*HEADER    STRUCTURAL PROTEIN                      25-OCT-06   2JM8              
*TITLE     R21A SPC-SH3 FREE                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SPECTRIN ALPHA CHAIN, BRAIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3 DOMAIN, RESIDUES 965-1025;                             
*COMPND   5 SYNONYM: SPECTRIN, NON-ERYTHROID ALPHA CHAIN, FODRIN ALPHA           
*COMPND   6 CHAIN, ALPHA SPECTRIN;                                               
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   3 ORGANISM_COMMON: CHICKEN;                                            
*SOURCE   4 GENE: SPTAN1, SPTA2;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET3D                                     
*KEYWDS    SH3 DOMAIN, B-BARREL                                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.A.J.VAN NULAND, S.CASARES, E.AB, H.ESHUIS, O.LOPEZ-                 
*AUTHOR   2 MAYORGA, F.CONEJERO-LARA                                             
*REVDAT   1   24-APR-07 2JM8    0                                                


 ASSI {    2}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10175E-02 ppm1      9.522 ppm2      8.689 CV     1
 ASSI {    3}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      5.100     1.300     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.16988E-03 ppm1      9.521 ppm2      7.609 CV     1
 ASSI {    5}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      5.200     1.400     0.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.20667E-03 ppm1      9.522 ppm2      8.108 CV     1
 ASSI {    7}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.91386E-03 ppm1      9.465 ppm2      8.738 CV     1
 ASSI {   10}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.200     0.500     0.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11385E-02 ppm1      9.381 ppm2      8.631 CV     1
 ASSI {   11}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.200     0.500     0.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      9.362 ppm2      9.172 CV     1
 ASSI {   12}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     0.500     0.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.11800E-02 ppm1      9.332 ppm2      9.077 CV     1
 ASSI {   13}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.800     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.52530E-03 ppm1      9.333 ppm2      7.469 CV     1
 ASSI {   16}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HD1 ))
      2.500     0.300     0.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.54463E-02 ppm1      9.305 ppm2      7.560 CV     1
 ASSI {   17}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HH2 ))
      5.500     1.500     0.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.14847E-03 ppm1      9.306 ppm2      7.224 CV     1
 ASSI {   18}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      5.400     1.400     0.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.12283E-03 ppm1      9.257 ppm2      8.516 CV     1
 ASSI {   19}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.65880E-03 ppm1      9.258 ppm2      7.449 CV     1
 ASSI {   21}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.300     0.300 peak    21 spectrum    1 weight  0.10000E+01 volume  0.31578E-02 ppm1      9.257 ppm2      7.101 CV     1
 ASSI {   23}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.100     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.71958E-03 ppm1      9.256 ppm2      9.087 CV     1
 ASSI {   24}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.100     0.800     0.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.67631E-03 ppm1      9.256 ppm2      8.646 CV     1
 ASSI {   26}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD% )
      3.200     0.500     0.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      9.256 ppm2      7.168 CV     1
 ASSI {   28}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     0.600     0.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.97003E-03 ppm1      9.168 ppm2      9.034 CV     1
 ASSI {   29}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     2.600     3.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      9.136 ppm2      8.203 CV     1
 ASSI {   30}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.500     1.000     1.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.23392E-03 ppm1      9.136 ppm2      7.653 CV     1
 ASSI {   31}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.300     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.28405E-03 ppm1      9.089 ppm2      8.860 CV     1
 ASSI {   32}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.300     0.900     0.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.28511E-03 ppm1      9.088 ppm2      8.460 CV     1
 ASSI {   37}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.800     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.95576E-03 ppm1      9.075 ppm2      9.381 CV     1
 ASSI {   38}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.10409E-02 ppm1      9.070 ppm2      8.965 CV     1
 ASSI {   39}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     2.500     3.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.28351E-02 ppm1      9.067 ppm2      7.650 CV     1
 ASSI {   42}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.400     1.000     1.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.24820E-03 ppm1      9.026 ppm2      9.261 CV     1
 ASSI {   44}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     0.400     0.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.19295E-02 ppm1      9.025 ppm2      8.652 CV     1
 ASSI {   45}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.500     1.000     1.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.28355E-03 ppm1      9.024 ppm2      8.516 CV     1
 ASSI {   47}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.700     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.17918E-03 ppm1      8.958 ppm2      9.382 CV     1
 ASSI {   48}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     0.400     0.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.94886E-03 ppm1      8.959 ppm2      7.650 CV     1
 ASSI {   49}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HD1 ))
      5.400     1.400     0.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.39445E-03 ppm1      8.960 ppm2      7.561 CV     1
 ASSI {   53}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.700     1.100     1.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.25225E-03 ppm1      8.909 ppm2      8.697 CV     1
 ASSI {   54}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     0.500     0.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.11068E-02 ppm1      8.909 ppm2      8.182 CV     1
 ASSI {   56}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.900     1.200     1.100 peak    56 spectrum    1 weight  0.10000E+01 volume  0.19272E-03 ppm1      8.907 ppm2      9.467 CV     1
 ASSI {   57}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     0.400     0.400 peak    57 spectrum    1 weight  0.10000E+01 volume  0.22398E-02 ppm1      8.858 ppm2      8.459 CV     1
 ASSI {   63}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.500     1.000     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.39772E-03 ppm1      8.734 ppm2      8.909 CV     1
 ASSI {   64}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.600     1.100     1.100 peak    64 spectrum    1 weight  0.10000E+01 volume  0.31220E-03 ppm1      8.734 ppm2      8.321 CV     1
 ASSI {   66}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     2.500     3.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.36536E-02 ppm1      8.734 ppm2      8.186 CV     1
 ASSI {   67}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      5.800     1.700     0.200 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13991E-03 ppm1      8.728 ppm2      7.932 CV     1
 ASSI {   69}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.100     0.800     0.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.60541E-03 ppm1      8.693 ppm2      9.065 CV     1
 ASSI {   70}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     0.500     0.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      8.694 ppm2      8.457 CV     1
 ASSI {   73}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.300     0.900     0.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.77161E-03 ppm1      8.687 ppm2      8.842 CV     1
 ASSI {   74}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      5.000     1.300     1.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.23540E-03 ppm1      8.686 ppm2      7.352 CV     1
 ASSI {   75}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      5.100     1.300     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.22200E-03 ppm1      8.687 ppm2      8.413 CV     1
 ASSI {   79}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.100     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.56350E-03 ppm1      8.632 ppm2      9.261 CV     1
 ASSI {   81}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.700     0.700     0.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.58746E-03 ppm1      8.637 ppm2      8.245 CV     1
 ASSI {   85}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     3.500     2.500 peak    85 spectrum    1 weight  0.10000E+01 volume  0.17439E-02 ppm1      8.547 ppm2      8.632 CV     1
 ASSI {   89}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.500     1.000     1.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.42502E-03 ppm1      8.508 ppm2      8.729 CV     1
 ASSI {   90}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     0.400     0.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.21270E-02 ppm1      8.508 ppm2      8.332 CV     1
 ASSI {   91}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     0.400     0.400 peak    91 spectrum    1 weight  0.10000E+01 volume  0.20059E-02 ppm1      8.510 ppm2      8.081 CV     1
 ASSI {   92}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      5.300     1.400     0.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.12366E-03 ppm1      8.509 ppm2      7.934 CV     1
 ASSI {   93}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HD22))
      5.500     1.500     0.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.77667E-04 ppm1      8.508 ppm2      7.280 CV     1
 ASSI {   94}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      5.300     1.400     0.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.13056E-03 ppm1      8.457 ppm2      9.036 CV     1
 ASSI {   95}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      5.000     1.300     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.16551E-03 ppm1      8.454 ppm2      9.365 CV     1
 ASSI {   98}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.000     0.800     0.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.92031E-03 ppm1      8.455 ppm2      8.198 CV     1
 ASSI {  100}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.500     0.600     0.600 peak   100 spectrum    1 weight  0.10000E+01 volume  0.74812E-03 ppm1      8.451 ppm2      8.641 CV     1
 ASSI {  101}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.400     0.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.26242E-02 ppm1      8.445 ppm2      7.780 CV     1
 ASSI {  103}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.500     0.600     0.600 peak   103 spectrum    1 weight  0.10000E+01 volume  0.90005E-03 ppm1      8.445 ppm2      8.242 CV     1
 ASSI {  104}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.95300E-03 ppm1      8.445 ppm2      8.036 CV     1
 ASSI {  106}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.100     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.48203E-03 ppm1      8.410 ppm2      8.843 CV     1
 ASSI {  109}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      5.200     1.300     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.15529E-03 ppm1      8.410 ppm2      7.102 CV     1
 ASSI {  110}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD% )
      5.400     1.500     0.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.21325E-03 ppm1      8.410 ppm2      6.672 CV     1
 ASSI {  111}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.100     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.57733E-03 ppm1      8.358 ppm2      8.843 CV     1
 ASSI {  113}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.500     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.65190E-03 ppm1      8.356 ppm2      8.670 CV     1
 ASSI {  115}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      5.300     1.400     0.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.19143E-03 ppm1      8.349 ppm2      9.172 CV     1
 ASSI {  117}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.300     0.300 peak   117 spectrum    1 weight  0.10000E+01 volume  0.45743E-02 ppm1      8.328 ppm2      8.092 CV     1
 ASSI {  118}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      5.100     1.300     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.24054E-03 ppm1      8.329 ppm2      7.052 CV     1
 ASSI {  123}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.300     0.300 peak   123 spectrum    1 weight  0.10000E+01 volume  0.33285E-02 ppm1      8.200 ppm2      8.731 CV     1
 ASSI {  125}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HD22))
      4.700     1.100     1.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12656E-03 ppm1      8.200 ppm2      7.216 CV     1
 ASSI {  127}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.800     1.200     1.200 peak   127 spectrum    1 weight  0.10000E+01 volume  0.21081E-03 ppm1      8.191 ppm2      9.365 CV     1
 ASSI {  130}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.300     0.900     0.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.34418E-03 ppm1      8.180 ppm2      8.548 CV     1
 ASSI {  132}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.200     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.61737E-03 ppm1      8.106 ppm2      8.444 CV     1
 ASSI {  138}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      3.400     3.400     2.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.64086E-03 ppm1      8.086 ppm2      7.939 CV     1
 ASSI {  140}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.800     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.61737E-03 ppm1      8.033 ppm2      8.671 CV     1
 ASSI {  143}
   (( segid "    " and resid 35   and name HD21))
   (( segid "    " and resid 42   and name HD1 ))
      5.000     1.300     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.28263E-03 ppm1      7.942 ppm2      7.556 CV     1
 ASSI {  144}
   (( segid "    " and resid 35   and name HD21))
   (( segid "    " and resid 35   and name HD22))
      1.600     0.100     0.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.17412E-01 ppm1      7.942 ppm2      7.216 CV     1
 ASSI {  145}
   (( segid "    " and resid 35   and name HD21))
   (( segid "    " and resid 37   and name HN  ))
      4.300     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.19092E-03 ppm1      7.940 ppm2      8.203 CV     1
 ASSI {  150}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 41   and name HD1 ))
      5.500     1.500     0.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.15354E-03 ppm1      7.932 ppm2      7.052 CV     1
 ASSI {  151}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HD22))
      1.800     0.200     0.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.14323E-01 ppm1      7.931 ppm2      7.281 CV     1
 ASSI {  153}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     0.300     0.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.50320E-02 ppm1      7.827 ppm2      7.749 CV     1
 ASSI {  158}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.400     2.400     3.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.38185E-02 ppm1      7.743 ppm2      7.452 CV     1
 ASSI {  160}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      5.200     1.300     0.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.16914E-03 ppm1      7.677 ppm2      8.691 CV     1
 ASSI {  161}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     0.800     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.49630E-03 ppm1      7.677 ppm2      8.104 CV     1
 ASSI {  166}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HD22))
      1.800     0.200     0.400 peak   166 spectrum    1 weight  0.10000E+01 volume  0.17854E-01 ppm1      7.639 ppm2      7.026 CV     1
 ASSI {  168}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.500     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.20993E-03 ppm1      7.608 ppm2      8.108 CV     1
 ASSI {  169}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     0.700     0.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.11233E-02 ppm1      7.607 ppm2      7.453 CV     1
 ASSI {  174}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.39009E-03 ppm1      7.559 ppm2      8.731 CV     1
 ASSI {  175}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 40   and name HN  ))
      5.300     1.400     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.72926E-04 ppm1      7.559 ppm2      8.332 CV     1
 ASSI {  176}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     3.700     2.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10078E-03 ppm1      7.558 ppm2      8.205 CV     1
 ASSI {  177}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 41   and name HN  ))
      4.000     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.42180E-03 ppm1      7.559 ppm2      8.092 CV     1
 ASSI {  178}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 35   and name HD22))
      2.500     2.500     3.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.61737E-02 ppm1      7.556 ppm2      7.223 CV     1
 ASSI {  181}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 38   and name HD21))
      4.500     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.25974E-03 ppm1      7.555 ppm2      7.944 CV     1
 ASSI {  186}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     0.400     0.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.20961E-02 ppm1      7.467 ppm2      7.828 CV     1
 ASSI {  187}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HE3 ))
      4.700     1.100     1.100 peak   187 spectrum    1 weight  0.10000E+01 volume  0.31761E-03 ppm1      7.465 ppm2      7.089 CV     1
 ASSI {  188}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HD% )
      3.400     3.400     2.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.15174E-03 ppm1      7.447 ppm2      6.736 CV     1
 ASSI {  190}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.500     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.29615E-03 ppm1      7.445 ppm2      8.646 CV     1
 ASSI {  193}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      2.400     2.400     3.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.59436E-02 ppm1      7.453 ppm2      7.355 CV     1
 ASSI {  195}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.000     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.90236E-03 ppm1      7.449 ppm2      7.791 CV     1
 ASSI {  196}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 41   and name HE3 ))
      2.700     2.700     3.300 peak   196 spectrum    1 weight  0.10000E+01 volume  0.65374E-03 ppm1      7.437 ppm2      7.087 CV     1
 ASSI {  197}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HN  ))
      4.300     0.900     0.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.37038E-03 ppm1      7.435 ppm2      8.962 CV     1
 ASSI {  198}
   (  segid "    " and resid 52   and name HE% )
   (  segid "    " and resid 52   and name HD% )
      2.100     0.200     0.200 peak   198 spectrum    1 weight  0.10000E+01 volume  0.98798E-02 ppm1      7.434 ppm2      7.168 CV     1
 ASSI {  200}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 41   and name HE1 ))
      3.100     0.500     0.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.18604E-02 ppm1      7.387 ppm2     10.026 CV     1
 ASSI {  201}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 41   and name HE3 ))
      5.000     1.200     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.13871E-03 ppm1      7.388 ppm2      7.089 CV     1
 ASSI {  203}
   (( segid "    " and resid 41   and name HZ2 ))
   (  segid "    " and resid 15   and name HE% )
      4.900     1.200     1.100 peak   203 spectrum    1 weight  0.10000E+01 volume  0.28600E-03 ppm1      7.388 ppm2      6.964 CV     1
 ASSI {  205}
   (( segid "    " and resid 52   and name HZ  ))
   (( segid "    " and resid 38   and name HD22))
      2.600     2.600     3.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.77575E-03 ppm1      7.383 ppm2      7.284 CV     1
 ASSI {  206}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 41   and name HH2 ))
      2.600     0.300     0.300 peak   206 spectrum    1 weight  0.10000E+01 volume  0.51887E-02 ppm1      7.387 ppm2      7.226 CV     1
 ASSI {  207}
   (( segid "    " and resid 52   and name HZ  ))
   (  segid "    " and resid 52   and name HD% )
      3.600     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      7.387 ppm2      7.168 CV     1
 ASSI {  209}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 25   and name HN  ))
      4.000     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.48111E-03 ppm1      7.349 ppm2      9.525 CV     1
 ASSI {  210}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      4.400     1.000     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.14419E-03 ppm1      7.349 ppm2      8.107 CV     1
 ASSI {  211}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 16   and name HN  ))
      3.500     0.600     0.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.10474E-02 ppm1      7.350 ppm2      7.680 CV     1
 ASSI {  214}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 15   and name HE% )
      2.200     0.200     0.200 peak   214 spectrum    1 weight  0.10000E+01 volume  0.84067E-02 ppm1      7.350 ppm2      6.964 CV     1
 ASSI {  216}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 57   and name HD% )
      3.300     0.500     0.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.83007E-03 ppm1      7.349 ppm2      6.740 CV     1
 ASSI {  218}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 52   and name HZ  ))
      2.000     0.200     0.200 peak   218 spectrum    1 weight  0.10000E+01 volume  0.17329E-01 ppm1      7.431 ppm2      7.383 CV     1
 ASSI {  219}
   (( segid "    " and resid 38   and name HD22))
   (  segid "    " and resid 52   and name HE% )
      3.600     3.600     2.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.15363E-02 ppm1      7.281 ppm2      7.436 CV     1
 ASSI {  223}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 41   and name HD1 ))
      3.500     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.84482E-03 ppm1      7.275 ppm2      7.052 CV     1
 ASSI {  224}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 41   and name HZ3 ))
      2.300     0.300     0.300 peak   224 spectrum    1 weight  0.10000E+01 volume  0.68045E-02 ppm1      7.220 ppm2      6.653 CV     1
 ASSI {  225}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 42   and name HZ3 ))
      2.100     2.100     3.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.14102E-01 ppm1      7.226 ppm2      6.724 CV     1
 ASSI {  226}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 41   and name HE1 ))
      5.400     1.500     0.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.16878E-03 ppm1      7.224 ppm2     10.026 CV     1
 ASSI {  227}
   (( segid "    " and resid 41   and name HH2 ))
   (  segid "    " and resid 15   and name HE% )
      4.100     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.69795E-03 ppm1      7.224 ppm2      6.962 CV     1
 ASSI {  229}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 60   and name HN  ))
      5.000     1.200     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.12131E-03 ppm1      7.222 ppm2      9.260 CV     1
 ASSI {  230}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 42   and name HZ2 ))
      2.500     0.300     0.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.64915E-02 ppm1      7.219 ppm2      7.552 CV     1
 ASSI {  232}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 42   and name HE3 ))
      3.200     3.200     2.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.30718E-02 ppm1      7.217 ppm2      7.103 CV     1
 ASSI {  234}
   (( segid "    " and resid 35   and name HD22))
   (  segid "    " and resid 52   and name HE% )
      3.000     0.400     0.400 peak   234 spectrum    1 weight  0.10000E+01 volume  0.14171E-02 ppm1      7.217 ppm2      7.434 CV     1
 ASSI {  237}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HE22))
      1.800     0.200     0.400 peak   237 spectrum    1 weight  0.10000E+01 volume  0.26297E-01 ppm1      7.203 ppm2      6.705 CV     1
 ASSI {  238}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 44   and name HN  ))
      4.900     1.200     1.100 peak   238 spectrum    1 weight  0.10000E+01 volume  0.20363E-03 ppm1      7.165 ppm2      9.382 CV     1
 ASSI {  239}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 42   and name HN  ))
      3.700     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.45188E-03 ppm1      7.165 ppm2      9.335 CV     1
 ASSI {  241}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 53   and name HN  ))
      3.600     0.600     0.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.70071E-03 ppm1      7.166 ppm2      9.077 CV     1
 ASSI {  242}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 43   and name HN  ))
      4.100     0.800     0.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.31422E-03 ppm1      7.165 ppm2      8.962 CV     1
 ASSI {  243}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 42   and name HD1 ))
      4.700     1.100     1.100 peak   243 spectrum    1 weight  0.10000E+01 volume  0.21523E-03 ppm1      7.165 ppm2      7.557 CV     1
 ASSI {  244}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 38   and name HD22))
      2.500     2.500     3.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.10428E-02 ppm1      7.169 ppm2      7.285 CV     1
 ASSI {  246}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HD1 ))
      4.400     1.000     1.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.26596E-03 ppm1      7.106 ppm2      7.557 CV     1
 ASSI {  248}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HZ3 ))
      2.400     0.300     0.300 peak   248 spectrum    1 weight  0.10000E+01 volume  0.64133E-02 ppm1      7.106 ppm2      6.726 CV     1
 ASSI {  251}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 35   and name HD21))
      4.700     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.34166E-03 ppm1      7.103 ppm2      7.942 CV     1
 ASSI {  254}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 15   and name HE% )
      4.100     4.100     1.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.63579E-03 ppm1      7.084 ppm2      6.965 CV     1
 ASSI {  255}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     0.700     0.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.63579E-03 ppm1      7.083 ppm2      9.336 CV     1
 ASSI {  256}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     0.600     0.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.82225E-03 ppm1      7.084 ppm2      9.077 CV     1
 ASSI {  258}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HH2 ))
      3.300     3.300     2.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.27088E-02 ppm1      7.088 ppm2      7.220 CV     1
 ASSI {  259}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HZ3 ))
      2.400     0.300     0.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.48848E-02 ppm1      7.083 ppm2      6.653 CV     1
 ASSI {  260}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 52   and name HD% )
      3.500     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.16178E-02 ppm1      7.086 ppm2      7.165 CV     1
 ASSI {  261}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HE1 ))
      2.700     0.400     0.400 peak   261 spectrum    1 weight  0.10000E+01 volume  0.41661E-02 ppm1      7.050 ppm2     10.026 CV     1
 ASSI {  263}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     0.600     0.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.72419E-03 ppm1      7.049 ppm2      8.092 CV     1
 ASSI {  265}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HZ2 ))
      5.000     1.300     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.25109E-03 ppm1      7.050 ppm2      7.390 CV     1
 ASSI {  267}
   (( segid "    " and resid 41   and name HD1 ))
   (  segid "    " and resid 52   and name HD% )
      2.900     2.900     3.100 peak   267 spectrum    1 weight  0.10000E+01 volume  0.42571E-03 ppm1      7.049 ppm2      7.168 CV     1
 ASSI {  268}
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 49   and name HE  ))
      4.000     0.800     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.37172E-03 ppm1      7.027 ppm2      7.218 CV     1
 ASSI {  274}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 18   and name HN  ))
      3.900     0.800     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.67032E-03 ppm1      6.960 ppm2      8.448 CV     1
 ASSI {  275}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 16   and name HN  ))
      4.100     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.35676E-03 ppm1      6.959 ppm2      7.673 CV     1
 ASSI {  276}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 23   and name HN  ))
      3.500     0.600     0.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.90695E-03 ppm1      6.960 ppm2      7.451 CV     1
 ASSI {  278}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 57   and name HE% )
      3.400     0.600     0.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.15151E-02 ppm1      6.959 ppm2      6.877 CV     1
 ASSI {  281}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 16   and name HE21))
      4.700     4.700     1.300 peak   281 spectrum    1 weight  0.10000E+01 volume  0.25427E-03 ppm1      6.960 ppm2      7.505 CV     1
 ASSI {  285}
   (  segid "    " and resid 57   and name HE% )
   (  segid "    " and resid 15   and name HD% )
      2.700     0.400     0.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.21293E-02 ppm1      6.875 ppm2      7.352 CV     1
 ASSI {  286}
   (  segid "    " and resid 57   and name HE% )
   (  segid "    " and resid 57   and name HD% )
      2.000     0.200     0.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.14673E-01 ppm1      6.874 ppm2      6.741 CV     1
 ASSI {  287}
   (  segid "    " and resid 57   and name HE% )
   (  segid "    " and resid 13   and name HD% )
      3.400     0.600     0.600 peak   287 spectrum    1 weight  0.10000E+01 volume  0.79278E-03 ppm1      6.874 ppm2      6.674 CV     1
 ASSI {  288}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 57   and name HN  ))
      3.500     3.500     2.500 peak   288 spectrum    1 weight  0.10000E+01 volume  0.14249E-03 ppm1      6.874 ppm2      7.748 CV     1
 ASSI {  289}
   (  segid "    " and resid 57   and name HE% )
   (  segid "    " and resid 13   and name HE% )
      2.700     2.700     3.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.64823E-03 ppm1      6.875 ppm2      6.635 CV     1
 ASSI {  292}
   (( segid "    " and resid 16   and name HE22))
   (( segid "    " and resid 49   and name HE  ))
      4.100     4.100     1.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.74306E-03 ppm1      6.840 ppm2      7.217 CV     1
 ASSI {  294}
   (( segid "    " and resid 16   and name HE22))
   (( segid "    " and resid 16   and name HE21))
      1.700     0.100     0.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.20105E-01 ppm1      6.835 ppm2      7.501 CV     1
 ASSI {  298}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      4.200     0.900     0.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.27107E-03 ppm1      6.737 ppm2      7.829 CV     1
 ASSI {  299}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 57   and name HN  ))
      3.100     0.500     0.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.12546E-02 ppm1      6.737 ppm2      7.747 CV     1
 ASSI {  303}
   (  segid "    " and resid 57   and name HD% )
   (  segid "    " and resid 15   and name HE% )
      3.600     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.10179E-02 ppm1      6.736 ppm2      6.964 CV     1
 ASSI {  305}
   (  segid "    " and resid 57   and name HD% )
   (  segid "    " and resid 13   and name HD% )
      2.400     2.400     3.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.64133E-02 ppm1      6.741 ppm2      6.675 CV     1
 ASSI {  307}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.900     0.800     0.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.47788E-03 ppm1      6.723 ppm2      9.260 CV     1
 ASSI {  308}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 42   and name HZ2 ))
      4.200     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.65007E-03 ppm1      6.722 ppm2      7.552 CV     1
 ASSI {  314}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      4.500     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.29335E-03 ppm1      6.670 ppm2      9.262 CV     1
 ASSI {  316}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HN  ))
      3.100     0.500     0.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.17665E-02 ppm1      6.676 ppm2      7.100 CV     1
 ASSI {  320}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 41   and name HZ2 ))
      4.200     0.900     0.900 peak   320 spectrum    1 weight  0.10000E+01 volume  0.56305E-03 ppm1      6.649 ppm2      7.384 CV     1
 ASSI {  323}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 15   and name HE% )
      3.300     0.500     0.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.13600E-02 ppm1      6.648 ppm2      6.963 CV     1
 ASSI {  324}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 13   and name HD% )
      1.700     0.100     0.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.38286E-01 ppm1      6.630 ppm2      6.670 CV     1
 ASSI {  327}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 57   and name HD% )
      2.900     0.400     0.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.23553E-02 ppm1      6.626 ppm2      6.734 CV     1
 ASSI {  328}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     0.500     0.500 peak   328 spectrum    1 weight  0.10000E+01 volume  0.10916E-02 ppm1      5.661 ppm2      9.263 CV     1
 ASSI {  329}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.300     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.13499E-02 ppm1      5.654 ppm2      9.384 CV     1
 ASSI {  330}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.300     0.300     0.300 peak   330 spectrum    1 weight  0.10000E+01 volume  0.76791E-02 ppm1      5.655 ppm2      9.077 CV     1
 ASSI {  331}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD% )
      2.900     0.400     0.400 peak   331 spectrum    1 weight  0.10000E+01 volume  0.21960E-02 ppm1      5.656 ppm2      7.167 CV     1
 ASSI {  332}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     0.400     0.400 peak   332 spectrum    1 weight  0.10000E+01 volume  0.16680E-02 ppm1      5.564 ppm2      9.331 CV     1
 ASSI {  333}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.300     0.300 peak   333 spectrum    1 weight  0.10000E+01 volume  0.59759E-02 ppm1      5.563 ppm2      8.963 CV     1
 ASSI {  334}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     0.600     0.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.14939E-02 ppm1      5.561 ppm2      8.913 CV     1
 ASSI {  335}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     0.500     0.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.14226E-02 ppm1      5.560 ppm2      8.549 CV     1
 ASSI {  336}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD1 ))
      2.400     0.300     0.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.49076E-02 ppm1      5.563 ppm2      7.561 CV     1
 ASSI {  337}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.100     0.200     0.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.12859E-01 ppm1      5.556 ppm2      8.636 CV     1
 ASSI {  338}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     0.400     0.400 peak   338 spectrum    1 weight  0.10000E+01 volume  0.15045E-02 ppm1      5.549 ppm2      7.448 CV     1
 ASSI {  339}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.400     0.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.27578E-02 ppm1      5.545 ppm2      9.260 CV     1
 ASSI {  340}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.300     0.300 peak   340 spectrum    1 weight  0.10000E+01 volume  0.43562E-02 ppm1      5.456 ppm2      9.260 CV     1
 ASSI {  341}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     0.300     0.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.70992E-02 ppm1      5.453 ppm2      8.911 CV     1
 ASSI {  342}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.900     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.91892E-03 ppm1      5.452 ppm2      8.629 CV     1
 ASSI {  346}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.300     0.300     0.300 peak   346 spectrum    1 weight  0.10000E+01 volume  0.64453E-02 ppm1      5.414 ppm2      9.173 CV     1
 ASSI {  347}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.300     0.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.33796E-02 ppm1      5.409 ppm2      9.071 CV     1
 ASSI {  348}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.300     0.300 peak   348 spectrum    1 weight  0.10000E+01 volume  0.46452E-02 ppm1      5.411 ppm2      8.697 CV     1
 ASSI {  349}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     3.300     2.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.70992E-03 ppm1      5.416 ppm2      8.357 CV     1
 ASSI {  350}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     0.500     0.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.98937E-03 ppm1      5.406 ppm2      9.381 CV     1
 ASSI {  351}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.300     0.300 peak   351 spectrum    1 weight  0.10000E+01 volume  0.38083E-02 ppm1      5.230 ppm2      9.027 CV     1
 ASSI {  354}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.300     0.300 peak   354 spectrum    1 weight  0.10000E+01 volume  0.36979E-02 ppm1      5.130 ppm2      9.092 CV     1
 ASSI {  358}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 40   and name HB3 ))
      3.800     0.700     0.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.49168E-03 ppm1     10.023 ppm2      2.342 CV     1
 ASSI {  359}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      5.200     1.300     0.800 peak   359 spectrum    1 weight  0.10000E+01 volume  0.26132E-03 ppm1      9.523 ppm2      2.202 CV     1
 ASSI {  360}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.300     0.300 peak   360 spectrum    1 weight  0.10000E+01 volume  0.63671E-02 ppm1      9.522 ppm2      5.032 CV     1
 ASSI {  361}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     0.500     0.500 peak   361 spectrum    1 weight  0.10000E+01 volume  0.13931E-02 ppm1      9.521 ppm2      4.907 CV     1
 ASSI {  362}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.100     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.45536E-03 ppm1      9.521 ppm2      4.566 CV     1
 ASSI {  363}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      4.500     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.29005E-03 ppm1      9.522 ppm2      4.016 CV     1
 ASSI {  364}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      5.300     1.400     0.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.27945E-03 ppm1      9.522 ppm2      3.076 CV     1
 ASSI {  366}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.000     0.500     0.500 peak   366 spectrum    1 weight  0.10000E+01 volume  0.11316E-02 ppm1      9.521 ppm2      2.743 CV     1
 ASSI {  368}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.100     0.800     0.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.59711E-03 ppm1      9.523 ppm2      2.157 CV     1
 ASSI {  369}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.900     0.800     0.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.37674E-03 ppm1      9.522 ppm2      1.930 CV     1
 ASSI {  370}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.900     0.400     0.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.24935E-02 ppm1      9.521 ppm2      1.338 CV     1
 ASSI {  371}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.300     0.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.65928E-02 ppm1      9.465 ppm2      4.505 CV     1
 ASSI {  372}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.300     0.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.62889E-02 ppm1      9.465 ppm2      4.345 CV     1
 ASSI {  376}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.300     0.500     0.500 peak   376 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      9.465 ppm2      1.051 CV     1
 ASSI {  377}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      4.600     1.100     1.100 peak   377 spectrum    1 weight  0.10000E+01 volume  0.50412E-03 ppm1      9.465 ppm2      0.974 CV     1
 ASSI {  380}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.300     0.300     0.300 peak   380 spectrum    1 weight  0.10000E+01 volume  0.60449E-02 ppm1      9.381 ppm2      4.527 CV     1
 ASSI {  381}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      4.400     1.000     1.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.31316E-03 ppm1      9.380 ppm2      2.135 CV     1
 ASSI {  383}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.200     0.500     0.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.96820E-03 ppm1      9.381 ppm2      1.063 CV     1
 ASSI {  384}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      2.500     0.300     0.300 peak   384 spectrum    1 weight  0.10000E+01 volume  0.44827E-02 ppm1      9.381 ppm2      0.816 CV     1
 ASSI {  385}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.500     0.600     0.600 peak   385 spectrum    1 weight  0.10000E+01 volume  0.76332E-03 ppm1      9.381 ppm2      0.708 CV     1
 ASSI {  386}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      3.900     0.800     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.76791E-03 ppm1      9.381 ppm2      0.415 CV     1
 ASSI {  388}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      2.900     0.400     0.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.23051E-02 ppm1      9.381 ppm2      0.869 CV     1
 ASSI {  390}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.500     0.600     0.600 peak   390 spectrum    1 weight  0.10000E+01 volume  0.96956E-03 ppm1      9.362 ppm2      5.130 CV     1
 ASSI {  391}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.200     0.200 peak   391 spectrum    1 weight  0.10000E+01 volume  0.93826E-02 ppm1      9.361 ppm2      5.006 CV     1
 ASSI {  392}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      2.700     0.400     0.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.22057E-02 ppm1      9.363 ppm2      1.604 CV     1
 ASSI {  393}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.400     0.600     0.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.17066E-02 ppm1      9.362 ppm2      1.474 CV     1
 ASSI {  394}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      2.600     0.300     0.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.40201E-02 ppm1      9.362 ppm2      0.915 CV     1
 ASSI {  396}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.700     1.100     1.100 peak   396 spectrum    1 weight  0.10000E+01 volume  0.27208E-03 ppm1      9.332 ppm2      5.655 CV     1
 ASSI {  398}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.300     0.300     0.300 peak   398 spectrum    1 weight  0.10000E+01 volume  0.64086E-02 ppm1      9.333 ppm2      5.084 CV     1
 ASSI {  400}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.100     3.100     2.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.94471E-03 ppm1      9.332 ppm2      3.007 CV     1
 ASSI {  401}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.100     0.900     0.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.80060E-03 ppm1      9.332 ppm2      2.886 CV     1
 ASSI {  403}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.700     0.700     0.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.71590E-03 ppm1      9.332 ppm2      2.699 CV     1
 ASSI {  404}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.600     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.77298E-03 ppm1      9.332 ppm2      0.708 CV     1
 ASSI {  405}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      3.500     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.89775E-03 ppm1      9.331 ppm2     -0.065 CV     1
 ASSI {  406}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HA  ))
      4.800     1.200     1.200 peak   406 spectrum    1 weight  0.10000E+01 volume  0.39381E-03 ppm1      9.306 ppm2      5.564 CV     1
 ASSI {  407}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 39   and name HA  ))
      3.200     0.500     0.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.13195E-02 ppm1      9.305 ppm2      4.258 CV     1
 ASSI {  408}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.800     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.48940E-03 ppm1      9.305 ppm2      4.006 CV     1
 ASSI {  409}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.600     0.700     0.700 peak   409 spectrum    1 weight  0.10000E+01 volume  0.69748E-03 ppm1      9.305 ppm2      2.885 CV     1
 ASSI {  410}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 55   and name HA  ))
      5.000     1.200     1.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.15368E-03 ppm1      9.306 ppm2      2.697 CV     1
 ASSI {  411}
   (( segid "    " and resid 42   and name HE1 ))
   (  segid "    " and resid 55   and name HB% )
      3.300     0.500     0.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.13190E-02 ppm1      9.305 ppm2     -0.065 CV     1
 ASSI {  412}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.600     1.100     1.100 peak   412 spectrum    1 weight  0.10000E+01 volume  0.41664E-03 ppm1      9.305 ppm2      2.067 CV     1
 ASSI {  413}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.300     0.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.69748E-02 ppm1      9.257 ppm2      4.618 CV     1
 ASSI {  414}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      4.100     0.800     0.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.36352E-03 ppm1      9.259 ppm2      2.207 CV     1
 ASSI {  415}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     0.400     0.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.22071E-02 ppm1      9.257 ppm2      1.208 CV     1
 ASSI {  416}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.500     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.26980E-03 ppm1      9.257 ppm2      0.871 CV     1
 ASSI {  417}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.700     0.700     0.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.15584E-02 ppm1      9.257 ppm2      0.711 CV     1
 ASSI {  419}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.300     0.300 peak   419 spectrum    1 weight  0.10000E+01 volume  0.64269E-02 ppm1      9.256 ppm2      4.851 CV     1
 ASSI {  420}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     0.500     0.500 peak   420 spectrum    1 weight  0.10000E+01 volume  0.14083E-02 ppm1      9.256 ppm2      4.487 CV     1
 ASSI {  421}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      2.300     0.300     0.300 peak   421 spectrum    1 weight  0.10000E+01 volume  0.66526E-02 ppm1      9.256 ppm2      3.922 CV     1
 OR {  421}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
 ASSI {  422}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.200     0.500     0.500 peak   422 spectrum    1 weight  0.10000E+01 volume  0.81627E-03 ppm1      9.255 ppm2      3.194 CV     1
 ASSI {  423}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      5.200     1.300     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.25138E-03 ppm1      9.257 ppm2      2.542 CV     1
 ASSI {  424}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      4.800     1.100     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.26869E-03 ppm1      9.255 ppm2      2.273 CV     1
 ASSI {  425}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     0.400     0.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.15865E-02 ppm1      9.256 ppm2      2.060 CV     1
 ASSI {  426}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.500     1.000     1.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.46822E-03 ppm1      9.256 ppm2      1.914 CV     1
 ASSI {  427}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.300     0.500     0.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.27825E-02 ppm1      9.256 ppm2      1.857 CV     1
