN  69   6.087  -0.058 -13.778
  534   2HD2  ASN  69          2HD2      ASN  69   5.291  -1.202 -12.754
  535    H    THR  70           H        THR  70   4.525   5.390 -12.138
  536    HA   THR  70           HA       THR  70   6.738   4.562 -10.391
  537    HB   THR  70           HB       THR  70   6.322   7.249 -11.716
  538    HG1  THR  70           HG1      THR  70   7.184   6.328 -13.403
  539   1HG2  THR  70          1HG2      THR  70   8.622   7.702 -11.047
  540   2HG2  THR  70          2HG2      THR  70   8.734   6.111 -10.292
  541   3HG2  THR  70          3HG2      THR  70   7.640   7.328  -9.630
  542    H    VAL  71           H        VAL  71   6.728   5.152  -8.313
  543    HA   VAL  71           HA       VAL  71   4.518   6.866  -7.377
  544    HB   VAL  71           HB       VAL  71   5.758   4.610  -5.796
  545   1HG1  VAL  71          1HG1      VAL  71   3.254   6.238  -5.387
  546   2HG1  VAL  71          2HG1      VAL  71   4.737   6.330  -4.440
  547   3HG1  VAL  71          3HG1      VAL  71   3.752   4.869  -4.392
  548   1HG2  VAL  71          1HG2      VAL  71   3.187   4.564  -7.380
  549   2HG2  VAL  71          2HG2      VAL  71   3.746   3.300  -6.285
  550   3HG2  VAL  71          3HG2      VAL  71   4.657   3.661  -7.753
  551    H    THR  72           H        THR  72   5.250   8.690  -6.530
  552    HA   THR  72           HA       THR  72   8.055   8.795  -5.654
  553    HB   THR  72           HB       THR  72   6.275  11.083  -6.528
  554    HG1  THR  72           HG1      THR  72   6.746   9.787  -8.309
  555   1HG2  THR  72          1HG2      THR  72   9.253  10.953  -6.039
  556   2HG2  THR  72          2HG2      THR  72   8.072  11.747  -4.999
  557   3HG2  THR  72          3HG2      THR  72   8.363  12.358  -6.628
  558    H    VAL  73           H        VAL  73   8.360   8.907  -3.547
  559    HA   VAL  73           HA       VAL  73   6.200   9.739  -1.776
  560    HB   VAL  73           HB       VAL  73   8.983   8.798  -1.043
  561   1HG1  VAL  73          1HG1      VAL  73   7.994   8.317   1.137
  562   2HG1  VAL  73          2HG1      VAL  73   6.444   8.949   0.577
  563   3HG1  VAL  73          3HG1      VAL  73   7.835  10.024   0.725
  564   1HG2  VAL  73          1HG2      VAL  73   6.440   7.184  -1.247
  565   2HG2  VAL  73          2HG2      VAL  73   7.997   6.598  -0.661
  566   3HG2  VAL  73          3HG2      VAL  73   7.815   7.085  -2.345
  567    H    THR  74           H        THR  74   5.987  11.915  -1.712
  568    HA   THR  74           HA       THR  74   8.456  13.519  -1.606
  569    HB   THR  74           HB       THR  74   7.208  13.797  -3.724
  570    HG1  THR  74           HG1      THR  74   6.776  16.234  -3.251
  571   1HG2  THR  74          1HG2      THR  74   5.027  14.938  -3.705
  572   2HG2  THR  74          2HG2      THR  74   4.990  14.814  -1.946
  573   3HG2  THR  74          3HG2      THR  74   4.955  13.353  -2.934
  574    H    ALA  75           H        ALA  75   8.223  15.589  -0.479
  575    HA   ALA  75           HA       ALA  75   6.940  15.261   2.054
  576   1HB   ALA  75          1HB       ALA  75   7.933  17.428   2.599
  577   2HB   ALA  75          2HB       ALA  75   8.398  17.644   0.910
  578   3HB   ALA  75          3HB       ALA  75   9.122  16.350   1.867
  579    H    SER  76           H        SER  76   5.536  16.985   2.983
  580    HA   SER  76           HA       SER  76   3.297  17.359   1.227
  581   1HB   SER  76          1HB       SER  76   3.736  18.184   4.103
  582   2HB   SER  76          2HB       SER  76   2.197  18.294   3.249
  583    HG   SER  76           HG       SER  76   3.576  16.042   4.179
  584    H    ALA  77           H        ALA  77   5.213  18.782   0.044
  585    HA   ALA  77           HA       ALA  77   5.176  21.551   0.727
  586   1HB   ALA  77          1HB       ALA  77   6.960  20.588  -0.644
  587   2HB   ALA  77          2HB       ALA  77   6.142  21.901  -1.493
  588   3HB   ALA  77          3HB       ALA  77   5.792  20.225  -1.914
  589    H    ALA  78           H        ALA  78   3.243  19.431  -1.245
  590    HA   ALA  78           HA       ALA  78   1.384  21.625  -1.822
  591   1HB   ALA  78          1HB       ALA  78   2.112  20.342  -3.778
  592   2HB   ALA  78          2HB       ALA  78   0.388  20.122  -3.481
  593   3HB   ALA  78          3HB       ALA  78   1.529  18.858  -3.022
  594    H    ALA  79           H        ALA  79   1.070  21.317   0.638
  595    HA   ALA  79           HA       ALA  79  -0.435  18.984   1.442
  596   1HB   ALA  79          1HB       ALA  79   0.201  21.501   2.982
  597   2HB   ALA  79          2HB       ALA  79   1.165  20.024   2.978
  598   3HB   ALA  79          3HB       ALA  79  -0.465  20.010   3.651
  599    H    LYS  80           H        LYS  80  -1.919  19.768  -0.460
  600    HA   LYS  80           HA       LYS  80  -4.276  20.920   0.816
  601   1HB   LYS  80          1HB       LYS  80  -2.915  22.708  -0.485
  602   2HB   LYS  80          2HB       LYS  80  -3.461  21.868  -1.929
  603   1HG   LYS  80          1HG       LYS  80  -4.898  23.750  -1.500
  604   2HG   LYS  80          2HG       LYS  80  -5.799  22.253  -1.235
  605   1HD   LYS  80          1HD       LYS  80  -5.641  22.475   1.126
  606   2HD   LYS  80          2HD       LYS  80  -4.463  23.782   0.993
  607   1HE   LYS  80          1HE       LYS  80  -6.676  24.635   1.585
  608   2HE   LYS  80          2HE       LYS  80  -6.162  25.228   0.009
  609   1HZ   LYS  80          1HZ       LYS  80  -7.882  22.836   0.260
  610   2HZ   LYS  80          2HZ       LYS  80  -7.663  23.848  -1.083
  611   3HZ   LYS  80          3HZ       LYS  80  -8.539  24.397   0.262
  612    H    ASP  81           H        ASP  81  -4.626  18.554   0.713
  613    HA   ASP  81           HA       ASP  81  -5.087  17.415  -1.916
  614   1HB   ASP  81          1HB       ASP  81  -5.148  16.328   0.885
  615   2HB   ASP  81          2HB       ASP  81  -5.843  15.410  -0.449
  616    H    GLY  82           H        GLY  82  -6.761  19.512  -0.254
  617   1HA   GLY  82          1HA       GLY  82  -9.230  18.819  -1.519
  618   2HA   GLY  82          2HA       GLY  82  -9.304  18.675   0.235
  Start of MODEL   18
    1   1H    SER   1          1H        SER   1  -8.717  -6.493 -11.561
    2   2H    SER   1          2H        SER   1  -9.910  -5.338 -11.232
    3   3H    SER   1          3H        SER   1 -10.009  -6.884 -10.541
    4    HA   SER   1           HA       SER   1  -7.844  -4.944 -10.007
    5   1HB   SER   1          1HB       SER   1 -10.227  -5.692  -8.291
    6   2HB   SER   1          2HB       SER   1  -8.933  -4.581  -7.842
    7    HG   SER   1           HG       SER   1  -9.609  -3.163  -9.430
    8    H    GLN   2           H        GLN   2  -6.234  -5.695  -8.702
    9    HA   GLN   2           HA       GLN   2  -6.524  -8.410  -7.604
   10   1HB   GLN   2          1HB       GLN   2  -4.183  -7.334  -9.176
   11   2HB   GLN   2          2HB       GLN   2  -4.072  -8.753  -8.147
   12   1HG   GLN   2          1HG       GLN   2  -5.903  -9.773  -9.517
   13   2HG   GLN   2          2HG       GLN   2  -5.738  -8.410 -10.624
   14   1HE2  GLN   2          1HE2      GLN   2  -2.839  -8.250 -10.214
   15   2HE2  GLN   2          2HE2      GLN   2  -2.157  -9.579 -11.086
   16    H    GLU   3           H        GLU   3  -5.501  -8.779  -5.655
   17    HA   GLU   3           HA       GLU   3  -4.306  -6.397  -4.402
   18   1HB   GLU   3          1HB       GLU   3  -5.578  -8.805  -3.082
   19   2HB   GLU   3          2HB       GLU   3  -4.779  -7.499  -2.221
   20   1HG   GLU   3          1HG       GLU   3  -6.928  -6.814  -2.023
   21   2HG   GLU   3          2HG       GLU   3  -6.530  -6.035  -3.554
   22    H    TRP   4           H        TRP   4  -2.502  -6.823  -2.918
   23    HA   TRP   4           HA       TRP   4  -0.899  -9.092  -3.869
   24   1HB   TRP   4          1HB       TRP   4   0.016  -6.229  -3.537
   25   2HB   TRP   4          2HB       TRP   4   1.096  -7.590  -3.834
   26    HD1  TRP   4           HD1      TRP   4   0.873  -8.807  -6.264
   27    HE1  TRP   4           HE1      TRP   4   0.107  -7.870  -8.535
   28    HE3  TRP   4           HE3      TRP   4  -1.528  -4.593  -4.641
   29    HZ2  TRP   4           HZ2      TRP   4  -1.325  -5.641  -9.510
   30    HZ3  TRP   4           HZ3      TRP   4  -2.571  -3.116  -6.309
   31    HH2  TRP   4           HH2      TRP   4  -2.470  -3.630  -8.693
   32    H    THR   5           H        THR   5   0.519  -9.989  -2.432
   33    HA   THR   5           HA       THR   5  -0.027  -9.376   0.379
   34    HB   THR   5           HB       THR   5   1.501 -11.734  -0.747
   35    HG1  THR   5           HG1      THR   5  -0.915 -11.341  -1.307
   36   1HG2  THR   5          1HG2      THR   5   0.943 -12.768   1.409
   37   2HG2  THR   5          2HG2      THR   5   0.135 -11.285   1.910
   38   3HG2  THR   5          3HG2      THR   5   1.876 -11.289   1.630
   39    H    LEU   6           H        LEU   6   1.265  -7.766   0.992
   40    HA   LEU   6           HA       LEU   6   3.963  -7.613  -0.141
   41   1HB   LEU   6          1HB       LEU   6   2.364  -5.502   1.304
   42   2HB   LEU   6          2HB       LEU   6   3.895  -5.265   0.482
   43    HG   LEU   6           HG       LEU   6   1.306  -6.041  -0.864
   44   1HD1  LEU   6          1HD1      LEU   6   1.230  -3.759  -0.030
   45   2HD1  LEU   6          2HD1      LEU   6   1.357  -3.778  -1.791
   46   3HD1  LEU   6          3HD1      LEU   6   2.775  -3.411  -0.807
   47   1HD2  LEU   6          1HD2      LEU   6   3.229  -6.914  -2.051
   48   2HD2  LEU   6          2HD2      LEU   6   4.003  -5.331  -2.003
   49   3HD2  LEU   6          3HD2      LEU   6   2.529  -5.563  -2.941
   50    H    ASP   7           H        ASP   7   5.605  -8.235   1.056
   51    HA   ASP   7           HA       ASP   7   5.399  -8.239   3.964
   52   1HB   ASP   7          1HB       ASP   7   7.445  -9.322   2.029
   53   2HB   ASP   7          2HB       ASP   7   7.770  -9.214   3.755
   54    H    ILE   8           H        ILE   8   5.548  -6.161   4.645
   55    HA   ILE   8           HA       ILE   8   7.750  -4.522   3.618
   56    HB   ILE   8           HB       ILE   8   5.282  -3.729   5.169
   57   1HG1  ILE   8          1HG1      ILE   8   4.796  -4.356   2.858
   58   2HG1  ILE   8          2HG1      ILE   8   4.608  -2.619   3.076
   59   1HG2  ILE   8          1HG2      ILE   8   7.458  -1.987   4.020
   60   2HG2  ILE   8          2HG2      ILE   8   7.154  -2.280   5.733
   61   3HG2  ILE   8          3HG2      ILE   8   5.962  -1.413   4.763
   62   1HD1  ILE   8          1HD1      ILE   8   6.995  -3.977   1.845
   63   2HD1  ILE   8          2HD1      ILE   8   6.762  -2.238   2.024
   64   3HD1  ILE   8          3HD1      ILE   8   5.700  -3.168   0.967
   65    HA   PRO   9           HA       PRO   9   9.808  -5.464   7.475
   66   1HB   PRO   9          1HB       PRO   9  11.789  -3.512   6.505
   67   2HB   PRO   9          2HB       PRO   9  11.989  -5.228   6.875
   68   1HG   PRO   9          1HG       PRO   9  12.026  -4.333   4.349
   69   2HG   PRO   9          2HG       PRO   9  11.308  -5.899   4.770
   70   1HD   PRO   9          1HD       PRO   9   9.948  -3.276   4.244
   71   2HD   PRO   9          2HD       PRO   9   9.509  -4.903   3.676
   72    H    ALA  10           H        ALA  10  10.076  -4.517   9.414
   73    HA   ALA  10           HA       ALA  10   9.157  -1.752   9.743
   74   1HB   ALA  10          1HB       ALA  10   8.048  -3.432  11.118
   75   2HB   ALA  10          2HB       ALA  10   8.970  -2.318  12.130
   76   3HB   ALA  10          3HB       ALA  10   9.602  -3.931  11.787
   77    H    GLN  11           H        GLN  11  11.764  -2.546   8.707
   78    HA   GLN  11           HA       GLN  11  13.620  -1.592  10.755
   79   1HB   GLN  11          1HB       GLN  11  14.164  -2.549   7.930
   80   2HB   GLN  11          2HB       GLN  11  15.362  -2.254   9.181
   81   1HG   GLN  11          1HG       GLN  11  14.581  -4.117  10.461
   82   2HG   GLN  11          2HG       GLN  11  13.204  -4.339   9.386
   83   1HE2  GLN  11          1HE2      GLN  11  14.793  -3.839   6.986
   84   2HE2  GLN  11          2HE2      GLN  11  15.718  -5.275   6.732
   85    H    SER  12           H        SER  12  15.449  -0.376   8.950
   86    HA   SER  12           HA       SER  12  14.572   2.208   8.573
   87   1HB   SER  12          1HB       SER  12  16.923   1.547   8.366
   88   2HB   SER  12          2HB       SER  12  16.556   0.636   6.903
   89    HG   SER  12           HG       SER  12  17.377   2.612   6.303
   90    H    MET  13           H        MET  13  13.284   3.200   7.190
   91    HA   MET  13           HA       MET  13  11.412   1.947   5.618
   92   1HB   MET  13          1HB       MET  13  11.156   4.240   6.374
   93   2HB   MET  13          2HB       MET  13  12.496   4.758   5.357
   94   1HG   MET  13          1HG       MET  13  11.237   4.277   3.369
   95   2HG   MET  13          2HG       MET  13   9.920   3.595   4.319
   96   1HE   MET  13          1HE       MET  13   8.275   4.976   5.796
   97   2HE   MET  13          2HE       MET  13   8.416   6.709   6.091
   98   3HE   MET  13          3HE       MET  13   9.625   5.601   6.747
   99    H    ASN  14           H        ASN  14  14.657   2.850   4.757
  100    HA   ASN  14           HA       ASN  14  14.546   2.732   1.983
  101   1HB   ASN  14          1HB       ASN  14  16.571   3.423   3.113
  102   2HB   ASN  14          2HB       ASN  14  16.737   1.840   3.868
  103   1HD2  ASN  14          1HD2      ASN  14  17.636   0.183   2.742
  104   2HD2  ASN  14          2HD2      ASN  14  18.329   0.362   1.163
  105    H    SER  15           H        SER  15  14.649   0.123   4.372
  106    HA   SER  15           HA       SER  15  15.038  -1.971   2.468
  107   1HB   SER  15          1HB       SER  15  15.624  -2.123   4.918
  108   2HB   SER  15          2HB       SER  15  13.894  -2.162   5.279
  109    HG   SER  15           HG       SER  15  15.509  -4.089   4.003
  110    H    ALA  16           H        ALA  16  12.292  -0.543   4.145
  111    HA   ALA  16           HA       ALA  16  10.293  -2.299   3.259
  112   1HB   ALA  16          1HB       ALA  16  10.054   0.622   3.968
  113   2HB   ALA  16          2HB       ALA  16   9.970  -0.729   5.097
  114   3HB   ALA  16          3HB       ALA  16   8.724  -0.531   3.867
  115    H    LEU  17           H        LEU  17  11.559   0.681   1.832
  116    HA   LEU  17           HA       LEU  17   9.658   0.768  -0.275
  117   1HB   LEU  17          1HB       LEU  17  12.365   2.068  -0.009
  118   2HB   LEU  17          2HB       LEU  17  11.210   2.431  -1.280
  119    HG   LEU  17           HG       LEU  17  10.771   2.876   1.674
  120   1HD1  LEU  17          1HD1      LEU  17  12.370   4.444   0.758
  121   2HD1  LEU  17          2HD1      LEU  17  10.838   5.253   1.080
  122   3HD1  LEU  17          3HD1      LEU  17  11.275   4.818  -0.572
  123   1HD2  LEU  17          1HD2      LEU  17   9.031   3.547  -0.692
  124   2HD2  LEU  17          2HD2      LEU  17   8.732   4.032   0.976
  125   3HD2  LEU  17          3HD2      LEU  17   8.699   2.326   0.534
  126    H    GLN  18           H        GLN  18  12.984  -0.481  -0.070
  127    HA   GLN  18           HA       GLN  18  13.250  -1.356  -2.707
  128   1HB   GLN  18          1HB       GLN  18  14.279  -2.640  -0.170
  129   2HB   GLN  18          2HB       GLN  18  14.795  -3.091  -1.787
  130   1HG   GLN  18          1HG       GLN  18  15.743  -0.892  -2.132
  131   2HG   GLN  18          2HG       GLN  18  15.151  -0.367  -0.555
  132   1HE2  GLN  18          1HE2      GLN  18  15.753  -2.954   0.667
  133   2HE2  GLN  18          2HE2      GLN  18  17.469  -3.005   0.879
  134    H    ALA  19           H        ALA  19  11.744  -2.903   0.077
  135    HA   ALA  19           HA       ALA  19  11.164  -5.365  -1.183
  136   1HB   ALA  19          1HB       ALA  19  11.194  -5.140   1.237
  137   2HB   ALA  19          2HB       ALA  19   9.625  -5.735   0.691
  138   3HB   ALA  19          3HB       ALA  19   9.812  -4.047   1.167
  139    H    LEU  20           H        LEU  20   9.347  -2.329  -0.864
  140    HA   LEU  20           HA       LEU  20   6.879  -3.367  -1.796
  141   1HB   LEU  20          1HB       LEU  20   7.021  -1.326  -0.466
  142   2HB   LEU  20          2HB       LEU  20   7.941  -0.541  -1.734
  143    HG   LEU  20           HG       LEU  20   5.965  -0.711  -3.231
  144   1HD1  LEU  20          1HD1      LEU  20   4.587  -1.705  -0.740
  145   2HD1  LEU  20          2HD1      LEU  20   4.888  -2.638  -2.206
  146   3HD1  LEU  20          3HD1      LEU  20   3.791  -1.258  -2.247
  147   1HD2  LEU  20          1HD2      LEU  20   6.391   1.329  -1.967
  148   2HD2  LEU  20          2HD2      LEU  20   5.485   0.683  -0.599
  149   3HD2  LEU  20          3HD2      LEU  20   4.661   1.033  -2.118
  150    H    ALA  21           H        ALA  21   9.550  -1.657  -3.353
  151    HA   ALA  21           HA       ALA  21   8.272  -1.226  -5.849
  152   1HB   ALA  21          1HB       ALA  21  10.262   0.028  -5.100
  153   2HB   ALA  21          2HB       ALA  21  10.475  -0.687  -6.697
  154   3HB   ALA  21          3HB       ALA  21  11.231  -1.434  -5.291
  155    H    LYS  22           H        LYS  22  10.432  -3.704  -4.639
  156    HA   LYS  22           HA       LYS  22  10.728  -5.265  -6.929
  157   1HB   LYS  22          1HB       LYS  22  12.111  -5.541  -4.960