 ASSI {  428}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.000     0.500     0.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.41301E-02 ppm1      9.256 ppm2      1.752 CV     1
 OR {  428}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  429}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      3.300     0.600     0.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      9.256 ppm2      1.676 CV     1
 ASSI {  430}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      3.500     0.600     0.600 peak   430 spectrum    1 weight  0.10000E+01 volume  0.10216E-02 ppm1      9.257 ppm2      1.463 CV     1
 ASSI {  431}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      2.400     0.300     0.300 peak   431 spectrum    1 weight  0.10000E+01 volume  0.41562E-02 ppm1      9.257 ppm2      1.390 CV     1
 ASSI {  432}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 53   and name HG1%)
      4.700     1.100     1.100 peak   432 spectrum    1 weight  0.10000E+01 volume  0.15377E-03 ppm1      9.255 ppm2      1.129 CV     1
 ASSI {  433}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      4.100     0.800     0.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.40283E-03 ppm1      9.256 ppm2      1.052 CV     1
 ASSI {  435}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      3.400     0.600     0.600 peak   435 spectrum    1 weight  0.10000E+01 volume  0.25569E-02 ppm1      9.257 ppm2      0.772 CV     1
 ASSI {  436}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.700     0.700     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.11445E-02 ppm1      9.257 ppm2      0.647 CV     1
 ASSI {  439}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      3.500     3.500     2.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.21528E-02 ppm1      9.256 ppm2      2.724 CV     1
 ASSI {  440}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.400     1.000     1.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.31596E-03 ppm1      9.168 ppm2      5.008 CV     1
 ASSI {  442}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.200     0.500     0.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.99811E-03 ppm1      9.168 ppm2      5.234 CV     1
 ASSI {  443}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.800     0.700     0.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.63120E-03 ppm1      9.169 ppm2      4.628 CV     1
 ASSI {  444}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      4.400     1.000     1.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.34129E-03 ppm1      9.170 ppm2      2.029 CV     1
 ASSI {  445}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG  ))
      3.800     3.800     2.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      9.168 ppm2      1.681 CV     1
 ASSI {  446}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      5.200     1.300     0.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.28037E-03 ppm1      9.168 ppm2      1.473 CV     1
 ASSI {  447}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.300     0.600     0.600 peak   447 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      9.168 ppm2      1.355 CV     1
 OR {  447}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  448}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      5.100     1.300     0.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.21689E-03 ppm1      9.168 ppm2      1.152 CV     1
 ASSI {  449}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      3.700     0.700     0.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.75366E-03 ppm1      9.168 ppm2      1.052 CV     1
 ASSI {  450}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      3.300     0.600     0.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.98016E-03 ppm1      9.168 ppm2      0.911 CV     1
 ASSI {  451}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      2.500     2.500     3.500 peak   451 spectrum    1 weight  0.10000E+01 volume  0.40017E-02 ppm1      9.168 ppm2      0.826 CV     1
 ASSI {  452}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      3.400     0.600     0.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.18945E-02 ppm1      9.168 ppm2      0.785 CV     1
 ASSI {  453}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.300     0.300 peak   453 spectrum    1 weight  0.10000E+01 volume  0.67171E-02 ppm1      9.136 ppm2      4.741 CV     1
 ASSI {  454}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     0.500     0.500 peak   454 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      9.135 ppm2      4.005 CV     1
 ASSI {  455}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.100     0.800     0.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.48478E-03 ppm1      9.136 ppm2      2.884 CV     1
 ASSI {  456}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.300     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.46038E-03 ppm1      9.136 ppm2      2.829 CV     1
 ASSI {  457}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      5.100     1.300     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.20524E-03 ppm1      9.135 ppm2      2.700 CV     1
 ASSI {  458}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.500     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.62750E-03 ppm1      9.136 ppm2      2.068 CV     1
 ASSI {  459}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      5.100     5.100     0.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.34056E-03 ppm1      9.137 ppm2      1.325 CV     1
 ASSI {  460}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.900     0.800     0.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.37438E-03 ppm1      9.134 ppm2      0.714 CV     1
 ASSI {  461}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
      3.700     0.700     0.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.12278E-02 ppm1      9.070 ppm2      0.753 CV     1
 ASSI {  463}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.800     0.700     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.59667E-03 ppm1      9.089 ppm2      5.006 CV     1
 ASSI {  464}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     0.400     0.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      9.089 ppm2      4.619 CV     1
 ASSI {  465}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.100     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.86552E-03 ppm1      9.089 ppm2      1.722 CV     1
 ASSI {  466}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      2.500     0.300     0.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.46269E-02 ppm1      9.089 ppm2      1.675 CV     1
 ASSI {  467}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      4.300     0.900     0.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.68090E-03 ppm1      9.089 ppm2      1.398 CV     1
 ASSI {  468}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.400     0.600     0.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      9.089 ppm2      0.922 CV     1
 ASSI {  469}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      5.400     1.500     0.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.14272E-03 ppm1      9.088 ppm2      5.233 CV     1
 ASSI {  470}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.400     0.600     0.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.98798E-03 ppm1      9.088 ppm2      1.271 CV     1
 ASSI {  471}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      2.600     0.300     0.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.43828E-02 ppm1      9.088 ppm2      0.866 CV     1
 ASSI {  472}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.500     0.600     0.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.13581E-02 ppm1      9.086 ppm2      0.777 CV     1
 OR {  472}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  473}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.200     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.27507E-03 ppm1      9.086 ppm2      2.894 CV     1
 ASSI {  476}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.700     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.47421E-03 ppm1      9.075 ppm2      4.795 CV     1
 ASSI {  477}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.200     4.200     1.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.98431E-03 ppm1      9.074 ppm2      3.194 CV     1
 ASSI {  479}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.800     0.400     0.400 peak   479 spectrum    1 weight  0.10000E+01 volume  0.23102E-02 ppm1      9.070 ppm2      4.537 CV     1
 ASSI {  480}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      3.400     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.64592E-03 ppm1      9.074 ppm2      2.723 CV     1
 ASSI {  481}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      4.900     1.200     1.100 peak   481 spectrum    1 weight  0.10000E+01 volume  0.26353E-03 ppm1      9.067 ppm2      2.135 CV     1
 ASSI {  482}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      4.000     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.53498E-03 ppm1      9.074 ppm2      1.791 CV     1
 ASSI {  483}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      2.600     0.300     0.300 peak   483 spectrum    1 weight  0.10000E+01 volume  0.31794E-02 ppm1      9.067 ppm2      1.446 CV     1
 ASSI {  484}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HG1%)
      2.700     0.400     0.400 peak   484 spectrum    1 weight  0.10000E+01 volume  0.39256E-02 ppm1      9.072 ppm2      1.135 CV     1
 ASSI {  485}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      2.400     0.300     0.300 peak   485 spectrum    1 weight  0.10000E+01 volume  0.59021E-02 ppm1      9.071 ppm2      0.709 CV     1
 ASSI {  486}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      4.600     1.100     1.100 peak   486 spectrum    1 weight  0.10000E+01 volume  0.33700E-03 ppm1      9.068 ppm2      1.056 CV     1
 ASSI {  488}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.200     0.300     0.300 peak   488 spectrum    1 weight  0.10000E+01 volume  0.55017E-02 ppm1      9.066 ppm2      4.411 CV     1
 ASSI {  489}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.200     0.500     0.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.33540E-02 ppm1      9.066 ppm2      1.202 CV     1
 ASSI {  491}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.300     0.300 peak   491 spectrum    1 weight  0.10000E+01 volume  0.36178E-02 ppm1      9.037 ppm2      4.413 CV     1
 ASSI {  492}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.000     0.800     0.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.11574E-02 ppm1      9.034 ppm2      0.713 CV     1
 ASSI {  493}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.200     4.200     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.32006E-03 ppm1      9.034 ppm2      4.537 CV     1
 ASSI {  494}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      4.700     1.100     1.100 peak   494 spectrum    1 weight  0.10000E+01 volume  0.23628E-03 ppm1      9.033 ppm2      4.078 CV     1
 ASSI {  496}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     0.400     0.400 peak   496 spectrum    1 weight  0.10000E+01 volume  0.18936E-02 ppm1      9.033 ppm2      5.413 CV     1
 ASSI {  497}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.300     0.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.65098E-02 ppm1      9.031 ppm2      4.629 CV     1
 ASSI {  498}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.800     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.66801E-03 ppm1      9.024 ppm2      4.485 CV     1
 ASSI {  499}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      2.600     0.300     0.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.35127E-02 ppm1      9.026 ppm2      2.029 CV     1
 ASSI {  500}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.700     0.700     0.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.89958E-03 ppm1      9.026 ppm2      1.915 CV     1
 ASSI {  502}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 61   and name HG  ))
      3.000     0.400     0.400 peak   502 spectrum    1 weight  0.10000E+01 volume  0.16279E-02 ppm1      9.025 ppm2      1.649 CV     1
 ASSI {  503}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.500     0.300     0.300 peak   503 spectrum    1 weight  0.10000E+01 volume  0.26445E-02 ppm1      9.024 ppm2      1.398 CV     1
 ASSI {  504}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.400     0.300     0.300 peak   504 spectrum    1 weight  0.10000E+01 volume  0.59620E-02 ppm1      9.031 ppm2      1.154 CV     1
 ASSI {  505}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      3.600     0.600     0.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.12624E-02 ppm1      9.030 ppm2      1.052 CV     1
 ASSI {  506}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      3.200     0.500     0.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21339E-02 ppm1      9.029 ppm2      0.873 CV     1
 ASSI {  507}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      3.100     0.500     0.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.17195E-02 ppm1      9.030 ppm2      0.827 CV     1
 ASSI {  508}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      3.400     0.600     0.600 peak   508 spectrum    1 weight  0.10000E+01 volume  0.17352E-02 ppm1      9.030 ppm2      0.782 CV     1
 ASSI {  509}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.900     1.200     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.43294E-03 ppm1      9.032 ppm2      0.396 CV     1
 ASSI {  511}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     0.500     0.500 peak   511 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      9.024 ppm2      5.132 CV     1
 ASSI {  512}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.300     0.900     0.900 peak   512 spectrum    1 weight  0.10000E+01 volume  0.36675E-03 ppm1      9.025 ppm2      1.274 CV     1
 ASSI {  513}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.800     1.200     1.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.30628E-03 ppm1      9.023 ppm2      5.550 CV     1
 ASSI {  515}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     0.500     0.500 peak   515 spectrum    1 weight  0.10000E+01 volume  0.89730E-03 ppm1      8.960 ppm2      4.528 CV     1
 ASSI {  517}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.500     1.000     1.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.89315E-03 ppm1      8.960 ppm2      2.825 CV     1
 ASSI {  519}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.800     0.400     0.400 peak   519 spectrum    1 weight  0.10000E+01 volume  0.15506E-02 ppm1      8.960 ppm2      1.285 CV     1
 ASSI {  520}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      5.200     1.400     0.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.13356E-03 ppm1      8.963 ppm2      1.065 CV     1
 ASSI {  522}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.500     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.61829E-03 ppm1      8.960 ppm2      0.712 CV     1
 ASSI {  523}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.900     1.200     1.100 peak   523 spectrum    1 weight  0.10000E+01 volume  0.14433E-03 ppm1      8.957 ppm2      5.655 CV     1
 ASSI {  524}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.700     1.100     1.100 peak   524 spectrum    1 weight  0.10000E+01 volume  0.21914E-03 ppm1      8.960 ppm2      4.007 CV     1
 ASSI {  525}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.800     0.400     0.400 peak   525 spectrum    1 weight  0.10000E+01 volume  0.15630E-02 ppm1      8.960 ppm2      1.622 CV     1
 ASSI {  526}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      4.900     1.200     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.18927E-03 ppm1      8.910 ppm2      0.627 CV     1
 ASSI {  527}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     0.500     0.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.15879E-02 ppm1      8.908 ppm2      4.506 CV     1
 ASSI {  528}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      6.000     1.900     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.14474E-03 ppm1      8.908 ppm2      0.886 CV     1
 ASSI {  531}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.500     0.600     0.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.83469E-03 ppm1      8.908 ppm2      2.336 CV     1
 ASSI {  532}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
      3.500     0.600     0.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.11173E-02 ppm1      8.909 ppm2      2.250 CV     1
 ASSI {  533}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.300     0.500     0.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.10644E-02 ppm1      8.908 ppm2      2.141 CV     1
 ASSI {  535}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.900     0.800     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.91157E-03 ppm1      8.908 ppm2      1.881 CV     1
 ASSI {  536}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.400     1.000     1.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.55568E-03 ppm1      8.908 ppm2      1.050 CV     1
 ASSI {  537}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      2.900     2.900     3.100 peak   537 spectrum    1 weight  0.10000E+01 volume  0.17228E-02 ppm1      8.908 ppm2      0.973 CV     1
 ASSI {  538}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      4.100     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.38119E-03 ppm1      8.909 ppm2      0.704 CV     1
 ASSI {  539}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      3.500     0.600     0.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.10046E-02 ppm1      8.892 ppm2      4.143 CV     1
 ASSI {  540}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.400     1.000     1.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.27733E-03 ppm1      8.892 ppm2      2.873 CV     1
 ASSI {  541}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB3 ))
      4.000     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.33796E-03 ppm1      8.892 ppm2      2.787 CV     1
 ASSI {  542}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.400     0.600     0.600 peak   542 spectrum    1 weight  0.10000E+01 volume  0.88945E-03 ppm1      8.893 ppm2      4.749 CV     1
 ASSI {  543}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     2.900     3.100 peak   543 spectrum    1 weight  0.10000E+01 volume  0.38156E-03 ppm1      8.860 ppm2      4.619 CV     1
 ASSI {  544}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.700     0.400     0.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.25828E-02 ppm1      8.857 ppm2      4.483 CV     1
 ASSI {  545}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.900     0.400     0.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.37813E-02 ppm1      8.858 ppm2      3.541 CV     1
 ASSI {  547}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      3.000     0.400     0.400 peak   547 spectrum    1 weight  0.10000E+01 volume  0.30569E-02 ppm1      8.857 ppm2      1.675 CV     1
 ASSI {  548}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.500     1.000     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.20096E-03 ppm1      8.860 ppm2      1.277 CV     1
 ASSI {  549}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.700     0.700     0.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.13466E-02 ppm1      8.835 ppm2      1.122 CV     1
 OR {  549}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI {  550}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.400     0.600     0.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.80890E-03 ppm1      8.858 ppm2      0.866 CV     1
 ASSI {  551}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.300     0.300 peak   551 spectrum    1 weight  0.10000E+01 volume  0.57410E-02 ppm1      8.839 ppm2      4.890 CV     1
 ASSI {  552}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     0.400     0.400 peak   552 spectrum    1 weight  0.10000E+01 volume  0.20768E-02 ppm1      8.839 ppm2      4.661 CV     1
 ASSI {  554}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.600     0.600     0.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.11906E-02 ppm1      8.839 ppm2      1.738 CV     1
 OR {  554}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
 ASSI {  555}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD3 ))
      2.600     0.300     0.300 peak   555 spectrum    1 weight  0.10000E+01 volume  0.35436E-02 ppm1      8.840 ppm2      1.604 CV     1
 OR {  555}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI {  556}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.600     2.600     3.400 peak   556 spectrum    1 weight  0.10000E+01 volume  0.34129E-02 ppm1      8.839 ppm2      1.487 CV     1
 OR {  556}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  557}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.300     0.300 peak   557 spectrum    1 weight  0.10000E+01 volume  0.58929E-02 ppm1      8.735 ppm2      4.505 CV     1
 ASSI {  559}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.300     0.600     0.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.10437E-02 ppm1      8.736 ppm2      3.119 CV     1
 ASSI {  560}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.000     0.400     0.400 peak   560 spectrum    1 weight  0.10000E+01 volume  0.16855E-02 ppm1      8.736 ppm2      3.065 CV     1
 ASSI {  561}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      3.500     0.600     0.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.90512E-03 ppm1      8.735 ppm2      3.002 CV     1
 ASSI {  562}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      4.300     0.900     0.900 peak   562 spectrum    1 weight  0.10000E+01 volume  0.34263E-03 ppm1      8.734 ppm2      2.336 CV     1
 ASSI {  563}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.300     0.500     0.500 peak   563 spectrum    1 weight  0.10000E+01 volume  0.11837E-02 ppm1      8.727 ppm2      4.856 CV     1
 ASSI {  564}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      3.900     0.800     0.800 peak   564 spectrum    1 weight  0.10000E+01 volume  0.90373E-03 ppm1      8.728 ppm2      4.278 CV     1
 ASSI {  565}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.500     0.600     0.600 peak   565 spectrum    1 weight  0.10000E+01 volume  0.90373E-03 ppm1      8.727 ppm2      3.992 CV     1
 ASSI {  567}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.900     2.900     3.100 peak   567 spectrum    1 weight  0.10000E+01 volume  0.27208E-02 ppm1      8.734 ppm2      2.874 CV     1
 ASSI {  568}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      4.000     4.000     2.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.32517E-03 ppm1      8.727 ppm2      1.325 CV     1
 ASSI {  569}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.400     1.000     1.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.46269E-03 ppm1      8.696 ppm2      5.558 CV     1
 ASSI {  571}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.500     0.300     0.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.45951E-02 ppm1      8.694 ppm2      2.135 CV     1
 ASSI {  572}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.000     0.400     0.400 peak   572 spectrum    1 weight  0.10000E+01 volume  0.14148E-02 ppm1      8.694 ppm2      1.875 CV     1
 ASSI {  573}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.800     0.700     0.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.78588E-03 ppm1      8.694 ppm2      1.634 CV     1
 ASSI {  574}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.800     0.700     0.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.11252E-02 ppm1      8.694 ppm2      0.872 CV     1
 ASSI {  575}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
      4.300     0.900     0.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.42912E-03 ppm1      8.696 ppm2      0.760 CV     1
 ASSI {  576}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.000     0.400     0.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.26706E-02 ppm1      8.693 ppm2      1.957 CV     1
 ASSI {  577}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      4.400     4.400     1.600 peak   577 spectrum    1 weight  0.10000E+01 volume  0.32567E-03 ppm1      8.697 ppm2      1.739 CV     1
 ASSI {  578}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      3.500     0.600     0.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.76930E-03 ppm1      8.694 ppm2      1.449 CV     1
 ASSI {  579}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.700     0.700     0.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.10156E-02 ppm1      8.693 ppm2      0.817 CV     1
 ASSI {  580}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.700     1.100     1.100 peak   580 spectrum    1 weight  0.10000E+01 volume  0.31457E-03 ppm1      8.689 ppm2      5.027 CV     1
 ASSI {  581}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.600     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.86185E-03 ppm1      8.685 ppm2      4.891 CV     1
 ASSI {  582}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     0.500     0.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.11560E-02 ppm1      8.686 ppm2      4.725 CV     1
 ASSI {  583}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.400     0.300     0.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.54233E-02 ppm1      8.685 ppm2      4.661 CV     1
 ASSI {  584}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      3.500     0.600     0.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.91341E-03 ppm1      8.693 ppm2      4.076 CV     1
 ASSI {  585}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     0.500     0.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.17964E-02 ppm1      8.686 ppm2      2.919 CV     1
 ASSI {  587}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      4.300     0.900     0.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.27955E-03 ppm1      8.686 ppm2      1.338 CV     1
 ASSI {  588}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      4.100     0.900     0.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.43718E-03 ppm1      8.695 ppm2      1.153 CV     1
 ASSI {  590}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.000     0.500     0.500 peak   590 spectrum    1 weight  0.10000E+01 volume  0.14350E-02 ppm1      8.686 ppm2      2.882 CV     1
 ASSI {  591}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.700     0.700     0.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.50827E-03 ppm1      8.686 ppm2      2.594 CV     1
 ASSI {  592}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      4.300     0.900     0.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.46222E-03 ppm1      8.688 ppm2      2.208 CV     1
 ASSI {  593}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     3.300     2.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10879E-02 ppm1      8.669 ppm2      4.533 CV     1
 ASSI {  594}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.400     0.400 peak   594 spectrum    1 weight  0.10000E+01 volume  0.40003E-02 ppm1      8.669 ppm2      4.392 CV     1
 ASSI {  596}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.400     1.000     1.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.25279E-03 ppm1      8.670 ppm2      2.382 CV     1
 ASSI {  597}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.100     0.500     0.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.33853E-02 ppm1      8.668 ppm2      2.028 CV     1
 ASSI {  598}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     3.100     2.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.11560E-02 ppm1      8.669 ppm2      1.817 CV     1
 ASSI {  600}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.200     0.200     0.200 peak   600 spectrum    1 weight  0.10000E+01 volume  0.10110E-01 ppm1      8.650 ppm2      5.544 CV     1
 ASSI {  601}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.200     0.500     0.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      8.648 ppm2      4.852 CV     1
 ASSI {  602}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.200     0.900     0.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.39951E-03 ppm1      8.648 ppm2      4.621 CV     1
 ASSI {  603}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.300     0.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.33792E-02 ppm1      8.648 ppm2      1.916 CV     1
 ASSI {  605}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      3.100     0.500     0.500 peak   605 spectrum    1 weight  0.10000E+01 volume  0.16542E-02 ppm1      8.647 ppm2      1.391 CV     1
 ASSI {  606}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      4.300     0.900     0.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.34225E-03 ppm1      8.651 ppm2      1.052 CV     1
 ASSI {  608}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      2.600     2.600     3.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.87796E-03 ppm1      8.650 ppm2      0.824 CV     1
 ASSI {  609}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.400     0.600     0.600 peak   609 spectrum    1 weight  0.10000E+01 volume  0.17011E-02 ppm1      8.648 ppm2      0.777 CV     1
 ASSI {  610}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.200     0.900     0.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.40269E-03 ppm1      8.650 ppm2      0.646 CV     1
 ASSI {  611}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.800     1.100     1.100 peak   611 spectrum    1 weight  0.10000E+01 volume  0.30174E-03 ppm1      8.648 ppm2      5.233 CV     1
 ASSI {  612}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.300     0.500     0.500 peak   612 spectrum    1 weight  0.10000E+01 volume  0.14709E-02 ppm1      8.638 ppm2      4.749 CV     1
 ASSI {  613}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.800     3.800     2.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.45315E-03 ppm1      8.632 ppm2      4.463 CV     1
 ASSI {  615}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB3 ))
      4.700     1.100     1.100 peak   615 spectrum    1 weight  0.10000E+01 volume  0.21086E-03 ppm1      8.638 ppm2      2.790 CV     1
 ASSI {  617}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      4.000     0.800     0.800 peak   617 spectrum    1 weight  0.10000E+01 volume  0.31384E-03 ppm1      8.638 ppm2      2.184 CV     1
 ASSI {  618}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      2.900     0.400     0.400 peak   618 spectrum    1 weight  0.10000E+01 volume  0.32171E-02 ppm1      8.650 ppm2      2.028 CV     1
 ASSI {  619}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     3.300     2.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.12932E-02 ppm1      8.695 ppm2      4.411 CV     1
 ASSI {  622}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.900     0.700     0.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.78310E-03 ppm1      8.630 ppm2      4.528 CV     1
 ASSI {  624}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      5.500     1.500     0.500 peak   624 spectrum    1 weight  0.10000E+01 volume  0.15561E-03 ppm1      8.628 ppm2      2.242 CV     1
 ASSI {  625}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG3 ))
      4.700     1.100     1.100 peak   625 spectrum    1 weight  0.10000E+01 volume  0.38512E-03 ppm1      8.629 ppm2      2.124 CV     1
 ASSI {  627}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.500     0.600     0.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.80706E-03 ppm1      8.630 ppm2      0.816 CV     1
 ASSI {  628}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.200     3.200     2.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      8.629 ppm2      0.707 CV     1
 ASSI {  629}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.800     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.76885E-03 ppm1      8.629 ppm2      0.630 CV     1
 ASSI {  630}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      4.100     0.900     0.900 peak   630 spectrum    1 weight  0.10000E+01 volume  0.33295E-03 ppm1      8.629 ppm2      0.414 CV     1
 ASSI {  632}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.300     0.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.66985E-02 ppm1      8.545 ppm2      4.698 CV     1
 ASSI {  633}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.700     0.700     0.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.11054E-02 ppm1      8.545 ppm2      2.240 CV     1
 ASSI {  634}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG3 ))
      3.400     3.400     2.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.65744E-03 ppm1      8.545 ppm2      2.122 CV     1
 ASSI {  635}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.700     0.400     0.400 peak   635 spectrum    1 weight  0.10000E+01 volume  0.31234E-02 ppm1      8.544 ppm2      1.859 CV     1
 ASSI {  636}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.400     0.600     0.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1      8.545 ppm2      1.738 CV     1
 ASSI {  637}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HG3 ))
      3.900     0.800     0.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.58284E-03 ppm1      8.545 ppm2      1.674 CV     1
 ASSI {  638}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HD3 ))
      3.500     3.500     2.500 peak   638 spectrum    1 weight  0.10000E+01 volume  0.13259E-03 ppm1      8.545 ppm2      3.312 CV     1
 OR {  638}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HD2 ))
 ASSI {  639}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.900     0.800     0.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.79830E-03 ppm1      8.650 ppm2      0.711 CV     1
 ASSI {  641}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      3.700     0.700     0.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.89360E-03 ppm1      8.515 ppm2      1.051 CV     1
 ASSI {  642}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      3.500     3.500     2.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.13043E-03 ppm1      8.515 ppm2      0.825 CV     1
 ASSI {  643}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     0.400     0.400 peak   643 spectrum    1 weight  0.10000E+01 volume  0.20920E-02 ppm1      8.513 ppm2      5.232 CV     1
 ASSI {  644}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.300     0.300     0.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.74445E-02 ppm1      8.511 ppm2      4.485 CV     1
 ASSI {  645}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.000     0.800     0.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.94010E-03 ppm1      8.513 ppm2      2.060 CV     1
 ASSI {  647}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.600     0.300     0.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.34173E-02 ppm1      8.513 ppm2      1.561 CV     1
 OR {  647}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  648}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      4.400     1.000     1.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.56397E-03 ppm1      8.512 ppm2      1.390 CV     1
 OR {  648}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  649}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      3.700     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      8.513 ppm2      0.882 CV     1
 ASSI {  650}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.400     0.300     0.300 peak   650 spectrum    1 weight  0.10000E+01 volume  0.60218E-02 ppm1      8.508 ppm2      4.855 CV     1
 ASSI {  651}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     0.500     0.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.19382E-02 ppm1      8.508 ppm2      4.259 CV     1
 ASSI {  653}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.900     0.800     0.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.60680E-03 ppm1      8.508 ppm2      2.897 CV     1
 ASSI {  654}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.100     0.500     0.500 peak   654 spectrum    1 weight  0.10000E+01 volume  0.36960E-02 ppm1      8.508 ppm2      1.849 CV     1
 ASSI {  655}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.700     0.400     0.400 peak   655 spectrum    1 weight  0.10000E+01 volume  0.27771E-02 ppm1      8.508 ppm2      1.787 CV     1
 ASSI {  656}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HD3 ))
      4.200     0.900     0.900 peak   656 spectrum    1 weight  0.10000E+01 volume  0.77575E-03 ppm1      8.509 ppm2      1.723 CV     1
 OR {  656}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HD2 ))
 ASSI {  658}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     2.600     3.400 peak   658 spectrum    1 weight  0.10000E+01 volume  0.76009E-03 ppm1      8.458 ppm2      4.891 CV     1
 ASSI {  660}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.800     1.200     1.200 peak   660 spectrum    1 weight  0.10000E+01 volume  0.26794E-03 ppm1      8.453 ppm2      5.413 CV     1
 ASSI {  661}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      3.200     0.500     0.500 peak   661 spectrum    1 weight  0.10000E+01 volume  0.20639E-02 ppm1      8.456 ppm2      4.483 CV     1
 ASSI {  662}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      3.500     0.600     0.600 peak   662 spectrum    1 weight  0.10000E+01 volume  0.72464E-03 ppm1      8.456 ppm2      3.541 CV     1
 ASSI {  663}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.86599E-03 ppm1      8.457 ppm2      3.298 CV     1
 ASSI {  665}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.400     1.000     1.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.63348E-03 ppm1      8.456 ppm2      0.922 CV     1
 ASSI {  666}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     0.400     0.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.24038E-02 ppm1      8.456 ppm2      4.580 CV     1
 ASSI {  667}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.600     0.300     0.300 peak   667 spectrum    1 weight  0.10000E+01 volume  0.33561E-02 ppm1      8.456 ppm2      2.899 CV     1
 ASSI {  668}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.700     0.700     0.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.20879E-02 ppm1      8.455 ppm2      2.627 CV     1
 ASSI {  669}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.700     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.81257E-03 ppm1      8.453 ppm2      2.140 CV     1
 ASSI {  670}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     3.400     2.600 peak   670 spectrum    1 weight  0.10000E+01 volume  0.10276E-02 ppm1      8.453 ppm2      1.732 CV     1
 OR {  670}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
 ASSI {  671}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      2.600     0.300     0.300 peak   671 spectrum    1 weight  0.10000E+01 volume  0.42599E-02 ppm1      8.456 ppm2      1.674 CV     1
 ASSI {  672}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     0.400     0.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.35099E-02 ppm1      8.454 ppm2      1.639 CV     1
 ASSI {  673}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      4.100     0.800     0.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.77804E-03 ppm1      8.454 ppm2      1.153 CV     1
 ASSI {  674}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.200     0.900     0.900 peak   674 spectrum    1 weight  0.10000E+01 volume  0.96956E-03 ppm1      8.455 ppm2      0.877 CV     1
 ASSI {  675}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      4.400     1.000     1.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.33768E-03 ppm1      8.454 ppm2      0.823 CV     1
 ASSI {  676}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      4.100     0.900     0.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.39975E-03 ppm1      8.454 ppm2      0.785 CV     1
 ASSI {  677}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.300     0.300 peak   677 spectrum    1 weight  0.10000E+01 volume  0.49032E-02 ppm1      8.452 ppm2      5.015 CV     1
 ASSI {  678}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     0.400     0.400 peak   678 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      8.453 ppm2      4.628 CV     1
 ASSI {  679}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     0.500     0.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.16974E-02 ppm1      8.445 ppm2      4.429 CV     1
 ASSI {  680}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     2.600     3.400 peak   680 spectrum    1 weight  0.10000E+01 volume  0.31698E-02 ppm1      8.443 ppm2      4.095 CV     1
 ASSI {  681}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.200     0.900     0.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.45821E-03 ppm1      8.446 ppm2      2.356 CV     1
 OR {  681}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  682}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.100     0.500     0.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.12739E-02 ppm1      8.445 ppm2      2.016 CV     1
 ASSI {  683}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.100     0.500     0.500 peak   683 spectrum    1 weight  0.10000E+01 volume  0.21914E-02 ppm1      8.445 ppm2      1.917 CV     1
 ASSI {  684}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      4.200     0.900     0.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.12251E-02 ppm1      8.446 ppm2      1.850 CV     1
 ASSI {  685}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.800     0.400     0.400 peak   685 spectrum    1 weight  0.10000E+01 volume  0.20441E-02 ppm1      8.451 ppm2      1.474 CV     1
 ASSI {  687}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     0.500     0.500 peak   687 spectrum    1 weight  0.10000E+01 volume  0.17798E-02 ppm1      8.445 ppm2      4.297 CV     1
 ASSI {  688}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.900     0.800     0.800 peak   688 spectrum    1 weight  0.10000E+01 volume  0.44639E-03 ppm1      8.445 ppm2      4.235 CV     1
 ASSI {  689}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
      2.800     0.400     0.400 peak   689 spectrum    1 weight  0.10000E+01 volume  0.32499E-02 ppm1      8.445 ppm2      3.971 CV     1
 OR {  689}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA2 ))
 ASSI {  691}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      5.500     1.500     0.500 peak   691 spectrum    1 weight  0.10000E+01 volume  0.15446E-03 ppm1      8.411 ppm2      3.297 CV     1
 ASSI {  692}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.300     0.300 peak   692 spectrum    1 weight  0.10000E+01 volume  0.55245E-02 ppm1      8.410 ppm2      4.624 CV     1
 ASSI {  695}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.800     0.400     0.400 peak   695 spectrum    1 weight  0.10000E+01 volume  0.28636E-02 ppm1      8.410 ppm2      2.705 CV     1
 ASSI {  696}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.400     0.600     0.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.10193E-02 ppm1      8.410 ppm2      2.045 CV     1
 ASSI {  697}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HD3 ))
      3.600     0.600     0.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.82041E-03 ppm1      8.410 ppm2      1.608 CV     1
 OR {  697}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI {  698}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     0.600     0.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.96035E-03 ppm1      8.410 ppm2      1.488 CV     1
 OR {  698}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  699}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
      5.000     1.300     1.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.18250E-03 ppm1      8.410 ppm2      1.121 CV     1
 OR {  699}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  700}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      5.000     1.200     1.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.27203E-03 ppm1      8.408 ppm2      4.895 CV     1
 ASSI {  701}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
      4.200     0.900     0.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.52070E-03 ppm1      8.410 ppm2      1.665 CV     1
 OR {  701}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 26   and name HD3 ))
 ASSI {  702}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      4.000     0.800     0.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.47927E-03 ppm1      8.352 ppm2      2.027 CV     1
 ASSI {  703}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.300     0.300 peak   703 spectrum    1 weight  0.10000E+01 volume  0.64086E-02 ppm1      8.356 ppm2      4.906 CV     1
 ASSI {  704}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.300     0.600     0.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.83191E-03 ppm1      8.359 ppm2      2.898 CV     1
 ASSI {  706}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     0.400     0.400 peak   706 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      8.355 ppm2      2.157 CV     1
 ASSI {  707}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      4.300     0.900     0.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.98845E-03 ppm1      8.355 ppm2      1.930 CV     1
 ASSI {  708}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG3 ))
      3.600     0.700     0.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      8.359 ppm2      1.441 CV     1
 OR {  708}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI {  709}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.400     1.000     1.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.31182E-03 ppm1      8.354 ppm2      1.565 CV     1
 OR {  709}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  711}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.800     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.39579E-03 ppm1      8.354 ppm2      2.381 CV     1
 ASSI {  712}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HD3 ))
      2.400     0.300     0.300 peak   712 spectrum    1 weight  0.10000E+01 volume  0.59711E-02 ppm1      8.353 ppm2      1.683 CV     1
 OR {  712}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HD2 ))
 ASSI {  713}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.800     1.200     1.200 peak   713 spectrum    1 weight  0.10000E+01 volume  0.14521E-03 ppm1      8.353 ppm2      1.052 CV     1
 ASSI {  714}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.200     0.900     0.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.32480E-03 ppm1      8.358 ppm2      0.909 CV     1
 ASSI {  717}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.700     0.700     0.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      8.351 ppm2      4.623 CV     1
 ASSI {  719}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG3 ))
      5.000     1.300     1.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.28732E-03 ppm1      8.351 ppm2      2.490 CV     1
 ASSI {  720}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     0.400     0.400 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13876E-02 ppm1      8.351 ppm2      2.063 CV     1
 ASSI {  721}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.300     0.600     0.600 peak   721 spectrum    1 weight  0.10000E+01 volume  0.11933E-02 ppm1      8.350 ppm2      1.354 CV     1
 OR {  721}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  722}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      3.900     0.800     0.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.79139E-03 ppm1      8.351 ppm2      0.849 CV     1
 ASSI {  723}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      4.200     0.900     0.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.55293E-03 ppm1      8.350 ppm2      0.784 CV     1
 ASSI {  724}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.500     0.600     0.600 peak   724 spectrum    1 weight  0.10000E+01 volume  0.95392E-03 ppm1      8.330 ppm2      1.467 CV     1
 OR {  724}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI {  725}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     0.400     0.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.33907E-02 ppm1      8.329 ppm2      4.575 CV     1
 ASSI {  726}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.500     0.600     0.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.85309E-03 ppm1      8.328 ppm2      4.259 CV     1
 ASSI {  727}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      5.000     1.200     1.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.28669E-03 ppm1      8.328 ppm2      3.765 CV     1
 ASSI {  730}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.600     0.600     0.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.11837E-02 ppm1      8.329 ppm2      2.342 CV     1
 ASSI {  731}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.800     0.700     0.700 peak   731 spectrum    1 weight  0.10000E+01 volume  0.82456E-03 ppm1      8.329 ppm2      1.849 CV     1
 ASSI {  732}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.900     0.800     0.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.80567E-03 ppm1      8.329 ppm2      1.786 CV     1
 ASSI {  733}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.400     1.000     1.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.32263E-03 ppm1      8.328 ppm2      4.854 CV     1
 ASSI {  734}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      4.700     1.100     1.100 peak   734 spectrum    1 weight  0.10000E+01 volume  0.15469E-03 ppm1      8.330 ppm2     -0.066 CV     1
 ASSI {  735}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.200     0.500     0.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.14649E-02 ppm1      8.240 ppm2      4.466 CV     1
 ASSI {  736}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.800     0.700     0.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.58838E-03 ppm1      8.240 ppm2      4.232 CV     1
 ASSI {  737}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      4.900     1.200     1.100 peak   737 spectrum    1 weight  0.10000E+01 volume  0.17840E-03 ppm1      8.240 ppm2      2.184 CV     1
 ASSI {  738}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      4.600     1.000     1.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.42936E-03 ppm1      8.240 ppm2      1.218 CV     1
 ASSI {  740}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      5.200     1.300     0.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.14857E-03 ppm1      8.202 ppm2      2.829 CV     1
 ASSI {  741}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.200     0.900     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.12140E-02 ppm1      8.199 ppm2      4.741 CV     1
 ASSI {  742}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.400     0.300     0.300 peak   742 spectrum    1 weight  0.10000E+01 volume  0.76009E-02 ppm1      8.194 ppm2      4.580 CV     1
 ASSI {  743}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      3.000     0.400     0.400 peak   743 spectrum    1 weight  0.10000E+01 volume  0.17826E-02 ppm1      8.200 ppm2      4.278 CV     1
 ASSI {  744}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     0.400     0.400 peak   744 spectrum    1 weight  0.10000E+01 volume  0.26054E-02 ppm1      8.200 ppm2      3.992 CV     1
 ASSI {  746}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      5.300     1.400     0.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.15193E-03 ppm1      8.200 ppm2      2.068 CV     1
 ASSI {  748}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      2.800     2.800     3.200 peak   748 spectrum    1 weight  0.10000E+01 volume  0.19018E-02 ppm1      8.201 ppm2      1.324 CV     1
 ASSI {  749}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      3.800     0.700     0.700 peak   749 spectrum    1 weight  0.10000E+01 volume  0.11924E-02 ppm1      8.194 ppm2      0.911 CV     1
 ASSI {  750}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
      3.700     0.700     0.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.92354E-03 ppm1      8.194 ppm2      0.875 CV     1
 ASSI {  751}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG13))
      3.500     3.500     2.500 peak   751 spectrum    1 weight  0.10000E+01 volume  0.76285E-03 ppm1      8.193 ppm2      1.150 CV     1
 OR {  751}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG12))
 ASSI {  753}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.800     1.100     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.22066E-03 ppm1      8.181 ppm2      5.455 CV     1
 ASSI {  754}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     0.500     0.500 peak   754 spectrum    1 weight  0.10000E+01 volume  0.11878E-02 ppm1      8.193 ppm2      5.006 CV     1
 ASSI {  755}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      5.100     1.300     0.900 peak   755 spectrum    1 weight  0.10000E+01 volume  0.20694E-03 ppm1      8.181 ppm2      4.344 CV     1
 ASSI {  756}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      4.100     0.800     0.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.33613E-03 ppm1      8.181 ppm2      2.336 CV     1
 ASSI {  757}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      3.300     3.300     2.700 peak   757 spectrum    1 weight  0.10000E+01 volume  0.20570E-02 ppm1      8.191 ppm2      1.680 CV     1
 ASSI {  758}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     0.400     0.400 peak   758 spectrum    1 weight  0.10000E+01 volume  0.16657E-02 ppm1      8.180 ppm2      4.700 CV     1
 ASSI {  759}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.200     0.500     0.500 peak   759 spectrum    1 weight  0.10000E+01 volume  0.16426E-02 ppm1      8.180 ppm2      4.505 CV     1
 ASSI {  760}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
      3.700     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.47927E-03 ppm1      8.180 ppm2      2.249 CV     1
 ASSI {  761}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.600     0.300     0.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.36670E-02 ppm1      8.180 ppm2      1.906 CV     1
 OR {  761}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI {  762}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
      3.800     0.700     0.700 peak   762 spectrum    1 weight  0.10000E+01 volume  0.90695E-03 ppm1      8.180 ppm2      1.748 CV     1
 ASSI {  763}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      4.700     1.100     1.100 peak   763 spectrum    1 weight  0.10000E+01 volume  0.21569E-03 ppm1      8.180 ppm2      0.974 CV     1
 ASSI {  764}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HD3 ))
      5.600     1.600     0.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.14728E-03 ppm1      8.179 ppm2      3.314 CV     1
 OR {  764}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HD2 ))
 ASSI {  767}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     0.400     0.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.17854E-02 ppm1      8.105 ppm2      5.033 CV     1
 ASSI {  768}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.800     1.100     1.100 peak   768 spectrum    1 weight  0.10000E+01 volume  0.31439E-03 ppm1      8.102 ppm2      4.727 CV     1
 ASSI {  769}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.200     0.200     0.200 peak   769 spectrum    1 weight  0.10000E+01 volume  0.65513E-02 ppm1      8.104 ppm2      4.565 CV     1
 ASSI {  770}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     0.500     0.500 peak   770 spectrum    1 weight  0.10000E+01 volume  0.11533E-02 ppm1      8.105 ppm2      4.102 CV     1
 ASSI {  771}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      4.600     1.100     1.100 peak   771 spectrum    1 weight  0.10000E+01 volume  0.31026E-03 ppm1      8.105 ppm2      4.016 CV     1
 ASSI {  772}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG3 ))
      2.600     0.300     0.300 peak   772 spectrum    1 weight  0.10000E+01 volume  0.36969E-02 ppm1      8.104 ppm2      2.353 CV     1
 OR {  772}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  773}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     0.600     0.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.17794E-02 ppm1      8.105 ppm2      2.252 CV     1
 ASSI {  774}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.400     0.300     0.300 peak   774 spectrum    1 weight  0.10000E+01 volume  0.29985E-02 ppm1      8.104 ppm2      1.843 CV     1
 ASSI {  775}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.800     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.89638E-03 ppm1      8.105 ppm2      1.338 CV     1
 ASSI {  776}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     0.500     0.500 peak   776 spectrum    1 weight  0.10000E+01 volume  0.94104E-03 ppm1      8.090 ppm2      5.086 CV     1
 ASSI {  780}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      4.200     0.900     0.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.30303E-03 ppm1      8.089 ppm2     -0.065 CV     1
 ASSI {  781}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      4.300     0.900     0.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.55615E-03 ppm1      8.081 ppm2      1.394 CV     1
 OR {  781}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  782}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.400     0.400 peak   782 spectrum    1 weight  0.10000E+01 volume  0.33453E-02 ppm1      8.078 ppm2      4.464 CV     1
 ASSI {  783}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.300     3.300     2.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11837E-02 ppm1      8.078 ppm2      2.983 CV     1
 OR {  783}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  784}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.000     0.800     0.800 peak   784 spectrum    1 weight  0.10000E+01 volume  0.97833E-03 ppm1      8.078 ppm2      2.060 CV     1
 ASSI {  785}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG  ))
      4.400     1.000     1.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.39647E-03 ppm1      8.078 ppm2      1.649 CV     1
 ASSI {  786}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.400     0.600     0.600 peak   786 spectrum    1 weight  0.10000E+01 volume  0.13558E-02 ppm1      8.078 ppm2      1.563 CV     1
 OR {  786}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  787}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.900     0.400     0.400 peak   787 spectrum    1 weight  0.10000E+01 volume  0.26869E-02 ppm1      8.077 ppm2      4.536 CV     1
 ASSI {  788}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HD3 ))
      3.200     3.200     2.800 peak   788 spectrum    1 weight  0.10000E+01 volume  0.22582E-03 ppm1      8.076 ppm2      1.682 CV     1
 ASSI {  789}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 61   and name HD2%)
      2.800     2.800     3.200 peak   789 spectrum    1 weight  0.10000E+01 volume  0.48203E-03 ppm1      8.078 ppm2      0.887 CV     1
 ASSI {  790}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.400     0.600     0.600 peak   790 spectrum    1 weight  0.10000E+01 volume  0.92997E-03 ppm1      8.033 ppm2      4.392 CV     1
 ASSI {  791}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
      2.900     2.900     3.100 peak   791 spectrum    1 weight  0.10000E+01 volume  0.24733E-02 ppm1      8.033 ppm2      3.969 CV     1
 OR {  791}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA2 ))
 ASSI {  792}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.000     0.800     0.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.62842E-03 ppm1      8.033 ppm2      1.813 CV     1
 ASSI {  793}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.000     0.400     0.400 peak   793 spectrum    1 weight  0.10000E+01 volume  0.17200E-02 ppm1      8.032 ppm2      1.699 CV     1
 ASSI {  794}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.100     0.800     0.800 peak   794 spectrum    1 weight  0.10000E+01 volume  0.42458E-03 ppm1      8.033 ppm2      1.411 CV     1
 ASSI {  795}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG3 ))
      4.600     1.000     1.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.28384E-03 ppm1      8.033 ppm2      1.347 CV     1
 ASSI {  796}
   (( segid "    " and resid 35   and name HD21))
   (( segid "    " and resid 35   and name HA  ))
      4.000     0.800     0.800 peak   796 spectrum    1 weight  0.10000E+01 volume  0.38295E-03 ppm1      7.941 ppm2      4.738 CV     1
 ASSI {  799}
   (( segid "    " and resid 35   and name HD21))
   (  segid "    " and resid 37   and name HG2%)
      4.200     0.900     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.34977E-03 ppm1      7.941 ppm2      1.327 CV     1
 ASSI {  800}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 40   and name HA  ))
      5.400     1.500     0.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.20151E-03 ppm1      7.932 ppm2      4.584 CV     1
 ASSI {  801}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HA  ))
      4.100     0.800     0.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.63348E-03 ppm1      7.931 ppm2      4.855 CV     1
 ASSI {  803}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HB3 ))
      2.600     0.300     0.300 peak   803 spectrum    1 weight  0.10000E+01 volume  0.20538E-02 ppm1      7.932 ppm2      2.896 CV     1
 ASSI {  804}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     0.500     0.500 peak   804 spectrum    1 weight  0.10000E+01 volume  0.20156E-02 ppm1      7.827 ppm2      4.026 CV     1
 ASSI {  807}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      4.900     4.900     1.100 peak   807 spectrum    1 weight  0.10000E+01 volume  0.36173E-03 ppm1      7.827 ppm2      1.328 CV     1
 ASSI {  808}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      2.500     0.300     0.300 peak   808 spectrum    1 weight  0.10000E+01 volume  0.52530E-02 ppm1      7.827 ppm2      1.202 CV     1
 ASSI {  810}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      3.100     0.500     0.500 peak   810 spectrum    1 weight  0.10000E+01 volume  0.19378E-02 ppm1      7.827 ppm2     -0.065 CV     1
 ASSI {  811}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     0.500     0.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.11054E-02 ppm1      7.793 ppm2      5.458 CV     1
 ASSI {  812}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     0.500     0.500 peak   812 spectrum    1 weight  0.10000E+01 volume  0.15358E-02 ppm1      7.793 ppm2      4.535 CV     1
 ASSI {  813}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.700     0.700     0.700 peak   813 spectrum    1 weight  0.10000E+01 volume  0.15943E-02 ppm1      7.790 ppm2      2.661 CV     1
 ASSI {  814}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      3.300     0.500     0.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.86093E-03 ppm1      7.792 ppm2      2.543 CV     1
 ASSI {  816}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      3.400     0.600     0.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.13917E-02 ppm1      7.793 ppm2      1.456 CV     1
 ASSI {  817}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      5.100     1.300     0.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.18903E-03 ppm1      7.778 ppm2      3.875 CV     1
 ASSI {  818}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.600     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.74353E-03 ppm1      7.780 ppm2      2.351 CV     1
 OR {  818}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  819}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     0.400     0.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.17605E-02 ppm1      7.778 ppm2      4.897 CV     1
 ASSI {  820}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     0.600     0.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.10511E-02 ppm1      7.778 ppm2      4.429 CV     1
 ASSI {  821}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.800     0.700     0.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.12154E-02 ppm1      7.778 ppm2      4.101 CV     1
 ASSI {  823}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      4.100     0.800     0.800 peak   823 spectrum    1 weight  0.10000E+01 volume  0.51609E-03 ppm1      7.778 ppm2      1.916 CV     1
 ASSI {  825}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD3 ))
      3.900     0.700     0.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.75594E-03 ppm1      7.756 ppm2      3.778 CV     1
 ASSI {  826}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.100     0.800     0.800 peak   826 spectrum    1 weight  0.10000E+01 volume  0.45946E-03 ppm1      7.776 ppm2      2.011 CV     1
 ASSI {  827}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     0.400     0.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.27531E-02 ppm1      7.754 ppm2      4.535 CV     1
 ASSI {  828}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.500     0.600     0.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.61968E-03 ppm1      7.755 ppm2      4.130 CV     1
 ASSI {  829}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      3.800     0.700     0.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.35229E-03 ppm1      7.755 ppm2      3.875 CV     1
 ASSI {  830}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      4.400     1.000     1.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.35895E-03 ppm1      7.756 ppm2      3.655 CV     1
 ASSI {  831}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.300     0.900     0.900 peak   831 spectrum    1 weight  0.10000E+01 volume  0.23585E-03 ppm1      7.754 ppm2      2.083 CV     1
 ASSI {  833}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      2.600     0.300     0.300 peak   833 spectrum    1 weight  0.10000E+01 volume  0.41103E-02 ppm1      7.755 ppm2      1.455 CV     1
 ASSI {  835}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.900     0.800     0.800 peak   835 spectrum    1 weight  0.10000E+01 volume  0.42867E-03 ppm1      7.744 ppm2      2.689 CV     1
 ASSI {  836}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      4.500     1.000     1.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.46500E-03 ppm1      7.743 ppm2      2.204 CV     1
 ASSI {  837}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      5.000     5.000     1.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.36241E-03 ppm1      7.743 ppm2      1.329 CV     1
 ASSI {  838}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.300     0.500     0.500 peak   838 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      7.742 ppm2      3.048 CV     1
 ASSI {  839}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      4.500     1.000     1.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.31104E-03 ppm1      7.743 ppm2      0.706 CV     1
 ASSI {  840}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     0.600     0.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.81672E-03 ppm1      7.742 ppm2      4.027 CV     1
 ASSI {  841}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.900     0.400     0.400 peak   841 spectrum    1 weight  0.10000E+01 volume  0.13006E-02 ppm1      7.744 ppm2      3.392 CV     1
 ASSI {  842}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      3.300     0.600     0.600 peak   842 spectrum    1 weight  0.10000E+01 volume  0.14382E-02 ppm1      7.739 ppm2      1.201 CV     1
 ASSI {  843}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.600     0.700     0.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.20082E-02 ppm1      7.743 ppm2      0.781 CV     1
 ASSI {  845}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      5.300     5.300     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.18019E-03 ppm1      7.743 ppm2      0.674 CV     1
 OR {  845}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI {  846}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.300     0.300 peak   846 spectrum    1 weight  0.10000E+01 volume  0.85356E-02 ppm1      7.677 ppm2      4.726 CV     1
 ASSI {  847}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     0.500     0.500 peak   847 spectrum    1 weight  0.10000E+01 volume  0.13379E-02 ppm1      7.677 ppm2      4.566 CV     1
 ASSI {  848}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      4.300     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.29686E-03 ppm1      7.677 ppm2      2.883 CV     1
 ASSI {  849}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      5.100     1.300     0.900 peak   849 spectrum    1 weight  0.10000E+01 volume  0.23623E-03 ppm1      7.677 ppm2      2.298 CV     1
 ASSI {  850}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.300     0.300 peak   850 spectrum    1 weight  0.10000E+01 volume  0.44851E-02 ppm1      7.677 ppm2      1.806 CV     1
 OR {  850}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  851}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.300     0.900     0.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.53773E-03 ppm1      7.677 ppm2      3.074 CV     1
 ASSI {  852}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG3 ))
      5.000     1.200     1.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.21836E-03 ppm1      7.676 ppm2      2.254 CV     1
 ASSI {  853}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      5.000     1.300     1.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.24346E-03 ppm1      7.647 ppm2      5.412 CV     1
 ASSI {  855}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     0.500     0.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.12559E-02 ppm1      7.647 ppm2      1.446 CV     1
 ASSI {  856}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      3.200     0.500     0.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.67308E-03 ppm1      7.648 ppm2      1.285 CV     1
 ASSI {  857}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.400     0.600     0.600 peak   857 spectrum    1 weight  0.10000E+01 volume  0.18880E-02 ppm1      7.646 ppm2      1.202 CV     1
 ASSI {  859}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      2.800     2.800     3.200 peak   859 spectrum    1 weight  0.10000E+01 volume  0.19967E-02 ppm1      7.646 ppm2      0.713 CV     1
 ASSI {  861}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     0.500     0.500 peak   861 spectrum    1 weight  0.10000E+01 volume  0.15975E-02 ppm1      7.645 ppm2      4.543 CV     1
 ASSI {  862}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.800     1.100     1.100 peak   862 spectrum    1 weight  0.10000E+01 volume  0.63626E-03 ppm1      7.648 ppm2      4.412 CV     1
 ASSI {  864}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.600     0.700     0.700 peak   864 spectrum    1 weight  0.10000E+01 volume  0.16017E-02 ppm1      7.646 ppm2      1.622 CV     1
 ASSI {  865}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
      4.600     1.000     1.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.45753E-03 ppm1      7.647 ppm2      1.333 CV     1
 OR {  865}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HD3 ))
 ASSI {  866}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HA  ))
      5.800     1.700     0.200 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10133E-03 ppm1      7.639 ppm2      4.345 CV     1
 ASSI {  867}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HB2 ))
      4.900     4.900     1.100 peak   867 spectrum    1 weight  0.10000E+01 volume  0.37278E-03 ppm1      7.639 ppm2      3.064 CV     1
 ASSI {  868}
   (( segid "    " and resid 47   and name HD21))
   (  segid "    " and resid 46   and name HG1%)
      3.700     3.700     2.300 peak   868 spectrum    1 weight  0.10000E+01 volume  0.44980E-03 ppm1      7.640 ppm2      1.052 CV     1
 ASSI {  869}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HB3 ))
      2.900     2.900     3.100 peak   869 spectrum    1 weight  0.10000E+01 volume  0.13443E-02 ppm1      7.639 ppm2      2.878 CV     1
 ASSI {  871}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 17   and name HG3 ))
      4.900     1.200     1.100 peak   871 spectrum    1 weight  0.10000E+01 volume  0.14917E-03 ppm1      7.606 ppm2      2.360 CV     1
 OR {  871}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  872}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     0.500     0.500 peak   872 spectrum    1 weight  0.10000E+01 volume  0.13655E-02 ppm1      7.608 ppm2      5.033 CV     1
 ASSI {  873}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      5.400     1.500     0.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.17016E-03 ppm1      7.609 ppm2      2.249 CV     1
 ASSI {  874}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.500     0.600     0.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.56765E-03 ppm1      7.608 ppm2      1.847 CV     1
 ASSI {  875}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.300     0.300     0.300 peak   875 spectrum    1 weight  0.10000E+01 volume  0.66801E-02 ppm1      7.607 ppm2      4.550 CV     1
 ASSI {  876}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.500     0.300     0.300 peak   876 spectrum    1 weight  0.10000E+01 volume  0.42175E-02 ppm1      7.607 ppm2      4.016 CV     1
 ASSI {  877}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.600     0.700     0.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.76193E-03 ppm1      7.607 ppm2      1.745 CV     1
 ASSI {  878}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.600     0.600     0.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.15451E-02 ppm1      7.608 ppm2      0.705 CV     1
 ASSI {  879}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.500     3.500     2.500 peak   879 spectrum    1 weight  0.10000E+01 volume  0.71866E-03 ppm1      7.607 ppm2      0.630 CV     1
 ASSI {  880}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.700     0.700     0.700 peak   880 spectrum    1 weight  0.10000E+01 volume  0.14410E-02 ppm1      7.604 ppm2      1.337 CV     1
 ASSI {  882}
   (  segid "    " and resid 43   and name HZ% )
   (( segid "    " and resid 43   and name HE2 ))
      3.500     3.500     2.500 peak   882 spectrum    1 weight  0.10000E+01 volume  0.68413E-03 ppm1      7.596 ppm2      2.584 CV     1
 ASSI {  883}
   (  segid "    " and resid 43   and name HZ% )
   (( segid "    " and resid 43   and name HE3 ))
      3.500     3.500     2.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.67447E-03 ppm1      7.594 ppm2      2.526 CV     1
 ASSI {  885}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 41   and name HA  ))
      4.600     1.100     1.100 peak   885 spectrum    1 weight  0.10000E+01 volume  0.21670E-03 ppm1      7.559 ppm2      5.086 CV     1
 ASSI {  886}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 39   and name HA  ))
      4.300     0.900     0.900 peak   886 spectrum    1 weight  0.10000E+01 volume  0.32232E-03 ppm1      7.559 ppm2      4.260 CV     1
 ASSI {  887}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     0.400     0.400 peak   887 spectrum    1 weight  0.10000E+01 volume  0.20077E-02 ppm1      7.559 ppm2      4.007 CV     1
 ASSI {  888}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 38   and name HB2 ))
      5.000     1.300     1.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.35450E-03 ppm1      7.559 ppm2      3.765 CV     1
 ASSI {  889}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.800     0.700     0.700 peak   889 spectrum    1 weight  0.10000E+01 volume  0.60265E-03 ppm1      7.559 ppm2      3.007 CV     1
 ASSI {  890}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 38   and name HB3 ))
      3.200     3.200     2.800 peak   890 spectrum    1 weight  0.10000E+01 volume  0.95668E-03 ppm1      7.559 ppm2      2.884 CV     1
 ASSI {  891}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HB3 ))
      3.800     0.700     0.700 peak   891 spectrum    1 weight  0.10000E+01 volume  0.74996E-03 ppm1      7.559 ppm2      2.827 CV     1
 ASSI {  892}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 41   and name HB3 ))
      3.600     0.600     0.600 peak   892 spectrum    1 weight  0.10000E+01 volume  0.13466E-02 ppm1      7.435 ppm2      2.720 CV     1
 ASSI {  893}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.500     1.000     1.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.43452E-03 ppm1      7.557 ppm2      2.068 CV     1
 ASSI {  894}
   (( segid "    " and resid 42   and name HD1 ))
   (  segid "    " and resid 58   and name HG2%)
      5.500     1.500     0.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.91616E-04 ppm1      7.558 ppm2      0.780 CV     1
 ASSI {  895}
   (( segid "    " and resid 42   and name HD1 ))
   (  segid "    " and resid 33   and name HD2%)
      4.500     1.000     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.28296E-03 ppm1      7.559 ppm2      0.712 CV     1
 ASSI {  896}
   (( segid "    " and resid 42   and name HD1 ))
   (  segid "    " and resid 33   and name HD1%)
      5.600     1.600     0.400 peak   896 spectrum    1 weight  0.10000E+01 volume  0.89407E-04 ppm1      7.558 ppm2      0.397 CV     1
 ASSI {  897}
   (( segid "    " and resid 42   and name HD1 ))
   (  segid "    " and resid 55   and name HB% )
      3.000     0.400     0.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.19787E-02 ppm1      7.559 ppm2     -0.066 CV     1
 ASSI {  899}
   (( segid "    " and resid 42   and name HZ2 ))
   (  segid "    " and resid 55   and name HB% )
      3.400     0.600     0.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.98016E-03 ppm1      7.548 ppm2     -0.067 CV     1
 ASSI {  900}
   (( segid "    " and resid 16   and name HE21))
   (( segid "    " and resid 16   and name HG3 ))
      3.600     0.700     0.700 peak   900 spectrum    1 weight  0.10000E+01 volume  0.32769E-03 ppm1      7.499 ppm2      2.250 CV     1
 ASSI {  901}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.100     0.500     0.500 peak   901 spectrum    1 weight  0.10000E+01 volume  0.16500E-02 ppm1      7.466 ppm2      5.085 CV     1
 ASSI {  904}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      4.300     0.900     0.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.74582E-03 ppm1      7.466 ppm2      1.328 CV     1
 ASSI {  905}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      2.700     2.700     3.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.67631E-03 ppm1      7.452 ppm2      1.203 CV     1
 ASSI {  906}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      2.500     0.300     0.300 peak   906 spectrum    1 weight  0.10000E+01 volume  0.53542E-02 ppm1      7.466 ppm2     -0.065 CV     1
 ASSI {  907}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.900     0.800     0.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.51978E-03 ppm1      7.448 ppm2      3.048 CV     1
 ASSI {  908}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HE3 ))
      3.400     3.400     2.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.88992E-03 ppm1      7.455 ppm2      2.945 CV     1
 OR {  908}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HE2 ))
 ASSI {  910}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.300     0.300 peak   910 spectrum    1 weight  0.10000E+01 volume  0.34157E-02 ppm1      7.448 ppm2      5.458 CV     1
 ASSI {  911}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     2.400     3.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.10313E-01 ppm1      7.453 ppm2      4.776 CV     1
 ASSI {  912}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.000     0.400     0.400 peak   912 spectrum    1 weight  0.10000E+01 volume  0.16473E-02 ppm1      7.448 ppm2      4.549 CV     1
 ASSI {  913}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      5.100     1.300     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.20676E-03 ppm1      7.449 ppm2      4.099 CV     1
 ASSI {  914}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.200     0.900     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.67584E-03 ppm1      7.448 ppm2      4.024 CV     1
 ASSI {  915}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      4.300     0.900     0.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.50643E-03 ppm1      7.447 ppm2      3.921 CV     1
 OR {  915}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
 ASSI {  917}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     2.800     3.200 peak   917 spectrum    1 weight  0.10000E+01 volume  0.19060E-02 ppm1      7.448 ppm2      2.274 CV     1
 OR {  917}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  918}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      4.400     1.000     1.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.28968E-03 ppm1      7.449 ppm2      2.208 CV     1
 ASSI {  919}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.100     0.900     0.900 peak   919 spectrum    1 weight  0.10000E+01 volume  0.47557E-03 ppm1      7.448 ppm2      1.916 CV     1
 ASSI {  920}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.500     0.600     0.600 peak   920 spectrum    1 weight  0.10000E+01 volume  0.10382E-02 ppm1      7.448 ppm2      1.746 CV     1
 ASSI {  921}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HG3 ))
      3.900     0.800     0.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.14700E-02 ppm1      7.449 ppm2      1.129 CV     1
 OR {  921}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  922}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.400     0.300     0.300 peak   922 spectrum    1 weight  0.10000E+01 volume  0.65329E-02 ppm1      7.448 ppm2      0.777 CV     1
 ASSI {  923}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.500     3.500     2.500 peak   923 spectrum    1 weight  0.10000E+01 volume  0.64959E-03 ppm1      7.448 ppm2      0.706 CV     1
 ASSI {  924}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.100     0.500     0.500 peak   924 spectrum    1 weight  0.10000E+01 volume  0.14498E-02 ppm1      7.448 ppm2      0.630 CV     1
 ASSI {  925}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.100     3.100     2.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.26195E-03 ppm1      7.437 ppm2      5.657 CV     1
 ASSI {  926}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 41   and name HB2 ))
      3.900     0.800     0.800 peak   926 spectrum    1 weight  0.10000E+01 volume  0.46222E-03 ppm1      7.435 ppm2      2.889 CV     1
 ASSI {  927}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      4.500     1.000     1.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.67678E-03 ppm1      7.444 ppm2      2.541 CV     1
 ASSI {  929}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.500     0.600     0.600 peak   929 spectrum    1 weight  0.10000E+01 volume  0.86093E-03 ppm1      7.464 ppm2      4.571 CV     1
 ASSI {  930}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 52   and name HB2 ))
      5.000     1.300     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.22062E-03 ppm1      7.437 ppm2      3.193 CV     1
 ASSI {  932}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HE2 ))
      2.800     2.800     3.200 peak   932 spectrum    1 weight  0.10000E+01 volume  0.47835E-03 ppm1      7.433 ppm2      2.588 CV     1
 ASSI {  934}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HD2 ))
      3.100     0.500     0.500 peak   934 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      7.434 ppm2      1.331 CV     1
 ASSI {  935}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HB3 ))
      2.400     2.400     3.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.13388E-02 ppm1      7.434 ppm2      1.285 CV     1
 ASSI {  936}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HG3 ))
      4.000     0.800     0.800 peak   936 spectrum    1 weight  0.10000E+01 volume  0.22122E-03 ppm1      7.434 ppm2      0.416 CV     1
 ASSI {  937}
   (( segid "    " and resid 52   and name HZ  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.200     3.200     2.800 peak   937 spectrum    1 weight  0.10000E+01 volume  0.22444E-03 ppm1      7.383 ppm2      2.707 CV     1
 ASSI {  938}
   (( segid "    " and resid 52   and name HZ  ))
   (( segid "    " and resid 43   and name HE2 ))
      3.300     3.300     2.700 peak   938 spectrum    1 weight  0.10000E+01 volume  0.17674E-03 ppm1      7.382 ppm2      2.586 CV     1
 ASSI {  939}
   (( segid "    " and resid 52   and name HZ  ))
   (( segid "    " and resid 43   and name HD2 ))
      3.300     0.500     0.500 peak   939 spectrum    1 weight  0.10000E+01 volume  0.81994E-03 ppm1      7.382 ppm2      1.332 CV     1
 ASSI {  941}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 24   and name HA  ))
      3.300     0.600     0.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.82962E-03 ppm1      7.349 ppm2      5.033 CV     1
 ASSI {  942}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.300     0.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      7.349 ppm2      4.726 CV     1
 ASSI {  943}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.300     0.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.42048E-02 ppm1      7.349 ppm2      3.076 CV     1
 ASSI {  944}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HB3 ))
      2.300     0.300     0.300 peak   944 spectrum    1 weight  0.10000E+01 volume  0.47051E-02 ppm1      7.349 ppm2      2.880 CV     1
 ASSI {  945}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 22   and name HG2 ))
      4.600     1.000     1.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.31945E-03 ppm1      7.349 ppm2      2.663 CV     1
 ASSI {  946}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 25   and name HG3 ))
      5.400     1.400     0.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.30009E-03 ppm1      7.349 ppm2      2.595 CV     1
 ASSI {  947}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 17   and name HB2 ))
      4.600     1.000     1.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.33950E-03 ppm1      7.349 ppm2      2.259 CV     1
 ASSI {  948}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 25   and name HE% )
      3.600     0.600     0.600 peak   948 spectrum    1 weight  0.10000E+01 volume  0.12730E-02 ppm1      7.349 ppm2      2.204 CV     1
 ASSI {  949}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 53   and name HB  ))
      3.800     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.49906E-03 ppm1      7.349 ppm2      1.790 CV     1
 ASSI {  950}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 53   and name HG1%)
      2.800     0.400     0.400 peak   950 spectrum    1 weight  0.10000E+01 volume  0.20423E-02 ppm1      7.349 ppm2      1.129 CV     1
 ASSI {  951}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      3.600     0.700     0.700 peak   951 spectrum    1 weight  0.10000E+01 volume  0.68919E-03 ppm1      7.349 ppm2      4.794 CV     1
 ASSI {  952}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 16   and name HA  ))
      4.500     1.000     1.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.19226E-03 ppm1      7.350 ppm2      4.562 CV     1
 ASSI {  953}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 17   and name HA  ))
      3.900     0.800     0.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.35850E-03 ppm1      7.350 ppm2      4.098 CV     1
 ASSI {  954}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 25   and name HG2 ))
      4.000     0.800     0.800 peak   954 spectrum    1 weight  0.10000E+01 volume  0.62705E-03 ppm1      7.349 ppm2      2.743 CV     1
 ASSI {  955}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 54   and name HD3 ))
      4.000     0.800     0.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.42267E-03 ppm1      7.349 ppm2      2.467 CV     1
 ASSI {  956}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 24   and name HG2%)
      4.900     1.200     1.100 peak   956 spectrum    1 weight  0.10000E+01 volume  0.17881E-03 ppm1      7.348 ppm2      1.335 CV     1
 ASSI {  957}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 54   and name HG3 ))
      3.400     0.600     0.600 peak   957 spectrum    1 weight  0.10000E+01 volume  0.79139E-03 ppm1      7.349 ppm2      0.676 CV     1
 OR {  957}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 54   and name HG2 ))
 ASSI {  958}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 53   and name HG2%)
      4.200     0.900     0.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.66618E-03 ppm1      7.349 ppm2      0.702 CV     1
 ASSI {  959}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HA  ))
      4.600     1.000     1.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.27189E-03 ppm1      7.279 ppm2      4.855 CV     1
 ASSI {  960}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HB2 ))
      4.800     1.100     1.100 peak   960 spectrum    1 weight  0.10000E+01 volume  0.32590E-03 ppm1      7.278 ppm2      3.764 CV     1
 ASSI {  962}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 41   and name HB3 ))
      5.900     1.700     0.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.25220E-03 ppm1      7.278 ppm2      2.715 CV     1
 ASSI {  963}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 54   and name HD3 ))
      5.400     5.400     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.16813E-03 ppm1      7.223 ppm2      2.471 CV     1
 ASSI {  968}
   (( segid "    " and resid 35   and name HD22))
   (( segid "    " and resid 35   and name HA  ))
      4.300     0.900     0.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.46775E-03 ppm1      7.214 ppm2      4.747 CV     1
 ASSI {  969}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.700     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.23835E-03 ppm1      7.220 ppm2      2.063 CV     1
 ASSI {  970}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.600     0.600     0.600 peak   970 spectrum    1 weight  0.10000E+01 volume  0.74490E-03 ppm1      7.222 ppm2      1.902 CV     1
 OR {  970}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI {  971}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HG2 ))
      2.700     0.400     0.400 peak   971 spectrum    1 weight  0.10000E+01 volume  0.24535E-02 ppm1      7.221 ppm2      1.748 CV     1
 ASSI {  972}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 60   and name HD3 ))
      3.200     0.500     0.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.10446E-02 ppm1      7.222 ppm2      1.680 CV     1
 ASSI {  973}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 60   and name HG2 ))
      4.200     4.200     1.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.28369E-03 ppm1      7.221 ppm2      1.392 CV     1
 OR {  973}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  974}
   (( segid "    " and resid 42   and name HH2 ))
   (  segid "    " and resid 58   and name HG2%)
      3.600     0.700     0.700 peak   974 spectrum    1 weight  0.10000E+01 volume  0.13678E-02 ppm1      7.222 ppm2      0.773 CV     1
 OR {  974}
   (( segid "    " and resid 42   and name HH2 ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  975}
   (( segid "    " and resid 50   and name HE21))
   (  segid "    " and resid 34   and name HD1%)
      3.800     0.700     0.700 peak   975 spectrum    1 weight  0.10000E+01 volume  0.39699E-03 ppm1      7.201 ppm2      0.709 CV     1
 ASSI {  976}
   (( segid "    " and resid 42   and name HH2 ))
   (  segid "    " and resid 55   and name HB% )
      4.400     1.000     1.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.23323E-03 ppm1      7.221 ppm2     -0.065 CV     1
 ASSI {  977}
   (( segid "    " and resid 35   and name HD22))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     0.600     0.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.21063E-02 ppm1      7.215 ppm2      2.832 CV     1
 ASSI {  978}
   (( segid "    " and resid 35   and name HD22))
   (  segid "    " and resid 37   and name HG2%)
      3.700     0.700     0.700 peak   978 spectrum    1 weight  0.10000E+01 volume  0.65282E-03 ppm1      7.215 ppm2      1.326 CV     1
 ASSI {  979}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 53   and name HA  ))
      5.100     1.300     0.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.35316E-03 ppm1      7.223 ppm2      4.795 CV     1
 ASSI {  980}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
      4.200     0.900     0.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.34765E-03 ppm1      7.203 ppm2      1.865 CV     1
 ASSI {  981}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
      3.100     3.100     2.900 peak   981 spectrum    1 weight  0.10000E+01 volume  0.11017E-02 ppm1      7.203 ppm2      2.240 CV     1
 ASSI {  982}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG3 ))
      3.300     0.500     0.500 peak   982 spectrum    1 weight  0.10000E+01 volume  0.98568E-03 ppm1      7.202 ppm2      2.121 CV     1
 ASSI {  984}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 42   and name HA  ))
      3.700     0.700     0.700 peak   984 spectrum    1 weight  0.10000E+01 volume  0.36913E-03 ppm1      7.166 ppm2      5.566 CV     1
 ASSI {  985}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 22   and name HA  ))
      4.600     1.100     1.100 peak   985 spectrum    1 weight  0.10000E+01 volume  0.30435E-03 ppm1      7.165 ppm2      5.460 CV     1
 ASSI {  986}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 41   and name HA  ))
      4.600     1.100     1.100 peak   986 spectrum    1 weight  0.10000E+01 volume  0.28318E-03 ppm1      7.165 ppm2      5.085 CV     1
 ASSI {  987}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 43   and name HA  ))
      3.200     0.500     0.500 peak   987 spectrum    1 weight  0.10000E+01 volume  0.11735E-02 ppm1      7.165 ppm2      4.530 CV     1
 ASSI {  988}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 51   and name HA1 ))
      3.600     0.600     0.600 peak   988 spectrum    1 weight  0.10000E+01 volume  0.64316E-03 ppm1      7.165 ppm2      3.915 CV     1
 OR {  988}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 51   and name HA2 ))
 ASSI {  990}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 41   and name HB2 ))
      3.500     0.600     0.600 peak   990 spectrum    1 weight  0.10000E+01 volume  0.22789E-02 ppm1      7.165 ppm2      2.887 CV     1
 ASSI {  991}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 52   and name HB3 ))
      2.500     0.300     0.300 peak   991 spectrum    1 weight  0.10000E+01 volume  0.43916E-02 ppm1      7.165 ppm2      2.722 CV     1
 ASSI {  992}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 22   and name HG3 ))
      3.400     3.400     2.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.17292E-03 ppm1      7.165 ppm2      2.538 CV     1
 ASSI {  993}
   (  segid "    " and resid 52   and name HD% )
   (  segid "    " and resid 21   and name HB% )
      2.800     0.400     0.400 peak   993 spectrum    1 weight  0.10000E+01 volume  0.22167E-02 ppm1      7.165 ppm2      1.455 CV     1
 ASSI {  994}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 43   and name HD2 ))
      3.900     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.33153E-03 ppm1      7.165 ppm2      1.328 CV     1
 ASSI {  996}
   (  segid "    " and resid 52   and name HD% )
   (  segid "    " and resid 53   and name HG2%)
      4.600     1.100     1.100 peak   996 spectrum    1 weight  0.10000E+01 volume  0.25851E-03 ppm1      7.166 ppm2      0.707 CV     1
 ASSI {  997}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 43   and name HG3 ))
      3.800     0.700     0.700 peak   997 spectrum    1 weight  0.10000E+01 volume  0.27467E-03 ppm1      7.166 ppm2      0.412 CV     1
 ASSI {  998}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     0.400     0.400 peak   998 spectrum    1 weight  0.10000E+01 volume  0.31646E-02 ppm1      7.105 ppm2      3.013 CV     1
 ASSI {  999}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HB3 ))
      2.900     0.400     0.400 peak   999 spectrum    1 weight  0.10000E+01 volume  0.20773E-02 ppm1      7.105 ppm2      2.825 CV     1
 ASSI { 1000}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 58   and name HB  ))
      4.900     1.200     1.100 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.23415E-03 ppm1      7.105 ppm2      1.914 CV     1
 ASSI { 1001}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 9    and name HG1%)
      2.900     0.400     0.400 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.19861E-02 ppm1      7.106 ppm2      1.051 CV     1
 ASSI { 1002}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 44   and name HG1%)
      3.500     0.600     0.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.83469E-03 ppm1      7.105 ppm2      0.868 CV     1
 ASSI { 1003}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 9    and name HG2%)
      3.200     0.500     0.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.14778E-02 ppm1      7.105 ppm2      0.821 CV     1
 ASSI { 1004}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 58   and name HG2%)
      2.400     0.300     0.300 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.64639E-02 ppm1      7.105 ppm2      0.776 CV     1
 ASSI { 1005}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 33   and name HD2%)
      2.500     0.300     0.300 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.47741E-02 ppm1      7.105 ppm2      0.713 CV     1
 ASSI { 1006}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 33   and name HD1%)
      3.500     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.84204E-03 ppm1      7.106 ppm2      0.396 CV     1
 ASSI { 1007}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 55   and name HB% )
      4.300     0.900     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.30758E-03 ppm1      7.105 ppm2     -0.065 CV     1
 ASSI { 1008}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     0.400     0.400 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.28009E-02 ppm1      7.098 ppm2      4.622 CV     1
 ASSI { 1009}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.700     0.700     0.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.75503E-03 ppm1      7.099 ppm2      3.928 CV     1
 ASSI { 1010}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      4.700     1.100     1.100 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.40771E-03 ppm1      7.098 ppm2      3.394 CV     1