  158   2HB   LYS  22          2HB       LYS  22  10.717  -6.001  -3.997
  159   1HG   LYS  22          1HG       LYS  22  10.490  -7.988  -5.576
  160   2HG   LYS  22          2HG       LYS  22  12.113  -7.572  -6.135
  161   1HD   LYS  22          1HD       LYS  22  12.213  -9.265  -4.380
  162   2HD   LYS  22          2HD       LYS  22  12.946  -7.756  -3.831
  163   1HE   LYS  22          1HE       LYS  22  10.824  -7.183  -2.701
  164   2HE   LYS  22          2HE       LYS  22  10.167  -8.743  -3.186
  165   1HZ   LYS  22          1HZ       LYS  22  10.935  -8.901  -0.957
  166   2HZ   LYS  22          2HZ       LYS  22  12.447  -8.248  -1.354
  167   3HZ   LYS  22          3HZ       LYS  22  12.013  -9.789  -1.923
  168    H    GLN  23           H        GLN  23   8.201  -5.255  -4.462
  169    HA   GLN  23           HA       GLN  23   7.106  -7.763  -5.304
  170   1HB   GLN  23          1HB       GLN  23   6.256  -5.697  -3.294
  171   2HB   GLN  23          2HB       GLN  23   5.278  -7.117  -3.641
  172   1HG   GLN  23          1HG       GLN  23   6.986  -8.584  -2.884
  173   2HG   GLN  23          2HG       GLN  23   8.155  -7.269  -2.784
  174   1HE2  GLN  23          1HE2      GLN  23   6.267  -5.410  -1.613
  175   2HE2  GLN  23          2HE2      GLN  23   6.056  -5.903   0.029
  176    H    THR  24           H        THR  24   6.299  -4.377  -5.935
  177    HA   THR  24           HA       THR  24   3.911  -5.330  -7.372
  178    HB   THR  24           HB       THR  24   3.255  -2.835  -7.254
  179    HG1  THR  24           HG1      THR  24   4.911  -1.746  -6.408
  180   1HG2  THR  24          1HG2      THR  24   3.334  -4.529  -4.754
  181   2HG2  THR  24          2HG2      THR  24   2.108  -4.605  -6.018
  182   3HG2  THR  24          3HG2      THR  24   2.265  -3.154  -5.026
  183    H    ASP  25           H        ASP  25   6.970  -4.561  -8.049
  184    HA   ASP  25           HA       ASP  25   8.138  -3.885  -9.874
  185   1HB   ASP  25          1HB       ASP  25   5.522  -4.513 -11.255
  186   2HB   ASP  25          2HB       ASP  25   7.022  -4.149 -12.101
  187    H    THR  26           H        THR  26   7.045  -1.828  -8.340
  188    HA   THR  26           HA       THR  26   6.129   0.137 -10.322
  189    HB   THR  26           HB       THR  26   5.524   1.459  -8.184
  190    HG1  THR  26           HG1      THR  26   6.480   0.285  -6.584
  191   1HG2  THR  26          1HG2      THR  26   3.869   0.438  -9.686
  192   2HG2  THR  26          2HG2      THR  26   3.374   0.318  -7.996
  193   3HG2  THR  26          3HG2      THR  26   4.039  -1.092  -8.823
  194    H    GLN  27           H        GLN  27   6.953   2.315 -10.155
  195    HA   GLN  27           HA       GLN  27   9.775   2.351  -9.377
  196   1HB   GLN  27          1HB       GLN  27   9.219   3.066 -11.669
  197   2HB   GLN  27          2HB       GLN  27   8.168   4.321 -11.024
  198   1HG   GLN  27          1HG       GLN  27  10.184   5.276  -9.877
  199   2HG   GLN  27          2HG       GLN  27  11.156   4.129 -10.797
  200   1HE2  GLN  27          1HE2      GLN  27   9.188   6.972 -10.937
  201   2HE2  GLN  27          2HE2      GLN  27   9.635   7.457 -12.532
  202    H    LEU  28           H        LEU  28  10.394   3.344  -7.574
  203    HA   LEU  28           HA       LEU  28   8.494   5.165  -6.272
  204   1HB   LEU  28          1HB       LEU  28  10.755   3.572  -5.055
  205   2HB   LEU  28          2HB       LEU  28   9.684   4.647  -4.176
  206    HG   LEU  28           HG       LEU  28   8.871   2.096  -5.573
  207   1HD1  LEU  28          1HD1      LEU  28   8.443   1.293  -3.298
  208   2HD1  LEU  28          2HD1      LEU  28   9.104   2.794  -2.652
  209   3HD1  LEU  28          3HD1      LEU  28  10.144   1.688  -3.549
  210   1HD2  LEU  28          1HD2      LEU  28   7.243   4.026  -3.924
  211   2HD2  LEU  28          2HD2      LEU  28   6.690   2.460  -4.517
  212   3HD2  LEU  28          3HD2      LEU  28   7.082   3.746  -5.659
  213    H    LEU  29           H        LEU  29   8.991   7.232  -6.463
  214    HA   LEU  29           HA       LEU  29  11.801   7.980  -6.876
  215   1HB   LEU  29          1HB       LEU  29   9.923   8.631  -8.516
  216   2HB   LEU  29          2HB       LEU  29   9.390   9.746  -7.277
  217    HG   LEU  29           HG       LEU  29  10.766  10.771  -9.096
  218   1HD1  LEU  29          1HD1      LEU  29  12.165  12.122  -7.630
  219   2HD1  LEU  29          2HD1      LEU  29  11.936  10.956  -6.327
  220   3HD1  LEU  29          3HD1      LEU  29  10.562  11.877  -6.940
  221   1HD2  LEU  29          1HD2      LEU  29  12.319   8.954  -9.475
  222   2HD2  LEU  29          2HD2      LEU  29  12.972   9.146  -7.850
  223   3HD2  LEU  29          3HD2      LEU  29  13.193  10.423  -9.042
  224    H    TYR  30           H        TYR  30  12.789   8.496  -5.058
  225    HA   TYR  30           HA       TYR  30  11.650  10.415  -3.240
  226   1HB   TYR  30          1HB       TYR  30  11.713   9.024  -1.258
  227   2HB   TYR  30          2HB       TYR  30  10.673   8.258  -2.451
  228    HD1  TYR  30           HD1      TYR  30  11.493   6.245  -3.689
  229    HD2  TYR  30           HD2      TYR  30  13.681   7.953  -0.463
  230    HE1  TYR  30           HE1      TYR  30  12.795   4.169  -3.480
  231    HE2  TYR  30           HE2      TYR  30  14.993   5.886  -0.250
  232    HH   TYR  30           HH       TYR  30  15.014   3.459  -2.596
  233    H    SER  31           H        SER  31  13.218  11.148  -1.673
  234    HA   SER  31           HA       SER  31  15.969  10.580  -2.488
  235   1HB   SER  31          1HB       SER  31  16.315  12.715  -0.984
  236   2HB   SER  31          2HB       SER  31  15.706  12.877  -2.634
  237    HG   SER  31           HG       SER  31  14.552  13.642  -0.369
  238    HA   PRO  32           HA       PRO  32  16.049   7.937   1.118
  239   1HB   PRO  32          1HB       PRO  32  18.950   7.943   0.497
  240   2HB   PRO  32          2HB       PRO  32  17.842   6.582   0.703
  241   1HG   PRO  32          1HG       PRO  32  18.707   7.284  -1.718
  242   2HG   PRO  32          2HG       PRO  32  17.037   6.739  -1.466
  243   1HD   PRO  32          1HD       PRO  32  18.096   9.510  -1.841
  244   2HD   PRO  32          2HD       PRO  32  16.606   8.777  -2.471
  245    H    GLU  33           H        GLU  33  18.074  10.769   0.647
  246    HA   GLU  33           HA       GLU  33  19.191  10.772   3.273
  247   1HB   GLU  33          1HB       GLU  33  19.816  13.124   2.756
  248   2HB   GLU  33          2HB       GLU  33  20.328  11.975   1.528
  249   1HG   GLU  33          1HG       GLU  33  17.710  13.241   1.077
  250   2HG   GLU  33          2HG       GLU  33  19.111  14.308   0.996
  251    H    ASP  34           H        ASP  34  16.106  11.586   2.051
  252    HA   ASP  34           HA       ASP  34  15.547  13.561   4.092
  253   1HB   ASP  34          1HB       ASP  34  14.036  12.472   1.763
  254   2HB   ASP  34          2HB       ASP  34  13.141  13.256   3.064
  255    H    ILE  35           H        ILE  35  15.434  10.174   3.914
  256    HA   ILE  35           HA       ILE  35  13.518  10.105   6.133
  257    HB   ILE  35           HB       ILE  35  13.471   7.670   5.863
  258   1HG1  ILE  35          1HG1      ILE  35  15.295   8.125   3.490
  259   2HG1  ILE  35          2HG1      ILE  35  15.773   7.370   5.006
  260   1HG2  ILE  35          1HG2      ILE  35  12.992   9.202   3.312
  261   2HG2  ILE  35          2HG2      ILE  35  11.864   9.011   4.654
  262   3HG2  ILE  35          3HG2      ILE  35  12.328   7.612   3.687
  263   1HD1  ILE  35          1HD1      ILE  35  15.372   5.705   3.296
  264   2HD1  ILE  35          2HD1      ILE  35  13.732   6.311   3.065
  265   3HD1  ILE  35          3HD1      ILE  35  14.187   5.555   4.591
  266    H    GLY  36           H        GLY  36  16.862   9.578   5.311
  267   1HA   GLY  36          1HA       GLY  36  18.724   9.495   6.645
  268   2HA   GLY  36          2HA       GLY  36  17.703  10.028   7.968
  269    H    GLY  37           H        GLY  37  16.580   7.183   6.530
  270   1HA   GLY  37          1HA       GLY  37  16.808   4.938   7.084
  271   2HA   GLY  37          2HA       GLY  37  18.155   5.366   8.131
  272    H    LEU  38           H        LEU  38  14.778   6.477   8.121
  273    HA   LEU  38           HA       LEU  38  14.587   5.827  10.945
  274   1HB   LEU  38          1HB       LEU  38  12.270   6.855  10.694
  275   2HB   LEU  38          2HB       LEU  38  13.645   7.922  10.510
  276    HG   LEU  38           HG       LEU  38  13.340   7.621   7.986
  277   1HD1  LEU  38          1HD1      LEU  38  11.080   7.032   7.261
  278   2HD1  LEU  38          2HD1      LEU  38  10.674   6.577   8.917
  279   3HD1  LEU  38          3HD1      LEU  38  11.901   5.672   8.029
  280   1HD2  LEU  38          1HD2      LEU  38  11.600   9.334   7.903
  281   2HD2  LEU  38          2HD2      LEU  38  12.767   9.667   9.183
  282   3HD2  LEU  38          3HD2      LEU  38  11.185   8.998   9.584
  283    H    ARG  39           H        ARG  39  12.797   4.537  11.779
  284    HA   ARG  39           HA       ARG  39  12.569   2.159  10.147
  285   1HB   ARG  39          1HB       ARG  39  11.632   1.094  12.142
  286   2HB   ARG  39          2HB       ARG  39  13.154   1.890  12.491
  287   1HG   ARG  39          1HG       ARG  39  11.814   3.828  13.370
  288   2HG   ARG  39          2HG       ARG  39  10.387   2.802  13.221
  289   1HD   ARG  39          1HD       ARG  39  11.591   1.119  14.657
  290   2HD   ARG  39          2HD       ARG  39  12.813   2.358  14.949
  291    HE   ARG  39           HE       ARG  39  10.015   2.411  15.857
  292   1HH1  ARG  39          1HH1      ARG  39  13.218   3.858  15.869
  293   2HH1  ARG  39          2HH1      ARG  39  12.895   4.836  17.275
  294   1HH2  ARG  39          1HH2      ARG  39   9.622   3.659  17.713
  295   2HH2  ARG  39          2HH2      ARG  39  10.868   4.696  18.342
  296    H    SER  40           H        SER  40  10.917   1.582   8.988
  297    HA   SER  40           HA       SER  40   8.528   3.217   8.964
  298   1HB   SER  40          1HB       SER  40   7.962   1.592   7.040
  299   2HB   SER  40          2HB       SER  40   9.318   2.695   6.808
  300    HG   SER  40           HG       SER  40   9.367  -0.074   7.394
  301    H    SER  41           H        SER  41   6.383   2.206   8.946
  302    HA   SER  41           HA       SER  41   6.194   0.224  11.061
  303   1HB   SER  41          1HB       SER  41   3.999   1.761   9.649
  304   2HB   SER  41          2HB       SER  41   3.841   0.841  11.148
  305    HG   SER  41           HG       SER  41   5.851   2.580  11.431
  306    H    ALA  42           H        ALA  42   6.119  -1.844  10.563
  307    HA   ALA  42           HA       ALA  42   6.059  -2.835   7.959
  308   1HB   ALA  42          1HB       ALA  42   5.969  -5.035   8.954
  309   2HB   ALA  42          2HB       ALA  42   5.479  -4.342  10.500
  310   3HB   ALA  42          3HB       ALA  42   7.085  -4.006   9.854
  311    H    LEU  43           H        LEU  43   4.393  -2.722   6.626
  312    HA   LEU  43           HA       LEU  43   1.736  -3.475   7.637
  313   1HB   LEU  43          1HB       LEU  43   1.903  -1.238   6.576
  314   2HB   LEU  43          2HB       LEU  43   2.467  -1.995   5.101
  315    HG   LEU  43           HG       LEU  43   0.287  -3.189   4.928
  316   1HD1  LEU  43          1HD1      LEU  43  -0.480  -1.410   7.239
  317   2HD1  LEU  43          2HD1      LEU  43  -0.331  -3.167   7.281
  318   3HD1  LEU  43          3HD1      LEU  43  -1.584  -2.414   6.297
  319   1HD2  LEU  43          1HD2      LEU  43  -0.987  -1.251   4.191
  320   2HD2  LEU  43          2HD2      LEU  43   0.704  -1.109   3.707
  321   3HD2  LEU  43          3HD2      LEU  43   0.098  -0.182   5.080
  322    H    LYS  44           H        LYS  44   2.265  -5.699   7.571
  323    HA   LYS  44           HA       LYS  44   2.759  -6.831   4.911
  324   1HB   LYS  44          1HB       LYS  44   4.262  -7.463   6.828
  325   2HB   LYS  44          2HB       LYS  44   2.881  -8.234   7.590
  326   1HG   LYS  44          1HG       LYS  44   3.736  -9.025   4.832
  327   2HG   LYS  44          2HG       LYS  44   4.559  -9.670   6.250
  328   1HD   LYS  44          1HD       LYS  44   2.393 -10.510   7.087
  329   2HD   LYS  44          2HD       LYS  44   1.612  -9.905   5.627
  330   1HE   LYS  44          1HE       LYS  44   2.084 -12.315   5.510
  331   2HE   LYS  44          2HE       LYS  44   2.932 -11.405   4.260
  332   1HZ   LYS  44          1HZ       LYS  44   4.260 -12.048   6.815
  333   2HZ   LYS  44          2HZ       LYS  44   4.959 -11.692   5.305
  334   3HZ   LYS  44          3HZ       LYS  44   4.202 -13.186   5.564
  335    H    GLY  45           H        GLY  45   1.033  -7.416   3.827
  336   1HA   GLY  45          1HA       GLY  45  -0.796  -9.312   4.689
  337   2HA   GLY  45          2HA       GLY  45  -1.526  -7.743   4.994
  338    H    ARG  46           H        ARG  46  -3.139  -8.512   3.497
  339    HA   ARG  46           HA       ARG  46  -2.321  -8.547   0.681
  340   1HB   ARG  46          1HB       ARG  46  -3.713 -10.407   1.365
  341   2HB   ARG  46          2HB       ARG  46  -4.904  -9.317   2.056
  342   1HG   ARG  46          1HG       ARG  46  -5.444  -8.483  -0.167
  343   2HG   ARG  46          2HG       ARG  46  -4.218  -9.543  -0.866
  344   1HD   ARG  46          1HD       ARG  46  -5.414 -11.488  -0.189
  345   2HD   ARG  46          2HD       ARG  46  -6.543 -10.530   0.767
  346    HE   ARG  46           HE       ARG  46  -7.128  -9.522  -1.530
  347   1HH1  ARG  46          1HH1      ARG  46  -6.166 -12.859  -1.010
  348   2HH1  ARG  46          2HH1      ARG  46  -7.134 -13.461  -2.330
  349   1HH2  ARG  46          1HH2      ARG  46  -8.366 -10.301  -3.244
  350   2HH2  ARG  46          2HH2      ARG  46  -8.373 -12.005  -3.611
  351    H    HIS  47           H        HIS  47  -2.182  -6.537  -0.104
  352    HA   HIS  47           HA       HIS  47  -4.493  -4.761   0.247
  353   1HB   HIS  47          1HB       HIS  47  -1.612  -4.042   0.793
  354   2HB   HIS  47          2HB       HIS  47  -2.827  -2.827   0.424
  355    HD1  HIS  47           HD1      HIS  47  -4.538  -2.253   2.249
  356    HD2  HIS  47           HD2      HIS  47  -1.838  -5.231   3.342
  357    HE1  HIS  47           HE1      HIS  47  -4.803  -2.536   4.736
  358    HE2  HIS  47           HE2      HIS  47  -3.168  -4.341   5.383
  359    H    ASP  48           H        ASP  48  -5.003  -3.564  -1.524
  360    HA   ASP  48           HA       ASP  48  -3.629  -3.937  -4.009
  361   1HB   ASP  48          1HB       ASP  48  -6.014  -3.495  -4.010
  362   2HB   ASP  48          2HB       ASP  48  -5.780  -1.984  -3.140
  363    H    LEU  49           H        LEU  49  -2.722  -2.003  -5.253
  364    HA   LEU  49           HA       LEU  49  -0.518  -1.024  -3.865
  365   1HB   LEU  49          1HB       LEU  49  -0.682  -1.245  -6.332
  366   2HB   LEU  49          2HB       LEU  49  -1.766   0.133  -6.361
  367    HG   LEU  49           HG       LEU  49   0.047   1.561  -5.469
  368   1HD1  LEU  49          1HD1      LEU  49   1.299  -0.184  -4.287
  369   2HD1  LEU  49          2HD1      LEU  49   2.329   0.713  -5.402
  370   3HD1  LEU  49          3HD1      LEU  49   1.759  -0.898  -5.834
  371   1HD2  LEU  49          1HD2      LEU  49   1.380   1.606  -7.522
  372   2HD2  LEU  49          2HD2      LEU  49  -0.339   1.420  -7.868
  373   3HD2  LEU  49          3HD2      LEU  49   0.737   0.026  -7.972
  374    H    GLN  50           H        GLN  50  -3.485   0.701  -4.840
  375    HA   GLN  50           HA       GLN  50  -2.863   3.171  -3.682
  376   1HB   GLN  50          1HB       GLN  50  -5.517   1.852  -4.237
  377   2HB   GLN  50          2HB       GLN  50  -5.367   3.512  -3.683
  378   1HG   GLN  50          1HG       GLN  50  -4.134   4.099  -5.680
  379   2HG   GLN  50          2HG       GLN  50  -4.170   2.421  -6.218
  380   1HE2  GLN  50          1HE2      GLN  50  -6.890   1.980  -5.329
  381   2HE2  GLN  50          2HE2      GLN  50  -7.912   2.802  -6.457
  382    H    SER  51           H        SER  51  -4.394   0.311  -2.336
  383    HA   SER  51           HA       SER  51  -5.229   1.413   0.112
  384   1HB   SER  51          1HB       SER  51  -6.052  -0.752  -0.677
  385   2HB   SER  51          2HB       SER  51  -4.427  -1.430  -0.579
  386    HG   SER  51           HG       SER  51  -6.193  -0.690   1.498
  387    H    SER  52           H        SER  52  -2.292  -0.373  -0.764
  388    HA   SER  52           HA       SER  52  -1.126  -0.357   1.788
  389   1HB   SER  52          1HB       SER  52  -0.474  -1.845  -0.126
  390   2HB   SER  52          2HB       SER  52   0.321  -0.457  -0.867
  391    HG   SER  52           HG       SER  52   1.960  -1.141   0.268
  392    H    LEU  53           H        LEU  53  -0.631   1.816  -0.999
  393    HA   LEU  53           HA       LEU  53   1.483   3.281   0.095
  394   1HB   LEU  53          1HB       LEU  53  -0.586   4.077  -1.947
  395   2HB   LEU  53          2HB       LEU  53   0.846   5.021  -1.587
  396    HG   LEU  53           HG       LEU  53   0.831   2.217  -2.710
  397   1HD1  LEU  53          1HD1      LEU  53   1.625   3.257  -4.758
  398   2HD1  LEU  53          2HD1      LEU  53   1.500   4.851  -4.012
  399   3HD1  LEU  53          3HD1      LEU  53   0.043   3.898  -4.304