 ASSI { 1011}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.56765E-03 ppm1      7.099 ppm2      3.298 CV     1
 ASSI { 1012}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      3.400     0.600     0.600 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.82776E-03 ppm1      7.098 ppm2      2.206 CV     1
 ASSI { 1013}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.500     0.600     0.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.18696E-02 ppm1      7.099 ppm2      2.044 CV     1
 ASSI { 1014}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      3.400     0.600     0.600 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.12743E-02 ppm1      7.099 ppm2      1.675 CV     1
 ASSI { 1015}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.100     0.500     0.500 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.11721E-02 ppm1      7.099 ppm2      1.207 CV     1
 ASSI { 1016}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.400     1.000     1.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.51609E-03 ppm1      7.102 ppm2      5.550 CV     1
 ASSI { 1017}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     0.500     0.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.15004E-02 ppm1      7.104 ppm2      2.690 CV     1
 ASSI { 1018}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      4.500     1.000     1.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.51748E-03 ppm1      7.100 ppm2      1.390 CV     1
 ASSI { 1019}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.500     1.000     1.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.60908E-03 ppm1      7.101 ppm2      0.653 CV     1
 ASSI { 1021}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 52   and name HA  ))
      4.600     1.100     1.100 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.39570E-03 ppm1      7.083 ppm2      5.656 CV     1
 ASSI { 1022}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HA  ))
      3.000     0.500     0.500 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.16832E-02 ppm1      7.083 ppm2      5.085 CV     1
 ASSI { 1023}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 53   and name HA  ))
      3.500     0.600     0.600 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.75366E-03 ppm1      7.083 ppm2      4.793 CV     1
 ASSI { 1024}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     0.600     0.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.76424E-03 ppm1      7.083 ppm2      3.605 CV     1
 ASSI { 1025}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 52   and name HB2 ))
      3.500     3.500     2.500 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.33314E-02 ppm1      7.083 ppm2      3.194 CV     1
 ASSI { 1026}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HB2 ))
      3.600     0.700     0.700 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      7.083 ppm2      2.886 CV     1
 ASSI { 1027}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.600     0.300     0.300 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.29507E-02 ppm1      7.083 ppm2      2.721 CV     1
 ASSI { 1028}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 54   and name HD3 ))
      4.500     1.000     1.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.34216E-03 ppm1      7.084 ppm2      2.469 CV     1
 ASSI { 1029}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HA  ))
      4.600     1.100     1.100 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.25331E-03 ppm1      7.049 ppm2      5.084 CV     1
 ASSI { 1030}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.200     3.200     2.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.21680E-03 ppm1      7.049 ppm2      4.577 CV     1
 ASSI { 1032}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB3 ))
      3.000     3.000     3.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.51748E-02 ppm1      7.050 ppm2      2.712 CV     1
 ASSI { 1033}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 40   and name HB3 ))
      3.100     0.500     0.500 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.16219E-02 ppm1      7.050 ppm2      2.342 CV     1
 ASSI { 1034}
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HB2 ))
      5.500     1.500     0.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.19216E-03 ppm1      7.023 ppm2      3.064 CV     1
 ASSI { 1035}
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HB3 ))
      4.700     4.700     1.300 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.51333E-03 ppm1      7.024 ppm2      2.879 CV     1
 ASSI { 1036}
   (( segid "    " and resid 47   and name HD22))
   (  segid "    " and resid 46   and name HG1%)
      5.500     1.500     0.500 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.21772E-03 ppm1      7.024 ppm2      1.051 CV     1
 ASSI { 1038}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 22   and name HA  ))
      4.600     1.100     1.100 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.28871E-03 ppm1      6.960 ppm2      5.458 CV     1
 ASSI { 1039}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 53   and name HA  ))
      3.000     0.500     0.500 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.14875E-02 ppm1      6.960 ppm2      4.787 CV     1
 ASSI { 1040}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.400     0.400 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.26860E-02 ppm1      6.960 ppm2      4.099 CV     1
 ASSI { 1041}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 22   and name HG2 ))
      2.700     0.400     0.400 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.27203E-02 ppm1      6.960 ppm2      2.661 CV     1
 ASSI { 1042}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 22   and name HG3 ))
      4.400     1.000     1.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.64776E-03 ppm1      6.960 ppm2      2.543 CV     1
 ASSI { 1043}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 54   and name HD3 ))
      3.300     0.500     0.500 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.85447E-03 ppm1      6.959 ppm2      2.469 CV     1
 ASSI { 1044}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.400     0.400 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.21901E-02 ppm1      6.960 ppm2      2.272 CV     1
 OR { 1044}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 1045}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 54   and name HD2 ))
      3.700     0.700     0.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.78219E-03 ppm1      6.960 ppm2      2.199 CV     1
 ASSI { 1046}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 17   and name HB3 ))
      4.400     1.000     1.000 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.32715E-03 ppm1      6.960 ppm2      1.844 CV     1
 ASSI { 1047}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 53   and name HB  ))
      4.600     1.100     1.100 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.31260E-03 ppm1      6.960 ppm2      1.790 CV     1
 ASSI { 1048}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 53   and name HG1%)
      3.400     0.600     0.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.96082E-03 ppm1      6.960 ppm2      1.129 CV     1
 ASSI { 1049}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 58   and name HG1%)
      3.800     3.800     2.200 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.83836E-03 ppm1      6.960 ppm2      0.767 CV     1
 OR { 1049}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1050}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 54   and name HG3 ))
      3.100     3.100     2.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      6.960 ppm2      0.674 CV     1
 OR { 1050}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1051}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      4.300     0.900     0.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.59803E-03 ppm1      6.960 ppm2      4.726 CV     1
 ASSI { 1052}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HB2 ))
      3.900     0.800     0.800 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.76607E-03 ppm1      6.960 ppm2      3.070 CV     1
 ASSI { 1053}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HB3 ))
      4.400     1.000     1.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.42858E-03 ppm1      6.958 ppm2      2.880 CV     1
 ASSI { 1054}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      3.800     0.700     0.700 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.50966E-03 ppm1      6.875 ppm2      4.726 CV     1
 ASSI { 1055}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 54   and name HG3 ))
      3.700     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.54923E-03 ppm1      6.875 ppm2      0.673 CV     1
 OR { 1055}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1056}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 57   and name HA  ))
      4.300     0.900     0.900 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.47143E-03 ppm1      6.874 ppm2      4.773 CV     1
 ASSI { 1057}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 57   and name HB2 ))
      3.000     3.000     3.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.33834E-03 ppm1      6.874 ppm2      3.394 CV     1
 ASSI { 1058}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 57   and name HB3 ))
      4.100     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.71821E-03 ppm1      6.874 ppm2      3.043 CV     1
 ASSI { 1059}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 15   and name HB3 ))
      3.100     3.100     2.900 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.26146E-03 ppm1      6.875 ppm2      2.880 CV     1
 ASSI { 1061}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 13   and name HB3 ))
      4.100     0.900     0.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.54096E-03 ppm1      6.875 ppm2      2.046 CV     1
 ASSI { 1063}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 54   and name HB2 ))
      2.900     2.900     3.100 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.45289E-03 ppm1      6.875 ppm2      0.794 CV     1
 ASSI { 1064}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 57   and name HA  ))
      2.900     0.400     0.400 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.16970E-02 ppm1      6.737 ppm2      4.766 CV     1
 ASSI { 1065}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 57   and name HB2 ))
      2.900     0.400     0.400 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.22375E-02 ppm1      6.737 ppm2      3.392 CV     1
 ASSI { 1066}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 57   and name HB3 ))
      2.500     0.300     0.300 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.33879E-02 ppm1      6.737 ppm2      3.039 CV     1
 ASSI { 1067}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 15   and name HB3 ))
      4.400     1.000     1.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.88992E-03 ppm1      6.736 ppm2      2.881 CV     1
 ASSI { 1068}
   (  segid "    " and resid 57   and name HD% )
   (  segid "    " and resid 25   and name HE% )
      2.900     0.400     0.400 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.23760E-02 ppm1      6.737 ppm2      2.205 CV     1
 ASSI { 1069}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 13   and name HB3 ))
      3.900     0.800     0.800 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.16919E-02 ppm1      6.738 ppm2      2.044 CV     1
 ASSI { 1070}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 54   and name HB3 ))
      2.800     0.400     0.400 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.53590E-03 ppm1      6.737 ppm2      1.328 CV     1
 ASSI { 1071}
   (  segid "    " and resid 57   and name HD% )
   (  segid "    " and resid 56   and name HB% )
      2.800     0.400     0.400 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.23259E-02 ppm1      6.737 ppm2      1.202 CV     1
 ASSI { 1072}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 54   and name HG2 ))
      3.400     0.600     0.600 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.95944E-03 ppm1      6.737 ppm2      0.673 CV     1
 OR { 1072}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 54   and name HG3 ))
 ASSI { 1074}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 59   and name HA  ))
      4.400     1.000     1.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.18563E-03 ppm1      6.722 ppm2      4.852 CV     1
 ASSI { 1075}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HA  ))
      4.700     1.100     1.100 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.19705E-03 ppm1      6.722 ppm2      4.487 CV     1
 ASSI { 1076}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HE2 ))
      5.200     1.400     0.800 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.21256E-03 ppm1      6.722 ppm2      2.830 CV     1
 ASSI { 1077}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 55   and name HA  ))
      4.700     1.100     1.100 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.22411E-03 ppm1      6.721 ppm2      2.697 CV     1
 ASSI { 1078}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 58   and name HB  ))
      4.800     1.200     1.200 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.17983E-03 ppm1      6.722 ppm2      1.917 CV     1
 ASSI { 1080}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HD2 ))
      2.800     0.400     0.400 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.23443E-02 ppm1      6.722 ppm2      1.753 CV     1
 ASSI { 1081}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HD3 ))
      4.400     0.900     0.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.30256E-03 ppm1      6.722 ppm2      1.686 CV     1
 ASSI { 1082}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HG2 ))
      3.600     0.700     0.700 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.87704E-03 ppm1      6.721 ppm2      1.390 CV     1
 OR { 1082}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI { 1083}
   (( segid "    " and resid 42   and name HZ3 ))
   (  segid "    " and resid 9    and name HG1%)
      2.600     0.400     0.400 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.31940E-02 ppm1      6.722 ppm2      1.051 CV     1
 ASSI { 1084}
   (( segid "    " and resid 42   and name HZ3 ))
   (  segid "    " and resid 58   and name HG2%)
      2.500     0.300     0.300 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.54647E-02 ppm1      6.723 ppm2      0.777 CV     1
 ASSI { 1085}
   (( segid "    " and resid 42   and name HZ3 ))
   (  segid "    " and resid 33   and name HD1%)
      3.400     0.600     0.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.10690E-02 ppm1      6.722 ppm2      0.395 CV     1
 ASSI { 1086}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
      4.300     0.900     0.900 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.64225E-03 ppm1      6.702 ppm2      2.241 CV     1
 ASSI { 1087}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG3 ))
      4.300     0.900     0.900 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.59895E-03 ppm1      6.702 ppm2      2.121 CV     1
 ASSI { 1088}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 57   and name HA  ))
      2.700     0.400     0.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.27811E-02 ppm1      6.671 ppm2      4.776 CV     1
 ASSI { 1089}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      2.900     0.400     0.400 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.18899E-02 ppm1      6.671 ppm2      4.623 CV     1
 ASSI { 1090}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 57   and name HB2 ))
      3.700     0.700     0.700 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.91892E-03 ppm1      6.671 ppm2      3.393 CV     1
 ASSI { 1091}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB2 ))
      2.500     0.300     0.300 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.34557E-02 ppm1      6.671 ppm2      3.036 CV     1
 ASSI { 1092}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 25   and name HE% )
      4.700     1.100     1.100 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.25776E-03 ppm1      6.674 ppm2      2.205 CV     1
 ASSI { 1093}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB3 ))
      2.800     0.400     0.400 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.36458E-02 ppm1      6.672 ppm2      2.043 CV     1
 ASSI { 1094}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HB2 ))
      2.800     0.400     0.400 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.21859E-02 ppm1      6.671 ppm2      1.207 CV     1
 ASSI { 1095}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HB3 ))
      3.000     0.400     0.400 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.18959E-02 ppm1      6.672 ppm2      0.763 CV     1
 ASSI { 1096}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 12   and name HD1%)
      3.600     0.600     0.600 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      6.672 ppm2      0.714 CV     1
 ASSI { 1097}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 12   and name HD2%)
      4.600     1.100     1.100 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.32272E-03 ppm1      6.674 ppm2      0.652 CV     1
 ASSI { 1098}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 53   and name HA  ))
      3.200     0.500     0.500 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.16390E-02 ppm1      6.649 ppm2      4.792 CV     1
 ASSI { 1099}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     0.900     0.900 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.23360E-03 ppm1      6.649 ppm2      3.605 CV     1
 ASSI { 1100}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 52   and name HB2 ))
      4.600     1.100     1.100 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.31293E-03 ppm1      6.649 ppm2      3.194 CV     1
 ASSI { 1101}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 22   and name HG3 ))
      3.900     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.89775E-03 ppm1      6.649 ppm2      2.544 CV     1
 ASSI { 1102}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HD3 ))
      2.500     2.500     3.500 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.21928E-02 ppm1      6.649 ppm2      2.469 CV     1
 ASSI { 1103}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 22   and name HB3 ))
      4.000     0.800     0.800 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.32904E-03 ppm1      6.648 ppm2      2.275 CV     1
 ASSI { 1104}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HD2 ))
      4.700     4.700     1.300 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.91616E-03 ppm1      6.649 ppm2      2.196 CV     1
 ASSI { 1105}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 53   and name HB  ))
      6.000     1.900     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.21726E-03 ppm1      6.649 ppm2      1.789 CV     1
 ASSI { 1106}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 53   and name HG1%)
      6.000     1.800     0.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.11293E-03 ppm1      6.649 ppm2      1.129 CV     1
 ASSI { 1108}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 53   and name HG2%)
      4.400     1.000     1.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.66203E-03 ppm1      6.648 ppm2      0.703 CV     1
 ASSI { 1109}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HG3 ))
      4.200     0.900     0.900 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.88027E-03 ppm1      6.648 ppm2      0.674 CV     1
 OR { 1109}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1110}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 12   and name HB3 ))
      3.100     0.500     0.500 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.12417E-02 ppm1      6.627 ppm2      0.760 CV     1
 ASSI { 1111}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HA  ))
      3.000     3.000     3.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.36444E-03 ppm1      6.630 ppm2      4.623 CV     1
 ASSI { 1112}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 57   and name HB2 ))
      5.300     1.400     0.700 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.15695E-03 ppm1      6.631 ppm2      3.393 CV     1
 ASSI { 1113}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HB2 ))
      4.400     1.000     1.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.60632E-03 ppm1      6.631 ppm2      3.038 CV     1
 ASSI { 1114}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HB3 ))
      4.200     0.900     0.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.62013E-03 ppm1      6.630 ppm2      2.044 CV     1
 ASSI { 1115}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 12   and name HB2 ))
      3.200     0.500     0.500 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.13296E-02 ppm1      6.627 ppm2      1.206 CV     1
 ASSI { 1116}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 12   and name HD1%)
      3.200     0.500     0.500 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.14304E-02 ppm1      6.626 ppm2      0.713 CV     1
 ASSI { 1117}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 12   and name HD2%)
      4.200     0.900     0.900 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.47051E-03 ppm1      6.626 ppm2      0.651 CV     1
 ASSI { 1118}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 57   and name HA  ))
      3.000     0.400     0.400 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.17808E-02 ppm1      6.629 ppm2      4.774 CV     1
 ASSI { 1119}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.200     0.200 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.83375E-02 ppm1      5.561 ppm2      5.455 CV     1
 ASSI { 1121}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.300     0.300 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.31472E-02 ppm1      5.128 ppm2      5.007 CV     1
 ASSI { 1122}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      2.400     0.300     0.300 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.54049E-02 ppm1      5.655 ppm2      4.528 CV     1
 ASSI { 1123}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     0.400     0.400 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.22996E-02 ppm1      5.655 ppm2      3.194 CV     1
 ASSI { 1125}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 53   and name HG2%)
      3.700     0.700     0.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.10308E-02 ppm1      5.655 ppm2      0.707 CV     1
 ASSI { 1126}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     0.500     0.500 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.11533E-02 ppm1      5.563 ppm2      4.008 CV     1
 ASSI { 1127}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     0.400     0.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27083E-02 ppm1      5.564 ppm2      3.009 CV     1
 ASSI { 1128}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.800     0.400     0.400 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.17274E-02 ppm1      5.562 ppm2      2.823 CV     1
 ASSI { 1130}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG3 ))
      3.200     0.500     0.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.13936E-02 ppm1      5.558 ppm2      2.121 CV     1
 ASSI { 1131}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.900     0.400     0.400 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.31293E-02 ppm1      5.559 ppm2      1.866 CV     1
 ASSI { 1132}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.500     0.300     0.300 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.36816E-02 ppm1      5.555 ppm2      1.734 CV     1
 ASSI { 1133}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      2.800     0.400     0.400 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.34626E-02 ppm1      5.555 ppm2      0.709 CV     1
 ASSI { 1134}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.400     0.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.28530E-02 ppm1      5.545 ppm2      4.619 CV     1
 ASSI { 1135}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.300     0.300 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.65237E-02 ppm1      5.545 ppm2      1.915 CV     1
 ASSI { 1136}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      2.700     0.400     0.400 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.29102E-02 ppm1      5.545 ppm2      1.390 CV     1
 ASSI { 1138}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 12   and name HD2%)
      4.500     1.000     1.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.44681E-03 ppm1      5.545 ppm2      0.649 CV     1
 ASSI { 1139}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      2.400     0.300     0.300 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.66387E-02 ppm1      5.545 ppm2      0.776 CV     1
 ASSI { 1142}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      2.900     0.400     0.400 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.18346E-02 ppm1      5.456 ppm2      2.661 CV     1
 ASSI { 1144}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.400     0.300     0.300 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.54280E-02 ppm1      5.456 ppm2      2.261 CV     1
 OR { 1144}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 1146}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      3.500     0.600     0.600 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.10713E-02 ppm1      5.454 ppm2      0.707 CV     1
 ASSI { 1147}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.900     0.400     0.400 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.31983E-02 ppm1      5.453 ppm2      1.875 CV     1
 ASSI { 1148}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     0.400     0.400 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.21928E-02 ppm1      5.415 ppm2      4.629 CV     1
 ASSI { 1149}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     0.400     0.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.24160E-02 ppm1      5.410 ppm2      4.412 CV     1
 ASSI { 1150}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      2.500     0.300     0.300 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.42062E-02 ppm1      5.410 ppm2      2.135 CV     1
 ASSI { 1151}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 34   and name HG  ))
      2.900     0.400     0.400 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.18692E-02 ppm1      5.410 ppm2      1.447 CV     1
 ASSI { 1152}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.800     0.400     0.400 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.24855E-02 ppm1      5.413 ppm2      1.357 CV     1
 OR { 1152}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI { 1153}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      3.600     0.700     0.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.13457E-02 ppm1      5.411 ppm2      1.155 CV     1
 ASSI { 1154}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      2.400     0.300     0.300 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.67814E-02 ppm1      5.410 ppm2      0.868 CV     1
 ASSI { 1155}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      2.800     0.400     0.400 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.44827E-02 ppm1      5.410 ppm2      0.818 CV     1
 ASSI { 1156}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD2%)
      2.400     0.300     0.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.69197E-02 ppm1      5.414 ppm2      0.785 CV     1
 ASSI { 1157}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      3.100     0.500     0.500 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.17379E-02 ppm1      5.410 ppm2      0.712 CV     1
 ASSI { 1158}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG  ))
      2.700     0.400     0.400 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.32972E-02 ppm1      5.412 ppm2      1.679 CV     1
 ASSI { 1159}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     0.400     0.400 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.24346E-02 ppm1      5.230 ppm2      4.485 CV     1
 ASSI { 1164}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     0.500     0.500 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.14037E-02 ppm1      4.529 ppm2      8.358 CV     1
 ASSI { 1171}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.300     0.500     0.500 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.12403E-02 ppm1      4.343 ppm2      8.739 CV     1
 ASSI { 1173}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      3.200     0.500     0.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.14304E-02 ppm1      4.295 ppm2      8.245 CV     1
 ASSI { 1184}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     0.400     0.400 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.23908E-02 ppm1      4.073 ppm2      8.455 CV     1
 ASSI { 1190}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 42   and name HE1 ))
      4.100     4.100     1.900 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.35504E-03 ppm1      3.998 ppm2      9.310 CV     1
 ASSI { 1196}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.300     0.300 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.39850E-02 ppm1      3.916 ppm2      8.631 CV     1
 OR { 1196}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1197}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.300     0.300 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.35961E-02 ppm1      3.762 ppm2      8.731 CV     1
 ASSI { 1198}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.100     0.800     0.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.11781E-02 ppm1      3.762 ppm2      8.091 CV     1
 ASSI { 1200}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HD21))
      3.100     0.500     0.500 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.14138E-02 ppm1      3.761 ppm2      7.934 CV     1
 ASSI { 1201}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      4.500     1.000     1.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.53036E-03 ppm1      3.761 ppm2      8.513 CV     1
 ASSI { 1203}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     0.500     0.500 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.12790E-02 ppm1      3.652 ppm2      7.778 CV     1
 ASSI { 1204}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.800     0.700     0.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.59575E-03 ppm1      3.603 ppm2      9.335 CV     1
 ASSI { 1206}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      4.200     0.900     0.900 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.43576E-03 ppm1      3.602 ppm2      7.828 CV     1
 ASSI { 1207}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.200     0.200     0.200 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.10354E-01 ppm1      3.603 ppm2      7.469 CV     1
 ASSI { 1214}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HE  ))
      2.800     0.400     0.400 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.22421E-02 ppm1      3.310 ppm2      7.226 CV     1
 OR { 1214}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HE  ))
 ASSI { 1216}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.000     0.200     0.200 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.14893E-01 ppm1      3.296 ppm2      8.858 CV     1
 ASSI { 1220}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD% )
      2.600     0.300     0.300 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.33309E-02 ppm1      3.191 ppm2      7.168 CV     1
 ASSI { 1224}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     0.500     0.500 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.12987E-02 ppm1      3.076 ppm2      8.690 CV     1
 ASSI { 1227}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 57   and name HD% )
      2.500     0.300     0.300 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.27232E-02 ppm1      3.071 ppm2      6.739 CV     1
 ASSI { 1229}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.500     1.000     1.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.66985E-03 ppm1      3.064 ppm2      9.468 CV     1
 ASSI { 1236}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     0.500     0.500 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.28212E-02 ppm1      3.033 ppm2      8.413 CV     1
 ASSI { 1237}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     0.400     0.400 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.22260E-02 ppm1      3.035 ppm2      7.102 CV     1
 ASSI { 1238}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 57   and name HE% )
      3.700     0.700     0.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.43082E-03 ppm1      3.033 ppm2      6.876 CV     1
 ASSI { 1243}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     0.700     0.700 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.13038E-02 ppm1      3.007 ppm2      8.963 CV     1
 ASSI { 1252}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      4.200     0.900     0.900 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.67678E-03 ppm1      2.916 ppm2      8.844 CV     1
 ASSI { 1254}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     0.500     0.500 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.26671E-02 ppm1      2.919 ppm2      8.413 CV     1
 ASSI { 1259}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HD22))
      3.900     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.13558E-02 ppm1      2.894 ppm2      7.281 CV     1
 ASSI { 1260}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.400     0.400 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.41306E-02 ppm1      2.888 ppm2      8.731 CV     1
 ASSI { 1261}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     0.500     0.500 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.87242E-03 ppm1      2.897 ppm2      8.336 CV     1
 ASSI { 1262}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.700     0.700     0.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.19608E-02 ppm1      2.897 ppm2      8.195 CV     1
 ASSI { 1263}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.900     1.200     1.100 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.39980E-03 ppm1      2.887 ppm2      9.084 CV     1
 ASSI { 1266}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.500     0.600     0.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.76838E-03 ppm1      2.876 ppm2      9.468 CV     1
 ASSI { 1269}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     0.400     0.400 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.17504E-02 ppm1      2.886 ppm2      8.092 CV     1
 ASSI { 1272}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD1 ))
      2.800     0.400     0.400 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.20570E-02 ppm1      2.887 ppm2      7.053 CV     1
 ASSI { 1273}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     0.500     0.500 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.10239E-02 ppm1      2.877 ppm2      9.526 CV     1
 ASSI { 1282}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      4.700     1.100     1.100 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.23461E-03 ppm1      2.870 ppm2      8.641 CV     1
 ASSI { 1284}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD21))
      3.100     0.500     0.500 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.28442E-02 ppm1      2.827 ppm2      7.947 CV     1
 ASSI { 1285}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.700     0.700     0.700 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.11086E-02 ppm1      2.826 ppm2      7.650 CV     1
 ASSI { 1290}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      4.900     1.200     1.100 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.20409E-03 ppm1      2.818 ppm2      9.074 CV     1
 ASSI { 1296}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HE1 ))
      4.300     0.900     0.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.46867E-03 ppm1      2.708 ppm2     10.026 CV     1
 ASSI { 1297}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.300     0.300 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.40978E-02 ppm1      2.708 ppm2      8.333 CV     1
 ASSI { 1303}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     0.800     0.800 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.49997E-03 ppm1      2.714 ppm2      9.332 CV     1
 ASSI { 1304}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.300     0.500     0.500 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.34157E-02 ppm1      2.711 ppm2      8.092 CV     1
 ASSI { 1305}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 42   and name HD1 ))
      4.100     4.100     1.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.48155E-03 ppm1      2.690 ppm2      7.560 CV     1
 ASSI { 1306}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      4.000     0.800     0.800 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.94288E-03 ppm1      2.714 ppm2      8.689 CV     1
 ASSI { 1307}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HD21))
      2.700     0.400     0.400 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.13609E-02 ppm1      2.688 ppm2      7.943 CV     1
 ASSI { 1309}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     0.600     0.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.76285E-03 ppm1      2.691 ppm2      7.828 CV     1
 ASSI { 1311}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.300     0.300 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.54280E-02 ppm1      2.687 ppm2      7.464 CV     1
 ASSI { 1312}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HD22))
      3.800     0.700     0.700 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.93183E-03 ppm1      2.689 ppm2      7.218 CV     1
 ASSI { 1314}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     0.500     0.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.86967E-03 ppm1      2.687 ppm2      8.962 CV     1
 ASSI { 1315}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     0.400     0.400 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.13305E-02 ppm1      2.688 ppm2      7.650 CV     1
 ASSI { 1316}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     0.500     0.500 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.21320E-02 ppm1      2.666 ppm2      7.453 CV     1
 ASSI { 1319}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.100     0.900     0.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.49307E-03 ppm1      2.653 ppm2      8.450 CV     1
 ASSI { 1320}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     0.400     0.400 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.18425E-02 ppm1      2.620 ppm2      8.196 CV     1
 ASSI { 1322}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     0.900     0.900 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.52577E-03 ppm1      2.621 ppm2      8.360 CV     1
 ASSI { 1323}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      4.000     0.800     0.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.65652E-03 ppm1      2.591 ppm2      9.526 CV     1
 ASSI { 1331}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.800     0.700     0.700 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.66940E-03 ppm1      2.490 ppm2      8.669 CV     1
 ASSI { 1336}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
      4.000     0.800     0.800 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.60034E-03 ppm1      2.472 ppm2      8.641 CV     1
 OR { 1336}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 1338}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      4.300     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.43649E-03 ppm1      2.457 ppm2      7.756 CV     1
 ASSI { 1349}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      5.100     1.300     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.32315E-03 ppm1      2.289 ppm2      8.106 CV     1
 ASSI { 1350}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      5.000     1.200     1.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.35518E-03 ppm1      2.267 ppm2      9.260 CV     1
 OR { 1350}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 1353}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.200     0.200     0.200 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.80614E-02 ppm1      2.268 ppm2      7.788 CV     1
 OR { 1353}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1363}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 57   and name HE% )
      5.200     1.400     0.800 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.19815E-03 ppm1      2.202 ppm2      6.876 CV     1
 ASSI { 1366}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     0.800     0.800 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.64453E-03 ppm1      2.141 ppm2      9.467 CV     1
 ASSI { 1393}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     0.600     0.600 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.81672E-03 ppm1      1.989 ppm2      7.758 CV     1
 OR { 1393}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1394}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     0.600     0.600 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.12978E-02 ppm1      1.966 ppm2      8.641 CV     1
 ASSI { 1395}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      5.300     1.400     0.700 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.23056E-03 ppm1      1.951 ppm2      8.911 CV     1
 ASSI { 1409}
   (( segid "    " and resid 43   and name HD3 ))
   (  segid "    " and resid 52   and name HE% )
      3.600     0.700     0.700 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.69840E-03 ppm1      1.333 ppm2      7.437 CV     1
 OR { 1409}
   (( segid "    " and resid 43   and name HD2 ))
   (  segid "    " and resid 52   and name HE% )
 ASSI { 1411}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 42   and name HH2 ))
      4.800     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.32426E-03 ppm1      1.863 ppm2      7.219 CV     1
 ASSI { 1412}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.600     0.700     0.700 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.10888E-02 ppm1      1.857 ppm2      8.634 CV     1
 ASSI { 1417}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 42   and name HZ3 ))
      4.700     1.100     1.100 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.32190E-03 ppm1      1.852 ppm2      6.722 CV     1
 ASSI { 1420}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      4.900     1.200     1.100 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.52713E-03 ppm1      1.841 ppm2      7.782 CV     1
 ASSI { 1422}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.300     0.300 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.40684E-02 ppm1      1.827 ppm2      9.036 CV     1
 OR { 1422}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1423}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 31   and name HN  ))
      4.600     1.100     1.100 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.26904E-03 ppm1      1.813 ppm2      9.365 CV     1
 ASSI { 1427}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.300     0.300 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.41080E-02 ppm1      1.810 ppm2      8.196 CV     1
 ASSI { 1428}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     0.700     0.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.15879E-02 ppm1      1.804 ppm2      8.106 CV     1
 OR { 1428}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1443}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.100     0.800     0.800 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.55707E-03 ppm1      1.733 ppm2      8.451 CV     1
 OR { 1443}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1444}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     3.000     3.000 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.20496E-02 ppm1      1.733 ppm2      8.358 CV     1
 OR { 1444}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1445}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     0.400     0.400 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.42907E-02 ppm1      1.728 ppm2      9.027 CV     1
 ASSI { 1450}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.800     0.700     0.700 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.63073E-03 ppm1      1.677 ppm2      8.662 CV     1
 OR { 1450}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1465}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 61   and name HN  ))
      2.500     0.300     0.300 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.37886E-02 ppm1      1.645 ppm2      8.515 CV     1
 ASSI { 1472}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      5.000     1.300     1.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.50735E-03 ppm1      1.626 ppm2      9.077 CV     1
 ASSI { 1477}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     0.700     0.700 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.85678E-03 ppm1      1.598 ppm2      8.455 CV     1
 ASSI { 1479}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      5.800     1.700     0.200 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.10492E-03 ppm1      1.568 ppm2      9.024 CV     1
 OR { 1479}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1485}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     0.500     0.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.16505E-02 ppm1      1.461 ppm2      8.512 CV     1
 OR { 1485}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1489}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
      4.900     1.200     1.100 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.18185E-03 ppm1      1.459 ppm2      8.645 CV     1
 ASSI { 1492}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 52   and name HE% )
      4.200     0.900     0.900 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.36498E-03 ppm1      1.452 ppm2      7.436 CV     1
 ASSI { 1496}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      4.300     4.300     1.700 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.42241E-03 ppm1      1.433 ppm2      8.843 CV     1
 OR { 1496}
   (( segid "    " and resid 26   and name HG3 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1499}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     0.800     0.800 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.30930E-03 ppm1      1.417 ppm2      8.360 CV     1
 ASSI { 1516}
   (( segid "    " and resid 43   and name HD3 ))
   (( segid "    " and resid 52   and name HZ  ))
      4.000     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.36187E-03 ppm1      1.331 ppm2      7.384 CV     1
 OR { 1516}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 52   and name HZ  ))
 ASSI { 1526}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 52   and name HD% )
      5.100     1.300     0.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.15161E-03 ppm1      1.283 ppm2      7.167 CV     1
 ASSI { 1530}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 52   and name HZ  ))
      4.800     1.200     1.200 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.32232E-03 ppm1      1.282 ppm2      7.384 CV     1
 ASSI { 1531}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name HN  ))
      5.100     1.300     0.900 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.11496E-03 ppm1      1.281 ppm2      9.382 CV     1
 ASSI { 1534}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      5.100     1.300     0.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.14668E-03 ppm1      1.215 ppm2      8.444 CV     1
 ASSI { 1539}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 55   and name HN  ))
      4.700     1.100     1.100 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.34041E-03 ppm1      1.199 ppm2      7.458 CV     1
 ASSI { 1541}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 57   and name HE% )
      4.300     0.900     0.900 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.25957E-03 ppm1      1.199 ppm2      6.877 CV     1
 ASSI { 1549}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.500     1.000     1.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.51792E-03 ppm1      1.153 ppm2      8.678 CV     1
 ASSI { 1551}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      5.300     1.400     0.700 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.28906E-03 ppm1      1.153 ppm2      7.649 CV     1
 ASSI { 1553}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 31   and name HN  ))
      5.400     1.500     0.600 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.20800E-03 ppm1      1.142 ppm2      9.365 CV     1
 OR { 1553}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 1571}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 42   and name HH2 ))
      5.300     1.400     0.700 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.17969E-03 ppm1      1.050 ppm2      7.222 CV     1