  400   1HD2  LEU  53          1HD2      LEU  53   2.784   2.638  -1.308
  401   2HD2  LEU  53          2HD2      LEU  53   3.113   4.121  -2.200
  402   3HD2  LEU  53          3HD2      LEU  53   3.234   2.560  -3.012
  403    H    ARG  54           H        ARG  54  -2.007   3.764   0.365
  404    HA   ARG  54           HA       ARG  54  -1.769   6.373   1.495
  405   1HB   ARG  54          1HB       ARG  54  -3.807   5.601   0.322
  406   2HB   ARG  54          2HB       ARG  54  -4.110   4.466   1.631
  407   1HG   ARG  54          1HG       ARG  54  -4.389   6.286   3.195
  408   2HG   ARG  54          2HG       ARG  54  -3.983   7.458   1.939
  409   1HD   ARG  54          1HD       ARG  54  -5.950   6.687   0.651
  410   2HD   ARG  54          2HD       ARG  54  -6.373   5.620   1.991
  411    HE   ARG  54           HE       ARG  54  -6.233   7.999   3.215
  412   1HH1  ARG  54          1HH1      ARG  54  -7.828   7.006   0.263
  413   2HH1  ARG  54          2HH1      ARG  54  -9.079   8.204   0.378
  414   1HH2  ARG  54          1HH2      ARG  54  -7.888   9.575   3.386
  415   2HH2  ARG  54          2HH2      ARG  54  -9.137   9.636   2.174
  416    H    ILE  55           H        ILE  55  -2.366   3.152   2.859
  417    HA   ILE  55           HA       ILE  55  -2.682   4.022   5.534
  418    HB   ILE  55           HB       ILE  55  -1.847   1.303   4.507
  419   1HG1  ILE  55          1HG1      ILE  55  -4.001   2.010   3.592
  420   2HG1  ILE  55          2HG1      ILE  55  -4.226   0.720   4.766
  421   1HG2  ILE  55          1HG2      ILE  55  -2.674   0.453   6.655
  422   2HG2  ILE  55          2HG2      ILE  55  -2.952   2.110   7.195
  423   3HG2  ILE  55          3HG2      ILE  55  -1.311   1.555   6.861
  424   1HD1  ILE  55          1HD1      ILE  55  -4.681   3.652   5.261
  425   2HD1  ILE  55          2HD1      ILE  55  -4.912   2.359   6.436
  426   3HD1  ILE  55          3HD1      ILE  55  -5.927   2.433   4.997
  427    H    LEU  56           H        LEU  56   0.102   2.994   3.649
  428    HA   LEU  56           HA       LEU  56   1.916   2.865   5.842
  429   1HB   LEU  56          1HB       LEU  56   2.230   1.668   3.692
  430   2HB   LEU  56          2HB       LEU  56   2.494   3.207   2.899
  431    HG   LEU  56           HG       LEU  56   4.501   3.565   4.317
  432   1HD1  LEU  56          1HD1      LEU  56   3.858   2.181   6.219
  433   2HD1  LEU  56          2HD1      LEU  56   5.419   1.679   5.569
  434   3HD1  LEU  56          3HD1      LEU  56   3.971   0.734   5.217
  435   1HD2  LEU  56          1HD2      LEU  56   4.464   1.013   2.708
  436   2HD2  LEU  56          2HD2      LEU  56   5.909   1.906   3.179
  437   3HD2  LEU  56          3HD2      LEU  56   4.738   2.641   2.085
  438    H    LEU  57           H        LEU  57   0.829   5.401   3.712
  439    HA   LEU  57           HA       LEU  57   2.961   7.219   4.201
  440   1HB   LEU  57          1HB       LEU  57   1.425   7.341   2.248
  441   2HB   LEU  57          2HB       LEU  57   0.136   7.829   3.335
  442    HG   LEU  57           HG       LEU  57   1.757   9.753   3.995
  443   1HD1  LEU  57          1HD1      LEU  57   3.694   8.855   2.804
  444   2HD1  LEU  57          2HD1      LEU  57   3.243  10.454   2.207
  445   3HD1  LEU  57          3HD1      LEU  57   2.827   9.015   1.278
  446   1HD2  LEU  57          1HD2      LEU  57   0.391   9.724   1.308
  447   2HD2  LEU  57          2HD2      LEU  57   0.822  11.153   2.248
  448   3HD2  LEU  57          3HD2      LEU  57  -0.391  10.031   2.858
  449    H    GLN  58           H        GLN  58  -0.273   6.817   5.538
  450    HA   GLN  58           HA       GLN  58  -0.572   9.012   7.120
  451   1HB   GLN  58          1HB       GLN  58  -1.343   6.162   7.749
  452   2HB   GLN  58          2HB       GLN  58  -1.955   7.570   8.606
  453   1HG   GLN  58          1HG       GLN  58  -3.043   8.381   6.650
  454   2HG   GLN  58          2HG       GLN  58  -2.273   7.155   5.647
  455   1HE2  GLN  58          1HE2      GLN  58  -3.515   6.437   8.819
  456   2HE2  GLN  58          2HE2      GLN  58  -4.850   5.479   8.291
  457    H    GLY  59           H        GLY  59   0.953   9.905   8.375
  458   1HA   GLY  59          1HA       GLY  59   1.693   9.761  10.739
  459   2HA   GLY  59          2HA       GLY  59   2.278   8.152  10.348
  460    H    THR  60           H        THR  60   3.159   9.342   7.644
  461    HA   THR  60           HA       THR  60   5.813  10.005   8.639
  462    HB   THR  60           HB       THR  60   6.535   9.736   6.293
  463    HG1  THR  60           HG1      THR  60   3.893   8.878   5.704
  464   1HG2  THR  60          1HG2      THR  60   6.058   7.331   6.099
  465   2HG2  THR  60          2HG2      THR  60   4.798   7.486   7.324
  466   3HG2  THR  60          3HG2      THR  60   6.487   7.775   7.752
  467    H    GLY  61           H        GLY  61   3.137  11.793   7.733
  468   1HA   GLY  61          1HA       GLY  61   2.815  13.994   7.197
  469   2HA   GLY  61          2HA       GLY  61   4.474  14.255   7.710
  470    H    LEU  62           H        LEU  62   4.016  12.003   5.166
  471    HA   LEU  62           HA       LEU  62   5.154  13.960   3.296
  472   1HB   LEU  62          1HB       LEU  62   5.241  10.941   3.233
  473   2HB   LEU  62          2HB       LEU  62   5.990  12.003   2.056
  474    HG   LEU  62           HG       LEU  62   6.739  11.876   4.984
  475   1HD1  LEU  62          1HD1      LEU  62   7.363   9.834   3.801
  476   2HD1  LEU  62          2HD1      LEU  62   8.784  10.794   4.204
  477   3HD1  LEU  62          3HD1      LEU  62   8.163  10.790   2.556
  478   1HD2  LEU  62          1HD2      LEU  62   7.107  14.075   3.995
  479   2HD2  LEU  62          2HD2      LEU  62   8.000  13.339   2.664
  480   3HD2  LEU  62          3HD2      LEU  62   8.640  13.263   4.306
  481    H    ARG  63           H        ARG  63   4.628  13.386   0.933
  482    HA   ARG  63           HA       ARG  63   1.768  12.692   0.688
  483   1HB   ARG  63          1HB       ARG  63   2.099  15.042   0.176
  484   2HB   ARG  63          2HB       ARG  63   3.422  14.656  -0.916
  485   1HG   ARG  63          1HG       ARG  63   1.747  13.361  -2.292
  486   2HG   ARG  63          2HG       ARG  63   0.495  14.088  -1.288
  487   1HD   ARG  63          1HD       ARG  63   1.150  16.300  -1.989
  488   2HD   ARG  63          2HD       ARG  63   2.531  15.650  -2.872
  489    HE   ARG  63           HE       ARG  63  -0.006  14.582  -3.731
  490   1HH1  ARG  63          1HH1      ARG  63   2.296  17.193  -4.131
  491   2HH1  ARG  63          2HH1      ARG  63   1.796  17.566  -5.749
  492   1HH2  ARG  63          1HH2      ARG  63  -0.677  15.073  -5.868
  493   2HH2  ARG  63          2HH2      ARG  63   0.076  16.388  -6.718
  494    H    TYR  64           H        TYR  64   1.298  11.017  -0.611
  495    HA   TYR  64           HA       TYR  64   3.438   9.964  -2.310
  496   1HB   TYR  64          1HB       TYR  64   2.314   7.861  -2.326
  497   2HB   TYR  64          2HB       TYR  64   2.287   8.427  -0.663
  498    HD1  TYR  64           HD1      TYR  64   0.100   9.585   0.127
  499    HD2  TYR  64           HD2      TYR  64   0.350   7.176  -3.369
  500    HE1  TYR  64           HE1      TYR  64  -2.336   9.265   0.183
  501    HE2  TYR  64           HE2      TYR  64  -2.087   6.852  -3.325
  502    HH   TYR  64           HH       TYR  64  -3.929   6.947  -1.749
  503    H    GLN  65           H        GLN  65   3.441  10.573  -4.345
  504    HA   GLN  65           HA       GLN  65   0.885  11.195  -5.647
  505   1HB   GLN  65          1HB       GLN  65   2.958  12.726  -5.751
  506   2HB   GLN  65          2HB       GLN  65   3.629  11.534  -6.854
  507   1HG   GLN  65          1HG       GLN  65   0.970  12.830  -7.346
  508   2HG   GLN  65          2HG       GLN  65   2.481  13.574  -7.854
  509   1HE2  GLN  65          1HE2      GLN  65   3.775  11.071  -8.525
  510   2HE2  GLN  65          2HE2      GLN  65   3.032  10.512  -9.982
  511    H    ILE  66           H        ILE  66  -0.081   9.480  -6.500
  512    HA   ILE  66           HA       ILE  66   1.590   7.375  -7.682
  513    HB   ILE  66           HB       ILE  66   0.222   6.459  -5.952
  514   1HG1  ILE  66          1HG1      ILE  66  -1.029   5.812  -8.632
  515   2HG1  ILE  66          2HG1      ILE  66   0.454   5.107  -7.998
  516   1HG2  ILE  66          1HG2      ILE  66  -2.155   7.710  -7.317
  517   2HG2  ILE  66          2HG2      ILE  66  -1.441   8.216  -5.785
  518   3HG2  ILE  66          3HG2      ILE  66  -2.215   6.636  -5.919
  519   1HD1  ILE  66          1HD1      ILE  66  -1.417   3.591  -7.739
  520   2HD1  ILE  66          2HD1      ILE  66  -2.295   4.806  -6.809
  521   3HD1  ILE  66          3HD1      ILE  66  -0.808   4.105  -6.165
  522    H    ASP  67           H        ASP  67   1.794   7.494  -9.775
  523    HA   ASP  67           HA       ASP  67  -0.539   8.250 -11.402
  524   1HB   ASP  67          1HB       ASP  67   1.081  10.164 -11.150
  525   2HB   ASP  67          2HB       ASP  67   2.292   9.172 -11.952
  526    H    GLY  68           H        GLY  68  -0.997   6.293 -12.249
  527   1HA   GLY  68          1HA       GLY  68  -0.778   4.400 -13.527
  528   2HA   GLY  68          2HA       GLY  68   0.652   5.146 -14.225
  529    H    ASN  69           H        ASN  69   2.581   4.317 -13.759
  530    HA   ASN  69           HA       ASN  69   2.733   2.295 -11.614
  531   1HB   ASN  69          1HB       ASN  69   4.531   1.239 -12.858
  532   2HB   ASN  69          2HB       ASN  69   3.136   1.430 -13.915
  533   1HD2  ASN  69          1HD2      ASN  69   6.426   2.256 -13.357
  534   2HD2  ASN  69          2HD2      ASN  69   6.653   3.176 -14.807
  535    H    THR  70           H        THR  70   3.257   5.361 -11.966
  536    HA   THR  70           HA       THR  70   5.993   5.429 -10.904
  537    HB   THR  70           HB       THR  70   4.364   7.772 -11.893
  538    HG1  THR  70           HG1      THR  70   4.551   6.674 -13.736
  539   1HG2  THR  70          1HG2      THR  70   6.297   8.347 -10.522
  540   2HG2  THR  70          2HG2      THR  70   6.578   8.805 -12.203
  541   3HG2  THR  70          3HG2      THR  70   7.337   7.352 -11.543
  542    H    VAL  71           H        VAL  71   6.197   5.688  -8.772
  543    HA   VAL  71           HA       VAL  71   4.051   7.094  -7.318
  544    HB   VAL  71           HB       VAL  71   5.924   4.991  -6.211
  545   1HG1  VAL  71          1HG1      VAL  71   4.476   5.061  -4.236
  546   2HG1  VAL  71          2HG1      VAL  71   3.542   6.364  -4.970
  547   3HG1  VAL  71          3HG1      VAL  71   5.233   6.623  -4.544
  548   1HG2  VAL  71          1HG2      VAL  71   2.989   4.758  -6.872
  549   2HG2  VAL  71          2HG2      VAL  71   3.992   3.512  -6.128
  550   3HG2  VAL  71          3HG2      VAL  71   4.309   4.027  -7.785
  551    H    THR  72           H        THR  72   4.648   8.968  -6.441
  552    HA   THR  72           HA       THR  72   7.536   9.494  -6.150
  553    HB   THR  72           HB       THR  72   5.413  11.597  -6.584
  554    HG1  THR  72           HG1      THR  72   6.501   9.802  -8.362
  555   1HG2  THR  72          1HG2      THR  72   8.400  11.587  -7.038
  556   2HG2  THR  72          2HG2      THR  72   7.566  12.365  -5.691
  557   3HG2  THR  72          3HG2      THR  72   7.311  12.942  -7.338
  558    H    VAL  73           H        VAL  73   8.242   9.942  -4.162
  559    HA   VAL  73           HA       VAL  73   6.274  10.461  -2.048
  560    HB   VAL  73           HB       VAL  73   9.212   9.790  -1.779
  561   1HG1  VAL  73          1HG1      VAL  73   6.997   9.848   0.267
  562   2HG1  VAL  73          2HG1      VAL  73   8.327  10.997   0.136
  563   3HG1  VAL  73          3HG1      VAL  73   8.653   9.318   0.561
  564   1HG2  VAL  73          1HG2      VAL  73   8.452   7.542  -1.134
  565   2HG2  VAL  73          2HG2      VAL  73   8.017   7.935  -2.797
  566   3HG2  VAL  73          3HG2      VAL  73   6.795   8.000  -1.526
  567    H    THR  74           H        THR  74   5.862  12.563  -1.846
  568    HA   THR  74           HA       THR  74   8.078  14.487  -2.137
  569    HB   THR  74           HB       THR  74   5.104  14.983  -2.432
  570    HG1  THR  74           HG1      THR  74   7.108  14.668  -4.445
  571   1HG2  THR  74          1HG2      THR  74   7.476  16.691  -3.193
  572   2HG2  THR  74          2HG2      THR  74   6.420  16.967  -1.809
  573   3HG2  THR  74          3HG2      THR  74   5.780  17.094  -3.447
  574    H    ALA  75           H        ALA  75   8.449  15.965  -0.476
  575    HA   ALA  75           HA       ALA  75   7.255  15.374   2.065
  576   1HB   ALA  75          1HB       ALA  75   9.203  17.543   1.303
  577   2HB   ALA  75          2HB       ALA  75   9.625  15.938   1.903
  578   3HB   ALA  75          3HB       ALA  75   8.769  17.075   2.947
  579    H    SER  76           H        SER  76   5.505  16.314   2.919
  580    HA   SER  76           HA       SER  76   4.179  18.426   1.475
  581   1HB   SER  76          1HB       SER  76   3.417  17.069   4.071
  582   2HB   SER  76          2HB       SER  76   2.370  18.100   3.090
  583    HG   SER  76           HG       SER  76   2.469  15.583   2.880
  584    H    ALA  77           H        ALA  77   4.376  20.521   1.867
  585    HA   ALA  77           HA       ALA  77   5.885  21.395   4.199
  586   1HB   ALA  77          1HB       ALA  77   4.903  22.988   1.835
  587   2HB   ALA  77          2HB       ALA  77   6.497  22.248   1.977
  588   3HB   ALA  77          3HB       ALA  77   6.024  23.541   3.078
  589    H    ALA  78           H        ALA  78   5.149  22.851   5.707
  590    HA   ALA  78           HA       ALA  78   2.234  23.178   5.853
  591   1HB   ALA  78          1HB       ALA  78   3.285  22.132   7.792
  592   2HB   ALA  78          2HB       ALA  78   2.589  23.696   8.217
  593   3HB   ALA  78          3HB       ALA  78   4.332  23.537   7.992
  594    H    ALA  79           H        ALA  79   1.404  25.263   6.616
  595    HA   ALA  79           HA       ALA  79   1.084  27.487   6.225
  596   1HB   ALA  79          1HB       ALA  79   4.050  27.672   6.750
  597   2HB   ALA  79          2HB       ALA  79   2.793  27.668   7.986
  598   3HB   ALA  79          3HB       ALA  79   2.893  28.998   6.832
  599    H    LYS  80           H        LYS  80   1.400  25.909   3.966
  600    HA   LYS  80           HA       LYS  80   3.185  27.301   2.131
  601   1HB   LYS  80          1HB       LYS  80   2.496  25.577   0.510
  602   2HB   LYS  80          2HB       LYS  80   3.097  24.864   2.001
  603   1HG   LYS  80          1HG       LYS  80   0.955  24.225   2.694
  604   2HG   LYS  80          2HG       LYS  80   0.169  25.296   1.535
  605   1HD   LYS  80          1HD       LYS  80   1.060  23.907  -0.302
  606   2HD   LYS  80          2HD       LYS  80   1.745  22.804   0.894
  607   1HE   LYS  80          1HE       LYS  80  -0.394  22.164   1.667
  608   2HE   LYS  80          2HE       LYS  80  -1.182  23.494   0.820
  609   1HZ   LYS  80          1HZ       LYS  80  -1.523  21.405  -0.325
  610   2HZ   LYS  80          2HZ       LYS  80   0.149  21.166  -0.461
  611   3HZ   LYS  80          3HZ       LYS  80  -0.594  22.453  -1.282
  612    H    ASP  81           H        ASP  81  -0.018  27.440   3.173
  613    HA   ASP  81           HA       ASP  81  -0.767  29.180   0.939
  614   1HB   ASP  81          1HB       ASP  81  -1.606  26.908   0.399
  615   2HB   ASP  81          2HB       ASP  81  -2.482  26.886   1.926
  616    H    GLY  82           H        GLY  82  -1.320  27.960   4.166
  617   1HA   GLY  82          1HA       GLY  82  -1.597  30.376   5.409
  618   2HA   GLY  82          2HA       GLY  82  -3.229  29.963   4.893
  Start of MODEL   19
    1   1H    SER   1          1H        SER   1  -9.836  -1.892  -8.486
    2   2H    SER   1          2H        SER   1 -10.156  -3.512  -8.102
    3   3H    SER   1          3H        SER   1  -9.025  -3.132  -9.306
    4    HA   SER   1           HA       SER   1  -7.518  -2.224  -7.762
    5   1HB   SER   1          1HB       SER   1  -9.659  -2.762  -5.683
    6   2HB   SER   1          2HB       SER   1  -8.051  -2.110  -5.366
    7    HG   SER   1           HG       SER   1  -8.726  -0.205  -5.947
    8    H    GLN   2           H        GLN   2  -6.394  -4.030  -8.450
    9    HA   GLN   2           HA       GLN   2  -6.977  -6.639  -7.391
   10   1HB   GLN   2          1HB       GLN   2  -4.641  -5.580  -8.991
   11   2HB   GLN   2          2HB       GLN   2  -4.772  -7.252  -8.463
   12   1HG   GLN   2          1HG       GLN   2  -5.485  -7.178 -10.713
   13   2HG   GLN   2          2HG       GLN   2  -6.926  -7.391  -9.725
   14   1HE2  GLN   2          1HE2      GLN   2  -5.106  -5.185 -11.695
   15   2HE2  GLN   2          2HE2      GLN   2  -6.379  -4.044 -11.960
   16    H    GLU   3           H        GLU   3  -5.740  -7.783  -5.861
   17    HA   GLU   3           HA       GLU   3  -4.276  -5.976  -4.059
   18   1HB   GLU   3          1HB       GLU   3  -5.768  -8.519  -3.408
   19   2HB   GLU   3          2HB       GLU   3  -4.882  -7.536  -2.250
   20   1HG   GLU   3          1HG       GLU   3  -6.413  -5.654  -2.764
   21   2HG   GLU   3          2HG       GLU   3  -7.347  -6.754  -3.781
   22    H    TRP   4           H        TRP   4  -2.527  -6.853  -2.872
   23    HA   TRP   4           HA       TRP   4  -1.361  -9.331  -3.896
   24   1HB   TRP   4          1HB       TRP   4   0.065  -6.666  -3.694