 ASSI { 1578}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HD21))
      5.300     1.400     0.700 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.19230E-03 ppm1      0.970 ppm2      7.639 CV     1
 ASSI { 1579}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HD22))
      5.600     1.600     0.400 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.14705E-03 ppm1      0.972 ppm2      7.029 CV     1
 ASSI { 1585}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      4.800     1.200     1.200 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.26739E-03 ppm1      0.882 ppm2      8.358 CV     1
 ASSI { 1591}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
      5.600     1.600     0.400 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.11662E-03 ppm1      0.864 ppm2      7.646 CV     1
 ASSI { 1592}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      2.400     2.400     3.600 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.14157E-02 ppm1      0.864 ppm2      9.170 CV     1
 ASSI { 1597}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      5.100     1.300     0.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.16265E-03 ppm1      0.865 ppm2      8.639 CV     1
 ASSI { 1599}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
      4.400     0.900     0.900 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.13738E-03 ppm1      0.861 ppm2      8.961 CV     1
 ASSI { 1602}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      4.800     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.25939E-03 ppm1      0.824 ppm2      9.258 CV     1
 ASSI { 1609}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      3.100     0.500     0.500 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      0.818 ppm2      9.083 CV     1
 ASSI { 1614}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.900     0.800     0.800 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.27821E-03 ppm1      0.800 ppm2      7.827 CV     1
 ASSI { 1617}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      4.100     0.800     0.800 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.47051E-03 ppm1      0.779 ppm2      9.365 CV     1
 ASSI { 1620}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      3.100     3.100     2.900 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.28506E-03 ppm1      0.775 ppm2      7.829 CV     1
 ASSI { 1623}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 15   and name HD% )
      3.800     3.800     2.200 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.83099E-04 ppm1      0.776 ppm2      7.349 CV     1
 OR { 1623}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 15   and name HD% )
 ASSI { 1624}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 42   and name HH2 ))
      4.200     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.51887E-03 ppm1      0.775 ppm2      7.225 CV     1
 ASSI { 1635}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 50   and name HE21))
      4.500     4.500     1.500 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.21555E-03 ppm1      0.752 ppm2      7.216 CV     1
 ASSI { 1637}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      5.700     1.600     0.300 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.15916E-03 ppm1      0.750 ppm2      7.650 CV     1
 ASSI { 1642}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 42   and name HZ3 ))
      3.500     0.600     0.600 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.11491E-02 ppm1      0.711 ppm2      6.722 CV     1
 ASSI { 1657}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
      4.800     1.200     1.200 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.15437E-03 ppm1      0.703 ppm2      8.550 CV     1
 ASSI { 1677}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      5.500     1.500     0.500 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.19985E-03 ppm1      0.394 ppm2      9.069 CV     1
 ASSI { 1678}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      5.700     1.600     0.300 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.12780E-03 ppm1      0.393 ppm2      7.650 CV     1
 ASSI { 1679}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 42   and name HH2 ))
      5.700     1.600     0.300 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.61231E-04 ppm1      0.395 ppm2      7.222 CV     1
 ASSI { 1685}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      4.600     1.100     1.100 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.27545E-03 ppm1     -0.065 ppm2      7.744 CV     1
 ASSI { 1689}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 42   and name HZ3 ))
      5.200     1.400     0.800 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.94516E-04 ppm1     -0.063 ppm2      6.724 CV     1
 ASSI { 1697}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.800     3.800     2.200 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.54416E-03 ppm1      4.465 ppm2      2.186 CV     1
 ASSI { 1698}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HD2%)
      2.600     0.300     0.300 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.37904E-02 ppm1      4.461 ppm2      0.886 CV     1
 ASSI { 1700}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      2.700     2.700     3.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.21012E-02 ppm1      4.411 ppm2      0.714 CV     1
 ASSI { 1704}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      3.300     3.300     2.700 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.12246E-02 ppm1      4.295 ppm2      1.218 CV     1
 ASSI { 1706}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 37   and name HG2%)
      2.500     0.300     0.300 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.53220E-02 ppm1      4.278 ppm2      1.325 CV     1
 ASSI { 1707}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     0.400     0.400 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.27517E-02 ppm1      4.255 ppm2      1.849 CV     1
 ASSI { 1710}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      2.800     2.800     3.200 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.29093E-02 ppm1      4.230 ppm2      1.217 CV     1
 ASSI { 1711}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     0.400     0.400 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.26615E-02 ppm1      4.128 ppm2      4.897 CV     1
 ASSI { 1713}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HD3 ))
      3.600     0.600     0.600 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.25583E-02 ppm1      4.129 ppm2      3.780 CV     1
 ASSI { 1714}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.000     0.200     0.200 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.96035E-02 ppm1      4.129 ppm2      3.655 CV     1
 ASSI { 1715}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
      3.200     3.200     2.800 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.12697E-02 ppm1      4.139 ppm2      2.179 CV     1
 OR { 1715}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
 ASSI { 1716}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.800     0.700     0.700 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.10755E-02 ppm1      4.096 ppm2      2.662 CV     1
 ASSI { 1718}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.400     0.300     0.300 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.50320E-02 ppm1      4.095 ppm2      2.254 CV     1
 ASSI { 1719}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.600     0.300     0.300 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.33469E-02 ppm1      4.095 ppm2      1.849 CV     1
 ASSI { 1720}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     0.500     0.500 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      4.076 ppm2      4.629 CV     1
 ASSI { 1721}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.700     0.700     0.700 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.36314E-02 ppm1      4.072 ppm2      1.962 CV     1
 ASSI { 1722}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.000     3.000     3.000 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.10124E-02 ppm1      4.072 ppm2      1.876 CV     1
 ASSI { 1723}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.300     0.300     0.300 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.68276E-02 ppm1      4.072 ppm2      1.155 CV     1
 ASSI { 1724}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     0.600     0.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.98061E-03 ppm1      4.014 ppm2      5.031 CV     1
 ASSI { 1725}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      2.300     0.300     0.300 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.11413E-01 ppm1      4.024 ppm2      1.202 CV     1
 ASSI { 1726}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      4.400     1.000     1.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.84482E-03 ppm1      4.013 ppm2      4.554 CV     1
 ASSI { 1727}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.300     0.300     0.300 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.77484E-02 ppm1      4.014 ppm2      1.337 CV     1
 ASSI { 1730}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.300     0.300 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.45444E-02 ppm1      4.005 ppm2      2.884 CV     1
 ASSI { 1731}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.500     0.300     0.300 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.45901E-02 ppm1      4.005 ppm2      2.068 CV     1
 ASSI { 1732}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.300     0.500     0.500 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.12582E-02 ppm1      4.006 ppm2      0.712 CV     1
 ASSI { 1735}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB  ))
      2.500     0.300     0.300 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.53634E-02 ppm1      3.985 ppm2      4.279 CV     1
 ASSI { 1736}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      2.800     0.400     0.400 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.60218E-02 ppm1      3.985 ppm2      1.326 CV     1
 ASSI { 1737}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.200     0.500     0.500 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.22480E-02 ppm1      3.924 ppm2      1.208 CV     1
 ASSI { 1738}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 22   and name HA  ))
      4.300     0.900     0.900 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.75825E-03 ppm1      3.916 ppm2      5.459 CV     1
 OR { 1738}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1740}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.500     0.300     0.300 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.41807E-02 ppm1      3.925 ppm2      0.759 CV     1
 ASSI { 1741}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD2%)
      2.200     0.200     0.200 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.10124E-01 ppm1      3.926 ppm2      0.647 CV     1
 ASSI { 1742}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      3.400     0.600     0.600 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.11312E-02 ppm1      3.923 ppm2      1.390 CV     1
 ASSI { 1743}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 27   and name HG3 ))
      3.700     0.700     0.700 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.97602E-03 ppm1      3.924 ppm2      1.120 CV     1
 OR { 1743}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 1744}
   (( segid "    " and resid 51   and name HA2 ))
   (  segid "    " and resid 23   and name HG1%)
      2.700     2.700     3.300 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.34534E-02 ppm1      3.924 ppm2      0.708 CV     1
 OR { 1744}
   (( segid "    " and resid 51   and name HA1 ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 1745}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.300     0.300 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.71267E-02 ppm1      3.874 ppm2      4.897 CV     1
 ASSI { 1746}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
      4.000     0.800     0.800 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.62658E-03 ppm1      3.877 ppm2      4.533 CV     1
 ASSI { 1747}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.300     0.300 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.28631E-02 ppm1      3.874 ppm2      4.131 CV     1
 ASSI { 1749}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HB3 ))
      3.800     0.700     0.700 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.12343E-02 ppm1      3.874 ppm2      3.657 CV     1
 ASSI { 1750}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB3 ))
      4.600     1.000     1.000 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.47190E-03 ppm1      3.871 ppm2      2.462 CV     1
 ASSI { 1751}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.800     0.700     0.700 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.16910E-02 ppm1      3.872 ppm2      2.084 CV     1
 ASSI { 1752}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.600     2.600     3.400 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.35629E-02 ppm1      3.873 ppm2      1.992 CV     1
 OR { 1752}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 1753}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.300     0.300 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.40137E-02 ppm1      3.778 ppm2      4.897 CV     1
 ASSI { 1755}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HD2 ))
      1.700     0.100     0.500 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.28303E-01 ppm1      3.778 ppm2      3.875 CV     1
 ASSI { 1756}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.700     0.400     0.400 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.32355E-02 ppm1      3.776 ppm2      1.992 CV     1
 OR { 1756}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI { 1758}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB3 ))
      1.800     0.200     0.400 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.19566E-01 ppm1      3.762 ppm2      2.897 CV     1
 ASSI { 1759}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.500     0.600     0.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.24144E-02 ppm1      3.773 ppm2      2.083 CV     1
 ASSI { 1760}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     0.400     0.400 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.20234E-02 ppm1      3.762 ppm2      4.854 CV     1
 ASSI { 1763}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HD3 ))
      4.000     0.800     0.800 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.18379E-02 ppm1      3.653 ppm2      3.779 CV     1
 ASSI { 1764}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     0.400     0.400 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.28904E-02 ppm1      3.652 ppm2      4.897 CV     1
 ASSI { 1767}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     0.400     0.400 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.27020E-02 ppm1      3.603 ppm2      5.084 CV     1
 ASSI { 1768}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      4.300     0.900     0.900 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.58699E-03 ppm1      3.604 ppm2      2.693 CV     1
 ASSI { 1769}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.400     0.300     0.300 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.47880E-02 ppm1      3.603 ppm2      1.328 CV     1
 ASSI { 1770}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.900     2.900     3.100 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.31848E-02 ppm1      3.603 ppm2      0.795 CV     1
 ASSI { 1771}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG2 ))
      4.000     0.800     0.800 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.75227E-03 ppm1      3.603 ppm2      0.675 CV     1
 OR { 1771}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI { 1772}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 55   and name HB% )
      4.200     0.900     0.900 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.12969E-02 ppm1      3.603 ppm2     -0.065 CV     1
 ASSI { 1774}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HA1 ))
      1.700     0.100     0.500 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.29816E-01 ppm1      3.536 ppm2      4.480 CV     1
 ASSI { 1775}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.700     0.700     0.700 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.13172E-02 ppm1      3.538 ppm2      3.298 CV     1
 ASSI { 1776}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 27   and name HG2 ))
      3.400     0.600     0.600 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.54694E-03 ppm1      3.537 ppm2      1.118 CV     1
 ASSI { 1778}
   (( segid "    " and resid 28   and name HA2 ))
   (  segid "    " and resid 11   and name HB% )
      4.500     1.000     1.000 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.49168E-03 ppm1      3.537 ppm2      1.675 CV     1
 ASSI { 1780}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.800     3.800     2.200 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.45049E-03 ppm1      3.390 ppm2      4.761 CV     1
 ASSI { 1782}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      3.200     0.500     0.500 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.14184E-02 ppm1      3.390 ppm2      0.777 CV     1
 ASSI { 1784}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
      1.800     0.200     0.400 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.16625E-01 ppm1      3.394 ppm2      3.047 CV     1
 ASSI { 1785}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      2.800     0.400     0.400 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.46500E-02 ppm1      3.390 ppm2      2.206 CV     1
 ASSI { 1787}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.700     0.400     0.400 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      3.311 ppm2      1.902 CV     1
 OR { 1787}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR { 1787}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR { 1787}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 1788}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HG2 ))
      2.600     0.300     0.300 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.45583E-02 ppm1      3.310 ppm2      1.747 CV     1
 OR { 1788}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HG2 ))
 ASSI { 1790}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HA  ))
      3.900     0.800     0.800 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.11247E-02 ppm1      3.309 ppm2      4.699 CV     1
 OR { 1790}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1792}
   (( segid "    " and resid 49   and name HD2 ))
   (  segid "    " and resid 23   and name HG2%)
      4.500     1.000     1.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.33747E-03 ppm1      3.310 ppm2      0.630 CV     1
 OR { 1792}
   (( segid "    " and resid 49   and name HD3 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 1793}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.100     0.800     0.800 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.45569E-03 ppm1      3.298 ppm2      2.893 CV     1
 ASSI { 1797}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      4.500     1.000     1.000 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.44316E-03 ppm1      3.296 ppm2      4.624 CV     1
 ASSI { 1798}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.500     0.300     0.300 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.41763E-02 ppm1      3.295 ppm2      1.488 CV     1
 OR { 1798}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1799}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HA1 ))
      5.100     1.300     0.900 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.32595E-03 ppm1      3.293 ppm2      4.479 CV     1
 ASSI { 1800}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 25   and name HE% )
      3.300     3.300     2.700 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.19092E-03 ppm1      3.293 ppm2      2.208 CV     1
 ASSI { 1801}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.900     0.400     0.400 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.51931E-02 ppm1      3.295 ppm2      1.121 CV     1
 OR { 1801}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI { 1802}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      4.700     1.100     1.100 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.29750E-03 ppm1      3.295 ppm2      4.890 CV     1
 ASSI { 1805}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.800     0.700     0.700 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.36574E-03 ppm1      3.194 ppm2      5.460 CV     1
 ASSI { 1806}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
      4.100     0.800     0.800 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.29161E-02 ppm1      3.191 ppm2      2.888 CV     1
 ASSI { 1809}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.400     0.400 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.39643E-02 ppm1      3.119 ppm2      4.503 CV     1
 ASSI { 1811}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
      1.800     0.200     0.400 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.24718E-01 ppm1      3.119 ppm2      3.000 CV     1
 ASSI { 1812}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.300     0.300 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.42097E-02 ppm1      3.075 ppm2      4.726 CV     1
 ASSI { 1813}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
      3.300     0.500     0.500 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.26358E-02 ppm1      3.075 ppm2      2.743 CV     1
 ASSI { 1814}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
      4.300     0.900     0.900 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.55476E-03 ppm1      3.074 ppm2      2.595 CV     1
 ASSI { 1815}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      2.200     0.300     0.300 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.66434E-02 ppm1      3.073 ppm2      2.205 CV     1
 ASSI { 1816}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 53   and name HG1%)
      4.500     1.000     1.000 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.34948E-03 ppm1      3.074 ppm2      1.130 CV     1
 ASSI { 1817}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.300     0.300 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.47143E-02 ppm1      3.064 ppm2      4.345 CV     1
 ASSI { 1818}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      4.200     0.900     0.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.44297E-03 ppm1      3.065 ppm2      4.503 CV     1
 ASSI { 1819}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
      1.500     0.100     0.700 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.37195E-01 ppm1      3.066 ppm2      2.883 CV     1
 ASSI { 1820}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     2.200     0.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.68735E-04 ppm1      3.071 ppm2      1.051 CV     1
 ASSI { 1822}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HD2 ))
      2.500     2.500     3.500 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.52897E-02 ppm1      3.067 ppm2      1.733 CV     1
 OR { 1822}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HD3 ))
 OR { 1822}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HD2 ))
 OR { 1822}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HD3 ))
 ASSI { 1823}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 53   and name HG2%)
      4.600     4.600     1.400 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.42236E-03 ppm1      3.067 ppm2      0.706 CV     1
 ASSI { 1826}
   (( segid "    " and resid 39   and name HE3 ))
   (( segid "    " and resid 39   and name HB3 ))
      4.100     0.800     0.800 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.85172E-03 ppm1      3.056 ppm2      1.787 CV     1
 OR { 1826}
   (( segid "    " and resid 39   and name HE2 ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI { 1827}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 58   and name HG1%)
      2.800     0.400     0.400 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.25967E-02 ppm1      3.044 ppm2      0.776 CV     1
 ASSI { 1828}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HG2 ))
      4.200     4.200     1.800 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.31629E-03 ppm1      3.061 ppm2      1.600 CV     1
 OR { 1828}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 1829}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 52   and name HB2 ))
      4.300     4.300     1.700 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.87426E-03 ppm1      3.015 ppm2      3.193 CV     1
 ASSI { 1830}
   (( segid "    " and resid 39   and name HE3 ))
   (( segid "    " and resid 39   and name HG3 ))
      3.000     3.000     3.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.21850E-02 ppm1      3.047 ppm2      1.469 CV     1
 OR { 1830}
   (( segid "    " and resid 39   and name HE2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR { 1830}
   (( segid "    " and resid 39   and name HE2 ))
   (( segid "    " and resid 39   and name HG3 ))
 OR { 1830}
   (( segid "    " and resid 39   and name HE3 ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 1832}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     0.400     0.400 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.51380E-02 ppm1      3.033 ppm2      4.623 CV     1
 ASSI { 1834}
   (( segid "    " and resid 39   and name HE3 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.300     2.300     3.700 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      3.040 ppm2      2.706 CV     1
 OR { 1834}
   (( segid "    " and resid 39   and name HE2 ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1836}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      4.500     1.000     1.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.34993E-03 ppm1      3.008 ppm2      4.007 CV     1
 ASSI { 1837}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 14   and name HB3 ))
      3.200     3.200     2.800 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.17904E-02 ppm1      3.020 ppm2      2.702 CV     1
 OR { 1837}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 14   and name HB3 ))
 ASSI { 1839}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB3 ))
      1.800     0.200     0.400 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.20252E-01 ppm1      3.008 ppm2      2.826 CV     1
 ASSI { 1843}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     0.400     0.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.34795E-02 ppm1      3.006 ppm2      4.508 CV     1
 ASSI { 1845}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 26   and name HG3 ))
      3.700     3.700     2.300 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.69703E-03 ppm1      3.011 ppm2      1.436 CV     1
 OR { 1845}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 26   and name HG2 ))
 OR { 1845}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 26   and name HG3 ))
 OR { 1845}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI { 1848}
   (( segid "    " and resid 59   and name HE3 ))
   (  segid "    " and resid 61   and name HD2%)
      3.300     3.300     2.700 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.15252E-02 ppm1      2.972 ppm2      0.890 CV     1
 OR { 1848}
   (( segid "    " and resid 59   and name HE2 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI { 1851}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      3.800     0.700     0.700 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.11860E-02 ppm1      2.985 ppm2      2.051 CV     1
 ASSI { 1852}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.300     0.300 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.87704E-02 ppm1      2.981 ppm2      4.534 CV     1
 OR { 1852}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 1854}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HB3 ))
      3.600     0.700     0.700 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.22301E-02 ppm1      2.972 ppm2      1.749 CV     1
 OR { 1854}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 1854}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HB3 ))
 OR { 1854}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1855}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
      3.800     0.700     0.700 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.37586E-03 ppm1      2.982 ppm2      1.564 CV     1
 OR { 1855}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1859}
   (( segid "    " and resid 6    and name HE3 ))
   (  segid "    " and resid 8    and name HD2%)
      4.400     1.000     1.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.22223E-03 ppm1      2.976 ppm2      0.776 CV     1
 OR { 1859}
   (( segid "    " and resid 6    and name HE2 ))
   (  segid "    " and resid 8    and name HD2%)
 ASSI { 1860}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HG3 ))
      3.200     0.500     0.500 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.18775E-02 ppm1      2.969 ppm2      1.394 CV     1
 OR { 1860}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 1861}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HG2 ))
      3.200     3.200     2.800 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.16707E-02 ppm1      2.967 ppm2      1.471 CV     1
 OR { 1861}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1863}
   (( segid "    " and resid 27   and name HE3 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.900     2.900     3.100 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.24073E-02 ppm1      2.951 ppm2      1.606 CV     1
 OR { 1863}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HD3 ))
 OR { 1863}
   (( segid "    " and resid 27   and name HE3 ))
   (( segid "    " and resid 27   and name HD3 ))
 OR { 1863}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI { 1864}
   (( segid "    " and resid 27   and name HE3 ))
   (( segid "    " and resid 26   and name HD3 ))
      3.700     0.700     0.700 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.13973E-02 ppm1      2.946 ppm2      1.665 CV     1
 OR { 1864}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 26   and name HD3 ))
 OR { 1864}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 26   and name HD2 ))
 OR { 1864}
   (( segid "    " and resid 27   and name HE3 ))
   (( segid "    " and resid 26   and name HD2 ))
 ASSI { 1865}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HG3 ))
      2.700     2.700     3.300 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.38981E-02 ppm1      2.943 ppm2      1.120 CV     1
 OR { 1865}
   (( segid "    " and resid 27   and name HE3 ))
   (( segid "    " and resid 27   and name HG2 ))
 OR { 1865}
   (( segid "    " and resid 27   and name HE3 ))
   (( segid "    " and resid 27   and name HG3 ))
 OR { 1865}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 1866}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     0.600     0.600 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.14175E-02 ppm1      2.922 ppm2      4.889 CV     1
 ASSI { 1867}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      1.700     0.100     0.500 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.34477E-01 ppm1      2.921 ppm2      2.708 CV     1
 ASSI { 1869}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     0.400     0.400 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.31620E-02 ppm1      2.899 ppm2      4.579 CV     1
 ASSI { 1871}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 31   and name HG  ))
      4.100     4.100     1.900 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.58284E-03 ppm1      2.904 ppm2      1.599 CV     1
 ASSI { 1873}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 11   and name HB% )
      2.700     0.400     0.400 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.33469E-02 ppm1      2.898 ppm2      1.674 CV     1
 ASSI { 1874}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.300     0.300 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.46591E-02 ppm1      2.919 ppm2      4.662 CV     1
 ASSI { 1875}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.400     0.400 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.50643E-02 ppm1      2.894 ppm2      4.854 CV     1
 ASSI { 1877}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      3.100     0.500     0.500 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.15078E-02 ppm1      2.899 ppm2      0.924 CV     1
 ASSI { 1878}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
      1.600     0.100     0.600 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.34505E-01 ppm1      2.885 ppm2      2.718 CV     1
 ASSI { 1879}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.000     0.400     0.400 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.26499E-02 ppm1      2.885 ppm2      5.084 CV     1
 ASSI { 1880}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     0.500     0.500 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.16454E-02 ppm1      2.877 ppm2      4.720 CV     1
 ASSI { 1882}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      4.000     0.800     0.800 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.17412E-02 ppm1      2.885 ppm2      2.157 CV     1
 ASSI { 1884}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 53   and name HG1%)
      4.000     0.800     0.800 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.38986E-03 ppm1      2.886 ppm2      1.132 CV     1
 ASSI { 1886}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 46   and name HG2%)
      5.200     1.400     0.800 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.21187E-03 ppm1      2.876 ppm2      0.974 CV     1
 ASSI { 1887}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     0.400     0.400 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.25496E-02 ppm1      2.876 ppm2      4.344 CV     1
 ASSI { 1889}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.600     0.100     0.600 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.36701E-01 ppm1      2.875 ppm2      3.071 CV     1
 ASSI { 1890}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      1.800     0.200     0.400 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.18309E-01 ppm1      2.882 ppm2      2.068 CV     1
 ASSI { 1891}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.800     0.700     0.700 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.16072E-02 ppm1      2.882 ppm2      0.712 CV     1
 ASSI { 1892}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      3.900     0.800     0.800 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      2.882 ppm2      0.396 CV     1
 ASSI { 1894}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      4.900     1.200     1.100 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.27371E-03 ppm1      2.879 ppm2      4.505 CV     1
 ASSI { 1895}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HB3 ))
      1.900     0.200     0.300 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.17587E-01 ppm1      2.874 ppm2      2.786 CV     1
 ASSI { 1897}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      4.100     0.800     0.800 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.32861E-03 ppm1      2.877 ppm2      5.032 CV     1
 ASSI { 1898}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      4.700     1.100     1.100 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.38319E-03 ppm1      2.876 ppm2      4.662 CV     1
 ASSI { 1900}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 25   and name HE% )
      2.900     0.400     0.400 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.34235E-02 ppm1      2.876 ppm2      2.207 CV     1
 ASSI { 1901}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     0.400     0.400 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.30840E-02 ppm1      2.876 ppm2      4.750 CV     1
 ASSI { 1903}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HD3 ))
      3.100     3.100     2.900 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.16091E-02 ppm1      2.839 ppm2      1.683 CV     1
 ASSI { 1904}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.300     0.300 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.40528E-02 ppm1      2.826 ppm2      4.740 CV     1
 ASSI { 1905}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HD2 ))
      2.900     0.400     0.400 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.20459E-02 ppm1      2.834 ppm2      1.750 CV     1
 ASSI { 1906}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HG3 ))
      3.900     0.800     0.800 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.48570E-03 ppm1      2.833 ppm2      1.394 CV     1
 OR { 1906}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI { 1907}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 58   and name HG2%)
      3.800     0.700     0.700 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.99903E-03 ppm1      2.818 ppm2      0.775 CV     1
 ASSI { 1908}
   (( segid "    " and resid 60   and name HE2 ))
   (  segid "    " and resid 33   and name HD1%)
      3.600     0.700     0.700 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.79969E-03 ppm1      2.830 ppm2      0.397 CV     1
 ASSI { 1911}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
      4.000     0.800     0.800 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.19502E-02 ppm1      2.826 ppm2      1.622 CV     1
 ASSI { 1912}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      5.400     1.400     0.600 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.37572E-03 ppm1      2.826 ppm2      1.446 CV     1
 ASSI { 1913}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 43   and name HD2 ))
      4.000     0.800     0.800 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.78864E-03 ppm1      2.826 ppm2      1.329 CV     1
 OR { 1913}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 43   and name HD3 ))
 ASSI { 1914}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 43   and name HB3 ))
      4.300     0.900     0.900 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.10897E-02 ppm1      2.826 ppm2      1.284 CV     1
 ASSI { 1916}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     1.900     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.21003E-03 ppm1      2.820 ppm2      5.082 CV     1
 ASSI { 1918}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 44   and name HG1%)
      3.200     0.500     0.500 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.10400E-02 ppm1      2.819 ppm2      0.869 CV     1
 ASSI { 1919}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 53   and name HG2%)
      3.000     0.400     0.400 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.36604E-02 ppm1      2.820 ppm2      0.711 CV     1
 ASSI { 1920}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 55   and name HB% )
      5.400     1.500     0.600 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.12918E-03 ppm1      2.819 ppm2     -0.066 CV     1
 ASSI { 1921}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 1    and name HG3 ))
      3.100     0.500     0.500 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.16850E-02 ppm1      2.789 ppm2      2.615 CV     1
 ASSI { 1923}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.300     0.500     0.500 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.15382E-02 ppm1      2.745 ppm2      2.157 CV     1
 ASSI { 1924}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 31   and name HD1%)
      3.800     0.700     0.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.56996E-03 ppm1      2.742 ppm2      0.886 CV     1
 ASSI { 1925}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.900     0.800     0.800 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.69887E-03 ppm1      2.741 ppm2      4.903 CV     1
 ASSI { 1926}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 25   and name HE% )
      2.700     0.400     0.400 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.30960E-02 ppm1      2.743 ppm2      2.207 CV     1
 ASSI { 1927}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.800     0.400     0.400 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.16670E-02 ppm1      2.742 ppm2      1.932 CV     1
 ASSI { 1928}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HG3 ))
      1.800     0.200     0.400 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.14194E-01 ppm1      2.742 ppm2      2.595 CV     1
 ASSI { 1931}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 31   and name HD2%)
      4.500     1.000     1.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.42130E-03 ppm1      2.743 ppm2      0.924 CV     1
 ASSI { 1933}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HB2 ))
      1.900     0.200     0.300 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.13627E-01 ppm1      2.722 ppm2      3.193 CV     1
 ASSI { 1934}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      4.900     1.200     1.100 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.46177E-03 ppm1      2.714 ppm2      3.764 CV     1
 ASSI { 1935}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HD3 ))
      2.800     0.400     0.400 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.24584E-02 ppm1      2.720 ppm2      1.677 CV     1
 ASSI { 1936}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     0.400     0.400 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.31168E-02 ppm1      2.708 ppm2      4.576 CV     1
 ASSI { 1937}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
      1.900     0.200     0.300 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.17522E-01 ppm1      2.707 ppm2      2.341 CV     1
 ASSI { 1938}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     0.400     0.400 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.19041E-02 ppm1      2.722 ppm2      5.656 CV     1
 ASSI { 1939}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      3.700     3.700     2.300 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.13406E-02 ppm1      2.722 ppm2      5.457 CV     1
 ASSI { 1940}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     0.400     0.400 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.26344E-02 ppm1      2.701 ppm2      4.660 CV     1
 ASSI { 1942}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 62   and name HB3 ))
      2.600     0.300     0.300 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.62934E-02 ppm1      2.715 ppm2      2.982 CV     1
 OR { 1942}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1943}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HB2 ))
      4.500     1.000     1.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.53542E-03 ppm1      2.717 ppm2      2.058 CV     1
 ASSI { 1944}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HD2 ))
      2.900     0.400     0.400 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.20156E-02 ppm1      2.714 ppm2      1.746 CV     1
 ASSI { 1945}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.400     0.400 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.20690E-02 ppm1      2.714 ppm2      5.084 CV     1
 ASSI { 1947}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HG3 ))
      3.500     3.500     2.500 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      2.715 ppm2      1.392 CV     1
 OR { 1947}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI { 1949}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.700     0.100     0.500 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.25891E-01 ppm1      2.689 ppm2      2.828 CV     1
 ASSI { 1950}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      3.900     0.800     0.800 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.50918E-03 ppm1      2.710 ppm2      4.891 CV     1
 ASSI { 1952}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.400     0.300     0.300 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.33019E-02 ppm1      2.689 ppm2      1.621 CV     1
 ASSI { 1953}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 43   and name HB3 ))
      2.600     2.600     3.400 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.19332E-02 ppm1      2.687 ppm2      1.283 CV     1
 ASSI { 1955}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.600     0.300     0.300 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.42333E-02 ppm1      2.688 ppm2      0.777 CV     1
 ASSI { 1956}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 55   and name HB% )
      2.300     0.300     0.300 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.89223E-02 ppm1      2.691 ppm2     -0.065 CV     1
 ASSI { 1957}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     0.500     0.500 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.21265E-02 ppm1      2.688 ppm2      4.740 CV     1
 ASSI { 1959}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.700     1.100     1.100 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.37410E-03 ppm1      2.689 ppm2      1.450 CV     1
 ASSI { 1960}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 43   and name HD2 ))
      3.300     0.500     0.500 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.15331E-02 ppm1      2.689 ppm2      1.332 CV     1
 OR { 1960}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 43   and name HD3 ))
 ASSI { 1962}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 53   and name HG2%)
      3.400     0.600     0.600 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      2.689 ppm2      0.709 CV     1
 ASSI { 1963}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HG3 ))
      2.100     2.100     3.900 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.71129E-02 ppm1      2.660 ppm2      2.550 CV     1
 ASSI { 1964}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.000     0.200     0.200 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.17159E-01 ppm1      2.659 ppm2      2.276 CV     1
 OR { 1964}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 1968}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.400     0.400 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.36998E-02 ppm1      2.619 ppm2      4.579 CV     1
 ASSI { 1969}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
      1.800     0.200     0.400 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.20262E-01 ppm1      2.621 ppm2      2.899 CV     1
 ASSI { 1970}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 11   and name HB% )
      3.600     0.600     0.600 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.19134E-02 ppm1      2.621 ppm2      1.675 CV     1
 ASSI { 1971}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 31   and name HG  ))
      3.900     3.900     2.100 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.91433E-03 ppm1      2.621 ppm2      1.598 CV     1
 ASSI { 1972}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 46   and name HG1%)
      3.600     0.700     0.700 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.77943E-03 ppm1      2.621 ppm2      1.051 CV     1
 ASSI { 1973}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 31   and name HD2%)
      2.900     0.400     0.400 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.22191E-02 ppm1      2.621 ppm2      0.923 CV     1
 ASSI { 1974}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 30   and name HD1%)
      3.400     3.400     2.600 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.16933E-02 ppm1      2.621 ppm2      0.885 CV     1
 ASSI { 1978}
   (( segid "    " and resid 25   and name HG3 ))
   (  segid "    " and resid 11   and name HB% )
      2.800     0.400     0.400 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.21468E-02 ppm1      2.595 ppm2      1.673 CV     1
 ASSI { 1981}
   (( segid "    " and resid 25   and name HG3 ))
   (  segid "    " and resid 53   and name HG1%)
      4.300     0.900     0.900 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.47696E-03 ppm1      2.592 ppm2      1.129 CV     1
 ASSI { 1984}
   (( segid "    " and resid 43   and name HE2 ))
   (( segid "    " and resid 43   and name HD3 ))
      2.900     2.900     3.100 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.17992E-02 ppm1      2.590 ppm2      1.337 CV     1
 OR { 1984}
   (( segid "    " and resid 43   and name HE2 ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI { 1985}
   (( segid "    " and resid 43   and name HE2 ))
   (  segid "    " and resid 34   and name HD1%)
      4.300     0.900     0.900 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.42227E-03 ppm1      2.585 ppm2      0.709 CV     1
 ASSI { 1986}
   (( segid "    " and resid 43   and name HE2 ))
   (( segid "    " and resid 43   and name HG2 ))
      4.200     0.900     0.900 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.46867E-03 ppm1      2.580 ppm2      1.064 CV     1
 ASSI { 1987}
   (( segid "    " and resid 43   and name HE2 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.900     0.700     0.700 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.76838E-03 ppm1      2.583 ppm2      0.416 CV     1