   25   2HB   TRP   4          2HB       TRP   4   0.912  -8.204  -3.821
   26    HD1  TRP   4           HD1      TRP   4   0.593  -9.573  -6.168
   27    HE1  TRP   4           HE1      TRP   4   0.127  -8.715  -8.549
   28    HE3  TRP   4           HE3      TRP   4  -1.089  -4.882  -5.016
   29    HZ2  TRP   4           HZ2      TRP   4  -0.814  -6.350  -9.774
   30    HZ3  TRP   4           HZ3      TRP   4  -1.747  -3.385  -6.855
   31    HH2  TRP   4           HH2      TRP   4  -1.612  -4.103  -9.184
   32    H    THR   5           H        THR   5   0.146 -10.301  -2.393
   33    HA   THR   5           HA       THR   5  -0.462  -9.519   0.366
   34    HB   THR   5           HB       THR   5   1.035 -12.000  -0.486
   35    HG1  THR   5           HG1      THR   5  -0.931 -12.136  -1.535
   36   1HG2  THR   5          1HG2      THR   5   0.208 -12.873   1.647
   37   2HG2  THR   5          2HG2      THR   5  -0.637 -11.354   1.949
   38   3HG2  THR   5          3HG2      THR   5   1.126 -11.386   1.894
   39    H    LEU   6           H        LEU   6   0.879  -7.943   0.946
   40    HA   LEU   6           HA       LEU   6   3.572  -7.878  -0.179
   41   1HB   LEU   6          1HB       LEU   6   2.021  -5.747   1.294
   42   2HB   LEU   6          2HB       LEU   6   3.572  -5.528   0.504
   43    HG   LEU   6           HG       LEU   6   1.019  -6.275  -0.927
   44   1HD1  LEU   6          1HD1      LEU   6   0.856  -4.033  -0.012
   45   2HD1  LEU   6          2HD1      LEU   6   1.051  -3.969  -1.764
   46   3HD1  LEU   6          3HD1      LEU   6   2.420  -3.613  -0.709
   47   1HD2  LEU   6          1HD2      LEU   6   2.295  -5.743  -2.945
   48   2HD2  LEU   6          2HD2      LEU   6   3.044  -7.059  -2.042
   49   3HD2  LEU   6          3HD2      LEU   6   3.725  -5.433  -1.962
   50    H    ASP   7           H        ASP   7   5.176  -8.624   0.981
   51    HA   ASP   7           HA       ASP   7   4.984  -8.638   3.899
   52   1HB   ASP   7          1HB       ASP   7   5.787 -10.666   2.590
   53   2HB   ASP   7          2HB       ASP   7   7.227  -9.732   2.192
   54    H    ILE   8           H        ILE   8   5.375  -6.603   4.607
   55    HA   ILE   8           HA       ILE   8   7.641  -5.139   3.449
   56    HB   ILE   8           HB       ILE   8   5.273  -4.106   5.025
   57   1HG1  ILE   8          1HG1      ILE   8   4.665  -4.837   2.772
   58   2HG1  ILE   8          2HG1      ILE   8   4.590  -3.084   2.893
   59   1HG2  ILE   8          1HG2      ILE   8   7.270  -2.759   5.419
   60   2HG2  ILE   8          2HG2      ILE   8   6.084  -1.873   4.464
   61   3HG2  ILE   8          3HG2      ILE   8   7.498  -2.577   3.679
   62   1HD1  ILE   8          1HD1      ILE   8   5.564  -3.731   0.791
   63   2HD1  ILE   8          2HD1      ILE   8   6.783  -4.700   1.618
   64   3HD1  ILE   8          3HD1      ILE   8   6.786  -2.945   1.793
   65    HA   PRO   9           HA       PRO   9   9.835  -5.780   7.298
   66   1HB   PRO   9          1HB       PRO   9  11.568  -3.645   6.219
   67   2HB   PRO   9          2HB       PRO   9  11.977  -5.302   6.680
   68   1HG   PRO   9          1HG       PRO   9  11.894  -4.557   4.117
   69   2HG   PRO   9          2HG       PRO   9  11.347  -6.166   4.629
   70   1HD   PRO   9          1HD       PRO   9   9.726  -3.735   3.961
   71   2HD   PRO   9          2HD       PRO   9   9.448  -5.431   3.511
   72    H    ALA  10           H        ALA  10  10.299  -4.621   9.178
   73    HA   ALA  10           HA       ALA  10   8.883  -2.042   9.407
   74   1HB   ALA  10          1HB       ALA  10   8.000  -3.810  10.836
   75   2HB   ALA  10          2HB       ALA  10   8.739  -2.536  11.808
   76   3HB   ALA  10          3HB       ALA  10   9.598  -4.054  11.544
   77    H    GLN  11           H        GLN  11  11.503  -2.360   8.341
   78    HA   GLN  11           HA       GLN  11  13.275  -1.309  10.426
   79   1HB   GLN  11          1HB       GLN  11  13.903  -2.343   7.649
   80   2HB   GLN  11          2HB       GLN  11  15.090  -1.825   8.837
   81   1HG   GLN  11          1HG       GLN  11  14.575  -3.659  10.267
   82   2HG   GLN  11          2HG       GLN  11  13.175  -4.099   9.294
   83   1HE2  GLN  11          1HE2      GLN  11  14.610  -3.622   6.782
   84   2HE2  GLN  11          2HE2      GLN  11  15.653  -4.988   6.576
   85    H    SER  12           H        SER  12  15.074   0.035   8.778
   86    HA   SER  12           HA       SER  12  13.944   2.550   8.374
   87   1HB   SER  12          1HB       SER  12  16.351   1.385   6.944
   88   2HB   SER  12          2HB       SER  12  16.005   3.096   7.206
   89    HG   SER  12           HG       SER  12  16.022   2.452   9.553
   90    H    MET  13           H        MET  13  13.112   3.584   6.643
   91    HA   MET  13           HA       MET  13  11.451   2.359   4.865
   92   1HB   MET  13          1HB       MET  13  12.760   5.032   4.917
   93   2HB   MET  13          2HB       MET  13  11.913   4.560   3.452
   94   1HG   MET  13          1HG       MET  13   9.865   4.289   4.643
   95   2HG   MET  13          2HG       MET  13  10.675   4.527   6.190
   96   1HE   MET  13          1HE       MET  13   8.353   7.698   5.661
   97   2HE   MET  13          2HE       MET  13   8.610   6.236   6.613
   98   3HE   MET  13          3HE       MET  13   8.022   6.118   4.957
   99    H    ASN  14           H        ASN  14  14.874   2.799   4.472
  100    HA   ASN  14           HA       ASN  14  15.206   2.572   1.745
  101   1HB   ASN  14          1HB       ASN  14  16.903   1.391   3.951
  102   2HB   ASN  14          2HB       ASN  14  17.397   1.480   2.266
  103   1HD2  ASN  14          1HD2      ASN  14  19.152   2.764   2.698
  104   2HD2  ASN  14          2HD2      ASN  14  19.005   4.424   3.161
  105    H    SER  15           H        SER  15  14.775  -0.046   4.125
  106    HA   SER  15           HA       SER  15  15.064  -2.084   2.109
  107   1HB   SER  15          1HB       SER  15  14.046  -2.415   4.945
  108   2HB   SER  15          2HB       SER  15  14.752  -3.651   3.899
  109    HG   SER  15           HG       SER  15  16.726  -2.414   3.961
  110    H    ALA  16           H        ALA  16  12.452  -0.648   4.002
  111    HA   ALA  16           HA       ALA  16  10.395  -2.380   3.252
  112   1HB   ALA  16          1HB       ALA  16  10.235  -0.793   5.111
  113   2HB   ALA  16          2HB       ALA  16   8.872  -0.641   4.002
  114   3HB   ALA  16          3HB       ALA  16  10.180   0.543   3.962
  115    H    LEU  17           H        LEU  17  11.381   0.720   1.780
  116    HA   LEU  17           HA       LEU  17   9.335   0.684  -0.186
  117   1HB   LEU  17          1HB       LEU  17  11.969   2.158  -0.148
  118   2HB   LEU  17          2HB       LEU  17  10.668   2.462  -1.285
  119    HG   LEU  17           HG       LEU  17  10.482   2.829   1.707
  120   1HD1  LEU  17          1HD1      LEU  17  11.929   4.491   0.716
  121   2HD1  LEU  17          2HD1      LEU  17  10.388   5.222   1.173
  122   3HD1  LEU  17          3HD1      LEU  17  10.718   4.844  -0.518
  123   1HD2  LEU  17          1HD2      LEU  17   8.342   2.215   0.721
  124   2HD2  LEU  17          2HD2      LEU  17   8.521   3.483  -0.490
  125   3HD2  LEU  17          3HD2      LEU  17   8.339   3.908   1.211
  126    H    GLN  18           H        GLN  18  12.689  -0.397  -0.174
  127    HA   GLN  18           HA       GLN  18  12.874  -1.152  -2.863
  128   1HB   GLN  18          1HB       GLN  18  14.870  -1.066  -1.583
  129   2HB   GLN  18          2HB       GLN  18  14.230  -2.158  -0.365
  130   1HG   GLN  18          1HG       GLN  18  14.275  -3.982  -2.019
  131   2HG   GLN  18          2HG       GLN  18  14.991  -2.875  -3.190
  132   1HE2  GLN  18          1HE2      GLN  18  15.992  -5.362  -1.964
  133   2HE2  GLN  18          2HE2      GLN  18  17.525  -4.939  -1.274
  134    H    ALA  19           H        ALA  19  11.750  -2.926  -0.024
  135    HA   ALA  19           HA       ALA  19  11.296  -5.382  -1.349
  136   1HB   ALA  19          1HB       ALA  19  10.035  -6.011   0.625
  137   2HB   ALA  19          2HB       ALA  19   9.975  -4.329   1.149
  138   3HB   ALA  19          3HB       ALA  19  11.519  -5.181   1.091
  139    H    LEU  20           H        LEU  20   9.267  -2.550  -0.762
  140    HA   LEU  20           HA       LEU  20   6.813  -3.755  -1.531
  141   1HB   LEU  20          1HB       LEU  20   6.925  -1.741  -0.138
  142   2HB   LEU  20          2HB       LEU  20   7.641  -0.850  -1.466
  143    HG   LEU  20           HG       LEU  20   5.557  -1.134  -2.764
  144   1HD1  LEU  20          1HD1      LEU  20   4.756  -3.198  -1.765
  145   2HD1  LEU  20          2HD1      LEU  20   3.537  -1.930  -1.616
  146   3HD1  LEU  20          3HD1      LEU  20   4.517  -2.381  -0.222
  147   1HD2  LEU  20          1HD2      LEU  20   5.193   0.088  -0.028
  148   2HD2  LEU  20          2HD2      LEU  20   4.215   0.436  -1.454
  149   3HD2  LEU  20          3HD2      LEU  20   5.921   0.876  -1.427
  150    H    ALA  21           H        ALA  21   9.337  -2.027  -3.233
  151    HA   ALA  21           HA       ALA  21   7.867  -1.399  -5.574
  152   1HB   ALA  21          1HB       ALA  21   9.922  -0.225  -4.944
  153   2HB   ALA  21          2HB       ALA  21  10.026  -0.893  -6.573
  154   3HB   ALA  21          3HB       ALA  21  10.848  -1.696  -5.233
  155    H    LYS  22           H        LYS  22  10.268  -3.922  -4.889
  156    HA   LYS  22           HA       LYS  22  10.074  -5.147  -7.425
  157   1HB   LYS  22          1HB       LYS  22  11.110  -6.276  -4.821
  158   2HB   LYS  22          2HB       LYS  22  11.372  -6.983  -6.411
  159   1HG   LYS  22          1HG       LYS  22  12.575  -4.955  -7.097
  160   2HG   LYS  22          2HG       LYS  22  12.337  -4.282  -5.484
  161   1HD   LYS  22          1HD       LYS  22  13.580  -6.213  -4.546
  162   2HD   LYS  22          2HD       LYS  22  13.895  -6.769  -6.192
  163   1HE   LYS  22          1HE       LYS  22  15.054  -4.658  -6.668
  164   2HE   LYS  22          2HE       LYS  22  14.759  -4.128  -5.014
  165   1HZ   LYS  22          1HZ       LYS  22  16.407  -6.456  -5.849
  166   2HZ   LYS  22          2HZ       LYS  22  16.063  -6.041  -4.242
  167   3HZ   LYS  22          3HZ       LYS  22  16.976  -4.989  -5.210
  168    H    GLN  23           H        GLN  23   8.101  -5.413  -4.612
  169    HA   GLN  23           HA       GLN  23   7.053  -8.016  -5.281
  170   1HB   GLN  23          1HB       GLN  23   6.289  -5.959  -3.222
  171   2HB   GLN  23          2HB       GLN  23   5.318  -7.398  -3.496
  172   1HG   GLN  23          1HG       GLN  23   7.232  -8.802  -2.944
  173   2HG   GLN  23          2HG       GLN  23   8.216  -7.365  -2.683
  174   1HE2  GLN  23          1HE2      GLN  23   7.840  -6.087  -0.871
  175   2HE2  GLN  23          2HE2      GLN  23   6.950  -6.674   0.492
  176    H    THR  24           H        THR  24   6.290  -4.733  -6.098
  177    HA   THR  24           HA       THR  24   3.741  -5.666  -7.251
  178    HB   THR  24           HB       THR  24   3.074  -3.207  -7.137
  179    HG1  THR  24           HG1      THR  24   5.103  -3.081  -5.141
  180   1HG2  THR  24          1HG2      THR  24   2.152  -4.903  -5.629
  181   2HG2  THR  24          2HG2      THR  24   2.381  -3.366  -4.795
  182   3HG2  THR  24          3HG2      THR  24   3.525  -4.687  -4.542
  183    H    ASP  25           H        ASP  25   6.755  -5.018  -8.141
  184    HA   ASP  25           HA       ASP  25   7.834  -4.380 -10.037
  185   1HB   ASP  25          1HB       ASP  25   5.095  -4.925 -11.170
  186   2HB   ASP  25          2HB       ASP  25   6.451  -4.445 -12.182
  187    H    THR  26           H        THR  26   6.818  -2.322  -8.356
  188    HA   THR  26           HA       THR  26   5.964  -0.259 -10.265
  189    HB   THR  26           HB       THR  26   5.387   1.057  -8.195
  190    HG1  THR  26           HG1      THR  26   5.283  -1.261  -6.669
  191   1HG2  THR  26          1HG2      THR  26   3.662  -0.110  -9.447
  192   2HG2  THR  26          2HG2      THR  26   3.332  -0.220  -7.717
  193   3HG2  THR  26          3HG2      THR  26   4.011  -1.605  -8.574
  194    H    GLN  27           H        GLN  27   6.868   1.910  -9.966
  195    HA   GLN  27           HA       GLN  27   9.677   1.799  -9.117
  196   1HB   GLN  27          1HB       GLN  27   9.290   2.457 -11.464
  197   2HB   GLN  27          2HB       GLN  27   8.279   3.786 -10.920
  198   1HG   GLN  27          1HG       GLN  27  10.335   4.758 -11.429
  199   2HG   GLN  27          2HG       GLN  27  10.315   4.634  -9.673
  200   1HE2  GLN  27          1HE2      GLN  27  10.870   1.740  -9.737
  201   2HE2  GLN  27          2HE2      GLN  27  12.548   1.600 -10.134
  202    H    LEU  28           H        LEU  28  10.089   2.649  -7.201
  203    HA   LEU  28           HA       LEU  28   8.224   4.664  -6.144
  204   1HB   LEU  28          1HB       LEU  28  10.164   2.885  -4.656
  205   2HB   LEU  28          2HB       LEU  28   9.064   4.034  -3.920
  206    HG   LEU  28           HG       LEU  28   8.303   1.515  -5.403
  207   1HD1  LEU  28          1HD1      LEU  28   9.163   1.128  -3.162
  208   2HD1  LEU  28          2HD1      LEU  28   7.429   0.813  -3.229
  209   3HD1  LEU  28          3HD1      LEU  28   8.029   2.306  -2.507
  210   1HD2  LEU  28          1HD2      LEU  28   6.000   2.050  -4.831
  211   2HD2  LEU  28          2HD2      LEU  28   6.699   3.315  -5.844
  212   3HD2  LEU  28          3HD2      LEU  28   6.517   3.576  -4.107
  213    H    LEU  29           H        LEU  29   8.927   6.662  -6.259
  214    HA   LEU  29           HA       LEU  29  11.824   7.130  -6.412
  215   1HB   LEU  29          1HB       LEU  29  10.468   7.900  -8.330
  216   2HB   LEU  29          2HB       LEU  29   9.533   8.915  -7.247
  217    HG   LEU  29           HG       LEU  29  11.543  10.239  -6.744
  218   1HD1  LEU  29          1HD1      LEU  29  13.576   9.918  -8.074
  219   2HD1  LEU  29          2HD1      LEU  29  12.877   8.462  -8.784
  220   3HD1  LEU  29          3HD1      LEU  29  13.231   8.518  -7.058
  221   1HD2  LEU  29          1HD2      LEU  29  11.748  11.326  -8.925
  222   2HD2  LEU  29          2HD2      LEU  29  10.069  10.934  -8.556
  223   3HD2  LEU  29          3HD2      LEU  29  10.979   9.936  -9.691
  224    H    TYR  30           H        TYR  30  12.721   7.795  -4.628
  225    HA   TYR  30           HA       TYR  30  11.270   9.603  -2.843
  226   1HB   TYR  30          1HB       TYR  30  12.204   8.295  -0.890
  227   2HB   TYR  30          2HB       TYR  30  10.948   7.464  -1.801
  228    HD1  TYR  30           HD1      TYR  30  11.363   5.375  -2.808
  229    HD2  TYR  30           HD2      TYR  30  14.624   7.648  -1.286
  230    HE1  TYR  30           HE1      TYR  30  12.855   3.449  -3.142
  231    HE2  TYR  30           HE2      TYR  30  16.122   5.726  -1.614
  232    HH   TYR  30           HH       TYR  30  16.215   3.508  -2.042
  233    H    SER  31           H        SER  31  12.863  10.481  -1.146
  234    HA   SER  31           HA       SER  31  15.552  10.712  -2.302
  235   1HB   SER  31          1HB       SER  31  13.947  13.013  -1.156
  236   2HB   SER  31          2HB       SER  31  15.576  13.106  -1.827
  237    HG   SER  31           HG       SER  31  14.053  11.953  -3.652
  238    HA   PRO  32           HA       PRO  32  16.916   9.250   1.589
  239   1HB   PRO  32          1HB       PRO  32  19.189  10.903   1.804
  240   2HB   PRO  32          2HB       PRO  32  19.120   9.283   1.110
  241   1HG   PRO  32          1HG       PRO  32  19.076  11.927  -0.245
  242   2HG   PRO  32          2HG       PRO  32  19.751  10.385  -0.802
  243   1HD   PRO  32          1HD       PRO  32  17.458  11.365  -1.798
  244   2HD   PRO  32          2HD       PRO  32  17.691   9.620  -1.555
  245    H    GLU  33           H        GLU  33  17.400  12.766   1.264
  246    HA   GLU  33           HA       GLU  33  17.121  13.239   4.050
  247   1HB   GLU  33          1HB       GLU  33  17.087  15.653   3.396
  248   2HB   GLU  33          2HB       GLU  33  18.486  14.753   2.836
  249   1HG   GLU  33          1HG       GLU  33  16.093  15.326   1.109
  250   2HG   GLU  33          2HG       GLU  33  17.500  16.383   1.204
  251    H    ASP  34           H        ASP  34  14.795  12.508   1.771
  252    HA   ASP  34           HA       ASP  34  12.761  14.265   2.939
  253   1HB   ASP  34          1HB       ASP  34  12.862  12.597   0.436
  254   2HB   ASP  34          2HB       ASP  34  11.322  13.133   1.095
  255    H    ILE  35           H        ILE  35  14.070  11.229   3.337
  256    HA   ILE  35           HA       ILE  35  11.601  10.275   4.630
  257    HB   ILE  35           HB       ILE  35  12.495   7.948   4.357
  258   1HG1  ILE  35          1HG1      ILE  35  14.348   9.268   2.363
  259   2HG1  ILE  35          2HG1      ILE  35  14.841   8.561   3.898
  260   1HG2  ILE  35          1HG2      ILE  35  11.846   9.465   1.837
  261   2HG2  ILE  35          2HG2      ILE  35  10.690   8.771   2.976
  262   3HG2  ILE  35          3HG2      ILE  35  11.745   7.714   2.040
  263   1HD1  ILE  35          1HD1      ILE  35  14.112   6.371   3.124
  264   2HD1  ILE  35          2HD1      ILE  35  15.312   7.073   2.038
  265   3HD1  ILE  35          3HD1      ILE  35  13.604   7.078   1.591
  266    H    GLY  36           H        GLY  36  15.058  10.713   4.848