 ASSI { 1988}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     0.400     0.400 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.21951E-02 ppm1      2.542 ppm2      5.458 CV     1
 ASSI { 1989}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
      5.600     1.600     0.400 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.15975E-03 ppm1      2.542 ppm2      4.101 CV     1
 ASSI { 1990}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 52   and name HB3 ))
      2.700     2.700     3.300 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.65190E-02 ppm1      2.541 ppm2      2.722 CV     1
 ASSI { 1992}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HB3 ))
      2.000     2.000     4.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.16625E-01 ppm1      2.543 ppm2      2.275 CV     1
 OR { 1992}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1993}
   (( segid "    " and resid 22   and name HG3 ))
   (  segid "    " and resid 21   and name HB% )
      4.400     1.000     1.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.19341E-03 ppm1      2.540 ppm2      1.456 CV     1
 ASSI { 1994}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 50   and name HB2 ))
      3.800     3.800     2.200 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.40389E-03 ppm1      2.526 ppm2      1.856 CV     1
 ASSI { 1995}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 43   and name HD2 ))
      3.100     3.100     2.900 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.15050E-02 ppm1      2.528 ppm2      1.336 CV     1
 OR { 1995}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 43   and name HD3 ))
 ASSI { 1996}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HA  ))
      5.000     1.300     1.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.26676E-03 ppm1      2.202 ppm2      4.904 CV     1
 ASSI { 1997}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 50   and name HB3 ))
      3.700     0.700     0.700 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.47972E-03 ppm1      2.525 ppm2      1.734 CV     1
 ASSI { 1998}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 43   and name HG2 ))
      3.500     3.500     2.500 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.51656E-03 ppm1      2.521 ppm2      1.066 CV     1
 ASSI { 1999}
   (( segid "    " and resid 43   and name HE3 ))
   (  segid "    " and resid 34   and name HD1%)
      3.400     0.600     0.600 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.71635E-03 ppm1      2.523 ppm2      0.710 CV     1
 ASSI { 2000}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.900     0.800     0.800 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.48294E-03 ppm1      2.520 ppm2      0.412 CV     1
 ASSI { 2001}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.000     2.000     4.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.17218E-01 ppm1      2.492 ppm2      2.030 CV     1
 ASSI { 2002}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HG2 ))
      1.800     0.200     0.400 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.21680E-01 ppm1      2.492 ppm2      2.384 CV     1
 ASSI { 2003}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.200     2.200     3.800 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.20146E-02 ppm1      2.474 ppm2      2.277 CV     1
 OR { 2003}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 2004}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.300     0.300 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.44610E-02 ppm1      2.466 ppm2      4.793 CV     1
 ASSI { 2005}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     1.000     1.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.18415E-03 ppm1      2.466 ppm2      3.607 CV     1
 ASSI { 2006}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HD2 ))
      1.800     0.200     0.400 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.13535E-01 ppm1      2.466 ppm2      2.191 CV     1
 ASSI { 2007}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 53   and name HB  ))
      3.500     0.600     0.600 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.29078E-02 ppm1      2.466 ppm2      1.790 CV     1
 ASSI { 2009}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 53   and name HG1%)
      4.200     0.900     0.900 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.80199E-03 ppm1      2.466 ppm2      1.129 CV     1
 ASSI { 2010}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 58   and name HG1%)
      3.400     3.400     2.600 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.31785E-02 ppm1      2.466 ppm2      0.770 CV     1
 ASSI { 2011}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.700     0.400     0.400 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.22098E-02 ppm1      2.466 ppm2      0.676 CV     1
 OR { 2011}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 2012}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.400     0.400 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.35763E-02 ppm1      2.492 ppm2      4.533 CV     1
 ASSI { 2013}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.300     0.300 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.57641E-02 ppm1      2.459 ppm2      4.534 CV     1
 ASSI { 2014}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HD3 ))
      4.200     4.200     1.800 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.25022E-03 ppm1      2.459 ppm2      3.780 CV     1
 ASSI { 2015}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.400     2.400     3.600 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.36025E-02 ppm1      2.459 ppm2      2.082 CV     1
 ASSI { 2016}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.100     0.200     0.200 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.16136E-01 ppm1      2.459 ppm2      1.991 CV     1
 OR { 2016}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI { 2017}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HA  ))
      4.000     4.000     2.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.42959E-03 ppm1      2.465 ppm2      4.465 CV     1
 OR { 2017}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 2020}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.800     0.400     0.400 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.28360E-02 ppm1      2.384 ppm2      2.029 CV     1
 ASSI { 2021}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     0.500     0.500 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.24544E-02 ppm1      2.378 ppm2      4.534 CV     1
 ASSI { 2023}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.600     0.300     0.300 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.37240E-02 ppm1      2.381 ppm2      2.065 CV     1
 ASSI { 2024}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 33   and name HD1%)
      5.200     5.200     0.800 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.83653E-04 ppm1      2.378 ppm2      0.394 CV     1
 ASSI { 2025}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 22   and name HG3 ))
      5.000     1.200     1.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.40316E-03 ppm1      2.348 ppm2      2.543 CV     1
 OR { 2025}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 22   and name HG3 ))
 ASSI { 2027}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     0.600     0.600 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      2.355 ppm2      4.096 CV     1
 OR { 2027}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 2029}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     0.500     0.500 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.14525E-02 ppm1      2.336 ppm2      5.455 CV     1
 ASSI { 2030}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     3.500     2.500 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.91984E-03 ppm1      2.336 ppm2      4.505 CV     1
 ASSI { 2031}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HG3 ))
      1.700     0.100     0.500 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.31823E-01 ppm1      2.337 ppm2      2.254 CV     1
 ASSI { 2033}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 53   and name HG2%)
      3.000     0.400     0.400 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.30329E-02 ppm1      2.202 ppm2      0.705 CV     1
 ASSI { 2034}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.400     0.400 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.42931E-02 ppm1      2.338 ppm2      4.574 CV     1
 ASSI { 2038}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     0.600     0.600 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.12343E-02 ppm1      2.298 ppm2      4.564 CV     1
 ASSI { 2045}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 21   and name HB% )
      3.700     0.700     0.700 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.14060E-02 ppm1      2.267 ppm2      1.455 CV     1
 OR { 2045}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 21   and name HB% )
 ASSI { 2046}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.300     0.300 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.56948E-02 ppm1      2.258 ppm2      5.457 CV     1
 ASSI { 2047}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.300     0.300 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.37052E-02 ppm1      2.252 ppm2      1.961 CV     1
 ASSI { 2048}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.600     0.300     0.300 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.32209E-02 ppm1      2.248 ppm2      1.737 CV     1
 ASSI { 2049}
   (( segid "    " and resid 50   and name HG2 ))
   (  segid "    " and resid 34   and name HD1%)
      3.200     0.500     0.500 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.14106E-02 ppm1      2.240 ppm2      0.709 CV     1
 ASSI { 2050}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     3.000     3.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.25018E-02 ppm1      2.255 ppm2      4.556 CV     1
 ASSI { 2052}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
      1.700     0.100     0.500 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.17232E-01 ppm1      2.247 ppm2      1.849 CV     1
 ASSI { 2053}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 24   and name HG2%)
      5.000     1.300     1.000 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.38715E-03 ppm1      2.246 ppm2      1.338 CV     1
 ASSI { 2054}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
      3.700     0.700     0.700 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.61278E-03 ppm1      2.247 ppm2      4.507 CV     1
 ASSI { 2056}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
      5.700     1.600     0.300 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.16072E-03 ppm1      2.240 ppm2      4.701 CV     1
 ASSI { 2057}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     0.600     0.600 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.10860E-02 ppm1      2.239 ppm2      5.562 CV     1
 ASSI { 2061}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 46   and name HG2%)
      4.900     1.200     1.100 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.20312E-03 ppm1      2.206 ppm2      0.977 CV     1
 ASSI { 2062}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.400     0.400 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.26909E-02 ppm1      2.195 ppm2      4.791 CV     1
 ASSI { 2063}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.900     0.800     0.800 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.55799E-03 ppm1      2.191 ppm2      3.608 CV     1
 ASSI { 2065}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 53   and name HB  ))
      2.100     0.200     0.200 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.67584E-02 ppm1      2.202 ppm2      1.790 CV     1
 ASSI { 2066}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HB3 ))
      4.200     0.900     0.900 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.59850E-03 ppm1      2.194 ppm2      1.329 CV     1
 ASSI { 2068}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 12   and name HG  ))
      5.200     1.400     0.800 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.14884E-03 ppm1      2.201 ppm2      1.397 CV     1
 ASSI { 2069}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 46   and name HG1%)
      5.300     1.400     0.700 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.13098E-03 ppm1      2.201 ppm2      1.052 CV     1
 ASSI { 2077}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      1.900     0.200     0.300 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.11091E-01 ppm1      2.155 ppm2      1.930 CV     1
 ASSI { 2078}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
      2.800     0.400     0.400 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.16067E-02 ppm1      2.153 ppm2      2.594 CV     1
 ASSI { 2080}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.400     0.400 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.29846E-02 ppm1      2.154 ppm2      4.906 CV     1
 ASSI { 2083}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 11   and name HB% )
      2.700     0.400     0.400 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.26494E-02 ppm1      2.153 ppm2      1.674 CV     1
 ASSI { 2084}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.300     0.300 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.46269E-02 ppm1      2.140 ppm2      4.505 CV     1
 ASSI { 2086}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
      2.300     0.300     0.300 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.67678E-02 ppm1      2.142 ppm2      1.051 CV     1
 ASSI { 2087}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
      2.300     0.300     0.300 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.71498E-02 ppm1      2.144 ppm2      0.974 CV     1
 ASSI { 2088}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
      2.900     2.900     3.100 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.77528E-02 ppm1      2.141 ppm2      0.920 CV     1
 ASSI { 2089}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 23   and name HG2%)
      4.400     4.400     1.600 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.28866E-03 ppm1      2.142 ppm2      0.630 CV     1
 ASSI { 2090}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 31   and name HA  ))
      3.900     3.900     2.100 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.14267E-02 ppm1      2.138 ppm2      5.016 CV     1
 ASSI { 2092}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.900     0.400     0.400 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.33893E-02 ppm1      2.126 ppm2      1.734 CV     1
 ASSI { 2093}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG1%)
      2.100     0.200     0.200 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.10828E-01 ppm1      2.135 ppm2      0.876 CV     1
 ASSI { 2096}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      4.700     1.100     1.100 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.18650E-03 ppm1      2.133 ppm2      4.412 CV     1
 ASSI { 2098}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 45   and name HG2 ))
      4.300     4.300     1.700 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.13637E-02 ppm1      2.122 ppm2      2.347 CV     1
 ASSI { 2099}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HG2 ))
      1.900     0.200     0.300 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.13710E-01 ppm1      2.116 ppm2      2.236 CV     1
 ASSI { 2100}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     0.300     0.300 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.53498E-02 ppm1      2.120 ppm2      1.866 CV     1
 ASSI { 2101}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     0.300     0.300 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.50228E-02 ppm1      2.134 ppm2      1.633 CV     1
 ASSI { 2102}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.800     0.400     0.400 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.22062E-02 ppm1      2.134 ppm2      1.473 CV     1
 ASSI { 2103}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      2.200     0.300     0.300 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.76563E-02 ppm1      2.134 ppm2      0.817 CV     1
 ASSI { 2104}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      3.100     3.100     2.900 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.23521E-02 ppm1      2.134 ppm2      0.775 CV     1
 OR { 2104}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2105}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     3.500     2.500 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      2.129 ppm2      5.457 CV     1
 ASSI { 2107}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 11   and name HB% )
      2.800     0.400     0.400 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.28388E-02 ppm1      2.202 ppm2      1.674 CV     1
 ASSI { 2108}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 53   and name HG1%)
      3.000     0.400     0.400 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      2.202 ppm2      1.130 CV     1
 ASSI { 2109}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 11   and name HA  ))
      3.500     0.600     0.600 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.86460E-03 ppm1      2.203 ppm2      4.617 CV     1
 ASSI { 2111}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 21   and name HB% )
      4.000     0.800     0.800 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.43466E-03 ppm1      2.087 ppm2      1.468 CV     1
 ASSI { 2114}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      5.600     1.600     0.400 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.20068E-03 ppm1      2.085 ppm2      4.900 CV     1
 ASSI { 2115}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
      3.400     0.600     0.600 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.84941E-03 ppm1      2.203 ppm2      0.881 CV     1
 ASSI { 2116}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.300     0.300     0.300 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.50918E-02 ppm1      2.192 ppm2      0.674 CV     1
 OR { 2116}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI { 2121}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG3 ))
      1.800     0.200     0.400 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.35292E-01 ppm1      2.080 ppm2      1.995 CV     1
 OR { 2121}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 2122}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 12   and name HB2 ))
      4.600     1.000     1.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.21601E-03 ppm1      2.203 ppm2      1.203 CV     1
 ASSI { 2127}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HD2 ))
      2.800     2.800     3.200 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.50273E-02 ppm1      2.068 ppm2      1.750 CV     1
 ASSI { 2129}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 33   and name HD1%)
      2.500     0.300     0.300 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.38517E-02 ppm1      2.066 ppm2      0.395 CV     1
 ASSI { 2130}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     2.600     3.400 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.55245E-02 ppm1      2.067 ppm2      4.534 CV     1
 ASSI { 2132}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      4.100     4.100     1.900 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.67447E-03 ppm1      2.061 ppm2      4.409 CV     1
 ASSI { 2133}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.600     2.600     3.400 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.53681E-02 ppm1      2.051 ppm2      4.487 CV     1
 ASSI { 2136}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 6    and name HD2 ))
      2.700     2.700     3.300 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.33290E-02 ppm1      2.060 ppm2      1.683 CV     1
 OR { 2136}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 6    and name HD3 ))
 ASSI { 2137}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HG3 ))
      2.700     2.700     3.300 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.30270E-02 ppm1      2.059 ppm2      1.393 CV     1
 OR { 2137}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI { 2138}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     0.400     0.400 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.23006E-02 ppm1      2.042 ppm2      4.623 CV     1
 ASSI { 2139}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
      1.900     0.200     0.300 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.14143E-01 ppm1      2.043 ppm2      3.035 CV     1
 ASSI { 2144}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      4.500     1.000     1.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.64592E-03 ppm1      2.027 ppm2      5.547 CV     1
 ASSI { 2145}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG2%)
      2.400     0.300     0.300 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.52115E-02 ppm1      2.028 ppm2      0.825 CV     1
 ASSI { 2146}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 33   and name HD1%)
      2.700     0.400     0.400 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.22066E-02 ppm1      2.030 ppm2      0.395 CV     1
 ASSI { 2147}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.300     0.300 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.41113E-02 ppm1      2.026 ppm2      5.232 CV     1
 ASSI { 2149}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG1%)
      2.300     0.300     0.300 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.61323E-02 ppm1      2.026 ppm2      1.051 CV     1
 ASSI { 2150}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 44   and name HG1%)
      3.500     0.600     0.600 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.17297E-02 ppm1      2.025 ppm2      0.873 CV     1
 ASSI { 2151}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.800     0.400     0.400 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.46130E-02 ppm1      2.026 ppm2      0.778 CV     1
 ASSI { 2152}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 33   and name HD2%)
      4.500     1.000     1.000 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.61692E-03 ppm1      2.025 ppm2      0.715 CV     1
 ASSI { 2154}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     0.400     0.400 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.38967E-02 ppm1      2.016 ppm2      4.428 CV     1
 ASSI { 2155}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
      1.700     0.100     0.500 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.26099E-01 ppm1      2.017 ppm2      1.918 CV     1
 ASSI { 2157}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG2 ))
      3.200     0.500     0.500 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.27361E-02 ppm1      2.016 ppm2      1.602 CV     1
 ASSI { 2160}
   (( segid "    " and resid 20   and name HG3 ))
   (  segid "    " and resid 21   and name HB% )
      3.400     0.600     0.600 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.11758E-02 ppm1      1.993 ppm2      1.464 CV     1
 OR { 2160}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 21   and name HB% )
 ASSI { 2162}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
      3.300     0.500     0.500 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.34977E-02 ppm1      1.988 ppm2      4.534 CV     1
 OR { 2162}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 2163}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 19   and name HB2 ))
      5.600     5.600     0.400 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.14387E-03 ppm1      1.989 ppm2      4.128 CV     1
 OR { 2163}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 2165}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
      5.000     1.300     1.000 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.45103E-03 ppm1      1.988 ppm2      4.897 CV     1
 OR { 2165}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 2169}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     0.400     0.400 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.23729E-02 ppm1      1.828 ppm2      4.419 CV     1
 OR { 2169}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 2170}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 3    and name HG3 ))
      3.100     3.100     2.900 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.29199E-03 ppm1      1.874 ppm2      2.467 CV     1
 OR { 2170}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 3    and name HG2 ))
 ASSI { 2171}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.000     0.200     0.200 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.13278E-01 ppm1      1.965 ppm2      2.184 CV     1
 ASSI { 2172}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.700     2.700     3.300 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.22577E-02 ppm1      1.964 ppm2      1.738 CV     1
 ASSI { 2173}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     0.400     0.400 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.16910E-02 ppm1      1.956 ppm2      5.454 CV     1
 ASSI { 2176}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
      3.000     0.400     0.400 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.36472E-02 ppm1      1.953 ppm2      2.336 CV     1
 ASSI { 2177}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 34   and name HG  ))
      3.800     0.700     0.700 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.47098E-03 ppm1      1.959 ppm2      1.456 CV     1
 ASSI { 2178}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 32   and name HG2%)
      3.600     0.700     0.700 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      1.959 ppm2      1.154 CV     1
 ASSI { 2179}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
      1.800     0.200     0.400 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.14654E-01 ppm1      1.954 ppm2      1.880 CV     1
 ASSI { 2180}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
      2.600     2.600     3.400 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.27342E-02 ppm1      1.951 ppm2      0.709 CV     1
 ASSI { 2182}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.800     0.700     0.700 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.15165E-02 ppm1      1.671 ppm2      4.482 CV     1
 ASSI { 2185}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.400     0.400 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.30593E-02 ppm1      1.928 ppm2      4.906 CV     1
 ASSI { 2188}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 53   and name HG1%)
      3.600     0.600     0.600 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.55799E-03 ppm1      1.925 ppm2      1.131 CV     1
 ASSI { 2190}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 31   and name HD2%)
      3.400     0.600     0.600 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.16684E-02 ppm1      1.920 ppm2      0.921 CV     1
 ASSI { 2192}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG3 ))
      2.200     0.200     0.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.12831E-01 ppm1      1.909 ppm2      1.678 CV     1
 OR { 2192}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI { 2193}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 9    and name HG1%)
      3.300     0.500     0.500 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.20114E-02 ppm1      1.918 ppm2      1.052 CV     1
 ASSI { 2196}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     0.500     0.500 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.18494E-02 ppm1      1.913 ppm2      4.428 CV     1
 ASSI { 2197}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.100     0.200     0.200 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.11293E-01 ppm1      1.916 ppm2      0.777 CV     1
 ASSI { 2199}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      5.000     1.300     1.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.34138E-03 ppm1      1.912 ppm2      5.233 CV     1
 ASSI { 2200}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     0.900     0.900 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.32894E-03 ppm1      1.914 ppm2      4.620 CV     1
 ASSI { 2201}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HG2 ))
      2.500     0.300     0.300 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.43105E-02 ppm1      1.914 ppm2      1.600 CV     1
 ASSI { 2203}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 9    and name HG2%)
      2.800     0.400     0.400 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.51609E-02 ppm1      1.914 ppm2      0.823 CV     1
 ASSI { 2206}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HG3 ))
      3.300     0.500     0.500 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.21371E-02 ppm1      1.920 ppm2      1.471 CV     1
 ASSI { 2207}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 23   and name HG2%)
      3.300     0.500     0.500 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.14852E-02 ppm1      1.904 ppm2      0.630 CV     1
 OR { 2207}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 2208}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.500     0.300     0.300 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.54280E-02 ppm1      1.899 ppm2      4.699 CV     1
 OR { 2208}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2209}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
      5.300     1.400     0.700 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.12771E-03 ppm1      1.896 ppm2      2.336 CV     1
 OR { 2209}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 2210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HG2 ))
      1.900     0.200     0.300 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.21422E-01 ppm1      1.896 ppm2      1.747 CV     1
 OR { 2210}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG2 ))
 ASSI { 2211}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
      4.200     4.200     1.800 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.58746E-03 ppm1      1.867 ppm2      0.880 CV     1
 ASSI { 2213}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
      3.600     3.600     2.400 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.10570E-02 ppm1      1.873 ppm2      0.818 CV     1
 ASSI { 2214}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 34   and name HD2%)
      3.200     0.500     0.500 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.20584E-02 ppm1      1.871 ppm2      0.757 CV     1
 ASSI { 2215}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 34   and name HD1%)
      3.100     0.500     0.500 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.60955E-02 ppm1      1.868 ppm2      0.710 CV     1
 ASSI { 2218}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
      1.600     0.100     0.600 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.37384E-01 ppm1      1.855 ppm2      1.736 CV     1
 ASSI { 2220}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HG3 ))
      2.900     2.900     3.100 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.24810E-02 ppm1      1.863 ppm2      1.396 CV     1
 OR { 2220}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI { 2221}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      4.800     1.100     1.100 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.65190E-03 ppm1      1.849 ppm2      4.852 CV     1
 ASSI { 2222}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     0.400     0.400 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.17697E-02 ppm1      1.854 ppm2      4.486 CV     1
 ASSI { 2223}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      1.800     0.200     0.400 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.17034E-01 ppm1      1.854 ppm2      2.061 CV     1
 ASSI { 2224}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.200     0.200     0.200 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.99950E-02 ppm1      1.845 ppm2      2.346 CV     1
 OR { 2224}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2225}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG2 ))
      2.500     0.300     0.300 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.59344E-02 ppm1      1.853 ppm2      1.468 CV     1
 OR { 2225}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI { 2227}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 9    and name HG1%)
      3.100     0.500     0.500 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.27882E-02 ppm1      1.828 ppm2      1.052 CV     1
 OR { 2227}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 9    and name HG1%)
 ASSI { 2228}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 9    and name HG2%)
      3.100     0.500     0.500 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.19843E-02 ppm1      1.835 ppm2      0.825 CV     1
 OR { 2228}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 9    and name HG2%)
 ASSI { 2232}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 22   and name HG2 ))
      6.000     1.900     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.14682E-03 ppm1      1.838 ppm2      2.660 CV     1
 ASSI { 2234}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      4.700     1.100     1.100 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.53590E-03 ppm1      1.827 ppm2      4.628 CV     1
 OR { 2234}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 2235}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG3 ))
      2.400     2.400     3.600 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.66849E-02 ppm1      1.824 ppm2      1.345 CV     1
 ASSI { 2237}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      2.600     2.600     3.400 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.35504E-02 ppm1      1.827 ppm2      0.396 CV     1
 OR { 2237}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 2239}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      4.800     1.100     1.100 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.51978E-03 ppm1      2.202 ppm2      4.731 CV     1
 ASSI { 2240}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.400     0.400 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.32628E-02 ppm1      1.817 ppm2      4.395 CV     1
 ASSI { 2241}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB3 ))
      1.700     0.100     0.500 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.24685E-01 ppm1      1.813 ppm2      1.701 CV     1
 ASSI { 2242}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     0.500     0.500 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.15317E-02 ppm1      1.813 ppm2      5.007 CV     1
 ASSI { 2243}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
      2.600     2.600     3.400 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.53726E-02 ppm1      1.809 ppm2      2.249 CV     1
 OR { 2243}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 2244}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG2%)
      2.300     0.300     0.300 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.82776E-02 ppm1      1.808 ppm2      0.910 CV     1
 ASSI { 2245}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HD1%)
      2.800     0.400     0.400 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.63532E-02 ppm1      1.808 ppm2      0.876 CV     1
 ASSI { 2248}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.300     0.300 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.38677E-02 ppm1      1.799 ppm2      4.565 CV     1
 OR { 2248}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 2250}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HG3 ))
      2.400     0.300     0.300 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.72419E-02 ppm1      1.791 ppm2      1.470 CV     1
 OR { 2250}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 2251}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      2.900     0.400     0.400 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.23028E-02 ppm1      1.793 ppm2      0.780 CV     1
 ASSI { 2252}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.400     0.400 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.30289E-02 ppm1      1.788 ppm2      4.793 CV     1
 ASSI { 2255}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HA  ))
      2.800     0.400     0.400 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.28308E-02 ppm1      1.782 ppm2      4.258 CV     1
 ASSI { 2257}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      3.600     0.600     0.600 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      1.785 ppm2      0.820 CV     1
 ASSI { 2258}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 53   and name HG2%)
      2.100     0.200     0.200 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.12559E-01 ppm1      1.786 ppm2      0.707 CV     1
 ASSI { 2260}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.300     0.300 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.75917E-02 ppm1      1.761 ppm2      4.853 CV     1
 OR { 2260}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 2261}
   (( segid "    " and resid 60   and name HD2 ))
   (  segid "    " and resid 33   and name HD1%)
      3.200     0.500     0.500 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.85586E-03 ppm1      1.747 ppm2      0.396 CV     1
 ASSI { 2262}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     0.600     0.600 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.12918E-02 ppm1      1.747 ppm2      4.699 CV     1
 ASSI { 2263}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     0.400     0.400 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.16744E-02 ppm1      1.747 ppm2      4.487 CV     1
 ASSI { 2265}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
      4.000     0.800     0.800 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.41353E-03 ppm1      1.733 ppm2      5.454 CV     1
 ASSI { 2266}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.300     0.300 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.33250E-02 ppm1      1.745 ppm2      4.549 CV     1
 ASSI { 2267}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.700     0.700     0.700 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      1.741 ppm2      3.924 CV     1
 OR { 2267}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 51   and name HA1 ))
 ASSI { 2270}
   (( segid "    " and resid 60   and name HD2 ))
   (  segid "    " and resid 9    and name HG1%)
      2.600     0.300     0.300 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.27835E-02 ppm1      1.745 ppm2      1.051 CV     1
 ASSI { 2271}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
      3.600     0.600     0.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11353E-02 ppm1      1.745 ppm2      0.974 CV     1
 ASSI { 2272}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG1%)
      2.200     0.200     0.200 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.10520E-01 ppm1      1.745 ppm2      0.707 CV     1
 ASSI { 2273}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG2%)
      2.200     0.200     0.200 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.89315E-02 ppm1      1.746 ppm2      0.635 CV     1
 ASSI { 2274}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.300     0.300 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.57271E-02 ppm1      1.737 ppm2      4.887 CV     1
 OR { 2274}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2275}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     0.700     0.700 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      1.730 ppm2      4.427 CV     1
 OR { 2275}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2276}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
      1.400     0.100     0.800 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.45164E-01 ppm1      1.735 ppm2      1.396 CV     1
 ASSI { 2278}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HE3 ))
      3.000     3.000     3.000 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.18503E-02 ppm1      1.723 ppm2      3.060 CV     1
 OR { 2278}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HE2 ))
 OR { 2278}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HE2 ))
 OR { 2278}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HE3 ))
 ASSI { 2279}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HB2 ))
      2.600     0.300     0.300 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.47373E-02 ppm1      1.733 ppm2      2.023 CV     1
 OR { 2279}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 2280}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG2 ))
      2.100     0.200     0.200 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.17357E-01 ppm1      1.732 ppm2      1.469 CV     1
 OR { 2280}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG3 ))
 OR { 2280}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR { 2280}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI { 2281}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.400     0.400 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.17978E-02 ppm1      1.728 ppm2      5.131 CV     1
 ASSI { 2285}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
      2.600     0.300     0.300 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.46867E-02 ppm1      1.728 ppm2      1.271 CV     1
 ASSI { 2288}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.500     1.000     1.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.57686E-03 ppm1      1.727 ppm2      5.234 CV     1
 ASSI { 2290}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
      2.100     0.200     0.200 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.86321E-02 ppm1      1.727 ppm2      0.873 CV     1
 ASSI { 2291}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HA  ))
      5.300     1.400     0.700 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.27371E-03 ppm1      1.716 ppm2      4.258 CV     1
 OR { 2291}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 2293}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 53   and name HG1%)
      2.000     0.200     0.200 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.15124E-01 ppm1      1.796 ppm2      1.133 CV     1
 ASSI { 2296}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      3.300     3.300     2.700 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.15285E-02 ppm1      1.696 ppm2      4.391 CV     1
 ASSI { 2297}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 25   and name HG2 ))
      4.000     0.800     0.800 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.83836E-03 ppm1      1.674 ppm2      2.735 CV     1
 ASSI { 2298}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 60   and name HG2 ))
      2.100     2.100     3.900 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.14834E-01 ppm1      1.685 ppm2      1.392 CV     1
 OR { 2298}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI { 2299}
   (( segid "    " and resid 8    and name HG  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.000     2.000     4.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.19727E-01 ppm1      1.686 ppm2      1.356 CV     1
 OR { 2299}
   (( segid "    " and resid 8    and name HG  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 2301}
   (( segid "    " and resid 6    and name HD2 ))
   (  segid "    " and resid 32   and name HG2%)
      2.000     0.200     0.200 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.17103E-01 ppm1      1.682 ppm2      1.148 CV     1
 OR { 2301}
   (( segid "    " and resid 6    and name HD3 ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI { 2302}
   (( segid "    " and resid 60   and name HD3 ))
   (  segid "    " and resid 33   and name HD1%)
      4.100     0.900     0.900 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.36251E-03 ppm1      1.682 ppm2      0.397 CV     1
 ASSI { 2303}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 30   and name HA  ))
      3.600     3.600     2.400 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.10644E-02 ppm1      1.674 ppm2      5.007 CV     1
 ASSI { 2307}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      4.800     1.200     1.200 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.33097E-03 ppm1      1.675 ppm2      5.551 CV     1
 ASSI { 2308}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.300     0.300 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.54324E-02 ppm1      1.674 ppm2      4.619 CV     1
 ASSI { 2314}
   (( segid "    " and resid 49   and name HG3 ))
   (  segid "    " and resid 23   and name HG1%)
      3.800     0.700     0.700 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      1.674 ppm2      0.710 CV     1
 ASSI { 2315}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      4.000     0.800     0.800 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.13208E-02 ppm1      1.672 ppm2      5.131 CV     1
 ASSI { 2316}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     0.400     0.400 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      1.672 ppm2      4.697 CV     1
 ASSI { 2317}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HD3 ))
      2.400     0.300     0.300 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.53403E-02 ppm1      1.673 ppm2      3.302 CV     1
 OR { 2317}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HD2 ))
 ASSI { 2322}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
      5.000     1.300     1.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.13904E-03 ppm1      1.670 ppm2      3.929 CV     1
 ASSI { 2324}
   (( segid "    " and resid 60   and name HD3 ))
   (  segid "    " and resid 9    and name HG1%)
      3.500     0.600     0.600 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.20584E-02 ppm1      1.670 ppm2      1.052 CV     1
 ASSI { 2326}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.300     0.300 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.43013E-02 ppm1      1.666 ppm2      4.892 CV     1
 OR { 2326}
   (( segid "    " and resid 26   and name HD3 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2327}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     0.400     0.400 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.20008E-02 ppm1      1.645 ppm2      4.467 CV     1
 ASSI { 2328}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 10   and name HG  ))
      3.000     3.000     3.000 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.33250E-02 ppm1      1.667 ppm2      1.279 CV     1
 ASSI { 2332}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.000     0.200     0.200 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.97555E-02 ppm1      1.645 ppm2      1.398 CV     1
 ASSI { 2333}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     0.500     0.500 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.16040E-02 ppm1      1.645 ppm2      5.233 CV     1
 ASSI { 2334}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 59   and name HE3 ))
      2.200     2.200     3.800 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.23056E-02 ppm1      1.645 ppm2      2.982 CV     1
 OR { 2334}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 59   and name HE2 ))
 ASSI { 2337}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 61   and name HD2%)
      2.000     0.200     0.200 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.16859E-01 ppm1      1.642 ppm2      0.881 CV     1
 ASSI { 2340}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.400     0.400 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.57549E-02 ppm1      1.630 ppm2      5.014 CV     1
 ASSI { 2344}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      1.700     0.100     0.500 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.22674E-01 ppm1      1.632 ppm2      1.477 CV     1
 ASSI { 2345}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.100     0.200     0.200 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.13208E-01 ppm1      1.615 ppm2      1.124 CV     1
 OR { 2345}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HG3 ))
 OR { 2345}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HG2 ))
 OR { 2345}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI { 2346}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.400     0.400 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.20390E-02 ppm1      1.627 ppm2      4.527 CV     1
 ASSI { 2351}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 34   and name HB3 ))
      3.700     0.700     0.700 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.44196E-02 ppm1      1.617 ppm2      1.204 CV     1
 ASSI { 2353}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG3 ))
      2.900     0.400     0.400 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.12375E-02 ppm1      1.625 ppm2      0.414 CV     1
 ASSI { 2357}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     3.000     3.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.33281E-02 ppm1      1.599 ppm2      5.014 CV     1
 ASSI { 2358}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 26   and name HA  ))
      4.600     1.100     1.100 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.33975E-03 ppm1      1.603 ppm2      4.891 CV     1