  267   1HA   GLY  36          1HA       GLY  36  16.334  11.060   6.732
  268   2HA   GLY  36          2HA       GLY  36  14.886  10.862   7.703
  269    H    GLY  37           H        GLY  37  14.991   8.211   5.793
  270   1HA   GLY  37          1HA       GLY  37  15.618   6.024   6.103
  271   2HA   GLY  37          2HA       GLY  37  16.998   6.624   7.011
  272    H    LEU  38           H        LEU  38  13.543   7.041   7.696
  273    HA   LEU  38           HA       LEU  38  14.044   6.069  10.392
  274   1HB   LEU  38          1HB       LEU  38  11.806   6.974  10.903
  275   2HB   LEU  38          2HB       LEU  38  12.895   8.177  10.248
  276    HG   LEU  38           HG       LEU  38  11.700   7.619   7.980
  277   1HD1  LEU  38          1HD1      LEU  38   9.308   7.093   8.344
  278   2HD1  LEU  38          2HD1      LEU  38   9.687   6.695  10.020
  279   3HD1  LEU  38          3HD1      LEU  38  10.389   5.747   8.707
  280   1HD2  LEU  38          1HD2      LEU  38  10.037   9.359   8.463
  281   2HD2  LEU  38          2HD2      LEU  38  11.639   9.783   9.063
  282   3HD2  LEU  38          3HD2      LEU  38  10.402   9.215  10.183
  283    H    ARG  39           H        ARG  39  12.404   4.639  11.403
  284    HA   ARG  39           HA       ARG  39  11.986   2.341   9.743
  285   1HB   ARG  39          1HB       ARG  39  10.981   1.343  11.795
  286   2HB   ARG  39          2HB       ARG  39  12.608   1.954  12.030
  287   1HG   ARG  39          1HG       ARG  39  11.643   4.004  13.032
  288   2HG   ARG  39          2HG       ARG  39  10.044   3.275  12.882
  289   1HD   ARG  39          1HD       ARG  39  10.899   2.977  15.133
  290   2HD   ARG  39          2HD       ARG  39  10.766   1.421  14.316
  291    HE   ARG  39           HE       ARG  39  13.153   1.392  14.089
  292   1HH1  ARG  39          1HH1      ARG  39  11.913   3.955  16.132
  293   2HH1  ARG  39          2HH1      ARG  39  13.409   4.153  17.002
  294   1HH2  ARG  39          1HH2      ARG  39  15.130   1.664  15.229
  295   2HH2  ARG  39          2HH2      ARG  39  15.222   2.861  16.490
  296    H    SER  40           H        SER  40  10.305   1.924   8.546
  297    HA   SER  40           HA       SER  40   8.100   3.786   8.558
  298   1HB   SER  40          1HB       SER  40   7.445   2.341   6.513
  299   2HB   SER  40          2HB       SER  40   8.910   3.319   6.405
  300    HG   SER  40           HG       SER  40   9.005   0.640   7.298
  301    H    SER  41           H        SER  41   5.866   2.960   8.238
  302    HA   SER  41           HA       SER  41   5.245   1.027  10.301
  303   1HB   SER  41          1HB       SER  41   3.314   2.536   8.519
  304   2HB   SER  41          2HB       SER  41   2.972   1.789  10.079
  305    HG   SER  41           HG       SER  41   4.798   3.383  10.744
  306    H    ALA  42           H        ALA  42   5.704  -0.978   9.561
  307    HA   ALA  42           HA       ALA  42   5.660  -1.824   6.921
  308   1HB   ALA  42          1HB       ALA  42   5.361  -3.507   9.400
  309   2HB   ALA  42          2HB       ALA  42   6.887  -2.964   8.703
  310   3HB   ALA  42          3HB       ALA  42   5.853  -4.079   7.808
  311    H    LEU  43           H        LEU  43   4.085  -2.332   5.571
  312    HA   LEU  43           HA       LEU  43   1.420  -2.928   6.642
  313   1HB   LEU  43          1HB       LEU  43   1.936  -1.109   4.834
  314   2HB   LEU  43          2HB       LEU  43   2.041  -2.468   3.738
  315    HG   LEU  43           HG       LEU  43  -0.169  -1.287   3.745
  316   1HD1  LEU  43          1HD1      LEU  43   0.027  -3.575   2.930
  317   2HD1  LEU  43          2HD1      LEU  43  -1.521  -3.311   3.734
  318   3HD1  LEU  43          3HD1      LEU  43  -0.231  -4.185   4.563
  319   1HD2  LEU  43          1HD2      LEU  43  -0.319  -0.775   6.106
  320   2HD2  LEU  43          2HD2      LEU  43  -0.371  -2.491   6.499
  321   3HD2  LEU  43          3HD2      LEU  43  -1.701  -1.750   5.611
  322    H    LYS  44           H        LYS  44   1.870  -5.007   7.265
  323    HA   LYS  44           HA       LYS  44   2.888  -6.911   5.279
  324   1HB   LYS  44          1HB       LYS  44   3.941  -6.675   7.556
  325   2HB   LYS  44          2HB       LYS  44   2.441  -7.266   8.249
  326   1HG   LYS  44          1HG       LYS  44   2.756  -9.371   6.944
  327   2HG   LYS  44          2HG       LYS  44   4.353  -8.769   6.482
  328   1HD   LYS  44          1HD       LYS  44   4.879  -8.518   8.911
  329   2HD   LYS  44          2HD       LYS  44   3.349  -9.316   9.272
  330   1HE   LYS  44          1HE       LYS  44   5.049 -10.969   9.402
  331   2HE   LYS  44          2HE       LYS  44   4.151 -11.263   7.917
  332   1HZ   LYS  44          1HZ       LYS  44   6.650  -9.676   7.927
  333   2HZ   LYS  44          2HZ       LYS  44   5.891 -10.444   6.615
  334   3HZ   LYS  44          3HZ       LYS  44   6.667 -11.367   7.805
  335    H    GLY  45           H        GLY  45   1.076  -7.377   4.049
  336   1HA   GLY  45          1HA       GLY  45  -0.690  -9.330   4.895
  337   2HA   GLY  45          2HA       GLY  45  -1.504  -7.797   5.176
  338    H    ARG  46           H        ARG  46  -3.058  -8.636   3.616
  339    HA   ARG  46           HA       ARG  46  -2.122  -8.367   0.834
  340   1HB   ARG  46          1HB       ARG  46  -3.016 -10.578   1.113
  341   2HB   ARG  46          2HB       ARG  46  -4.440  -9.961   1.945
  342   1HG   ARG  46          1HG       ARG  46  -5.030  -8.747  -0.163
  343   2HG   ARG  46          2HG       ARG  46  -3.724  -9.621  -0.956
  344   1HD   ARG  46          1HD       ARG  46  -4.801 -11.695  -0.677
  345   2HD   ARG  46          2HD       ARG  46  -5.934 -11.033   0.506
  346    HE   ARG  46           HE       ARG  46  -6.831  -9.671  -1.405
  347   1HH1  ARG  46          1HH1      ARG  46  -5.279 -12.776  -1.944
  348   2HH1  ARG  46          2HH1      ARG  46  -6.119 -13.061  -3.445
  349   1HH2  ARG  46          1HH2      ARG  46  -7.890 -10.033  -3.358
  350   2HH2  ARG  46          2HH2      ARG  46  -7.566 -11.473  -4.280
  351    H    HIS  47           H        HIS  47  -2.627  -6.434   0.030
  352    HA   HIS  47           HA       HIS  47  -5.338  -5.451   0.313
  353   1HB   HIS  47          1HB       HIS  47  -2.977  -4.010   1.481
  354   2HB   HIS  47          2HB       HIS  47  -4.372  -3.112   0.898
  355    HD1  HIS  47           HD1      HIS  47  -6.731  -3.906   2.046
  356    HD2  HIS  47           HD2      HIS  47  -3.210  -4.869   4.041
  357    HE1  HIS  47           HE1      HIS  47  -7.409  -4.409   4.419
  358    HE2  HIS  47           HE2      HIS  47  -5.243  -4.817   5.638
  359    H    ASP  48           H        ASP  48  -5.689  -3.466  -0.957
  360    HA   ASP  48           HA       ASP  48  -4.638  -3.680  -3.583
  361   1HB   ASP  48          1HB       ASP  48  -6.802  -2.844  -3.551
  362   2HB   ASP  48          2HB       ASP  48  -6.499  -1.824  -2.151
  363    H    LEU  49           H        LEU  49  -3.442  -2.008  -4.754
  364    HA   LEU  49           HA       LEU  49  -1.010  -1.498  -3.474
  365   1HB   LEU  49          1HB       LEU  49  -1.643  -1.695  -5.993
  366   2HB   LEU  49          2HB       LEU  49  -1.915   0.032  -5.890
  367    HG   LEU  49           HG       LEU  49   0.717  -1.244  -5.156
  368   1HD1  LEU  49          1HD1      LEU  49   0.247  -1.777  -7.469
  369   2HD1  LEU  49          2HD1      LEU  49   1.494  -0.533  -7.381
  370   3HD1  LEU  49          3HD1      LEU  49  -0.161  -0.094  -7.803
  371   1HD2  LEU  49          1HD2      LEU  49   0.352   0.984  -4.246
  372   2HD2  LEU  49          2HD2      LEU  49  -0.049   1.588  -5.856
  373   3HD2  LEU  49          3HD2      LEU  49   1.584   1.012  -5.509
  374    H    GLN  50           H        GLN  50  -3.415   0.912  -4.596
  375    HA   GLN  50           HA       GLN  50  -2.166   3.120  -3.395
  376   1HB   GLN  50          1HB       GLN  50  -3.888   3.307  -5.153
  377   2HB   GLN  50          2HB       GLN  50  -5.099   2.731  -4.018
  378   1HG   GLN  50          1HG       GLN  50  -4.680   4.705  -2.607
  379   2HG   GLN  50          2HG       GLN  50  -3.536   5.294  -3.811
  380   1HE2  GLN  50          1HE2      GLN  50  -6.873   4.708  -3.060
  381   2HE2  GLN  50          2HE2      GLN  50  -7.543   5.627  -4.370
  382    H    SER  51           H        SER  51  -4.559   0.853  -2.195
  383    HA   SER  51           HA       SER  51  -5.275   2.186   0.169
  384   1HB   SER  51          1HB       SER  51  -5.159  -0.802  -0.295
  385   2HB   SER  51          2HB       SER  51  -6.124   0.031   0.924
  386    HG   SER  51           HG       SER  51  -6.385   0.292  -1.905
  387    H    SER  52           H        SER  52  -2.742  -0.274  -0.407
  388    HA   SER  52           HA       SER  52  -1.846  -0.400   2.256
  389   1HB   SER  52          1HB       SER  52   0.215  -1.415   1.306
  390   2HB   SER  52          2HB       SER  52  -1.257  -2.136   0.666
  391    HG   SER  52           HG       SER  52  -0.885  -0.435  -1.087
  392    H    LEU  53           H        LEU  53  -0.936   1.709  -0.417
  393    HA   LEU  53           HA       LEU  53   1.332   2.864   0.778
  394   1HB   LEU  53          1HB       LEU  53  -0.559   3.984  -1.289
  395   2HB   LEU  53          2HB       LEU  53   0.978   4.709  -0.852
  396    HG   LEU  53           HG       LEU  53   0.630   1.975  -2.080
  397   1HD1  LEU  53          1HD1      LEU  53   1.589   2.968  -4.077
  398   2HD1  LEU  53          2HD1      LEU  53   1.658   4.543  -3.281
  399   3HD1  LEU  53          3HD1      LEU  53   0.097   3.796  -3.629
  400   1HD2  LEU  53          1HD2      LEU  53   3.103   3.563  -1.419
  401   2HD2  LEU  53          2HD2      LEU  53   3.073   2.064  -2.342
  402   3HD2  LEU  53          3HD2      LEU  53   2.582   2.065  -0.649
  403    H    ARG  54           H        ARG  54  -2.074   3.873   0.749
  404    HA   ARG  54           HA       ARG  54  -1.620   6.313   2.106
  405   1HB   ARG  54          1HB       ARG  54  -4.107   4.657   1.708
  406   2HB   ARG  54          2HB       ARG  54  -4.116   6.200   2.556
  407   1HG   ARG  54          1HG       ARG  54  -3.170   7.269   0.538
  408   2HG   ARG  54          2HG       ARG  54  -3.294   5.724  -0.299
  409   1HD   ARG  54          1HD       ARG  54  -5.685   5.736  -0.090
  410   2HD   ARG  54          2HD       ARG  54  -5.633   7.173   0.933
  411    HE   ARG  54           HE       ARG  54  -4.379   7.884  -1.415
  412   1HH1  ARG  54          1HH1      ARG  54  -7.584   6.820  -0.455
  413   2HH1  ARG  54          2HH1      ARG  54  -8.373   7.580  -1.808
  414   1HH2  ARG  54          1HH2      ARG  54  -5.400   8.868  -3.184
  415   2HH2  ARG  54          2HH2      ARG  54  -7.129   8.764  -3.353
  416    H    ILE  55           H        ILE  55  -2.402   3.062   3.257
  417    HA   ILE  55           HA       ILE  55  -2.756   3.828   5.972
  418    HB   ILE  55           HB       ILE  55  -1.993   1.140   4.813
  419   1HG1  ILE  55          1HG1      ILE  55  -4.140   1.982   3.980
  420   2HG1  ILE  55          2HG1      ILE  55  -4.374   0.603   5.047
  421   1HG2  ILE  55          1HG2      ILE  55  -2.829   0.212   6.930
  422   2HG2  ILE  55          2HG2      ILE  55  -3.026   1.848   7.556
  423   3HG2  ILE  55          3HG2      ILE  55  -1.417   1.242   7.164
  424   1HD1  ILE  55          1HD1      ILE  55  -6.040   2.314   5.451
  425   2HD1  ILE  55          2HD1      ILE  55  -4.773   3.496   5.780
  426   3HD1  ILE  55          3HD1      ILE  55  -4.998   2.120   6.860
  427    H    LEU  56           H        LEU  56   0.011   2.944   4.010
  428    HA   LEU  56           HA       LEU  56   1.844   2.670   6.179
  429   1HB   LEU  56          1HB       LEU  56   1.979   1.802   3.726
  430   2HB   LEU  56          2HB       LEU  56   2.641   3.384   3.376
  431    HG   LEU  56           HG       LEU  56   3.852   1.529   5.428
  432   1HD1  LEU  56          1HD1      LEU  56   5.486   0.933   3.703
  433   2HD1  LEU  56          2HD1      LEU  56   4.559   1.848   2.514
  434   3HD1  LEU  56          3HD1      LEU  56   3.859   0.415   3.266
  435   1HD2  LEU  56          1HD2      LEU  56   5.841   2.902   5.115
  436   2HD2  LEU  56          2HD2      LEU  56   4.475   3.894   5.628
  437   3HD2  LEU  56          3HD2      LEU  56   4.982   3.898   3.939
  438    H    LEU  57           H        LEU  57   1.138   5.267   3.846
  439    HA   LEU  57           HA       LEU  57   2.899   7.092   5.308
  440   1HB   LEU  57          1HB       LEU  57   1.468   7.414   2.671
  441   2HB   LEU  57          2HB       LEU  57   2.548   8.598   3.375
  442    HG   LEU  57           HG       LEU  57   3.340   5.817   2.506
  443   1HD1  LEU  57          1HD1      LEU  57   4.544   6.968   0.710
  444   2HD1  LEU  57          2HD1      LEU  57   3.862   8.505   1.241
  445   3HD1  LEU  57          3HD1      LEU  57   2.806   7.243   0.605
  446   1HD2  LEU  57          1HD2      LEU  57   4.983   8.137   3.497
  447   2HD2  LEU  57          2HD2      LEU  57   5.619   6.604   2.902
  448   3HD2  LEU  57          3HD2      LEU  57   4.657   6.648   4.380
  449    H    GLN  58           H        GLN  58   0.164   6.159   6.150
  450    HA   GLN  58           HA       GLN  58  -1.778   8.102   6.112
  451   1HB   GLN  58          1HB       GLN  58  -1.925   5.822   7.124
  452   2HB   GLN  58          2HB       GLN  58  -1.010   6.420   8.499
  453   1HG   GLN  58          1HG       GLN  58  -3.278   6.423   9.130
  454   2HG   GLN  58          2HG       GLN  58  -2.824   8.104   8.857
  455   1HE2  GLN  58          1HE2      GLN  58  -3.431   5.834   6.266
  456   2HE2  GLN  58          2HE2      GLN  58  -4.900   6.566   5.709
  457    H    GLY  59           H        GLY  59  -0.978  10.226   6.195
  458   1HA   GLY  59          1HA       GLY  59  -0.724  12.207   7.337
  459   2HA   GLY  59          2HA       GLY  59  -0.891  11.305   8.835
  460    H    THR  60           H        THR  60   1.562  10.875   6.318
  461    HA   THR  60           HA       THR  60   3.639  11.202   8.315
  462    HB   THR  60           HB       THR  60   5.189  10.628   6.425
  463    HG1  THR  60           HG1      THR  60   2.777  10.815   5.031
  464   1HG2  THR  60          1HG2      THR  60   2.909   8.718   6.948
  465   2HG2  THR  60          2HG2      THR  60   4.371   8.893   7.922
  466   3HG2  THR  60          3HG2      THR  60   4.478   8.274   6.272
  467    H    GLY  61           H        GLY  61   1.961  13.418   6.633
  468   1HA   GLY  61          1HA       GLY  61   2.329  15.626   6.143
  469   2HA   GLY  61          2HA       GLY  61   3.855  15.483   7.002
  470    H    LEU  62           H        LEU  62   3.591  13.232   4.507
  471    HA   LEU  62           HA       LEU  62   5.280  14.908   2.777
  472   1HB   LEU  62          1HB       LEU  62   5.135  11.895   2.922
  473   2HB   LEU  62          2HB       LEU  62   6.232  12.830   1.926
  474    HG   LEU  62           HG       LEU  62   6.237  12.752   4.945
  475   1HD1  LEU  62          1HD1      LEU  62   8.153  11.576   2.940
  476   2HD1  LEU  62          2HD1      LEU  62   7.017  10.674   3.941
  477   3HD1  LEU  62          3HD1      LEU  62   8.344  11.557   4.693
  478   1HD2  LEU  62          1HD2      LEU  62   6.946  14.922   4.053
  479   2HD2  LEU  62          2HD2      LEU  62   8.132  14.108   3.029
  480   3HD2  LEU  62          3HD2      LEU  62   8.289  14.043   4.784
  481    H    ARG  63           H        ARG  63   5.116  14.309   0.405
  482    HA   ARG  63           HA       ARG  63   2.277  13.858  -0.231
  483   1HB   ARG  63          1HB       ARG  63   4.362  15.497  -1.671
  484   2HB   ARG  63          2HB       ARG  63   2.793  15.104  -2.356
  485   1HG   ARG  63          1HG       ARG  63   3.286  16.685   0.152
  486   2HG   ARG  63          2HG       ARG  63   2.787  17.334  -1.411
  487   1HD   ARG  63          1HD       ARG  63   1.231  15.531   0.431
  488   2HD   ARG  63          2HD       ARG  63   0.847  17.187  -0.033
  489    HE   ARG  63           HE       ARG  63   0.973  15.389  -2.271
  490   1HH1  ARG  63          1HH1      ARG  63  -1.073  16.696   0.252
  491   2HH1  ARG  63          2HH1      ARG  63  -2.552  16.252  -0.548
  492   1HH2  ARG  63          1HH2      ARG  63  -0.951  14.781  -3.308
  493   2HH2  ARG  63          2HH2      ARG  63  -2.484  15.112  -2.561
  494    H    TYR  64           H        TYR  64   1.846  12.016  -1.245
  495    HA   TYR  64           HA       TYR  64   3.994  10.764  -2.804
  496   1HB   TYR  64          1HB       TYR  64   2.672   8.706  -2.755
  497   2HB   TYR  64          2HB       TYR  64   2.959   9.300  -1.128
  498    HD1  TYR  64           HD1      TYR  64   1.151   9.906   0.296
  499    HD2  TYR  64           HD2      TYR  64   0.414   8.935  -3.781
  500    HE1  TYR  64           HE1      TYR  64  -1.253   9.789   0.764
  501    HE2  TYR  64           HE2      TYR  64  -1.998   8.821  -3.320
  502    HH   TYR  64           HH       TYR  64  -3.328   9.878  -0.292
  503    H    GLN  65           H        GLN  65   3.663  10.129  -4.917
  504    HA   GLN  65           HA       GLN  65   1.280  11.209  -6.254
  505   1HB   GLN  65          1HB       GLN  65   4.118  11.435  -7.291
  506   2HB   GLN  65          2HB       GLN  65   2.668  11.973  -8.127
  507   1HG   GLN  65          1HG       GLN  65   2.262  13.608  -6.353
  508   2HG   GLN  65          2HG       GLN  65   3.731  13.078  -5.538
  509   1HE2  GLN  65          1HE2      GLN  65   4.703  15.074  -5.673