 OR { 2358}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2359}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     0.600     0.600 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.19322E-02 ppm1      1.602 ppm2      3.298 CV     1
 OR { 2359}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 2361}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 31   and name HD2%)
      2.300     0.300     0.300 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.68504E-02 ppm1      1.597 ppm2      0.919 CV     1
 ASSI { 2363}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HG3 ))
      1.700     0.100     0.500 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.28921E-01 ppm1      1.597 ppm2      1.479 CV     1
 ASSI { 2366}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 46   and name HG2%)
      4.400     1.000     1.000 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.85678E-03 ppm1      1.595 ppm2      0.973 CV     1
 ASSI { 2369}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     0.600     0.600 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.10303E-02 ppm1      1.445 ppm2      4.409 CV     1
 ASSI { 2370}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.900     0.800     0.800 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.55062E-03 ppm1      1.564 ppm2      5.233 CV     1
 OR { 2370}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 2372}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
      2.200     0.200     0.200 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.95114E-02 ppm1      1.563 ppm2      0.878 CV     1
 OR { 2372}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 2373}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.300     0.300 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.44639E-02 ppm1      1.562 ppm2      4.463 CV     1
 OR { 2373}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2374}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      4.700     1.100     1.100 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.17904E-03 ppm1      1.561 ppm2      2.980 CV     1
 OR { 2374}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2374}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR { 2374}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI { 2377}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     0.400     0.400 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.15464E-02 ppm1      1.480 ppm2      4.625 CV     1
 OR { 2377}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2379}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     3.000     3.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.14567E-02 ppm1      1.468 ppm2      2.018 CV     1
 ASSI { 2381}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.400     0.400 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.21624E-02 ppm1      1.472 ppm2      5.014 CV     1
 ASSI { 2383}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD2%)
      2.500     0.300     0.300 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.42830E-02 ppm1      1.472 ppm2      0.921 CV     1
 ASSI { 2384}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
      2.400     0.300     0.300 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.54372E-02 ppm1      1.471 ppm2      0.884 CV     1
 ASSI { 2385}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 9    and name HG2%)
      3.200     0.500     0.500 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.63626E-02 ppm1      1.471 ppm2      0.825 CV     1
 ASSI { 2386}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     0.500     0.500 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.14594E-02 ppm1      1.468 ppm2      4.430 CV     1
 ASSI { 2387}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.200     0.500     0.500 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.20957E-02 ppm1      1.465 ppm2      4.853 CV     1
 ASSI { 2391}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HA  ))
      3.700     0.700     0.700 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.96773E-03 ppm1      1.463 ppm2      4.259 CV     1
 OR { 2391}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 2393}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 12   and name HD2%)
      4.200     0.900     0.900 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.91202E-03 ppm1      1.455 ppm2      0.650 CV     1
 ASSI { 2394}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.300     0.300 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.11772E-01 ppm1      1.451 ppm2      4.536 CV     1
 ASSI { 2395}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.400     3.400     2.600 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.13388E-02 ppm1      1.150 ppm2      2.030 CV     1
 ASSI { 2402}
   (( segid "    " and resid 26   and name HG3 ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     0.400     0.400 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.25929E-02 ppm1      1.434 ppm2      4.891 CV     1
 OR { 2402}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2404}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB3 ))
      1.700     0.100     0.500 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.18489E-01 ppm1      1.444 ppm2      1.204 CV     1
 ASSI { 2405}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.900     0.400     0.400 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      1.446 ppm2      1.058 CV     1
 ASSI { 2406}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD1%)
      2.200     0.200     0.200 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.91664E-02 ppm1      1.445 ppm2      0.711 CV     1
 ASSI { 2407}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 43   and name HG3 ))
      5.800     1.700     0.200 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.15110E-03 ppm1      1.447 ppm2      0.414 CV     1
 ASSI { 2408}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD2%)
      2.200     0.200     0.200 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.98615E-02 ppm1      1.444 ppm2      0.754 CV     1
 ASSI { 2410}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
      4.100     0.800     0.800 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.61968E-03 ppm1      1.407 ppm2      4.393 CV     1
 ASSI { 2411}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     0.400     0.400 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.26881E-02 ppm1      1.398 ppm2      5.131 CV     1
 ASSI { 2413}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 61   and name HD2%)
      2.300     0.300     0.300 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.11597E-01 ppm1      1.397 ppm2      0.873 CV     1
 ASSI { 2414}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      4.600     1.100     1.100 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.38745E-03 ppm1      1.395 ppm2      5.232 CV     1
 ASSI { 2418}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HG  ))
      1.900     1.900     4.100 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.17656E-01 ppm1      1.397 ppm2      1.275 CV     1
 ASSI { 2419}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 10   and name HD2%)
      2.300     0.300     0.300 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.70669E-02 ppm1      1.397 ppm2      0.827 CV     1
 ASSI { 2420}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.700     0.400     0.400 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.52162E-02 ppm1      1.395 ppm2      0.770 CV     1
 ASSI { 2421}
   (( segid "    " and resid 60   and name HG2 ))
   (  segid "    " and resid 33   and name HD1%)
      3.900     0.700     0.700 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.92262E-03 ppm1      1.388 ppm2      0.397 CV     1
 OR { 2421}
   (( segid "    " and resid 60   and name HG3 ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 2422}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     0.400     0.400 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.25326E-02 ppm1      1.390 ppm2      4.484 CV     1
 OR { 2422}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2423}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 58   and name HB  ))
      4.900     1.200     1.100 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.29286E-03 ppm1      1.390 ppm2      1.915 CV     1
 ASSI { 2427}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     0.500     0.500 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.13618E-02 ppm1      1.386 ppm2      4.852 CV     1
 ASSI { 2428}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     0.800     0.800 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.90189E-03 ppm1      1.385 ppm2      4.619 CV     1
 ASSI { 2429}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     0.500     0.500 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.19028E-02 ppm1      1.599 ppm2      4.428 CV     1
 ASSI { 2432}
   (( segid "    " and resid 12   and name HG  ))
   (  segid "    " and resid 12   and name HD1%)
      2.300     0.300     0.300 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.67308E-02 ppm1      1.387 ppm2      0.714 CV     1
 ASSI { 2433}
   (( segid "    " and resid 12   and name HG  ))
   (  segid "    " and resid 12   and name HD2%)
      2.300     0.300     0.300 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.69748E-02 ppm1      1.386 ppm2      0.650 CV     1
 ASSI { 2436}
   (( segid "    " and resid 43   and name HD3 ))
   (( segid "    " and resid 43   and name HA  ))
      3.900     0.800     0.800 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.12177E-02 ppm1      1.336 ppm2      4.533 CV     1
 OR { 2436}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 2437}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
      2.600     0.400     0.400 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.39791E-02 ppm1      1.353 ppm2      1.566 CV     1
 OR { 2437}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR { 2437}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR { 2437}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI { 2439}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HE2 ))
      4.500     1.000     1.000 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.21606E-03 ppm1      1.350 ppm2      2.971 CV     1
 OR { 2439}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HE3 ))
 ASSI { 2440}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HD3 ))
      2.000     0.200     0.200 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.21841E-01 ppm1      1.345 ppm2      1.682 CV     1
 OR { 2440}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HD2 ))
 ASSI { 2441}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 30   and name HG2%)
      2.300     0.300     0.300 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.11638E-01 ppm1      1.352 ppm2      0.908 CV     1
 OR { 2441}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 30   and name HG2%)
 ASSI { 2442}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HD1%)
      2.400     0.300     0.300 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.80937E-02 ppm1      1.352 ppm2      0.852 CV     1
 OR { 2442}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HD1%)
 ASSI { 2444}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      2.900     2.900     3.100 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.24198E-02 ppm1      1.337 ppm2      5.033 CV     1
 ASSI { 2445}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      3.800     0.700     0.700 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.50045E-03 ppm1      1.337 ppm2      4.907 CV     1
 ASSI { 2446}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.400     0.400 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.27691E-02 ppm1      1.335 ppm2      4.566 CV     1
 ASSI { 2448}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 16   and name HG2 ))
      4.200     0.900     0.900 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.28037E-03 ppm1      1.335 ppm2      2.300 CV     1
 ASSI { 2451}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 46   and name HG2%)
      4.400     4.400     1.600 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.33175E-03 ppm1      1.335 ppm2      0.973 CV     1
 ASSI { 2452}
   (( segid "    " and resid 43   and name HD2 ))
   (  segid "    " and resid 34   and name HD1%)
      2.800     0.400     0.400 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.38957E-02 ppm1      1.334 ppm2      0.708 CV     1
 OR { 2452}
   (( segid "    " and resid 43   and name HD3 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 2453}
   (( segid "    " and resid 43   and name HD3 ))
   (( segid "    " and resid 43   and name HG3 ))
      2.800     0.400     0.400 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.25303E-02 ppm1      1.333 ppm2      0.415 CV     1
 OR { 2453}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI { 2454}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 55   and name HB% )
      4.000     0.800     0.800 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.13112E-02 ppm1      1.333 ppm2     -0.065 CV     1
 ASSI { 2457}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.400     0.300     0.300 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.59160E-02 ppm1      1.333 ppm2      1.065 CV     1
 OR { 2457}
   (( segid "    " and resid 43   and name HD3 ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 2458}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
      4.000     0.800     0.800 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.34819E-03 ppm1      1.322 ppm2      2.826 CV     1
 ASSI { 2459}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 35   and name HB3 ))
      4.100     0.900     0.900 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.61323E-03 ppm1      1.328 ppm2      2.693 CV     1
 ASSI { 2461}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      4.500     1.000     1.000 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.21247E-03 ppm1      1.321 ppm2      4.854 CV     1
 ASSI { 2462}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      4.600     1.100     1.100 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.64316E-03 ppm1      1.326 ppm2      4.776 CV     1
 ASSI { 2466}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HD3 ))
      4.100     0.800     0.800 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.23208E-03 ppm1      1.325 ppm2      2.474 CV     1
 ASSI { 2467}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 56   and name HB% )
      2.800     0.400     0.400 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.84574E-02 ppm1      1.326 ppm2      1.203 CV     1
 ASSI { 2468}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HB2 ))
      1.800     0.200     0.400 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.17674E-01 ppm1      1.325 ppm2      0.798 CV     1
 ASSI { 2472}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.300     0.300     0.300 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.42208E-02 ppm1      1.285 ppm2      1.065 CV     1
 ASSI { 2473}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.200     0.500     0.500 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.18263E-02 ppm1      1.284 ppm2      0.415 CV     1
 ASSI { 2474}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     0.500     0.500 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.15948E-02 ppm1      1.282 ppm2      4.528 CV     1
 ASSI { 2476}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
      1.700     0.100     0.500 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.14083E-01 ppm1      1.281 ppm2      1.621 CV     1
 ASSI { 2477}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.000     0.200     0.200 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.56765E-02 ppm1      1.281 ppm2      1.447 CV     1
 OR { 2477}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 34   and name HG  ))
 ASSI { 2478}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 34   and name HB3 ))
      2.500     0.300     0.300 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.10308E-01 ppm1      1.282 ppm2      1.204 CV     1
 ASSI { 2479}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 12   and name HD1%)
      4.000     0.800     0.800 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.15230E-02 ppm1      1.273 ppm2      0.716 CV     1
 ASSI { 2480}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      2.300     0.300     0.300 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.70577E-02 ppm1      1.275 ppm2      0.827 CV     1
 ASSI { 2481}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     0.600     0.600 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.93091E-03 ppm1      1.271 ppm2      5.131 CV     1
 ASSI { 2484}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
      2.300     0.300     0.300 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.77069E-02 ppm1      1.272 ppm2      0.868 CV     1
 ASSI { 2485}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 12   and name HA  ))
      4.400     1.000     1.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.26273E-03 ppm1      1.266 ppm2      3.930 CV     1
 ASSI { 2486}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 12   and name HD2%)
      2.900     2.900     3.100 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.15354E-02 ppm1      1.269 ppm2      0.650 CV     1
 ASSI { 2487}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     0.700     0.700 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.67263E-03 ppm1      1.206 ppm2      4.621 CV     1
 ASSI { 2488}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG  ))
      2.400     0.300     0.300 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.51700E-02 ppm1      1.213 ppm2      1.394 CV     1
 ASSI { 2493}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      5.000     1.200     1.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.16753E-03 ppm1      1.206 ppm2      5.548 CV     1
 ASSI { 2495}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HB3 ))
      5.100     1.300     0.900 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.21592E-03 ppm1      1.198 ppm2      2.689 CV     1
 ASSI { 2498}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
      1.900     0.200     0.300 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.13982E-01 ppm1      1.206 ppm2      0.758 CV     1
 ASSI { 2499}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HD1%)
      2.100     0.200     0.200 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.12352E-01 ppm1      1.203 ppm2      0.712 CV     1
 ASSI { 2500}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HD2%)
      3.400     0.600     0.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.25868E-02 ppm1      1.206 ppm2      0.651 CV     1
 ASSI { 2501}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
      4.700     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.43042E-03 ppm1      1.201 ppm2      5.412 CV     1
 ASSI { 2502}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.800     0.400     0.400 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.20303E-02 ppm1      1.203 ppm2      4.541 CV     1
 ASSI { 2503}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.300     0.300 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.52897E-02 ppm1      1.065 ppm2      4.525 CV     1
 ASSI { 2506}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.900     2.900     3.100 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.43746E-02 ppm1      1.201 ppm2      1.057 CV     1
 ASSI { 2512}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 34   and name HG  ))
      2.700     0.400     0.400 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.30058E-02 ppm1      1.156 ppm2      1.445 CV     1
 ASSI { 2514}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HA  ))
      3.200     0.500     0.500 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.16238E-02 ppm1      1.147 ppm2      5.005 CV     1
 OR { 2514}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 2515}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      2.800     0.400     0.400 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.29620E-02 ppm1      1.153 ppm2      4.629 CV     1
 ASSI { 2516}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      3.700     0.700     0.700 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.78772E-03 ppm1      1.154 ppm2      4.540 CV     1
 ASSI { 2517}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.300     0.300 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.44408E-02 ppm1      1.154 ppm2      4.410 CV     1
 ASSI { 2519}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 5    and name HA1 ))
      3.200     3.200     2.800 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.21588E-03 ppm1      1.154 ppm2      3.972 CV     1
 OR { 2519}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 5    and name HA2 ))
 ASSI { 2522}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HB3 ))
      1.900     0.200     0.300 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.22964E-01 ppm1      1.152 ppm2      1.825 CV     1
 OR { 2522}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 2523}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 6    and name HG3 ))
      3.800     0.700     0.700 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.70530E-03 ppm1      1.153 ppm2      1.337 CV     1
 ASSI { 2524}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 9    and name HG1%)
      2.200     2.200     3.800 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.76471E-02 ppm1      1.153 ppm2      1.053 CV     1
 ASSI { 2527}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 34   and name HD2%)
      2.400     0.300     0.300 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.77804E-02 ppm1      1.151 ppm2      0.757 CV     1
 ASSI { 2528}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      2.200     0.200     0.200 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.93044E-02 ppm1      1.153 ppm2      0.396 CV     1
 ASSI { 2529}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      2.000     0.200     0.200 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.14106E-01 ppm1      1.152 ppm2      0.713 CV     1
 ASSI { 2532}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 6    and name HG2 ))
      3.300     0.500     0.500 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      1.154 ppm2      1.415 CV     1
 ASSI { 2534}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 44   and name HB  ))
      5.000     1.200     1.000 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.30496E-03 ppm1      1.128 ppm2      2.143 CV     1
 ASSI { 2536}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 52   and name HA  ))
      4.600     1.000     1.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.17159E-03 ppm1      1.129 ppm2      5.657 CV     1
 ASSI { 2537}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     2.900     3.100 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.22126E-02 ppm1      1.128 ppm2      4.793 CV     1
 ASSI { 2538}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
      3.100     3.100     2.900 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.30386E-03 ppm1      1.128 ppm2      4.539 CV     1
 ASSI { 2539}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 28   and name HA1 ))
      4.700     1.100     1.100 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.23640E-03 ppm1      1.123 ppm2      4.483 CV     1
 OR { 2539}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 28   and name HA1 ))
 ASSI { 2540}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 25   and name HG2 ))
      3.600     0.600     0.600 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.44036E-03 ppm1      1.129 ppm2      2.742 CV     1
 ASSI { 2544}
   (  segid "    " and resid 53   and name HG1%)
   (  segid "    " and resid 44   and name HG2%)
      2.300     0.300     0.300 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.66985E-02 ppm1      1.129 ppm2      0.816 CV     1
 ASSI { 2545}
   (  segid "    " and resid 53   and name HG1%)
   (  segid "    " and resid 53   and name HG2%)
      2.100     0.200     0.200 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.13452E-01 ppm1      1.129 ppm2      0.707 CV     1
 ASSI { 2546}
   (  segid "    " and resid 53   and name HG1%)
   (  segid "    " and resid 23   and name HG2%)
      2.800     0.400     0.400 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.27486E-02 ppm1      1.128 ppm2      0.630 CV     1
 ASSI { 2550}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 13   and name HA  ))
      3.400     0.600     0.600 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.12458E-02 ppm1      1.120 ppm2      4.625 CV     1
 OR { 2550}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2552}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 6    and name HE3 ))
      3.900     3.900     2.100 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.43737E-03 ppm1      1.149 ppm2      2.970 CV     1
 OR { 2552}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 6    and name HE2 ))
 ASSI { 2554}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.300     0.300     0.300 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.75180E-02 ppm1      1.116 ppm2      1.484 CV     1
 OR { 2554}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 2554}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB3 ))
 OR { 2554}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2556}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 26   and name HG3 ))
      2.400     2.400     3.600 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.12601E-02 ppm1      1.050 ppm2      1.446 CV     1
 OR { 2556}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 26   and name HG2 ))
 ASSI { 2558}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      5.400     1.500     0.600 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.17499E-03 ppm1      1.051 ppm2      5.552 CV     1
 ASSI { 2559}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
      4.200     0.900     0.900 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.43689E-03 ppm1      1.052 ppm2      5.415 CV     1
 ASSI { 2560}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      4.100     0.800     0.800 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.43280E-03 ppm1      1.051 ppm2      5.014 CV     1
 ASSI { 2561}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 25   and name HA  ))
      4.700     4.700     1.300 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.13540E-03 ppm1      1.052 ppm2      4.904 CV     1
 ASSI { 2562}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
      5.300     1.400     0.700 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.14686E-03 ppm1      1.049 ppm2      4.623 CV     1
 ASSI { 2563}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.200     0.200 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.85907E-02 ppm1      1.049 ppm2      4.495 CV     1
 ASSI { 2564}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      5.400     1.500     0.600 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.18600E-03 ppm1      1.049 ppm2      4.345 CV     1
 ASSI { 2565}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HB3 ))
      3.700     0.700     0.700 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.57594E-03 ppm1      1.049 ppm2      2.881 CV     1
 ASSI { 2570}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 46   and name HG2%)
      2.100     0.200     0.200 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.15322E-01 ppm1      1.049 ppm2      0.974 CV     1
 ASSI { 2571}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 31   and name HD2%)
      2.000     0.200     0.200 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.13568E-01 ppm1      1.051 ppm2      0.919 CV     1
 ASSI { 2572}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 31   and name HD1%)
      2.400     0.300     0.300 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.10087E-01 ppm1      1.051 ppm2      0.883 CV     1
 ASSI { 2573}
   (  segid "    " and resid 9    and name HG1%)
   (  segid "    " and resid 33   and name HD2%)
      2.900     0.400     0.400 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.55568E-02 ppm1      1.051 ppm2      0.710 CV     1
 ASSI { 2574}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 23   and name HG2%)
      4.000     0.800     0.800 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.10119E-02 ppm1      1.051 ppm2      0.631 CV     1
 ASSI { 2575}
   (  segid "    " and resid 9    and name HG1%)
   (  segid "    " and resid 33   and name HD1%)
      2.200     0.200     0.200 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.10179E-01 ppm1      1.051 ppm2      0.401 CV     1
 ASSI { 2576}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.300     0.300 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.32932E-02 ppm1      1.049 ppm2      5.232 CV     1
 ASSI { 2577}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
      4.600     1.100     1.100 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.40896E-03 ppm1      1.049 ppm2      4.414 CV     1
 ASSI { 2578}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 60   and name HE3 ))
      5.300     1.400     0.700 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.11726E-03 ppm1      1.049 ppm2      2.705 CV     1
 ASSI { 2582}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 60   and name HG2 ))
      3.200     0.500     0.500 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.22605E-02 ppm1      1.049 ppm2      1.390 CV     1
 OR { 2582}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 60   and name HG3 ))
 ASSI { 2583}
   (  segid "    " and resid 9    and name HG1%)
   (  segid "    " and resid 9    and name HG2%)
      2.200     0.200     0.200 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.97003E-02 ppm1      1.049 ppm2      0.824 CV     1
 ASSI { 2584}
   (  segid "    " and resid 9    and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
      2.400     0.300     0.300 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.68460E-02 ppm1      1.049 ppm2      0.779 CV     1
 ASSI { 2585}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      4.900     1.200     1.100 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.11804E-03 ppm1      1.048 ppm2      4.851 CV     1
 ASSI { 2587}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      4.400     1.000     1.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.30942E-03 ppm1      0.970 ppm2      4.906 CV     1
 ASSI { 2588}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      3.100     0.500     0.500 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.16353E-02 ppm1      0.970 ppm2      4.505 CV     1
 ASSI { 2590}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 25   and name HB3 ))
      3.100     3.100     2.900 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      0.970 ppm2      1.918 CV     1
 ASSI { 2592}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 53   and name HG1%)
      3.400     0.600     0.600 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.15800E-02 ppm1      0.970 ppm2      1.129 CV     1
 ASSI { 2594}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.000     0.200     0.200 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.17260E-01 ppm1      0.969 ppm2      0.885 CV     1
 ASSI { 2595}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
      2.700     0.400     0.400 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.33266E-02 ppm1      0.969 ppm2      0.819 CV     1
 ASSI { 2596}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 23   and name HG1%)
      2.700     0.400     0.400 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.49861E-02 ppm1      0.973 ppm2      0.704 CV     1
 ASSI { 2597}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 23   and name HG2%)
      2.900     2.900     3.100 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.17007E-02 ppm1      0.970 ppm2      0.630 CV     1
 ASSI { 2598}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      4.500     4.500     1.500 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.24758E-03 ppm1      0.971 ppm2      5.455 CV     1
 ASSI { 2599}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      5.100     1.300     0.900 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.19714E-03 ppm1      0.969 ppm2      5.014 CV     1
 ASSI { 2609}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
      2.800     0.400     0.400 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.22628E-02 ppm1      0.922 ppm2      2.143 CV     1
 ASSI { 2613}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      5.300     1.400     0.700 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.15073E-03 ppm1      0.921 ppm2      4.907 CV     1
 ASSI { 2614}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 25   and name HE% )
      4.000     0.800     0.800 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.56350E-03 ppm1      0.919 ppm2      2.204 CV     1
 ASSI { 2616}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
      3.400     0.600     0.600 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.12389E-02 ppm1      0.915 ppm2      5.131 CV     1
 ASSI { 2617}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      2.800     2.800     3.200 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.49953E-03 ppm1      0.917 ppm2      4.621 CV     1
 ASSI { 2618}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 11   and name HB% )
      2.200     0.200     0.200 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.93091E-02 ppm1      0.916 ppm2      1.676 CV     1
 ASSI { 2620}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.300     0.300 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.58515E-02 ppm1      0.912 ppm2      5.007 CV     1
 ASSI { 2621}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HG12))
      2.800     2.800     3.200 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.31528E-02 ppm1      0.913 ppm2      1.145 CV     1
 OR { 2621}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HG13))
 ASSI { 2625}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
      3.600     3.600     2.400 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.57363E-03 ppm1      0.890 ppm2      5.232 CV     1
 ASSI { 2628}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 9    and name HB  ))
      3.800     3.800     2.200 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.80244E-04 ppm1      0.892 ppm2      2.028 CV     1
 ASSI { 2630}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      5.500     1.500     0.500 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.14875E-03 ppm1      0.886 ppm2      4.905 CV     1
 ASSI { 2634}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 46   and name HB  ))
      3.100     3.100     2.900 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.71590E-02 ppm1      0.885 ppm2      2.139 CV     1
 ASSI { 2635}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 25   and name HB3 ))
      3.200     0.500     0.500 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.11593E-02 ppm1      0.885 ppm2      1.929 CV     1
 ASSI { 2636}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
      2.100     0.200     0.200 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.98890E-02 ppm1      0.887 ppm2      1.729 CV     1
 ASSI { 2639}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 23   and name HG2%)
      2.900     0.400     0.400 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.60449E-02 ppm1      0.884 ppm2      0.636 CV     1
 ASSI { 2642}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      3.300     0.500     0.500 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.40924E-02 ppm1      0.882 ppm2      5.006 CV     1
 ASSI { 2643}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 29   and name HB2 ))
      4.500     1.000     1.000 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.30506E-03 ppm1      0.881 ppm2      2.900 CV     1
 ASSI { 2646}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      4.500     1.000     1.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.51194E-03 ppm1      1.322 ppm2      4.740 CV     1
 ASSI { 2651}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 42   and name HA  ))
      5.000     1.300     1.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.14636E-03 ppm1      0.867 ppm2      5.555 CV     1
 ASSI { 2654}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.300     0.300 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.38529E-02 ppm1      0.867 ppm2      4.412 CV     1
 ASSI { 2655}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG13))
      2.200     2.200     3.800 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.11325E-01 ppm1      0.868 ppm2      1.143 CV     1
 OR { 2655}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG12))
 ASSI { 2656}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 33   and name HD2%)
      2.000     0.200     0.200 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.18871E-01 ppm1      0.866 ppm2      0.710 CV     1
 ASSI { 2658}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.300     0.300 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.56904E-02 ppm1      0.865 ppm2      5.131 CV     1
 ASSI { 2659}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 29   and name HA  ))
      4.200     0.900     0.900 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.34482E-03 ppm1      0.874 ppm2      4.583 CV     1
 ASSI { 2661}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 28   and name HA2 ))
      3.600     0.600     0.600 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      0.864 ppm2      3.541 CV     1
 ASSI { 2662}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 42   and name HB2 ))
      3.600     0.600     0.600 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.97279E-03 ppm1      0.865 ppm2      2.998 CV     1
 ASSI { 2664}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB3 ))
      2.700     0.400     0.400 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.80751E-02 ppm1      0.866 ppm2      1.397 CV     1
 ASSI { 2671}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HG  ))
      2.300     0.300     0.300 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.81672E-02 ppm1      0.847 ppm2      1.674 CV     1
 ASSI { 2672}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 59   and name HE3 ))
      4.200     0.900     0.900 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.59803E-03 ppm1      0.825 ppm2      2.971 CV     1
 OR { 2672}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 59   and name HE2 ))
 ASSI { 2675}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      4.000     0.800     0.800 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.90189E-03 ppm1      0.825 ppm2      5.008 CV     1
 ASSI { 2676}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      4.300     0.900     0.900 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.85217E-03 ppm1      0.824 ppm2      4.485 CV     1
 ASSI { 2677}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.300     0.300 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.76009E-02 ppm1      0.824 ppm2      1.732 CV     1
 ASSI { 2679}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
      3.600     0.600     0.600 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.99903E-03 ppm1      0.822 ppm2      5.232 CV     1
 ASSI { 2680}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      4.200     0.900     0.900 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.77161E-03 ppm1      0.821 ppm2      5.131 CV     1
 ASSI { 2681}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.700     0.700     0.700 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.79231E-03 ppm1      0.820 ppm2      4.624 CV     1
 ASSI { 2682}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
      4.500     1.000     1.000 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.29507E-03 ppm1      0.819 ppm2      3.925 CV     1
 ASSI { 2685}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
      2.100     0.200     0.200 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.10267E-01 ppm1      0.821 ppm2      1.640 CV     1
 ASSI { 2689}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 12   and name HD2%)
      2.100     0.200     0.200 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.16054E-01 ppm1      0.820 ppm2      0.649 CV     1
 ASSI { 2690}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      3.400     0.600     0.600 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.22775E-02 ppm1      0.821 ppm2      0.396 CV     1
 ASSI { 2691}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      4.400     1.000     1.000 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.20957E-03 ppm1      0.815 ppm2      5.657 CV     1
 ASSI { 2693}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      3.600     0.700     0.700 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.56166E-03 ppm1      0.821 ppm2      4.411 CV     1
 ASSI { 2696}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      4.000     0.800     0.800 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.82548E-03 ppm1      0.812 ppm2      4.528 CV     1
 ASSI { 2698}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      5.000     1.300     1.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.33125E-03 ppm1      0.808 ppm2      4.792 CV     1
 ASSI { 2700}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
      5.200     1.400     0.800 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.41256E-03 ppm1      0.799 ppm2      3.054 CV     1
 ASSI { 2705}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      4.100     0.900     0.900 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.33250E-03 ppm1      0.782 ppm2      5.011 CV     1
 ASSI { 2706}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 8    and name HG  ))
      2.300     0.300     0.300 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.89499E-02 ppm1      0.781 ppm2      1.672 CV     1
 ASSI { 2708}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 32   and name HA  ))
      2.400     2.400     3.600 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.77069E-02 ppm1      0.777 ppm2      4.623 CV     1
 ASSI { 2712}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 30   and name HB  ))
      3.600     0.600     0.600 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.13070E-02 ppm1      0.780 ppm2      1.806 CV     1
 ASSI { 2713}
   (  segid "    " and resid 8    and name HD2%)
   (  segid "    " and resid 32   and name HG2%)
      3.100     0.500     0.500 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.27531E-02 ppm1      0.780 ppm2      1.150 CV     1
 ASSI { 2715}
   (  segid "    " and resid 8    and name HD2%)
   (  segid "    " and resid 30   and name HG2%)
      1.900     0.200     0.300 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.26600E-01 ppm1      0.779 ppm2      0.908 CV     1
 ASSI { 2717}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
      4.800     1.200     1.200 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.33401E-03 ppm1      0.775 ppm2      5.234 CV     1
 ASSI { 2718}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 25   and name HE% )
      2.200     0.200     0.200 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.95529E-02 ppm1      0.778 ppm2      2.204 CV     1
 ASSI { 2720}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      3.800     0.700     0.700 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.43183E-03 ppm1      0.772 ppm2      4.853 CV     1
 ASSI { 2728}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 46   and name HG2%)
      2.200     2.200     3.800 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.21192E-02 ppm1      0.772 ppm2      0.975 CV     1
 OR { 2728}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 2730}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.300     0.300 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.65652E-02 ppm1      0.750 ppm2      4.543 CV     1
 ASSI { 2731}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      4.800     1.200     1.200 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.22872E-03 ppm1      0.750 ppm2      4.411 CV     1
 ASSI { 2732}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 32   and name HB  ))
      4.700     1.100     1.100 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.22306E-03 ppm1      0.750 ppm2      4.076 CV     1
 ASSI { 2737}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.900     0.800     0.800 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.40196E-03 ppm1      0.750 ppm2      1.966 CV     1
 ASSI { 2740}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 42   and name HB2 ))
      3.400     0.600     0.600 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.31587E-02 ppm1      0.711 ppm2      3.007 CV     1
 ASSI { 2741}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 36   and name HB3 ))
      2.600     0.300     0.300 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.31636E-02 ppm1      0.712 ppm2      2.067 CV     1
 ASSI { 2742}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 33   and name HD1%)
      2.300     0.300     0.300 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.70530E-02 ppm1      0.711 ppm2      0.396 CV     1
 ASSI { 2745}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      4.400     1.000     1.000 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.49630E-03 ppm1      0.708 ppm2      4.853 CV     1
 ASSI { 2746}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      3.500     0.600     0.600 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.11938E-02 ppm1      0.707 ppm2      4.792 CV     1
 ASSI { 2750}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      4.400     1.000     1.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.11330E-02 ppm1      0.707 ppm2      1.637 CV     1
 ASSI { 2753}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 43   and name HG2 ))
      2.100     0.200     0.200 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.77161E-02 ppm1      0.708 ppm2      1.053 CV     1
 ASSI { 2756}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      5.100     1.300     0.900 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.29995E-03 ppm1      0.707 ppm2      4.619 CV     1
 ASSI { 2757}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
      2.900     0.400     0.400 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.26059E-02 ppm1      0.705 ppm2      4.546 CV     1
 ASSI { 2761}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 25   and name HG3 ))
      3.200     3.200     2.800 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.22218E-03 ppm1      0.707 ppm2      2.589 CV     1
 ASSI { 2762}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 54   and name HD3 ))
      4.900     1.200     1.100 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.41388E-03 ppm1      0.703 ppm2      2.467 CV     1
 ASSI { 2763}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 45   and name HG2 ))
      6.000     1.900     0.000 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.13213E-03 ppm1      0.707 ppm2      2.342 CV     1
 ASSI { 2774}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
      2.000     0.200     0.200 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.17453E-01 ppm1      0.706 ppm2      0.818 CV     1
 ASSI { 2775}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 55   and name HB% )
      5.600     1.600     0.400 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.73340E-04 ppm1      0.706 ppm2     -0.067 CV     1
 ASSI { 2777}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 49   and name HD2 ))
      5.300     1.400     0.700 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.11353E-03 ppm1      0.703 ppm2      3.312 CV     1
 OR { 2777}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 49   and name HD3 ))
 ASSI { 2779}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      4.900     1.200     1.100 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.41466E-03 ppm1      0.671 ppm2      4.790 CV     1
 OR { 2779}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 2783}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HB3 ))
      2.500     0.300     0.300 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.44523E-02 ppm1      0.671 ppm2      1.329 CV     1
 OR { 2783}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI { 2784}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 58   and name HG1%)
      2.600     2.600     3.400 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.12219E-01 ppm1      0.673 ppm2      0.768 CV     1
 OR { 2784}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2784}
   (( segid "    " and resid 54   and name HG3 ))
   (  segid "    " and resid 58   and name HG1%)
 OR { 2784}
   (( segid "    " and resid 54   and name HG3 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2787}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 10   and name HD1%)
      3.200     0.500     0.500 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.25644E-02 ppm1      0.651 ppm2      0.870 CV     1