  510   2HE2  GLN  65          2HE2      GLN  65   5.278  15.738  -7.161
  511    H    ILE  66           H        ILE  66   0.268   9.401  -6.880
  512    HA   ILE  66           HA       ILE  66   1.915   7.261  -8.039
  513    HB   ILE  66           HB       ILE  66   0.845   6.399  -6.096
  514   1HG1  ILE  66          1HG1      ILE  66  -0.730   5.510  -8.521
  515   2HG1  ILE  66          2HG1      ILE  66   0.872   4.933  -8.080
  516   1HG2  ILE  66          1HG2      ILE  66  -1.767   7.426  -7.193
  517   2HG2  ILE  66          2HG2      ILE  66  -0.889   8.078  -5.810
  518   3HG2  ILE  66          3HG2      ILE  66  -1.571   6.454  -5.734
  519   1HD1  ILE  66          1HD1      ILE  66  -0.044   3.984  -6.020
  520   2HD1  ILE  66          2HD1      ILE  66  -0.836   3.333  -7.458
  521   3HD1  ILE  66          3HD1      ILE  66  -1.648   4.554  -6.482
  522    H    ASP  67           H        ASP  67   1.861   7.239 -10.144
  523    HA   ASP  67           HA       ASP  67  -0.661   7.107 -11.535
  524   1HB   ASP  67          1HB       ASP  67  -0.362   9.526 -11.507
  525   2HB   ASP  67          2HB       ASP  67   1.279   9.353 -12.129
  526    H    GLY  68           H        GLY  68  -0.490   5.822 -13.306
  527   1HA   GLY  68          1HA       GLY  68   0.466   4.355 -14.797
  528   2HA   GLY  68          2HA       GLY  68   1.878   5.405 -14.794
  529    H    ASN  69           H        ASN  69   3.649   4.307 -14.296
  530    HA   ASN  69           HA       ASN  69   3.476   2.260 -12.175
  531   1HB   ASN  69          1HB       ASN  69   5.520   2.648 -14.377
  532   2HB   ASN  69          2HB       ASN  69   5.679   1.464 -13.085
  533   1HD2  ASN  69          1HD2      ASN  69   4.032   2.313 -16.013
  534   2HD2  ASN  69          2HD2      ASN  69   3.266   0.782 -16.267
  535    H    THR  70           H        THR  70   3.785   5.290 -12.082
  536    HA   THR  70           HA       THR  70   6.382   5.430 -10.702
  537    HB   THR  70           HB       THR  70   4.766   7.746 -11.776
  538    HG1  THR  70           HG1      THR  70   5.887   7.578 -13.630
  539   1HG2  THR  70          1HG2      THR  70   6.905   8.953 -11.597
  540   2HG2  THR  70          2HG2      THR  70   7.649   7.515 -10.897
  541   3HG2  THR  70          3HG2      THR  70   6.359   8.351 -10.034
  542    H    VAL  71           H        VAL  71   6.327   5.563  -8.576
  543    HA   VAL  71           HA       VAL  71   4.141   7.079  -7.307
  544    HB   VAL  71           HB       VAL  71   5.573   4.722  -6.057
  545   1HG1  VAL  71          1HG1      VAL  71   3.847   4.900  -4.319
  546   2HG1  VAL  71          2HG1      VAL  71   3.200   6.333  -5.122
  547   3HG1  VAL  71          3HG1      VAL  71   4.823   6.365  -4.433
  548   1HG2  VAL  71          1HG2      VAL  71   3.450   3.510  -6.290
  549   2HG2  VAL  71          2HG2      VAL  71   4.139   3.941  -7.855
  550   3HG2  VAL  71          3HG2      VAL  71   2.785   4.863  -7.201
  551    H    THR  72           H        THR  72   5.028   8.947  -6.688
  552    HA   THR  72           HA       THR  72   7.855   8.959  -5.874
  553    HB   THR  72           HB       THR  72   6.167  11.266  -6.869
  554    HG1  THR  72           HG1      THR  72   7.176  10.943  -8.816
  555   1HG2  THR  72          1HG2      THR  72   9.138  11.078  -6.350
  556   2HG2  THR  72          2HG2      THR  72   7.977  11.987  -5.386
  557   3HG2  THR  72          3HG2      THR  72   8.300  12.463  -7.050
  558    H    VAL  73           H        VAL  73   8.387   9.471  -3.856
  559    HA   VAL  73           HA       VAL  73   6.330  10.670  -2.114
  560    HB   VAL  73           HB       VAL  73   8.673   8.947  -1.275
  561   1HG1  VAL  73          1HG1      VAL  73   8.015  10.547   0.432
  562   2HG1  VAL  73          2HG1      VAL  73   7.574   8.911   0.915
  563   3HG1  VAL  73          3HG1      VAL  73   6.340  10.014   0.310
  564   1HG2  VAL  73          1HG2      VAL  73   5.748   8.259  -1.534
  565   2HG2  VAL  73          2HG2      VAL  73   6.952   7.247  -0.736
  566   3HG2  VAL  73          3HG2      VAL  73   7.087   7.582  -2.462
  567    H    THR  74           H        THR  74   6.740  12.777  -2.033
  568    HA   THR  74           HA       THR  74   9.507  13.633  -1.485
  569    HB   THR  74           HB       THR  74   8.794  14.177  -3.814
  570    HG1  THR  74           HG1      THR  74  10.333  15.516  -2.844
  571   1HG2  THR  74          1HG2      THR  74   6.420  14.541  -3.453
  572   2HG2  THR  74          2HG2      THR  74   7.152  15.984  -4.154
  573   3HG2  THR  74          3HG2      THR  74   6.765  15.939  -2.434
  574    H    ALA  75           H        ALA  75   9.759  15.430  -0.093
  575    HA   ALA  75           HA       ALA  75   7.802  15.639   1.958
  576   1HB   ALA  75          1HB       ALA  75  10.190  15.838   2.421
  577   2HB   ALA  75          2HB       ALA  75   9.324  17.286   2.934
  578   3HB   ALA  75          3HB       ALA  75  10.264  17.306   1.442
  579    H    SER  76           H        SER  76   6.211  17.047   2.222
  580    HA   SER  76           HA       SER  76   5.277  18.659   0.141
  581   1HB   SER  76          1HB       SER  76   4.556  19.018   3.053
  582   2HB   SER  76          2HB       SER  76   3.544  19.309   1.639
  583    HG   SER  76           HG       SER  76   3.819  17.059   3.049
  584    H    ALA  77           H        ALA  77   7.090  19.459   3.065
  585    HA   ALA  77           HA       ALA  77   8.351  21.695   1.860
  586   1HB   ALA  77          1HB       ALA  77   7.458  23.463   3.293
  587   2HB   ALA  77          2HB       ALA  77   6.315  22.320   4.002
  588   3HB   ALA  77          3HB       ALA  77   6.187  22.755   2.298
  589    H    ALA  78           H        ALA  78  10.201  20.653   2.575
  590    HA   ALA  78           HA       ALA  78  10.528  20.231   5.456
  591   1HB   ALA  78          1HB       ALA  78  11.217  18.445   3.913
  592   2HB   ALA  78          2HB       ALA  78  12.567  19.049   4.874
  593   3HB   ALA  78          3HB       ALA  78  12.394  19.540   3.187
  594    H    ALA  79           H        ALA  79  10.351  22.909   4.360
  595    HA   ALA  79           HA       ALA  79  13.039  23.987   4.493
  596   1HB   ALA  79          1HB       ALA  79  10.360  25.328   4.132
  597   2HB   ALA  79          2HB       ALA  79  11.547  24.971   2.878
  598   3HB   ALA  79          3HB       ALA  79  11.910  26.167   4.120
  599    H    LYS  80           H        LYS  80  13.042  26.187   5.833
  600    HA   LYS  80           HA       LYS  80  13.055  27.246   7.835
  601   1HB   LYS  80          1HB       LYS  80  10.602  26.796   7.907
  602   2HB   LYS  80          2HB       LYS  80  10.934  25.287   8.740
  603   1HG   LYS  80          1HG       LYS  80  10.323  26.803  10.420
  604   2HG   LYS  80          2HG       LYS  80  12.080  26.697  10.524
  605   1HD   LYS  80          1HD       LYS  80  10.705  28.841   8.924
  606   2HD   LYS  80          2HD       LYS  80  11.013  29.027  10.650
  607   1HE   LYS  80          1HE       LYS  80  13.367  28.885  10.323
  608   2HE   LYS  80          2HE       LYS  80  13.167  28.382   8.644
  609   1HZ   LYS  80          1HZ       LYS  80  12.385  31.033   9.733
  610   2HZ   LYS  80          2HZ       LYS  80  12.284  30.544   8.112
  611   3HZ   LYS  80          3HZ       LYS  80  13.801  30.720   8.854
  612    H    ASP  81           H        ASP  81  12.419  23.857   8.721
  613    HA   ASP  81           HA       ASP  81  14.828  23.918  10.387
  614   1HB   ASP  81          1HB       ASP  81  12.262  22.487  10.513
  615   2HB   ASP  81          2HB       ASP  81  13.667  21.497  10.901
  616    H    GLY  82           H        GLY  82  14.950  23.725   7.491
  617   1HA   GLY  82          1HA       GLY  82  16.749  21.487   7.321
  618   2HA   GLY  82          2HA       GLY  82  15.300  21.292   6.339
  Start of MODEL   20
    1   1H    SER   1          1H        SER   1 -11.488  -4.917  -7.590
    2   2H    SER   1          2H        SER   1 -11.048  -5.863  -6.251
    3   3H    SER   1          3H        SER   1 -11.046  -6.540  -7.807
    4    HA   SER   1           HA       SER   1  -9.277  -5.050  -8.476
    5   1HB   SER   1          1HB       SER   1  -9.245  -4.271  -5.548
    6   2HB   SER   1          2HB       SER   1  -8.158  -3.681  -6.802
    7    HG   SER   1           HG       SER   1  -9.937  -2.254  -6.267
    8    H    GLN   2           H        GLN   2  -7.317  -6.051  -8.571
    9    HA   GLN   2           HA       GLN   2  -7.032  -8.560  -7.248
   10   1HB   GLN   2          1HB       GLN   2  -5.128  -6.955  -8.955
   11   2HB   GLN   2          2HB       GLN   2  -4.751  -8.555  -8.326
   12   1HG   GLN   2          1HG       GLN   2  -6.681  -9.470  -9.516
   13   2HG   GLN   2          2HG       GLN   2  -7.037  -7.869 -10.159
   14   1HE2  GLN   2          1HE2      GLN   2  -6.840  -8.557 -12.254
   15   2HE2  GLN   2          2HE2      GLN   2  -5.315  -8.939 -12.978
   16    H    GLU   3           H        GLU   3  -5.988  -9.084  -5.451
   17    HA   GLU   3           HA       GLU   3  -4.692  -6.912  -3.959
   18   1HB   GLU   3          1HB       GLU   3  -6.024  -9.426  -2.937
   19   2HB   GLU   3          2HB       GLU   3  -5.267  -8.195  -1.938
   20   1HG   GLU   3          1HG       GLU   3  -6.903  -6.565  -2.639
   21   2HG   GLU   3          2HG       GLU   3  -7.632  -7.735  -3.740
   22    H    TRP   4           H        TRP   4  -2.857  -7.465  -2.671
   23    HA   TRP   4           HA       TRP   4  -1.391  -9.803  -3.680
   24   1HB   TRP   4          1HB       TRP   4  -0.328  -6.990  -3.357
   25   2HB   TRP   4          2HB       TRP   4   0.679  -8.401  -3.665
   26    HD1  TRP   4           HD1      TRP   4   0.397  -9.587  -6.095
   27    HE1  TRP   4           HE1      TRP   4  -0.295  -8.589  -8.366
   28    HE3  TRP   4           HE3      TRP   4  -1.782  -5.270  -4.443
   29    HZ2  TRP   4           HZ2      TRP   4  -1.601  -6.276  -9.324
   30    HZ3  TRP   4           HZ3      TRP   4  -2.733  -3.721  -6.102
   31    HH2  TRP   4           HH2      TRP   4  -2.644  -4.211  -8.491
   32    H    THR   5           H        THR   5   0.103 -10.707  -2.261
   33    HA   THR   5           HA       THR   5  -0.294  -9.987   0.550
   34    HB   THR   5           HB       THR   5   1.165 -12.394  -0.578
   35    HG1  THR   5           HG1      THR   5  -1.209 -12.179  -1.018
   36   1HG2  THR   5          1HG2      THR   5   0.093 -11.794   2.186
   37   2HG2  THR   5          2HG2      THR   5   1.792 -11.834   1.720
   38   3HG2  THR   5          3HG2      THR   5   0.835 -13.313   1.685
   39    H    LEU   6           H        LEU   6   0.996  -8.313   0.979
   40    HA   LEU   6           HA       LEU   6   3.664  -8.196  -0.214
   41   1HB   LEU   6          1HB       LEU   6   2.227  -6.072   1.373
   42   2HB   LEU   6          2HB       LEU   6   3.621  -5.859   0.332
   43    HG   LEU   6           HG       LEU   6   0.899  -6.682  -0.677
   44   1HD1  LEU   6          1HD1      LEU   6   2.169  -3.948  -0.577
   45   2HD1  LEU   6          2HD1      LEU   6   0.736  -4.477   0.305
   46   3HD1  LEU   6          3HD1      LEU   6   0.692  -4.355  -1.453
   47   1HD2  LEU   6          1HD2      LEU   6   3.360  -5.661  -2.091
   48   2HD2  LEU   6          2HD2      LEU   6   1.811  -6.023  -2.851
   49   3HD2  LEU   6          3HD2      LEU   6   2.758  -7.320  -2.122
   50    H    ASP   7           H        ASP   7   5.349  -8.863   0.990
   51    HA   ASP   7           HA       ASP   7   5.157  -8.807   3.895
   52   1HB   ASP   7          1HB       ASP   7   7.269  -9.879   2.021
   53   2HB   ASP   7          2HB       ASP   7   7.480  -9.828   3.769
   54    H    ILE   8           H        ILE   8   5.393  -6.801   4.672
   55    HA   ILE   8           HA       ILE   8   7.466  -5.086   3.504
   56    HB   ILE   8           HB       ILE   8   4.918  -4.391   4.964
   57   1HG1  ILE   8          1HG1      ILE   8   4.615  -5.052   2.626
   58   2HG1  ILE   8          2HG1      ILE   8   4.298  -3.330   2.829
   59   1HG2  ILE   8          1HG2      ILE   8   6.674  -2.835   5.631
   60   2HG2  ILE   8          2HG2      ILE   8   5.502  -2.033   4.585
   61   3HG2  ILE   8          3HG2      ILE   8   7.067  -2.530   3.940
   62   1HD1  ILE   8          1HD1      ILE   8   6.493  -2.815   1.920
   63   2HD1  ILE   8          2HD1      ILE   8   5.548  -3.787   0.793
   64   3HD1  ILE   8          3HD1      ILE   8   6.832  -4.535   1.744
   65    HA   PRO   9           HA       PRO   9   9.666  -5.553   7.365
   66   1HB   PRO   9          1HB       PRO   9  11.289  -3.349   6.281
   67   2HB   PRO   9          2HB       PRO   9  11.770  -4.994   6.705
   68   1HG   PRO   9          1HG       PRO   9  11.620  -4.198   4.153
   69   2HG   PRO   9          2HG       PRO   9  11.169  -5.842   4.642
   70   1HD   PRO   9          1HD       PRO   9   9.404  -3.489   4.052
   71   2HD   PRO   9          2HD       PRO   9   9.221  -5.187   3.559
   72    H    ALA  10           H        ALA  10  10.372  -4.162   9.151
   73    HA   ALA  10           HA       ALA  10   8.741  -1.706   9.368
   74   1HB   ALA  10          1HB       ALA  10   8.490  -2.171  11.738
   75   2HB   ALA  10          2HB       ALA  10   9.487  -3.616  11.577
   76   3HB   ALA  10          3HB       ALA  10   7.914  -3.536  10.784
   77    H    GLN  11           H        GLN  11  11.606  -2.192   8.554
   78    HA   GLN  11           HA       GLN  11  12.921  -0.543  10.588
   79   1HB   GLN  11          1HB       GLN  11  15.025  -1.096   9.271
   80   2HB   GLN  11          2HB       GLN  11  14.273  -2.425  10.134
   81   1HG   GLN  11          1HG       GLN  11  13.468  -2.050   7.318
   82   2HG   GLN  11          2HG       GLN  11  15.114  -2.607   7.615
   83   1HE2  GLN  11          1HE2      GLN  11  14.660  -4.614   6.697
   84   2HE2  GLN  11          2HE2      GLN  11  13.713  -5.809   7.525
   85    H    SER  12           H        SER  12  14.904   0.485   8.744
   86    HA   SER  12           HA       SER  12  13.803   2.909   8.043
   87   1HB   SER  12          1HB       SER  12  16.125   1.520   6.681
   88   2HB   SER  12          2HB       SER  12  15.825   3.258   6.736
   89    HG   SER  12           HG       SER  12  17.118   3.089   8.411
   90    H    MET  13           H        MET  13  12.838   3.758   6.316
   91    HA   MET  13           HA       MET  13  11.173   2.407   4.647
   92   1HB   MET  13          1HB       MET  13  12.581   5.021   4.207
   93   2HB   MET  13          2HB       MET  13  11.391   4.408   3.076
   94   1HG   MET  13          1HG       MET  13  10.950   5.162   5.947
   95   2HG   MET  13          2HG       MET  13  10.377   6.002   4.509
   96   1HE   MET  13          1HE       MET  13   7.912   6.078   5.463
   97   2HE   MET  13          2HE       MET  13   8.509   5.292   6.924
   98   3HE   MET  13          3HE       MET  13   7.080   4.660   6.106
   99    H    ASN  14           H        ASN  14  14.582   2.994   4.131
  100    HA   ASN  14           HA       ASN  14  14.863   2.609   1.431
  101   1HB   ASN  14          1HB       ASN  14  16.709   1.404   3.500
  102   2HB   ASN  14          2HB       ASN  14  17.117   1.842   1.848
  103   1HD2  ASN  14          1HD2      ASN  14  18.374   2.681   4.276
  104   2HD2  ASN  14          2HD2      ASN  14  18.239   4.411   4.340
  105    H    SER  15           H        SER  15  14.526   0.138   3.956
  106    HA   SER  15           HA       SER  15  14.814  -2.039   2.099
  107   1HB   SER  15          1HB       SER  15  15.490  -2.188   4.500
  108   2HB   SER  15          2HB       SER  15  13.788  -2.062   4.948
  109    HG   SER  15           HG       SER  15  14.569  -4.038   3.108
  110    H    ALA  16           H        ALA  16  12.158  -0.515   3.897
  111    HA   ALA  16           HA       ALA  16  10.163  -2.366   3.146
  112   1HB   ALA  16          1HB       ALA  16   9.950  -0.896   5.080
  113   2HB   ALA  16          2HB       ALA  16   8.579  -0.722   3.985
  114   3HB   ALA  16          3HB       ALA  16   9.849   0.500   4.010
  115    H    LEU  17           H        LEU  17  11.133   0.750   1.779
  116    HA   LEU  17           HA       LEU  17   9.007   0.886  -0.081
  117   1HB   LEU  17          1HB       LEU  17  11.703   2.255  -0.077
  118   2HB   LEU  17          2HB       LEU  17  10.385   2.661  -1.152
  119    HG   LEU  17           HG       LEU  17  10.370   2.953   1.846
  120   1HD1  LEU  17          1HD1      LEU  17  11.726   4.623   0.725
  121   2HD1  LEU  17          2HD1      LEU  17  10.244   5.346   1.353
  122   3HD1  LEU  17          3HD1      LEU  17  10.394   4.994  -0.370
  123   1HD2  LEU  17          1HD2      LEU  17   8.233   3.626  -0.177
  124   2HD2  LEU  17          2HD2      LEU  17   8.184   4.001   1.547
  125   3HD2  LEU  17          3HD2      LEU  17   8.165   2.320   1.007
  126    H    GLN  18           H        GLN  18  12.433  -0.083  -0.472
  127    HA   GLN  18           HA       GLN  18  12.208  -0.855  -3.156
  128   1HB   GLN  18          1HB       GLN  18  14.034  -1.923  -1.002
  129   2HB   GLN  18          2HB       GLN  18  14.207  -2.285  -2.714
  130   1HG   GLN  18          1HG       GLN  18  14.535   0.100  -3.174
  131   2HG   GLN  18          2HG       GLN  18  14.384   0.441  -1.451
  132   1HE2  GLN  18          1HE2      GLN  18  16.622   0.945  -3.248
  133   2HE2  GLN  18          2HE2      GLN  18  17.973   0.099  -2.573
  134    H    ALA  19           H        ALA  19  11.428  -2.563  -0.195
  135    HA   ALA  19           HA       ALA  19  10.989  -5.109  -1.348
  136   1HB   ALA  19          1HB       ALA  19  11.257  -4.784   1.062
  137   2HB   ALA  19          2HB       ALA  19   9.750  -5.621   0.691
  138   3HB   ALA  19          3HB       ALA  19   9.728  -3.909   1.115
  139    H    LEU  20           H        LEU  20   8.874  -2.307  -0.815
  140    HA   LEU  20           HA       LEU  20   6.474  -3.638  -1.588
  141   1HB   LEU  20          1HB       LEU  20   6.468  -1.651  -0.150
  142   2HB   LEU  20          2HB       LEU  20   7.157  -0.696  -1.448
  143    HG   LEU  20           HG       LEU  20   5.107  -1.060  -2.782
  144   1HD1  LEU  20          1HD1      LEU  20   4.423  -3.187  -1.792
  145   2HD1  LEU  20          2HD1      LEU  20   3.124  -1.995  -1.731
  146   3HD1  LEU  20          3HD1      LEU  20   4.053  -2.363  -0.277
  147   1HD2  LEU  20          1HD2      LEU  20   4.696   0.120  -0.038
  148   2HD2  LEU  20          2HD2      LEU  20   3.647   0.391  -1.429
  149   3HD2  LEU  20          3HD2      LEU  20   5.320   0.953  -1.460
  150    H    ALA  21           H        ALA  21   8.940  -1.754  -3.179
  151    HA   ALA  21           HA       ALA  21   7.622  -1.174  -5.585
  152   1HB   ALA  21          1HB       ALA  21  10.575  -1.573  -5.112
  153   2HB   ALA  21          2HB       ALA  21   9.690  -0.061  -4.912
  154   3HB   ALA  21          3HB       ALA  21   9.847  -0.784  -6.513
  155    H    LYS  22           H        LYS  22  10.104  -3.672  -5.024
  156    HA   LYS  22           HA       LYS  22   9.620  -4.988  -7.469
  157   1HB   LYS  22          1HB       LYS  22  11.006  -5.903  -4.955
  158   2HB   LYS  22          2HB       LYS  22  10.924  -6.879  -6.420
  159   1HG   LYS  22          1HG       LYS  22  12.227  -4.181  -6.105
  160   2HG   LYS  22          2HG       LYS  22  13.024  -5.733  -6.375
  161   1HD   LYS  22          1HD       LYS  22  11.903  -5.905  -8.562
  162   2HD   LYS  22          2HD       LYS  22  11.170  -4.322  -8.296
  163   1HE   LYS  22          1HE       LYS  22  13.460  -3.368  -8.107
  164   2HE   LYS  22          2HE       LYS  22  14.107  -4.949  -8.547
  165   1HZ   LYS  22          1HZ       LYS  22  12.855  -4.792 -10.648
  166   2HZ   LYS  22          2HZ       LYS  22  13.995  -3.556 -10.476
  167   3HZ   LYS  22          3HZ       LYS  22  12.354  -3.226 -10.218
  168    H    GLN  23           H        GLN  23   7.977  -5.176  -4.443
  169    HA   GLN  23           HA       GLN  23   6.841  -7.739  -4.716
  170   1HB   GLN  23          1HB       GLN  23   6.754  -5.680  -2.845
  171   2HB   GLN  23          2HB       GLN  23   5.096  -5.805  -3.423
  172   1HG   GLN  23          1HG       GLN  23   5.310  -7.213  -1.531
  173   2HG   GLN  23          2HG       GLN  23   5.191  -8.235  -2.960
  174   1HE2  GLN  23          1HE2      GLN  23   7.250  -7.112  -0.413
  175   2HE2  GLN  23          2HE2      GLN  23   8.517  -8.264  -0.650
  176    H    THR  24           H        THR  24   6.025  -4.604  -6.040
  177    HA   THR  24           HA       THR  24   3.754  -5.844  -7.450
  178    HB   THR  24           HB       THR  24   2.932  -3.440  -7.694
  179    HG1  THR  24           HG1      THR  24   4.592  -2.948  -5.438
  180   1HG2  THR  24          1HG2      THR  24   1.916  -3.414  -5.453
  181   2HG2  THR  24          2HG2      THR  24   3.067  -4.639  -4.925
  182   3HG2  THR  24          3HG2      THR  24   1.877  -5.028  -6.164
  183    H    ASP  25           H        ASP  25   6.783  -5.299  -7.955
  184    HA   ASP  25           HA       ASP  25   8.199  -4.705  -9.621
  185   1HB   ASP  25          1HB       ASP  25   6.817  -6.490 -10.720
  186   2HB   ASP  25          2HB       ASP  25   5.834  -5.218 -11.432
  187    H    THR  26           H        THR  26   7.094  -2.543  -8.355
  188    HA   THR  26           HA       THR  26   6.435  -0.652 -10.498
  189    HB   THR  26           HB       THR  26   5.795   0.851  -8.533
  190    HG1  THR  26           HG1      THR  26   5.333  -1.383  -6.965
  191   1HG2  THR  26          1HG2      THR  26   4.124  -0.221  -9.940
  192   2HG2  THR  26          2HG2      THR  26   3.606  -0.238  -8.253
  193   3HG2  THR  26          3HG2      THR  26   4.251  -1.705  -8.993
  194    H    GLN  27           H        GLN  27   7.153   1.703  -9.626
  195    HA   GLN  27           HA       GLN  27  10.030   1.528  -9.008
  196   1HB   GLN  27          1HB       GLN  27   9.414   2.081 -11.437
  197   2HB   GLN  27          2HB       GLN  27   8.809   3.609 -10.816
  198   1HG   GLN  27          1HG       GLN  27  11.033   3.938 -11.630
  199   2HG   GLN  27          2HG       GLN  27  11.051   4.066  -9.872
  200   1HE2  GLN  27          1HE2      GLN  27  10.861   1.081 -11.716
  201   2HE2  GLN  27          2HE2      GLN  27  12.403   0.468 -11.218
  202    H    LEU  28           H        LEU  28  10.684   2.820  -7.361
  203    HA   LEU  28           HA       LEU  28   8.752   4.825  -6.413
  204   1HB   LEU  28          1HB       LEU  28  10.666   3.194  -4.737
  205   2HB   LEU  28          2HB       LEU  28   9.578   4.429  -4.134
  206    HG   LEU  28           HG       LEU  28   8.841   1.734  -5.269
  207   1HD1  LEU  28          1HD1      LEU  28   8.410   3.025  -2.583
  208   2HD1  LEU  28          2HD1      LEU  28   9.545   1.725  -2.952
  209   3HD1  LEU  28          3HD1      LEU  28   7.808   1.439  -3.065
  210   1HD2  LEU  28          1HD2      LEU  28   7.274   3.412  -6.120
  211   2HD2  LEU  28          2HD2      LEU  28   6.998   3.983  -4.474
  212   3HD2  LEU  28          3HD2      LEU  28   6.514   2.352  -4.935
  213    H    LEU  29           H        LEU  29   9.444   6.833  -6.307
  214    HA   LEU  29           HA       LEU  29  12.333   7.337  -6.589
  215   1HB   LEU  29          1HB       LEU  29  10.543   8.126  -8.341
  216   2HB   LEU  29          2HB       LEU  29  10.206   9.376  -7.163
  217    HG   LEU  29           HG       LEU  29  11.735  10.118  -8.957
  218   1HD1  LEU  29          1HD1      LEU  29  11.850  11.241  -6.818
  219   2HD1  LEU  29          2HD1      LEU  29  13.462  11.108  -7.521
  220   3HD1  LEU  29          3HD1      LEU  29  12.976  10.029  -6.214
  221   1HD2  LEU  29          1HD2      LEU  29  14.039   9.273  -8.997
  222   2HD2  LEU  29          2HD2      LEU  29  12.864   8.022  -9.401
  223   3HD2  LEU  29          3HD2      LEU  29  13.601   8.054  -7.801
  224    H    TYR  30           H        TYR  30  13.243   7.914  -4.736
  225    HA   TYR  30           HA       TYR  30  11.975   9.830  -2.993
  226   1HB   TYR  30          1HB       TYR  30  12.086   8.398  -0.987
  227   2HB   TYR  30          2HB       TYR  30  10.971   7.746  -2.183
  228    HD1  TYR  30           HD1      TYR  30  11.603   5.727  -3.482
  229    HD2  TYR  30           HD2      TYR  30  14.040   7.192  -0.318
  230    HE1  TYR  30           HE1      TYR  30  12.777   3.571  -3.395
  231    HE2  TYR  30           HE2      TYR  30  15.223   5.040  -0.225
  232    HH   TYR  30           HH       TYR  30  14.976   2.704  -2.659
  233    H    SER  31           H        SER  31  13.421  10.734  -1.485
  234    HA   SER  31           HA       SER  31  16.248  10.195  -2.076
  235   1HB   SER  31          1HB       SER  31  14.987  12.653  -0.827
  236   2HB   SER  31          2HB       SER  31  16.683  12.467  -1.275
  237    HG   SER  31           HG       SER  31  14.461  12.945  -2.866
  238    HA   PRO  32           HA       PRO  32  16.199   7.997   1.820
  239   1HB   PRO  32          1HB       PRO  32  19.136   8.327   1.449
  240   2HB   PRO  32          2HB       PRO  32  18.201   6.869   1.803
  241   1HG   PRO  32          1HG       PRO  32  19.154   7.281  -0.637
  242   2HG   PRO  32          2HG       PRO  32  17.528   6.608  -0.408
  243   1HD   PRO  32          1HD       PRO  32  18.345   9.386  -1.159
  244   2HD   PRO  32          2HD       PRO  32  16.977   8.415  -1.743
  245    H    GLU  33           H        GLU  33  18.199  10.874   1.267
  246    HA   GLU  33           HA       GLU  33  18.668  11.342   4.061
  247   1HB   GLU  33          1HB       GLU  33  19.665  13.439   3.354
  248   2HB   GLU  33          2HB       GLU  33  20.223  12.133   2.315
  249   1HG   GLU  33          1HG       GLU  33  18.567  12.808   0.624
  250   2HG   GLU  33          2HG       GLU  33  18.097  14.160   1.655
  251    H    ASP  34           H        ASP  34  16.151  12.080   1.828
  252    HA   ASP  34           HA       ASP  34  15.212  14.375   3.371
  253   1HB   ASP  34          1HB       ASP  34  15.357  14.462   0.861
  254   2HB   ASP  34          2HB       ASP  34  14.067  13.266   0.802
  255    H    ILE  35           H        ILE  35  14.683  11.049   3.139
  256    HA   ILE  35           HA       ILE  35  11.963  11.208   4.204
  257    HB   ILE  35           HB       ILE  35  11.980   8.746   4.092
  258   1HG1  ILE  35          1HG1      ILE  35  14.781   9.119   3.011
  259   2HG1  ILE  35          2HG1      ILE  35  14.334   8.317   4.512
  260   1HG2  ILE  35          1HG2      ILE  35  11.202   9.971   2.161
  261   2HG2  ILE  35          2HG2      ILE  35  12.062   8.518   1.647
  262   3HG2  ILE  35          3HG2      ILE  35  12.848  10.094   1.542
  263   1HD1  ILE  35          1HD1      ILE  35  14.863   6.656   2.883
  264   2HD1  ILE  35          2HD1      ILE  35  13.762   7.382   1.710
  265   3HD1  ILE  35          3HD1      ILE  35  13.123   6.616   3.164
  266    H    GLY  36           H        GLY  36  14.918  11.622   5.379
  267   1HA   GLY  36          1HA       GLY  36  15.763  11.726   7.496
  268   2HA   GLY  36          2HA       GLY  36  14.111  11.530   8.050
  269    H    GLY  37           H        GLY  37  15.341   8.971   6.111
  270   1HA   GLY  37          1HA       GLY  37  15.702   6.758   6.605
  271   2HA   GLY  37          2HA       GLY  37  16.646   7.359   7.961
  272    H    LEU  38           H        LEU  38  13.172   7.598   7.296
  273    HA   LEU  38           HA       LEU  38  12.566   6.982  10.042
  274   1HB   LEU  38          1HB       LEU  38  10.756   7.395   7.656
  275   2HB   LEU  38          2HB       LEU  38  10.216   7.259   9.317
  276    HG   LEU  38           HG       LEU  38  11.993   9.456   8.253
  277   1HD1  LEU  38          1HD1      LEU  38   9.055   9.464   8.926
  278   2HD1  LEU  38          2HD1      LEU  38   9.767   9.623   7.320
  279   3HD1  LEU  38          3HD1      LEU  38  10.018  10.888   8.525
  280   1HD2  LEU  38          1HD2      LEU  38  10.648   9.111  10.929
  281   2HD2  LEU  38          2HD2      LEU  38  11.559  10.529  10.407
  282   3HD2  LEU  38          3HD2      LEU  38  12.378   8.979  10.609
  283    H    ARG  39           H        ARG  39  11.408   5.194  10.802
  284    HA   ARG  39           HA       ARG  39  11.725   2.786   9.227
  285   1HB   ARG  39          1HB       ARG  39  11.028   1.549  11.165
  286   2HB   ARG  39          2HB       ARG  39  12.198   2.745  11.673
  287   1HG   ARG  39          1HG       ARG  39   9.228   3.147  11.930
  288   2HG   ARG  39          2HG       ARG  39  10.213   2.403  13.188
  289   1HD   ARG  39          1HD       ARG  39  10.561   5.180  12.067
  290   2HD   ARG  39          2HD       ARG  39   9.854   4.773  13.630
  291    HE   ARG  39           HE       ARG  39  12.296   3.630  13.763
  292   1HH1  ARG  39          1HH1      ARG  39  11.206   6.855  12.949
  293   2HH1  ARG  39          2HH1      ARG  39  12.660   7.628  13.520
  294   1HH2  ARG  39          1HH2      ARG  39  14.223   4.638  14.484
  295   2HH2  ARG  39          2HH2      ARG  39  14.377   6.369  14.371
  296    H    SER  40           H        SER  40  10.112   1.527   8.450
  297    HA   SER  40           HA       SER  40   7.599   2.854   7.952
  298   1HB   SER  40          1HB       SER  40   7.191   0.688   6.635
  299   2HB   SER  40          2HB       SER  40   8.507   1.726   6.081
  300    HG   SER  40           HG       SER  40   8.592  -0.817   7.109
  301    H    SER  41           H        SER  41   5.560   1.944   8.418
  302    HA   SER  41           HA       SER  41   5.465   0.402  10.866
  303   1HB   SER  41          1HB       SER  41   3.911   2.308  10.524
  304   2HB   SER  41          2HB       SER  41   3.215   1.477   9.132
  305    HG   SER  41           HG       SER  41   1.965   1.165  11.019
  306    H    ALA  42           H        ALA  42   5.197  -1.729  10.938
  307    HA   ALA  42           HA       ALA  42   5.538  -3.325   8.684
  308   1HB   ALA  42          1HB       ALA  42   5.068  -5.211  10.155
  309   2HB   ALA  42          2HB       ALA  42   4.395  -4.114  11.361
  310   3HB   ALA  42          3HB       ALA  42   6.109  -4.033  10.953
  311    H    LEU  43           H        LEU  43   4.063  -2.994   7.068
  312    HA   LEU  43           HA       LEU  43   1.299  -3.801   7.683
  313   1HB   LEU  43          1HB       LEU  43   1.574  -1.429   6.889
  314   2HB   LEU  43          2HB       LEU  43   2.225  -2.068   5.392
  315    HG   LEU  43           HG       LEU  43   0.057  -3.251   5.016
  316   1HD1  LEU  43          1HD1      LEU  43  -0.849  -1.573   7.348
  317   2HD1  LEU  43          2HD1      LEU  43  -0.708  -3.332   7.324
  318   3HD1  LEU  43          3HD1      LEU  43  -1.889  -2.526   6.290
  319   1HD2  LEU  43          1HD2      LEU  43  -1.161  -1.238   4.333
  320   2HD2  LEU  43          2HD2      LEU  43   0.547  -1.155   3.900
  321   3HD2  LEU  43          3HD2      LEU  43  -0.054  -0.252   5.291
  322    H    LYS  44           H        LYS  44   1.986  -5.987   7.408
  323    HA   LYS  44           HA       LYS  44   2.405  -6.643   4.588
  324   1HB   LYS  44          1HB       LYS  44   3.697  -8.591   5.227
  325   2HB   LYS  44          2HB       LYS  44   4.415  -7.140   5.892
  326   1HG   LYS  44          1HG       LYS  44   3.585  -7.654   8.077
  327   2HG   LYS  44          2HG       LYS  44   2.679  -9.036   7.453
  328   1HD   LYS  44          1HD       LYS  44   4.768 -10.110   6.783
  329   2HD   LYS  44          2HD       LYS  44   5.681  -8.719   7.368
  330   1HE   LYS  44          1HE       LYS  44   3.931 -10.479   9.080
  331   2HE   LYS  44          2HE       LYS  44   5.683 -10.627   8.941
  332   1HZ   LYS  44          1HZ       LYS  44   4.140  -8.365  10.090
  333   2HZ   LYS  44          2HZ       LYS  44   5.794  -8.261   9.717
  334   3HZ   LYS  44          3HZ       LYS  44   5.258  -9.378  10.874
  335    H    GLY  45           H        GLY  45   0.859  -7.705   3.678
  336   1HA   GLY  45          1HA       GLY  45  -0.692  -9.764   4.680
  337   2HA   GLY  45          2HA       GLY  45  -1.530  -8.276   5.101
  338    H    ARG  46           H        ARG  46  -3.227  -9.054   3.719
  339    HA   ARG  46           HA       ARG  46  -2.619  -9.089   0.847
  340   1HB   ARG  46          1HB       ARG  46  -3.845 -11.020   1.606
  341   2HB   ARG  46          2HB       ARG  46  -5.032 -10.009   2.418
  342   1HG   ARG  46          1HG       ARG  46  -5.802  -9.172   0.263
  343   2HG   ARG  46          2HG       ARG  46  -4.594 -10.163  -0.557
  344   1HD   ARG  46          1HD       ARG  46  -5.640 -12.177   0.191
  345   2HD   ARG  46          2HD       ARG  46  -6.730 -11.278   1.246
  346    HE   ARG  46           HE       ARG  46  -7.368 -10.267  -1.143
  347   1HH1  ARG  46          1HH1      ARG  46  -6.918 -13.580  -0.108
  348   2HH1  ARG  46          2HH1      ARG  46  -8.096 -14.217  -1.210
  349   1HH2  ARG  46          1HH2      ARG  46  -8.894 -11.091  -2.607
  350   2HH2  ARG  46          2HH2      ARG  46  -9.216 -12.799  -2.652
  351    H    HIS  47           H        HIS  47  -2.702  -7.107  -0.023
  352    HA   HIS  47           HA       HIS  47  -5.033  -5.409   0.534
  353   1HB   HIS  47          1HB       HIS  47  -2.170  -4.426   0.682
  354   2HB   HIS  47          2HB       HIS  47  -3.605  -3.421   0.814
  355    HD1  HIS  47           HD1      HIS  47  -1.206  -5.205   2.818
  356    HD2  HIS  47           HD2      HIS  47  -5.205  -4.161   3.205
  357    HE1  HIS  47           HE1      HIS  47  -1.722  -5.420   5.269
  358    HE2  HIS  47           HE2      HIS  47  -4.192  -4.955   5.457
  359    H    ASP  48           H        ASP  48  -5.341  -3.726  -1.081
  360    HA   ASP  48           HA       ASP  48  -4.297  -4.443  -3.691
  361   1HB   ASP  48          1HB       ASP  48  -5.820  -2.741  -4.576
  362   2HB   ASP  48          2HB       ASP  48  -6.680  -3.826  -3.489
  363    H    LEU  49           H        LEU  49  -3.569  -2.533  -5.118
  364    HA   LEU  49           HA       LEU  49  -1.102  -1.724  -4.094
  365   1HB   LEU  49          1HB       LEU  49  -1.556  -1.997  -6.487
  366   2HB   LEU  49          2HB       LEU  49  -2.616  -0.600  -6.452
  367    HG   LEU  49           HG       LEU  49  -0.677   0.828  -5.863
  368   1HD1  LEU  49          1HD1      LEU  49   0.932  -1.682  -6.318
  369   2HD1  LEU  49          2HD1      LEU  49   0.691  -0.880  -4.768
  370   3HD1  LEU  49          3HD1      LEU  49   1.580  -0.063  -6.053
  371   1HD2  LEU  49          1HD2      LEU  49  -0.305  -0.827  -8.357
  372   2HD2  LEU  49          2HD2      LEU  49   0.373   0.774  -8.061
  373   3HD2  LEU  49          3HD2      LEU  49  -1.373   0.567  -8.192
  374    H    GLN  50           H        GLN  50  -3.979   0.275  -4.753
  375    HA   GLN  50           HA       GLN  50  -2.849   2.705  -3.949
  376   1HB   GLN  50          1HB       GLN  50  -5.740   1.836  -4.018
  377   2HB   GLN  50          2HB       GLN  50  -5.213   3.493  -3.762
  378   1HG   GLN  50          1HG       GLN  50  -4.608   1.849  -6.210
  379   2HG   GLN  50          2HG       GLN  50  -5.907   3.033  -6.080
  380   1HE2  GLN  50          1HE2      GLN  50  -5.099   4.314  -7.708
  381   2HE2  GLN  50          2HE2      GLN  50  -3.668   5.269  -7.526
  382    H    SER  51           H        SER  51  -4.854   0.396  -2.138
  383    HA   SER  51           HA       SER  51  -5.021   1.891   0.228
  384   1HB   SER  51          1HB       SER  51  -6.398  -0.117  -0.274
  385   2HB   SER  51          2HB       SER  51  -4.976  -1.127  -0.024
  386    HG   SER  51           HG       SER  51  -6.690  -0.225   1.792
  387    H    SER  52           H        SER  52  -2.600  -0.439  -0.865
  388    HA   SER  52           HA       SER  52  -1.118  -0.561   1.516
  389   1HB   SER  52          1HB       SER  52  -0.122  -0.909  -1.321
  390   2HB   SER  52          2HB       SER  52   0.668  -1.500   0.143
  391    HG   SER  52           HG       SER  52  -1.745  -2.357  -1.050
  392    H    LEU  53           H        LEU  53  -0.710   1.482  -1.376
  393    HA   LEU  53           HA       LEU  53   1.563   2.874  -0.454
  394   1HB   LEU  53          1HB       LEU  53  -0.589   3.764  -2.379
  395   2HB   LEU  53          2HB       LEU  53   0.956   4.559  -2.163
  396    HG   LEU  53           HG       LEU  53   0.598   1.734  -3.172
  397   1HD1  LEU  53          1HD1      LEU  53  -0.245   3.377  -4.766
  398   2HD1  LEU  53          2HD1      LEU  53   1.253   2.646  -5.342
  399   3HD1  LEU  53          3HD1      LEU  53   1.272   4.271  -4.658
  400   1HD2  LEU  53          1HD2      LEU  53   3.048   3.489  -3.035
  401   2HD2  LEU  53          2HD2      LEU  53   2.964   1.865  -3.718
  402   3HD2  LEU  53          3HD2      LEU  53   2.713   2.108  -1.990
  403    H    ARG  54           H        ARG  54  -1.884   3.589  -0.290
  404    HA   ARG  54           HA       ARG  54  -1.700   6.154   0.827
  405   1HB   ARG  54          1HB       ARG  54  -3.715   5.271  -0.247
  406   2HB   ARG  54          2HB       ARG  54  -3.904   4.100   1.047
  407   1HG   ARG  54          1HG       ARG  54  -4.395   5.828   2.627
  408   2HG   ARG  54          2HG       ARG  54  -4.003   7.080   1.443
  409   1HD   ARG  54          1HD       ARG  54  -5.852   6.404   0.052
  410   2HD   ARG  54          2HD       ARG  54  -6.210   5.052   1.124
  411    HE   ARG  54           HE       ARG  54  -6.656   6.863   2.842
  412   1HH1  ARG  54          1HH1      ARG  54  -7.019   7.455  -0.583
  413   2HH1  ARG  54          2HH1      ARG  54  -8.365   8.540  -0.389
  414   1HH2  ARG  54          1HH2      ARG  54  -8.399   8.304   3.112
  415   2HH2  ARG  54          2HH2      ARG  54  -9.135   9.041   1.724
  416    H    ILE  55           H        ILE  55  -2.139   2.980   2.393
  417    HA   ILE  55           HA       ILE  55  -2.338   4.114   5.008
  418    HB   ILE  55           HB       ILE  55  -1.846   1.250   4.182
  419   1HG1  ILE  55          1HG1      ILE  55  -4.362   2.670   5.082
  420   2HG1  ILE  55          2HG1      ILE  55  -3.999   2.191   3.428
  421   1HG2  ILE  55          1HG2      ILE  55  -2.542   0.666   6.468
  422   2HG2  ILE  55          2HG2      ILE  55  -2.591   2.380   6.880
  423   3HG2  ILE  55          3HG2      ILE  55  -1.057   1.620   6.456
  424   1HD1  ILE  55          1HD1      ILE  55  -4.016  -0.156   4.113
  425   2HD1  ILE  55          2HD1      ILE  55  -5.546   0.644   4.472
  426   3HD1  ILE  55          3HD1      ILE  55  -4.389   0.337   5.766
  427    H    LEU  56           H        LEU  56   0.322   2.783   3.121
  428    HA   LEU  56           HA       LEU  56   2.118   2.465   5.284
  429   1HB   LEU  56          1HB       LEU  56   2.210   1.496   2.885
  430   2HB   LEU  56          2HB       LEU  56   2.992   3.006   2.464
  431    HG   LEU  56           HG       LEU  56   4.070   1.232   4.646
  432   1HD1  LEU  56          1HD1      LEU  56   5.595   0.279   2.991
  433   2HD1  LEU  56          2HD1      LEU  56   4.747   1.146   1.712
  434   3HD1  LEU  56          3HD1      LEU  56   3.914  -0.113   2.620
  435   1HD2  LEU  56          1HD2      LEU  56   5.344   3.319   2.875
  436   2HD2  LEU  56          2HD2      LEU  56   6.177   2.369   4.106
  437   3HD2  LEU  56          3HD2      LEU  56   4.925   3.518   4.578
  438    H    LEU  57           H        LEU  57   1.694   5.098   2.921
  439    HA   LEU  57           HA       LEU  57   3.745   6.683   4.166
  440   1HB   LEU  57          1HB       LEU  57   1.812   7.185   1.935
  441   2HB   LEU  57          2HB       LEU  57   2.750   8.497   2.612
  442    HG   LEU  57           HG       LEU  57   3.860   7.733   0.644
  443   1HD1  LEU  57          1HD1      LEU  57   5.266   6.708   3.098
  444   2HD1  LEU  57          2HD1      LEU  57   5.314   8.353   2.467
  445   3HD1  LEU  57          3HD1      LEU  57   6.031   7.031   1.543
  446   1HD2  LEU  57          1HD2      LEU  57   2.867   5.514   0.462
  447   2HD2  LEU  57          2HD2      LEU  57   3.815   4.964   1.843
  448   3HD2  LEU  57          3HD2      LEU  57   4.626   5.429   0.348
  449    H    GLN  58           H        GLN  58   0.321   6.344   4.463
  450    HA   GLN  58           HA       GLN  58  -0.465   8.669   5.712
  451   1HB   GLN  58          1HB       GLN  58  -1.961   6.799   5.141
  452   2HB   GLN  58          2HB       GLN  58  -1.260   5.847   6.442
  453   1HG   GLN  58          1HG       GLN  58  -2.080   7.509   8.061
  454   2HG   GLN  58          2HG       GLN  58  -2.847   8.384   6.736
  455   1HE2  GLN  58          1HE2      GLN  58  -2.640   4.908   6.900
  456   2HE2  GLN  58          2HE2      GLN  58  -4.330   4.616   7.141
  457    H    GLY  59           H        GLY  59   0.650   9.701   7.259
  458   1HA   GLY  59          1HA       GLY  59   1.116  10.038   9.542
  459   2HA   GLY  59          2HA       GLY  59   1.066   8.298   9.785
  460    H    THR  60           H        THR  60   2.970  10.739   8.018
  461    HA   THR  60           HA       THR  60   5.426   9.492   8.957
  462    HB   THR  60           HB       THR  60   6.403   9.583   6.633
  463    HG1  THR  60           HG1      THR  60   3.798   9.356   5.604
  464   1HG2  THR  60          1HG2      THR  60   5.768   7.451   7.690
  465   2HG2  THR  60          2HG2      THR  60   5.523   7.419   5.944
  466   3HG2  THR  60          3HG2      THR  60   4.144   7.616   7.023
  467    H    GLY  61           H        GLY  61   3.764  12.126   7.324
  468   1HA   GLY  61          1HA       GLY  61   4.324  14.411   7.618
  469   2HA   GLY  61          2HA       GLY  61   5.964  13.926   8.028
  470    H    LEU  62           H        LEU  62   4.823  12.160   5.438
  471    HA   LEU  62           HA       LEU  62   6.211  13.918   3.522
  472   1HB   LEU  62          1HB       LEU  62   6.002  10.909   3.387
  473   2HB   LEU  62          2HB       LEU  62   6.988  11.949   2.378
  474    HG   LEU  62           HG       LEU  62   7.411  11.497   5.336
  475   1HD1  LEU  62          1HD1      LEU  62   9.384  10.235   4.647
  476   2HD1  LEU  62          2HD1      LEU  62   8.928  10.439   2.956
  477   3HD1  LEU  62          3HD1      LEU  62   7.903   9.496   4.037
  478   1HD2  LEU  62          1HD2      LEU  62   9.103  12.945   3.306
  479   2HD2  LEU  62          2HD2      LEU  62   9.513  12.672   4.999
  480   3HD2  LEU  62          3HD2      LEU  62   8.145  13.702   4.578
  481    H    ARG  63           H        ARG  63   5.490  13.687   1.272
  482    HA   ARG  63           HA       ARG  63   2.620  13.024   1.090
  483   1HB   ARG  63          1HB       ARG  63   4.213  15.128  -0.391
  484   2HB   ARG  63          2HB       ARG  63   2.571  14.670  -0.816
  485   1HG   ARG  63          1HG       ARG  63   1.810  15.392   1.401
  486   2HG   ARG  63          2HG       ARG  63   3.458  15.875   1.798
  487   1HD   ARG  63          1HD       ARG  63   3.421  17.489  -0.051
  488   2HD   ARG  63          2HD       ARG  63   1.770  17.003  -0.436
  489    HE   ARG  63           HE       ARG  63   1.795  17.752   2.241
  490   1HH1  ARG  63          1HH1      ARG  63   2.319  19.292  -0.884
  491   2HH1  ARG  63          2HH1      ARG  63   1.788  20.848  -0.320
  492   1HH2  ARG  63          1HH2      ARG  63   1.091  19.792   2.942
  493   2HH2  ARG  63          2HH2      ARG  63   1.103  21.134   1.840
  494    H    TYR  64           H        TYR  64   2.080  11.469  -0.286
  495    HA   TYR  64           HA       TYR  64   4.174  10.404  -2.038
  496   1HB   TYR  64          1HB       TYR  64   2.935   8.318  -2.063
  497   2HB   TYR  64          2HB       TYR  64   3.193   8.833  -0.402
  498    HD1  TYR  64           HD1      TYR  64   1.263   9.838   0.873
  499    HD2  TYR  64           HD2      TYR  64   0.762   7.977  -2.919
  500    HE1  TYR  64           HE1      TYR  64  -1.143   9.596   1.316
  501    HE2  TYR  64           HE2      TYR  64  -1.647   7.741  -2.493
  502    HH   TYR  64           HH       TYR  64  -3.233   9.330   0.082
  503    H    GLN  65           H        GLN  65   3.822   9.993  -4.184
  504    HA   GLN  65           HA       GLN  65   1.322  10.983  -5.377
  505   1HB   GLN  65          1HB       GLN  65   4.119  11.622  -6.338
  506   2HB   GLN  65          2HB       GLN  65   2.653  11.963  -7.243
  507   1HG   GLN  65          1HG       GLN  65   1.918  13.488  -5.491
  508   2HG   GLN  65          2HG       GLN  65   3.380  13.135  -4.568
  509   1HE2  GLN  65          1HE2      GLN  65   5.020  12.991  -6.983
  510   2HE2  GLN  65          2HE2      GLN  65   5.266  14.623  -7.502
  511    H    ILE  66           H        ILE  66   0.469   9.517  -6.746
  512    HA   ILE  66           HA       ILE  66   2.237   7.354  -7.653
  513    HB   ILE  66           HB       ILE  66   0.354   6.505  -6.428
  514   1HG1  ILE  66          1HG1      ILE  66  -0.092   6.057  -9.389
  515   2HG1  ILE  66          2HG1      ILE  66   1.131   5.244  -8.420
  516   1HG2  ILE  66          1HG2      ILE  66  -1.387   8.021  -8.366
  517   2HG2  ILE  66          2HG2      ILE  66  -1.183   8.356  -6.646
  518   3HG2  ILE  66          3HG2      ILE  66  -1.967   6.865  -7.167
  519   1HD1  ILE  66          1HD1      ILE  66  -0.619   4.212  -7.076
  520   2HD1  ILE  66          2HD1      ILE  66  -0.806   3.826  -8.787
  521   3HD1  ILE  66          3HD1      ILE  66  -1.845   5.037  -8.037
  522    H    ASP  67           H        ASP  67   2.868   7.272  -9.652
  523    HA   ASP  67           HA       ASP  67   1.246   8.565 -11.742
  524   1HB   ASP  67          1HB       ASP  67   4.241   8.688 -11.354
  525   2HB   ASP  67          2HB       ASP  67   3.466   9.077 -12.885
  526    H    GLY  68           H        GLY  68   0.350   6.652 -12.434
  527   1HA   GLY  68          1HA       GLY  68   0.208   4.712 -13.657
  528   2HA   GLY  68          2HA       GLY  68   1.827   5.062 -14.241
  529    H    ASN  69           H        ASN  69   3.536   3.946 -13.435
  530    HA   ASN  69           HA       ASN  69   2.976   2.043 -11.249
  531   1HB   ASN  69          1HB       ASN  69   4.578   0.501 -12.249
  532   2HB   ASN  69          2HB       ASN  69   3.331   0.909 -13.422
  533   1HD2  ASN  69          1HD2      ASN  69   6.678   1.159 -12.593
  534   2HD2  ASN  69          2HD2      ASN  69   7.215   1.828 -14.097
  535    H    THR  70           H        THR  70   4.278   4.859 -11.708
  536    HA   THR  70           HA       THR  70   6.686   4.323 -10.094
  537    HB   THR  70           HB       THR  70   6.069   6.799 -11.727
  538    HG1  THR  70           HG1      THR  70   6.824   4.438 -12.596
  539   1HG2  THR  70          1HG2      THR  70   8.447   7.323 -11.376
  540   2HG2  THR  70          2HG2      THR  70   8.607   5.893 -10.356
  541   3HG2  THR  70          3HG2      THR  70   7.573   7.227  -9.848
  542    H    VAL  71           H        VAL  71   6.890   5.339  -8.130
  543    HA   VAL  71           HA       VAL  71   4.653   7.069  -7.300
  544    HB   VAL  71           HB       VAL  71   5.973   5.014  -5.518
  545   1HG1  VAL  71          1HG1      VAL  71   3.519   6.722  -5.123
  546   2HG1  VAL  71          2HG1      VAL  71   5.073   6.912  -4.309
  547   3HG1  VAL  71          3HG1      VAL  71   4.090   5.478  -4.012
  548   1HG2  VAL  71          1HG2      VAL  71   3.315   4.856  -6.941
  549   2HG2  VAL  71          2HG2      VAL  71   3.872   3.734  -5.698
  550   3HG2  VAL  71          3HG2      VAL  71   4.733   3.845  -7.234
  551    H    THR  72           H        THR  72   5.226   8.858  -6.164
  552    HA   THR  72           HA       THR  72   8.124   9.248  -5.770
  553    HB   THR  72           HB       THR  72   6.072  11.429  -6.181
  554    HG1  THR  72           HG1      THR  72   6.724   9.683  -7.965
  555   1HG2  THR  72          1HG2      THR  72   8.167  12.138  -5.146
  556   2HG2  THR  72          2HG2      THR  72   8.050  12.761  -6.790
  557   3HG2  THR  72          3HG2      THR  72   9.084  11.376  -6.445
  558    H    VAL  73           H        VAL  73   8.829   9.700  -3.768
  559    HA   VAL  73           HA       VAL  73   6.827  10.430  -1.726
  560    HB   VAL  73           HB       VAL  73   9.395   8.886  -1.302
  561   1HG1  VAL  73          1HG1      VAL  73   8.571   8.532   0.970
  562   2HG1  VAL  73          2HG1      VAL  73   7.166   9.538   0.622
  563   3HG1  VAL  73          3HG1      VAL  73   8.779  10.250   0.626
  564   1HG2  VAL  73          1HG2      VAL  73   7.944   6.966  -0.826
  565   2HG2  VAL  73          2HG2      VAL  73   7.757   7.535  -2.483
  566   3HG2  VAL  73          3HG2      VAL  73   6.535   7.929  -1.275
  567    H    THR  74           H        THR  74   7.027  12.510  -1.290
  568    HA   THR  74           HA       THR  74   9.729  13.614  -0.872
  569    HB   THR  74           HB       THR  74   8.815  14.417  -3.029
  570    HG1  THR  74           HG1      THR  74   8.844  16.783  -2.286
  571   1HG2  THR  74          1HG2      THR  74   6.905  15.960  -3.041
  572   2HG2  THR  74          2HG2      THR  74   6.635  15.636  -1.328
  573   3HG2  THR  74          3HG2      THR  74   6.436  14.346  -2.515
  574    H    ALA  75           H        ALA  75   9.860  15.302   0.712
  575    HA   ALA  75           HA       ALA  75   8.135  14.875   2.934
  576   1HB   ALA  75          1HB       ALA  75  10.513  15.343   3.225
  577   2HB   ALA  75          2HB       ALA  75   9.522  16.538   4.066
  578   3HB   ALA  75          3HB       ALA  75  10.286  16.948   2.529
  579    H    SER  76           H        SER  76   6.554  16.149   3.781
  580    HA   SER  76           HA       SER  76   5.197  17.969   2.087
  581   1HB   SER  76          1HB       SER  76   4.867  17.624   5.076
  582   2HB   SER  76          2HB       SER  76   3.683  18.284   3.948
  583    HG   SER  76           HG       SER  76   3.120  16.182   4.263
  584    H    ALA  77           H        ALA  77   6.459  19.698   1.518
  585    HA   ALA  77           HA       ALA  77   7.015  21.625   3.664
  586   1HB   ALA  77          1HB       ALA  77   8.911  20.969   1.409
  587   2HB   ALA  77          2HB       ALA  77   9.129  20.524   3.100
  588   3HB   ALA  77          3HB       ALA  77   9.144  22.223   2.627
  589    H    ALA  78           H        ALA  78   4.805  21.457   1.858
  590    HA   ALA  78           HA       ALA  78   5.131  24.008   0.460
  591   1HB   ALA  78          1HB       ALA  78   4.005  21.532  -0.851
  592   2HB   ALA  78          2HB       ALA  78   5.545  22.300  -1.236
  593   3HB   ALA  78          3HB       ALA  78   4.034  23.148  -1.553
  594    H    ALA  79           H        ALA  79   3.858  24.857   2.152
  595    HA   ALA  79           HA       ALA  79   1.058  23.938   2.175
  596   1HB   ALA  79          1HB       ALA  79   2.567  25.333   4.385
  597   2HB   ALA  79          2HB       ALA  79   2.215  23.608   4.314
  598   3HB   ALA  79          3HB       ALA  79   0.897  24.771   4.454
  599    H    LYS  80           H        LYS  80   2.472  25.971   0.443
  600    HA   LYS  80           HA       LYS  80   0.928  28.348   1.191
  601   1HB   LYS  80          1HB       LYS  80   3.064  28.021  -0.925
  602   2HB   LYS  80          2HB       LYS  80   2.227  29.521  -0.552
  603   1HG   LYS  80          1HG       LYS  80   4.080  27.986   1.253
  604   2HG   LYS  80          2HG       LYS  80   4.394  29.536   0.474
  605   1HD   LYS  80          1HD       LYS  80   2.561  30.540   1.771
  606   2HD   LYS  80          2HD       LYS  80   2.289  28.989   2.569
  607   1HE   LYS  80          1HE       LYS  80   4.815  30.634   2.685
  608   2HE   LYS  80          2HE       LYS  80   3.620  30.474   3.972
  609   1HZ   LYS  80          1HZ       LYS  80   5.089  28.160   2.843
  610   2HZ   LYS  80          2HZ       LYS  80   4.177  28.208   4.269
  611   3HZ   LYS  80          3HZ       LYS  80   5.649  29.038   4.176
  612    H    ASP  81           H        ASP  81   1.802  26.973  -1.978
  613    HA   ASP  81           HA       ASP  81  -0.917  27.548  -2.876
  614   1HB   ASP  81          1HB       ASP  81   1.067  28.293  -4.232
  615   2HB   ASP  81          2HB       ASP  81   1.423  26.595  -4.540
  616    H    GLY  82           H        GLY  82  -1.531  25.752  -1.363
  617   1HA   GLY  82          1HA       GLY  82  -2.332  23.508  -2.856
  618   2HA   GLY  82          2HA       GLY  82  -0.950  23.067  -1.857