 ASSI { 2788}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HB3 ))
      2.200     0.200     0.200 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.99766E-02 ppm1      0.651 ppm2      0.774 CV     1
 ASSI { 2791}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 59   and name HA  ))
      5.900     1.800     0.100 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.12670E-03 ppm1      0.647 ppm2      4.851 CV     1
 ASSI { 2792}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      6.000     1.800     0.000 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.69058E-04 ppm1      0.650 ppm2      4.619 CV     1
 ASSI { 2795}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 59   and name HE2 ))
      4.900     1.200     1.100 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.31804E-03 ppm1      0.648 ppm2      2.970 CV     1
 OR { 2795}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 59   and name HE3 ))
 ASSI { 2797}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 61   and name HG  ))
      4.100     4.100     1.900 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.94471E-03 ppm1      0.648 ppm2      1.650 CV     1
 ASSI { 2805}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      4.600     1.000     1.000 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.24497E-03 ppm1      0.627 ppm2      5.457 CV     1
 ASSI { 2806}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      3.400     0.600     0.600 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.13448E-02 ppm1      0.627 ppm2      4.549 CV     1
 ASSI { 2809}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 49   and name HG3 ))
      5.600     1.600     0.400 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.18687E-03 ppm1      0.630 ppm2      1.672 CV     1
 ASSI { 2812}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      3.700     0.700     0.700 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.19953E-02 ppm1      0.627 ppm2      0.927 CV     1
 ASSI { 2813}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
      2.700     0.400     0.400 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.32218E-02 ppm1      0.627 ppm2      0.816 CV     1
 ASSI { 2815}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     0.400     0.400 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.17587E-02 ppm1      0.410 ppm2      4.530 CV     1
 ASSI { 2822}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      4.700     1.100     1.100 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.46867E-03 ppm1      0.393 ppm2      4.412 CV     1
 ASSI { 2823}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      5.100     1.300     0.900 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.22651E-03 ppm1      0.393 ppm2      4.007 CV     1
 ASSI { 2824}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 42   and name HB2 ))
      5.900     1.700     0.100 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.97785E-04 ppm1      0.393 ppm2      3.002 CV     1
 ASSI { 2827}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HE3 ))
      3.400     0.600     0.600 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.84435E-03 ppm1      0.394 ppm2      2.715 CV     1
 ASSI { 2828}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 7    and name HG3 ))
      4.800     1.100     1.100 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.16058E-03 ppm1      0.394 ppm2      2.493 CV     1
 ASSI { 2836}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 44   and name HG1%)
      4.400     1.000     1.000 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.61323E-03 ppm1      0.394 ppm2      0.867 CV     1
 ASSI { 2840}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
      4.300     0.900     0.900 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.35127E-03 ppm1     -0.067 ppm2      5.085 CV     1
 ASSI { 2841}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      3.200     0.500     0.500 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.13807E-02 ppm1     -0.067 ppm2      4.576 CV     1
 ASSI { 2842}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      3.400     3.400     2.600 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.15952E-03 ppm1     -0.067 ppm2      4.259 CV     1
 ASSI { 2843}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 56   and name HA  ))
      4.300     0.900     0.900 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.27830E-03 ppm1     -0.067 ppm2      4.024 CV     1
 ASSI { 2849}
   (  segid "    " and resid 55   and name HB% )
   (  segid "    " and resid 56   and name HB% )
      4.500     1.000     1.000 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.29705E-03 ppm1     -0.067 ppm2      1.201 CV     1
 ASSI { 2850}
   (  segid "    " and resid 55   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
      4.200     0.900     0.900 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.59987E-03 ppm1     -0.066 ppm2      0.778 CV     1
 ASSI { 2852}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.600     0.600     0.600 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.26026E-02 ppm1      2.819 ppm2      9.335 CV     1
 ASSI { 2853}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     2.400     3.600 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.44822E-02 ppm1      2.055 ppm2      8.669 CV     1
 ASSI { 2856}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HG3 ))
      3.800     0.700     0.700 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.70808E-03 ppm1      1.934 ppm2      2.591 CV     1
 ASSI { 2860}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 42   and name HE1 ))
      3.100     0.500     0.500 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.16491E-02 ppm1      7.546 ppm2      9.307 CV     1
 ASSI { 2861}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 10   and name HA  ))
      4.600     1.000     1.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.33940E-03 ppm1      1.143 ppm2      5.132 CV     1
 OR { 2861}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 2863}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      4.000     0.800     0.800 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.73847E-03 ppm1      9.363 ppm2      1.673 CV     1
 ASSI { 2865}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.000     0.400     0.400 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.23590E-02 ppm1      8.857 ppm2      1.121 CV     1
 OR { 2865}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI { 2866}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     0.400     0.400 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.23687E-02 ppm1      8.694 ppm2      5.456 CV     1
 ASSI { 2869}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      4.700     1.100     1.100 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.31735E-03 ppm1      8.089 ppm2      4.260 CV     1
 ASSI { 2870}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.600     0.600     0.600 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.11114E-02 ppm1      7.777 ppm2      4.130 CV     1
 ASSI { 2871}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 36   and name HB3 ))
      5.300     1.400     0.700 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.17692E-03 ppm1      7.546 ppm2      2.067 CV     1
 ASSI { 2873}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.500     0.600     0.600 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.67770E-03 ppm1      7.546 ppm2      2.884 CV     1
 ASSI { 2874}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 39   and name HA  ))
      3.700     3.700     2.300 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.98061E-04 ppm1      7.546 ppm2      4.258 CV     1
 ASSI { 2876}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 23   and name HG2%)
      4.300     0.900     0.900 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.19930E-03 ppm1      7.350 ppm2      0.632 CV     1
 ASSI { 2877}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 15   and name HB2 ))
      3.400     0.600     0.600 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.10046E-02 ppm1      6.875 ppm2      3.072 CV     1
 ASSI { 2886}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 58   and name HA  ))
      4.600     1.000     1.000 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.27265E-03 ppm1      2.203 ppm2      5.548 CV     1
 ASSI { 2889}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.800     0.700     0.700 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.40568E-03 ppm1      3.914 ppm2      0.413 CV     1
 OR { 2889}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI { 2890}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 22   and name HB3 ))
      4.000     0.800     0.800 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.47927E-03 ppm1      3.652 ppm2      2.275 CV     1
 OR { 2890}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 2893}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HD1 ))
      3.300     0.600     0.600 peak  2893 spectrum    1 weight  0.10000E+01 volume  0.10704E-02 ppm1      9.333 ppm2      7.561 CV     1
 ASSI { 2898}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.600     0.700     0.700 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.75135E-03 ppm1      8.687 ppm2      2.742 CV     1
 ASSI { 2900}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.600     0.700     0.700 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.45555E-03 ppm1      8.630 ppm2      1.062 CV     1
 ASSI { 2901}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.100     3.100     2.900 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.11431E-02 ppm1      8.076 ppm2      1.853 CV     1
 ASSI { 2902}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HD3 ))
      4.700     1.100     1.100 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.30409E-03 ppm1      7.778 ppm2      3.778 CV     1
 ASSI { 2904}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      3.700     0.700     0.700 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.72236E-03 ppm1      5.559 ppm2      0.632 CV     1
 ASSI { 2905}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.000     0.200     0.200 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.63348E-02 ppm1      0.415 ppm2      1.064 CV     1
 ASSI { 2907}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.800     0.700     0.700 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.67953E-03 ppm1      8.694 ppm2      0.711 CV     1
 ASSI { 2909}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.300     0.300 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.44721E-02 ppm1      8.844 ppm2      3.298 CV     1
 ASSI { 2910}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HG3 ))
      2.800     0.400     0.400 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.24864E-02 ppm1      2.201 ppm2      2.599 CV     1
 ASSI { 2913}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 58   and name HN  ))
      5.100     1.300     0.900 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.10423E-03 ppm1      1.387 ppm2      7.450 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -14.274  -7.744  -1.705
    2   2H    MET   1          2H        MET   1 -14.579  -9.308  -1.125
    3   3H    MET   1          3H        MET   1 -15.692  -8.064  -0.834
    4    HA   MET   1           HA       MET   1 -16.388  -9.608  -2.603
    5   1HB   MET   1          2HB       MET   1 -17.070  -7.855  -4.169
    6   1HG   MET   1          2HG       MET   1 -15.073  -6.109  -2.748
    7   1HE   MET   1          1HE       MET   1 -16.772  -5.775  -6.287
    8   2HE   MET   1          2HE       MET   1 -18.075  -6.393  -5.271
    9   3HE   MET   1          3HE       MET   1 -18.159  -4.750  -5.905
   10    H    ASP   2           H        ASP   2 -13.363  -9.636  -2.445
   11    HA   ASP   2           HA       ASP   2 -12.628 -10.582  -4.963
   12   1HB   ASP   2          2HB       ASP   2 -11.226  -8.706  -5.790
   13    H    GLU   3           H        GLU   3 -11.567  -8.706  -2.170
   14    HA   GLU   3           HA       GLU   3  -9.848 -10.883  -1.376
   15   1HB   GLU   3          2HB       GLU   3  -8.597  -8.914  -2.865
   16   1HG   GLU   3          2HG       GLU   3  -7.598 -11.078  -2.184
   17    H    THR   4           H        THR   4  -8.722 -10.051   0.814
   18    HA   THR   4           HA       THR   4 -10.924  -9.296   2.499
   19    HB   THR   4           HB       THR   4  -8.165  -9.432   3.631
   20    HG1  THR   4           1HG      THR   4  -8.318 -11.152   1.994
   21   1HG2  THR   4          1HG2      THR   4  -9.355 -10.709   5.359
   22   2HG2  THR   4          2HG2      THR   4 -10.838 -10.613   4.410
   23   3HG2  THR   4          3HG2      THR   4 -10.114  -9.145   5.070
   24    H    GLY   5           H        GLY   5 -11.116  -7.102   1.395
   25   1HA   GLY   5          1HA       GLY   5 -11.059  -4.949   2.688
   26   2HA   GLY   5          2HA       GLY   5  -9.316  -5.178   2.734
   27    H    LYS   6           H        LYS   6 -10.943  -2.992   1.595
   28    HA   LYS   6           HA       LYS   6  -9.635  -2.989  -1.002
   29   1HB   LYS   6          2HB       LYS   6 -11.977  -3.517  -1.429
   30   1HG   LYS   6          2HG       LYS   6 -12.460  -1.935  -3.060
   31   1HD   LYS   6          2HD       LYS   6 -10.371  -1.435  -4.181
   32   1HE   LYS   6          2HE       LYS   6  -9.387  -3.708  -4.176
   33   1HZ   LYS   6          1HZ       LYS   6 -11.311  -3.436  -5.529
   34   2HZ   LYS   6          2HZ       LYS   6 -12.353  -3.606  -4.201
   35   3HZ   LYS   6          3HZ       LYS   6 -11.435  -4.932  -4.735
   36    H    GLU   7           H        GLU   7 -11.784  -0.528   0.106
   37    HA   GLU   7           HA       GLU   7 -11.518   1.550   0.959
   38   1HB   GLU   7          2HB       GLU   7  -9.080   0.192   1.990
   39   1HG   GLU   7          2HG       GLU   7 -11.057   1.932   3.432
   40    H    LEU   8           H        LEU   8  -8.813   0.461  -1.023
   41    HA   LEU   8           HA       LEU   8  -7.555   1.426  -2.626
   42   1HB   LEU   8          2HB       LEU   8  -9.768   3.472  -2.642
   43    HG   LEU   8           HG       LEU   8 -10.429   1.203  -3.455
   44   1HD1  LEU   8          1HD1      LEU   8 -11.551   3.188  -4.275
   45   2HD1  LEU   8          2HD1      LEU   8 -10.305   3.413  -5.504
   46   3HD1  LEU   8          3HD1      LEU   8 -11.374   2.012  -5.577
   47   1HD2  LEU   8          1HD2      LEU   8  -8.306   1.745  -5.533
   48   2HD2  LEU   8          2HD2      LEU   8  -8.308   0.437  -4.351
   49   3HD2  LEU   8          3HD2      LEU   8  -9.518   0.469  -5.633
   50    H    VAL   9           H        VAL   9  -5.659   2.326  -2.349
   51    HA   VAL   9           HA       VAL   9  -5.519   4.902  -0.947
   52    HB   VAL   9           HB       VAL   9  -3.139   4.137  -0.244
   53   1HG1  VAL   9          1HG1      VAL   9  -4.848   4.691   1.352
   54   2HG1  VAL   9          2HG1      VAL   9  -5.632   3.128   1.111
   55   3HG1  VAL   9          3HG1      VAL   9  -4.039   3.210   1.865
   56   1HG2  VAL   9          1HG2      VAL   9  -2.992   1.736   0.289
   57   2HG2  VAL   9          2HG2      VAL   9  -4.508   1.468  -0.573
   58   3HG2  VAL   9          3HG2      VAL   9  -3.086   2.032  -1.448
   59    H    LEU  10           H        LEU  10  -3.889   6.288  -1.574
   60    HA   LEU  10           HA       LEU  10  -2.952   5.804  -4.314
   61   1HB   LEU  10          2HB       LEU  10  -4.271   7.676  -4.421
   62    HG   LEU  10           HG       LEU  10  -1.553   8.754  -3.792
   63   1HD1  LEU  10          1HD1      LEU  10  -1.756   7.502  -5.851
   64   2HD1  LEU  10          2HD1      LEU  10  -3.131   8.493  -6.337
   65   3HD1  LEU  10          3HD1      LEU  10  -1.530   9.217  -6.195
   66   1HD2  LEU  10          1HD2      LEU  10  -2.340  10.918  -4.657
   67   2HD2  LEU  10          2HD2      LEU  10  -3.990  10.295  -4.662
   68   3HD2  LEU  10          3HD2      LEU  10  -3.117  10.474  -3.139
   69    H    ALA  11           H        ALA  11  -0.855   5.377  -4.531
   70    HA   ALA  11           HA       ALA  11   1.038   5.682  -2.445
   71   1HB   ALA  11          1HB       ALA  11   2.676   4.941  -4.077
   72   2HB   ALA  11          2HB       ALA  11   1.216   3.961  -4.213
   73   3HB   ALA  11          3HB       ALA  11   1.539   5.233  -5.392
   74    H    LEU  12           H        LEU  12   1.868   7.559  -1.776
   75    HA   LEU  12           HA       LEU  12   1.805   9.897  -3.502
   76   1HB   LEU  12          2HB       LEU  12   2.940   9.682  -0.711
   77    HG   LEU  12           HG       LEU  12   0.515   9.064  -0.684
   78   1HD1  LEU  12          1HD1      LEU  12   1.296  11.698   0.559
   79   2HD1  LEU  12          2HD1      LEU  12  -0.068  10.699   1.056
   80   3HD1  LEU  12          3HD1      LEU  12   1.580  10.094   1.235
   81   1HD2  LEU  12          1HD2      LEU  12  -1.122  10.813  -1.181
   82   2HD2  LEU  12          2HD2      LEU  12   0.172  11.873  -1.741
   83   3HD2  LEU  12          3HD2      LEU  12  -0.192  10.387  -2.618
   84    H    TYR  13           H        TYR  13   4.174   7.821  -1.941
   85    HA   TYR  13           HA       TYR  13   6.292   9.172  -3.477
   86   1HB   TYR  13          2HB       TYR  13   6.798   7.575  -0.967
   87    HD1  TYR  13           1HD      TYR  13   6.651   8.360   1.212
   88    HD2  TYR  13           2HD      TYR  13   5.785  11.025  -1.984
   89    HE1  TYR  13           1HE      TYR  13   5.834  10.017   2.825
   90    HE2  TYR  13           2HE      TYR  13   4.971  12.694  -0.381
   91    HH   TYR  13           HH       TYR  13   5.593  12.581   2.874
   92    H    ASP  14           H        ASP  14   8.010   7.734  -4.263
   93    HA   ASP  14           HA       ASP  14   6.898   5.169  -5.016
   94   1HB   ASP  14          2HB       ASP  14   8.937   4.976  -6.443
   95    H    TYR  15           H        TYR  15   7.598   3.219  -4.305
   96    HA   TYR  15           HA       TYR  15   9.506   3.327  -2.065
   97   1HB   TYR  15          2HB       TYR  15   7.111   3.394  -1.317
   98    HD1  TYR  15           1HD      TYR  15   9.037   3.551   0.433
   99    HD2  TYR  15           2HD      TYR  15   7.193  -0.087  -0.765
  100    HE1  TYR  15           1HE      TYR  15   9.762   2.504   2.522
  101    HE2  TYR  15           2HE      TYR  15   7.933  -1.155   1.317
  102    HH   TYR  15           HH       TYR  15   9.637  -0.878   3.039
  103    H    GLN  16           H        GLN  16  11.055   1.901  -2.237
  104    HA   GLN  16           HA       GLN  16  10.622  -0.523  -3.825
  105   1HB   GLN  16          2HB       GLN  16  12.556   0.799  -4.500
  106   1HG   GLN  16          2HG       GLN  16  14.337  -0.766  -4.388
  107   1HE2  GLN  16          1HE2      GLN  16  11.882  -2.943  -3.249
  108   2HE2  GLN  16          2HE2      GLN  16  11.407  -3.541  -4.808
  109    H    GLU  17           H        GLU  17   9.935  -2.174  -2.670
  110    HA   GLU  17           HA       GLU  17   9.960  -2.529   0.049
  111   1HB   GLU  17          2HB       GLU  17   9.568  -4.896  -0.371
  112   1HG   GLU  17          2HG       GLU  17  10.527  -4.329  -3.158
  113    H    LYS  18           H        LYS  18  11.472  -2.858   1.520
  114    HA   LYS  18           HA       LYS  18  14.176  -3.516   0.635
  115   1HB   LYS  18          2HB       LYS  18  14.994  -2.470   2.497
  116   1HG   LYS  18          2HG       LYS  18  12.612  -3.461   4.011
  117   1HD   LYS  18          2HD       LYS  18  14.878  -1.801   5.082
  118   1HE   LYS  18          2HE       LYS  18  13.788  -3.417   6.623
  119   1HZ   LYS  18          1HZ       LYS  18  11.558  -3.197   7.235
  120   2HZ   LYS  18          2HZ       LYS  18  11.517  -3.141   5.538
  121   3HZ   LYS  18          3HZ       LYS  18  11.385  -1.712   6.445
  122    H    SER  19           H        SER  19  11.499  -5.113   1.766
  123    HA   SER  19           HA       SER  19  13.081  -7.512   2.230
  124   1HB   SER  19          2HB       SER  19  11.835  -8.071   4.285
  125    HG   SER  19           HG       SER  19  10.754  -5.445   4.221
  126    HA   PRO  20           HA       PRO  20   9.986  -9.372  -0.341
  127   1HB   PRO  20          2HB       PRO  20   9.608 -11.787   0.960
  128   1HG   PRO  20          2HG       PRO  20  10.965 -11.395   2.789
  129   1HD   PRO  20          2HD       PRO  20  12.492  -9.640   2.848
  130    H    ALA  21           H        ALA  21   9.373  -8.832   3.004
  131    HA   ALA  21           HA       ALA  21   6.580  -9.595   2.871
  132   1HB   ALA  21          1HB       ALA  21   6.461  -8.778   5.175
  133   2HB   ALA  21          2HB       ALA  21   7.804  -9.900   4.961
  134   3HB   ALA  21          3HB       ALA  21   8.108  -8.166   5.047
  135    H    GLU  22           H        GLU  22   8.422  -6.978   1.943
  136    HA   GLU  22           HA       GLU  22   6.256  -5.027   2.230
  137   1HB   GLU  22          2HB       GLU  22   9.149  -4.802   1.397
  138   1HG   GLU  22          2HG       GLU  22   7.783  -3.304   3.581
  139    H    VAL  23           H        VAL  23   6.053  -3.566   0.171
  140    HA   VAL  23           HA       VAL  23   6.290  -5.260  -2.225
  141    HB   VAL  23           HB       VAL  23   4.122  -5.127  -2.757
  142   1HG1  VAL  23          1HG1      VAL  23   3.797  -3.870  -0.045
  143   2HG1  VAL  23          2HG1      VAL  23   2.520  -4.633  -0.992
  144   3HG1  VAL  23          3HG1      VAL  23   3.871  -5.597  -0.394
  145   1HG2  VAL  23          1HG2      VAL  23   2.808  -3.013  -2.688
  146   2HG2  VAL  23          2HG2      VAL  23   4.237  -2.209  -2.044
  147   3HG2  VAL  23          3HG2      VAL  23   4.282  -2.933  -3.652
  148    H    THR  24           H        THR  24   6.836  -4.285  -4.102
  149    HA   THR  24           HA       THR  24   7.972  -1.628  -3.982
  150    HB   THR  24           HB       THR  24   7.732  -3.455  -6.385
  151    HG1  THR  24           1HG      THR  24   8.915  -4.349  -4.523
  152   1HG2  THR  24          1HG2      THR  24   8.235  -1.114  -6.922
  153   2HG2  THR  24          2HG2      THR  24   9.616  -2.158  -7.256
  154   3HG2  THR  24          3HG2      THR  24   9.601  -1.152  -5.807
  155    H    MET  25           H        MET  25   6.817   0.145  -4.410
  156    HA   MET  25           HA       MET  25   4.592  -0.044  -6.315
  157   1HB   MET  25          2HB       MET  25   3.120   1.223  -4.918
  158   1HG   MET  25          2HG       MET  25   5.347   1.428  -2.901
  159   1HE   MET  25          1HE       MET  25   4.249   4.265  -1.804
  160   2HE   MET  25          2HE       MET  25   3.417   3.720  -0.349
  161   3HE   MET  25          3HE       MET  25   4.982   3.030  -0.781
  162    H    LYS  26           H        LYS  26   4.312   1.733  -7.610
  163    HA   LYS  26           HA       LYS  26   6.285   3.870  -7.257
  164   1HB   LYS  26          2HB       LYS  26   4.943   2.732  -9.676
  165   1HG   LYS  26          2HG       LYS  26   7.281   2.059  -8.985
  166   1HD   LYS  26          2HD       LYS  26   7.858   4.872  -9.919
  167   1HE   LYS  26          2HE       LYS  26   9.484   3.275 -10.803
  168   1HZ   LYS  26          1HZ       LYS  26   9.859   2.528  -7.954
  169   2HZ   LYS  26          2HZ       LYS  26  10.954   2.141  -9.187
  170   3HZ   LYS  26          3HZ       LYS  26   9.381   1.508  -9.223
  171    H    LYS  27           H        LYS  27   5.657   5.904  -6.908
  172    HA   LYS  27           HA       LYS  27   3.115   6.442  -5.941
  173   1HB   LYS  27          2HB       LYS  27   3.758   8.661  -5.649
  174   1HG   LYS  27          2HG       LYS  27   4.395   9.038  -8.085
  175   1HD   LYS  27          2HD       LYS  27   6.962   7.978  -6.974
  176   1HE   LYS  27          2HE       LYS  27   6.826   9.732  -9.399
  177   1HZ   LYS  27          1HZ       LYS  27   9.229   9.820  -9.032
  178   2HZ   LYS  27          2HZ       LYS  27   8.690   8.232  -9.282
  179   3HZ   LYS  27          3HZ       LYS  27   9.072   8.759  -7.712
  180    H    GLY  28           H        GLY  28   1.406   7.658  -6.696
  181   1HA   GLY  28          1HA       GLY  28   0.149   8.698  -8.437
  182   2HA   GLY  28          2HA       GLY  28   1.247   7.990  -9.615
  183    H    ASP  29           H        ASP  29   1.135   5.364  -8.234
  184    HA   ASP  29           HA       ASP  29  -1.121   4.320  -9.665
  185   1HB   ASP  29          2HB       ASP  29   1.020   3.087  -7.957
  186    H    ILE  30           H        ILE  30  -2.944   3.321  -8.866
  187    HA   ILE  30           HA       ILE  30  -3.677   4.005  -6.109
  188    HB   ILE  30           HB       ILE  30  -5.449   2.863  -8.276
  189   1HG1  ILE  30          2HG1      ILE  30  -4.611   4.993  -9.069
  190   1HG2  ILE  30          1HG2      ILE  30  -6.093   4.241  -5.674
  191   2HG2  ILE  30          2HG2      ILE  30  -7.276   3.745  -6.881
  192   3HG2  ILE  30          3HG2      ILE  30  -6.313   2.531  -6.041
  193   1HD1  ILE  30          1HD1      ILE  30  -4.950   7.076  -7.880
  194   2HD1  ILE  30          2HD1      ILE  30  -5.545   6.186  -6.477
  195   3HD1  ILE  30          3HD1      ILE  30  -3.868   6.004  -6.990
  196    H    LEU  31           H        LEU  31  -3.512   2.479  -4.587
  197    HA   LEU  31           HA       LEU  31  -3.234  -0.323  -5.463
  198   1HB   LEU  31          2HB       LEU  31  -2.549   0.450  -2.686
  199    HG   LEU  31           HG       LEU  31  -1.339   2.255  -3.678
  200   1HD1  LEU  31          1HD1      LEU  31   0.436  -0.136  -3.267
  201   2HD1  LEU  31          2HD1      LEU  31   0.948   1.553  -3.193
  202   3HD1  LEU  31          3HD1      LEU  31  -0.194   0.923  -2.003
  203   1HD2  LEU  31          1HD2      LEU  31  -0.200   0.268  -5.639
  204   2HD2  LEU  31          2HD2      LEU  31  -1.402   1.499  -6.026
  205   3HD2  LEU  31          3HD2      LEU  31   0.218   1.977  -5.513
  206    H    THR  32           H        THR  32  -4.155  -1.968  -4.034
  207    HA   THR  32           HA       THR  32  -6.677  -1.121  -2.849
  208    HB   THR  32           HB       THR  32  -5.524  -3.886  -3.293
  209    HG1  THR  32           1HG      THR  32  -6.510  -3.773  -5.172
  210   1HG2  THR  32          1HG2      THR  32  -8.333  -3.140  -2.440
  211   2HG2  THR  32          2HG2      THR  32  -7.078  -3.732  -1.339
  212   3HG2  THR  32          3HG2      THR  32  -7.667  -4.766  -2.642
  213    H    LEU  33           H        LEU  33  -7.014  -0.972  -0.717
  214    HA   LEU  33           HA       LEU  33  -4.755  -1.364   1.043
  215   1HB   LEU  33          2HB       LEU  33  -6.776   0.533   0.904
  216    HG   LEU  33           HG       LEU  33  -4.762   1.224   1.868
  217   1HD1  LEU  33          1HD1      LEU  33  -5.449   2.190   4.003
  218   2HD1  LEU  33          2HD1      LEU  33  -6.709   2.340   2.777
  219   3HD1  LEU  33          3HD1      LEU  33  -6.844   1.112   4.036
  220   1HD2  LEU  33          1HD2      LEU  33  -3.938  -0.878   2.717
  221   2HD2  LEU  33          2HD2      LEU  33  -3.903   0.333   4.000
  222   3HD2  LEU  33          3HD2      LEU  33  -5.175  -0.890   3.975
  223    H    LEU  34           H        LEU  34  -4.524  -3.181   2.088
  224    HA   LEU  34           HA       LEU  34  -6.786  -5.005   2.406
  225   1HB   LEU  34          2HB       LEU  34  -3.805  -5.397   2.594
  226    HG   LEU  34           HG       LEU  34  -4.581  -5.090   0.276
  227   1HD1  LEU  34          1HD1      LEU  34  -2.711  -6.591   0.803
  228   2HD1  LEU  34          2HD1      LEU  34  -3.844  -7.939   0.898
  229   3HD1  LEU  34          3HD1      LEU  34  -3.602  -7.096  -0.632
  230   1HD2  LEU  34          1HD2      LEU  34  -6.344  -7.467   0.855
  231   2HD2  LEU  34          2HD2      LEU  34  -6.878  -5.830   0.475
  232   3HD2  LEU  34          3HD2      LEU  34  -6.038  -6.791  -0.746
  233    H    ASN  35           H        ASN  35  -4.525  -3.099   4.205
  234    HA   ASN  35           HA       ASN  35  -6.002  -3.579   6.633
  235   1HB   ASN  35          2HB       ASN  35  -4.596  -5.297   7.183
  236   1HD2  ASN  35          1HD2      ASN  35  -1.946  -3.007   7.033
  237   2HD2  ASN  35          2HD2      ASN  35  -1.773  -2.841   8.745
  238    H    SER  36           H        SER  36  -6.301  -1.643   7.485
  239    HA   SER  36           HA       SER  36  -4.028   0.222   7.504
  240   1HB   SER  36          2HB       SER  36  -5.782   2.056   7.461
  241    HG   SER  36           HG       SER  36  -7.697   0.940   6.160
  242    H    THR  37           H        THR  37  -5.496  -1.821   9.353
  243    HA   THR  37           HA       THR  37  -6.221  -0.094  11.570
  244    HB   THR  37           HB       THR  37  -7.589  -2.113  11.011
  245    HG1  THR  37           1HG      THR  37  -7.228  -1.130  13.244
  246   1HG2  THR  37          1HG2      THR  37  -6.770  -4.325  11.663
  247   2HG2  THR  37          2HG2      THR  37  -5.203  -3.630  12.080
  248   3HG2  THR  37          3HG2      THR  37  -5.749  -3.626  10.403
  249    H    ASN  38           H        ASN  38  -3.434  -1.399  10.338
  250    HA   ASN  38           HA       ASN  38  -2.125  -1.752  12.915
  251   1HB   ASN  38          2HB       ASN  38  -1.564  -3.243  10.945
  252   1HD2  ASN  38          1HD2      ASN  38   1.137  -2.937  10.124
  253   2HD2  ASN  38          2HD2      ASN  38   2.127  -3.025  11.547
  254    H    LYS  39           H        LYS  39  -0.646  -0.350  13.752
  255    HA   LYS  39           HA       LYS  39  -1.040   2.385  13.071
  256   1HB   LYS  39          2HB       LYS  39   0.310   2.919  14.980
  257   1HG   LYS  39          2HG       LYS  39   1.146   0.033  15.229
  258   1HD   LYS  39          2HD       LYS  39   2.133   2.488  16.640
  259   1HE   LYS  39          2HE       LYS  39   3.328   0.954  18.032
  260   1HZ   LYS  39          1HZ       LYS  39   4.368   1.493  15.868
  261   2HZ   LYS  39          2HZ       LYS  39   3.745   0.047  15.234
  262   3HZ   LYS  39          3HZ       LYS  39   4.873   0.003  16.501
  263    H    ASP  40           H        ASP  40   1.318   0.086  12.057
  264    HA   ASP  40           HA       ASP  40   3.056   2.273  11.203
  265   1HB   ASP  40          2HB       ASP  40   4.932   0.517  11.508
  266    H    TRP  41           H        TRP  41   2.750  -1.212  10.523
  267    HA   TRP  41           HA       TRP  41   3.325  -0.608   7.724
  268   1HB   TRP  41          2HB       TRP  41   3.358  -3.169   9.315
  269    HD1  TRP  41           HD       TRP  41   5.424  -2.508  10.782
  270    HE1  TRP  41           1HE      TRP  41   7.887  -1.997  10.251
  271    HE3  TRP  41           3HE      TRP  41   5.076  -2.022   5.705
  272    HZ2  TRP  41           2HZ      TRP  41   9.469  -1.451   7.982
  273    HZ3  TRP  41           3HZ      TRP  41   7.122  -1.505   4.435
  274    HH2  TRP  41           HH       TRP  41   9.266  -1.225   5.552
  275    H    TRP  42           H        TRP  42   1.670  -0.279   6.446
  276    HA   TRP  42           HA       TRP  42  -0.878  -1.594   6.955
  277   1HB   TRP  42          2HB       TRP  42   0.010   0.528   5.011
  278    HD1  TRP  42           HD       TRP  42  -0.774   0.165   8.455
  279    HE1  TRP  42           1HE      TRP  42  -1.959   2.233   9.423
  280    HE3  TRP  42           3HE      TRP  42  -2.235   2.278   4.095
  281    HZ2  TRP  42           2HZ      TRP  42  -3.353   4.497   8.422
  282    HZ3  TRP  42           3HZ      TRP  42  -3.492   4.409   4.151
  283    HH2  TRP  42           HH       TRP  42  -4.040   5.494   6.284
  284    H    LYS  43           H        LYS  43  -1.966  -2.698   5.141
  285    HA   LYS  43           HA       LYS  43   0.005  -4.252   3.594
  286   1HB   LYS  43          2HB       LYS  43  -1.551  -5.380   5.397
  287   1HG   LYS  43          2HG       LYS  43  -1.409  -6.569   2.640
  288   1HD   LYS  43          2HD       LYS  43  -1.544  -7.867   5.364
  289   1HE   LYS  43          2HE       LYS  43  -2.030  -9.915   4.018
  290   1HZ   LYS  43          1HZ       LYS  43   0.174  -9.634   4.889
  291   2HZ   LYS  43          2HZ       LYS  43   0.622  -8.668   3.572
  292   3HZ   LYS  43          3HZ       LYS  43   0.273 -10.304   3.334
  293    H    VAL  44           H        VAL  44  -0.122  -4.059   1.448
  294    HA   VAL  44           HA       VAL  44  -2.643  -3.139   0.265
  295    HB   VAL  44           HB       VAL  44  -1.431  -1.573  -1.226
  296   1HG1  VAL  44          1HG1      VAL  44  -1.143   0.220   0.392
  297   2HG1  VAL  44          2HG1      VAL  44  -2.567  -0.744   0.780
  298   3HG1  VAL  44          3HG1      VAL  44  -1.081  -0.956   1.705
  299   1HG2  VAL  44          1HG2      VAL  44   0.785  -2.544  -1.110
  300   2HG2  VAL  44          2HG2      VAL  44   0.842  -0.855  -0.611
  301   3HG2  VAL  44          3HG2      VAL  44   0.904  -2.134   0.601
  302    H    GLU  45           H        GLU  45  -2.891  -3.660  -1.937
  303    HA   GLU  45           HA       GLU  45  -1.019  -5.727  -2.878
  304   1HB   GLU  45          2HB       GLU  45  -3.351  -6.492  -2.464
  305   1HG   GLU  45          2HG       GLU  45  -2.467  -6.496  -5.344
  306    H    VAL  46           H        VAL  46   0.196  -5.192  -4.518
  307    HA   VAL  46           HA       VAL  46  -0.786  -3.273  -6.518
  308    HB   VAL  46           HB       VAL  46   2.106  -3.190  -5.889
  309   1HG1  VAL  46          1HG1      VAL  46   1.512  -1.728  -7.591
  310   2HG1  VAL  46          2HG1      VAL  46   0.030  -1.235  -6.770
  311   3HG1  VAL  46          3HG1      VAL  46   1.592  -0.689  -6.171
  312   1HG2  VAL  46          1HG2      VAL  46   0.099  -1.874  -4.080
  313   2HG2  VAL  46          2HG2      VAL  46   1.200  -3.179  -3.643
  314   3HG2  VAL  46          3HG2      VAL  46   1.839  -1.590  -4.063
  315    H    ASN  47           H        ASN  47  -0.156  -3.800  -8.614
  316    HA   ASN  47           HA       ASN  47   0.216  -5.187 -10.316
  317   1HB   ASN  47          2HB       ASN  47   2.476  -6.280 -10.484
  318   1HD2  ASN  47          1HD2      ASN  47   3.506  -3.777  -8.373
  319   2HD2  ASN  47          2HD2      ASN  47   4.365  -4.790  -7.257
  320    H    ASP  48           H        ASP  48   1.850  -7.433  -8.128
  321    HA   ASP  48           HA       ASP  48  -0.560  -9.045  -7.976
  322   1HB   ASP  48          2HB       ASP  48   0.485 -11.078  -8.756
  323    H    ARG  49           H        ARG  49   1.690  -7.519  -6.397
  324    HA   ARG  49           HA       ARG  49   2.248  -9.676  -4.484
  325   1HB   ARG  49          2HB       ARG  49   4.237  -8.701  -5.635
  326   1HG   ARG  49          2HG       ARG  49   4.607  -7.675  -2.903
  327   1HD   ARG  49          2HD       ARG  49   6.534  -9.216  -2.988
  328    HE   ARG  49           HE       ARG  49   7.067  -7.070  -3.917
  329   1HH1  ARG  49          2HH1      ARG  49   6.159  -9.473  -6.317
  330   2HH1  ARG  49          1HH1      ARG  49   7.010  -8.675  -7.604
  331   1HH2  ARG  49          2HH2      ARG  49   8.208  -6.070  -5.584
  332   2HH2  ARG  49          1HH2      ARG  49   8.176  -6.736  -7.195
  333    H    GLN  50           H        GLN  50   1.081  -9.538  -2.710
  334    HA   GLN  50           HA       GLN  50   0.267  -6.864  -1.807
  335   1HB   GLN  50          2HB       GLN  50  -1.649  -7.992  -0.674
  336   1HG   GLN  50          2HG       GLN  50  -1.721 -10.334  -2.326
  337   1HE2  GLN  50          1HE2      GLN  50  -3.766 -10.464  -1.492
  338   2HE2  GLN  50          2HE2      GLN  50  -4.083 -10.808   0.177
  339    H    GLY  51           H        GLY  51   1.532  -6.202  -0.287
  340   1HA   GLY  51          1HA       GLY  51   2.104  -7.938   2.001
  341   2HA   GLY  51          2HA       GLY  51   3.468  -7.245   1.130
  342    H    PHE  52           H        PHE  52   4.219  -5.896   2.739
  343    HA   PHE  52           HA       PHE  52   2.273  -3.996   3.840
  344   1HB   PHE  52          2HB       PHE  52   4.875  -5.043   4.936
  345    HD1  PHE  52           1HD      PHE  52   1.544  -4.011   6.248
  346    HD2  PHE  52           2HD      PHE  52   4.394  -7.135   5.777
  347    HE1  PHE  52           1HE      PHE  52   0.153  -5.478   7.643
  348    HE2  PHE  52           2HE      PHE  52   3.006  -8.614   7.171
  349    HZ   PHE  52           HZ       PHE  52   0.883  -7.785   8.106
  350    H    VAL  53           H        VAL  53   2.642  -1.863   3.953
  351    HA   VAL  53           HA       VAL  53   5.139  -0.722   2.902
  352    HB   VAL  53           HB       VAL  53   3.884   1.075   1.759
  353   1HG1  VAL  53          1HG1      VAL  53   4.729  -0.782   0.448
  354   2HG1  VAL  53          2HG1      VAL  53   3.245  -1.690   0.750
  355   3HG1  VAL  53          3HG1      VAL  53   3.192  -0.209  -0.206
  356   1HG2  VAL  53          1HG2      VAL  53   1.797   0.938   3.004
  357   2HG2  VAL  53          2HG2      VAL  53   1.505   0.803   1.269
  358   3HG2  VAL  53          3HG2      VAL  53   1.458  -0.637   2.285
  359    HA   PRO  54           HA       PRO  54   4.713   1.955   6.449
  360   1HB   PRO  54          2HB       PRO  54   5.716   4.302   5.485
  361   1HG   PRO  54          2HG       PRO  54   5.847   3.778   3.232
  362   1HD   PRO  54          2HD       PRO  54   5.616   1.617   2.475
  363    H    ALA  55           H        ALA  55   3.028   2.994   7.266
  364    HA   ALA  55           HA       ALA  55   0.771   3.696   5.785
  365   1HB   ALA  55          1HB       ALA  55   1.538   4.644   8.542
  366   2HB   ALA  55          2HB       ALA  55  -0.085   4.647   7.851
  367   3HB   ALA  55          3HB       ALA  55   0.737   3.118   8.164
  368    H    ALA  56           H        ALA  56   3.570   5.592   6.613
  369    HA   ALA  56           HA       ALA  56   2.308   8.142   6.139
  370   1HB   ALA  56          1HB       ALA  56   5.225   7.446   6.459
  371   2HB   ALA  56          2HB       ALA  56   4.531   9.068   6.500
  372   3HB   ALA  56          3HB       ALA  56   4.122   7.903   7.759
  373    H    TYR  57           H        TYR  57   3.154   5.793   4.024
  374    HA   TYR  57           HA       TYR  57   4.277   7.663   2.048
  375   1HB   TYR  57          2HB       TYR  57   4.604   4.733   2.459
  376    HD1  TYR  57           1HD      TYR  57   6.882   5.239   0.171
  377    HD2  TYR  57           2HD      TYR  57   5.921   6.862   3.980
  378    HE1  TYR  57           1HE      TYR  57   9.224   5.916   0.467
  379    HE2  TYR  57           2HE      TYR  57   8.257   7.538   4.290
  380    HH   TYR  57           HH       TYR  57  10.478   7.691   1.812
  381    H    VAL  58           H        VAL  58   1.486   5.829   2.772
  382    HA   VAL  58           HA       VAL  58   0.468   6.332   0.059
  383    HB   VAL  58           HB       VAL  58  -1.189   4.559   0.467
  384   1HG1  VAL  58          1HG1      VAL  58   0.393   2.652   0.364
  385   2HG1  VAL  58          2HG1      VAL  58   0.848   3.988  -0.695
  386   3HG1  VAL  58          3HG1      VAL  58   1.694   3.748   0.835
  387   1HG2  VAL  58          1HG2      VAL  58   0.351   4.086   3.022
  388   2HG2  VAL  58          2HG2      VAL  58  -1.306   4.676   2.898
  389   3HG2  VAL  58          3HG2      VAL  58  -0.915   3.040   2.375
  390    H    LYS  59           H        LYS  59  -1.656   7.112  -0.171
  391    HA   LYS  59           HA       LYS  59  -2.624   8.568   2.199
  392   1HB   LYS  59          2HB       LYS  59  -1.783  10.038   0.433
  393   1HG   LYS  59          2HG       LYS  59  -4.791  10.123   0.454
  394   1HD   LYS  59          2HD       LYS  59  -2.731  12.271  -0.038
  395   1HE   LYS  59          2HE       LYS  59  -4.618  13.743  -0.424
  396   1HZ   LYS  59          1HZ       LYS  59  -5.425  13.949   1.809
  397   2HZ   LYS  59          2HZ       LYS  59  -3.779  13.544   1.861
  398   3HZ   LYS  59          3HZ       LYS  59  -4.956  12.364   2.185
  399    H    LYS  60           H        LYS  60  -4.792   8.579   2.654
  400    HA   LYS  60           HA       LYS  60  -6.341   6.360   1.753
  401   1HB   LYS  60          2HB       LYS  60  -7.133   8.789   3.376
  402   1HG   LYS  60          2HG       LYS  60  -5.496   7.065   4.380
  403   1HD   LYS  60          2HD       LYS  60  -6.646   5.029   3.707
  404   1HE   LYS  60          2HE       LYS  60  -8.848   5.440   5.681
  405   1HZ   LYS  60          1HZ       LYS  60  -8.637   3.953   3.133
  406   2HZ   LYS  60          2HZ       LYS  60 -10.028   4.036   4.094
  407   3HZ   LYS  60          3HZ       LYS  60  -8.627   3.292   4.694
  408    H    LEU  61           H        LEU  61  -7.291   6.291  -0.188
  409    HA   LEU  61           HA       LEU  61  -8.472   8.726  -1.308
  410   1HB   LEU  61          2HB       LEU  61  -8.178   5.918  -2.387
  411    HG   LEU  61           HG       LEU  61  -6.075   7.308  -2.510
  412   1HD1  LEU  61          1HD1      LEU  61  -5.695   6.819  -4.872
  413   2HD1  LEU  61          2HD1      LEU  61  -6.533   5.493  -4.066
  414   3HD1  LEU  61          3HD1      LEU  61  -7.429   6.597  -5.109
  415   1HD2  LEU  61          1HD2      LEU  61  -6.974   9.517  -2.803
  416   2HD2  LEU  61          2HD2      LEU  61  -6.067   9.091  -4.251
  417   3HD2  LEU  61          3HD2      LEU  61  -7.830   9.029  -4.267
  418    H    ASP  62           H        ASP  62  -9.270   7.335   1.112
  419    HA   ASP  62           HA       ASP  62 -12.009   6.527   0.461
  420   1HB   ASP  62          2HB       ASP  62 -10.832   4.520   0.959
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 -12.533  -6.781  -1.568
    2   2H    MET   1          2H        MET   1 -12.979  -8.396  -1.800
    3   3H    MET   1          3H        MET   1 -12.327  -7.902  -0.314
    4    HA   MET   1           HA       MET   1 -14.704  -8.230  -0.165
    5   1HB   MET   1          2HB       MET   1 -15.165  -6.315   1.079
    6   1HG   MET   1          2HG       MET   1 -13.394  -4.731  -0.766
    7   1HE   MET   1          1HE       MET   1 -12.213  -3.391   2.748
    8   2HE   MET   1          2HE       MET   1 -12.478  -5.059   2.243
    9   3HE   MET   1          3HE       MET   1 -11.673  -3.927   1.157
   10    H    ASP   2           H        ASP   2 -13.645  -6.401  -2.874
   11    HA   ASP   2           HA       ASP   2 -16.040  -6.763  -4.313
   12   1HB   ASP   2          2HB       ASP   2 -17.065  -4.657  -4.322
   13    H    GLU   3           H        GLU   3 -13.239  -4.684  -3.836
   14    HA   GLU   3           HA       GLU   3 -11.330  -4.501  -4.973
   15   1HB   GLU   3          2HB       GLU   3 -12.550  -6.728  -6.542
   16   1HG   GLU   3          2HG       GLU   3 -10.715  -8.013  -5.699
   17    H    THR   4           H        THR   4 -14.295  -4.131  -6.824
   18    HA   THR   4           HA       THR   4 -13.132  -2.529  -8.850
   19    HB   THR   4           HB       THR   4 -15.914  -1.856  -8.146
   20    HG1  THR   4           1HG      THR   4 -16.487  -3.858  -7.816
   21   1HG2  THR   4          1HG2      THR   4 -16.239  -2.298 -10.524
   22   2HG2  THR   4          2HG2      THR   4 -14.597  -2.932 -10.641
   23   3HG2  THR   4          3HG2      THR   4 -14.860  -1.227 -10.272
   24    H    GLY   5           H        GLY   5 -14.405  -1.680  -5.613
   25   1HA   GLY   5          1HA       GLY   5 -12.979   0.799  -5.689
   26   2HA   GLY   5          2HA       GLY   5 -14.716   1.028  -5.859
   27    H    LYS   6           H        LYS   6 -12.138   0.308  -3.738
   28    HA   LYS   6           HA       LYS   6 -14.032   0.162  -1.499
   29   1HB   LYS   6          2HB       LYS   6 -12.771  -1.465  -0.380
   30   1HG   LYS   6          2HG       LYS   6 -10.505  -0.554  -0.696
   31   1HD   LYS   6          2HD       LYS   6 -10.589  -0.254  -3.163
   32   1HE   LYS   6          2HE       LYS   6 -10.363  -3.268  -3.202
   33   1HZ   LYS   6          1HZ       LYS   6  -8.838  -2.348  -4.804
   34   2HZ   LYS   6          2HZ       LYS   6 -10.029  -1.297  -5.406
   35   3HZ   LYS   6          3HZ       LYS   6 -10.187  -2.968  -5.622
   36    H    GLU   7           H        GLU   7 -12.091   0.316   0.547
   37    HA   GLU   7           HA       GLU   7 -11.763   2.942   1.048
   38   1HB   GLU   7          2HB       GLU   7 -10.008   0.618   1.777
   39   1HG   GLU   7          2HG       GLU   7 -10.882   0.916   3.984
   40    H    LEU   8           H        LEU   8  -9.229   0.965  -0.516
   41    HA   LEU   8           HA       LEU   8  -7.575   1.446  -1.976
   42   1HB   LEU   8          2HB       LEU   8  -9.360   3.807  -2.517
   43    HG   LEU   8           HG       LEU   8 -10.137   1.551  -3.322
   44   1HD1  LEU   8          1HD1      LEU   8 -10.882   3.616  -4.376
   45   2HD1  LEU   8          2HD1      LEU   8  -9.457   3.614  -5.414
   46   3HD1  LEU   8          3HD1      LEU   8 -10.668   2.342  -5.578
   47   1HD2  LEU   8          1HD2      LEU   8  -7.650   1.792  -5.010
   48   2HD2  LEU   8          2HD2      LEU   8  -8.014   0.532  -3.831
   49   3HD2  LEU   8          3HD2      LEU   8  -8.960   0.652  -5.313
   50    H    VAL   9           H        VAL   9  -5.605   2.450  -2.116
   51    HA   VAL   9           HA       VAL   9  -5.228   4.896  -0.548
   52    HB   VAL   9           HB       VAL   9  -2.917   4.026   0.087
   53   1HG1  VAL   9          1HG1      VAL   9  -3.766   2.879   2.082
   54   2HG1  VAL   9          2HG1      VAL   9  -4.686   4.340   1.717
   55   3HG1  VAL   9          3HG1      VAL   9  -5.353   2.752   1.325
   56   1HG2  VAL   9          1HG2      VAL   9  -4.229   1.377  -0.530
   57   2HG2  VAL   9          2HG2      VAL   9  -2.870   2.089  -1.401
   58   3HG2  VAL   9          3HG2      VAL   9  -2.680   1.599   0.283
   59    H    LEU  10           H        LEU  10  -3.792   6.324  -1.360
   60    HA   LEU  10           HA       LEU  10  -2.956   5.815  -4.117
   61   1HB   LEU  10          2HB       LEU  10  -4.189   7.734  -4.177
   62    HG   LEU  10           HG       LEU  10  -1.445   8.731  -3.531
   63   1HD1  LEU  10          1HD1      LEU  10  -1.439   9.295  -5.907
   64   2HD1  LEU  10          2HD1      LEU  10  -1.725   7.575  -5.638
   65   3HD1  LEU  10          3HD1      LEU  10  -3.068   8.635  -6.059
   66   1HD2  LEU  10          1HD2      LEU  10  -2.192  10.951  -4.287
   67   2HD2  LEU  10          2HD2      LEU  10  -3.857  10.368  -4.289
   68   3HD2  LEU  10          3HD2      LEU  10  -2.955  10.456  -2.774
   69    H    ALA  11           H        ALA  11  -0.893   5.249  -4.408
   70    HA   ALA  11           HA       ALA  11   1.118   5.473  -2.440
   71   1HB   ALA  11          1HB       ALA  11   2.638   4.701  -4.164
   72   2HB   ALA  11          2HB       ALA  11   1.133   3.783  -4.239
   73   3HB   ALA  11          3HB       ALA  11   1.446   5.065  -5.411
   74    H    LEU  12           H        LEU  12   2.219   7.219  -1.827
   75    HA   LEU  12           HA       LEU  12   2.022   9.653  -3.422
   76   1HB   LEU  12          2HB       LEU  12   3.231   9.179  -0.696
   77    HG   LEU  12           HG       LEU  12   0.766   8.868  -0.664
   78   1HD1  LEU  12          1HD1      LEU  12   0.308  10.471   1.105
   79   2HD1  LEU  12          2HD1      LEU  12   1.932   9.806   1.270
   80   3HD1  LEU  12          3HD1      LEU  12   1.704  11.429   0.620
   81   1HD2  LEU  12          1HD2      LEU  12   0.707  11.705  -1.697
   82   2HD2  LEU  12          2HD2      LEU  12   0.189  10.267  -2.579
   83   3HD2  LEU  12          3HD2      LEU  12  -0.689  10.783  -1.138
   84    H    TYR  13           H        TYR  13   4.427   7.336  -2.406
   85    HA   TYR  13           HA       TYR  13   6.467   8.911  -3.791
   86   1HB   TYR  13          2HB       TYR  13   7.044   7.440  -1.226
   87    HD1  TYR  13           1HD      TYR  13   6.211   8.175   0.771
   88    HD2  TYR  13           2HD      TYR  13   6.546  10.978  -2.404
   89    HE1  TYR  13           1HE      TYR  13   5.286   9.927   2.227
   90    HE2  TYR  13           2HE      TYR  13   5.621  12.734  -0.964
   91    HH   TYR  13           HH       TYR  13   5.161  12.271   2.439
   92    H    ASP  14           H        ASP  14   8.157   7.680  -4.747
   93    HA   ASP  14           HA       ASP  14   7.491   5.050  -5.578
   94   1HB   ASP  14          2HB       ASP  14  10.281   6.176  -5.683
   95    H    TYR  15           H        TYR  15   7.566   3.334  -4.233
   96    HA   TYR  15           HA       TYR  15   9.518   3.432  -2.045
   97   1HB   TYR  15          2HB       TYR  15   7.086   3.336  -1.407
   98    HD1  TYR  15           1HD      TYR  15   9.303   3.514   0.250
   99    HD2  TYR  15           2HD      TYR  15   7.077   0.000  -0.659
  100    HE1  TYR  15           1HE      TYR  15  10.061   2.486   2.357
  101    HE2  TYR  15           2HE      TYR  15   7.835  -1.030   1.425
  102    HH   TYR  15           HH       TYR  15   9.440   0.732   3.894
  103    H    GLN  16           H        GLN  16  11.168   2.125  -2.125
  104    HA   GLN  16           HA       GLN  16  10.972  -0.375  -3.638
  105   1HB   GLN  16          2HB       GLN  16  12.925   1.015  -4.136
  106   1HG   GLN  16          2HG       GLN  16  14.729  -0.501  -3.818
  107   1HE2  GLN  16          1HE2      GLN  16  12.202  -2.713  -2.927
  108   2HE2  GLN  16          2HE2      GLN  16  11.901  -3.333  -4.518
  109    H    GLU  17           H        GLU  17  10.244  -2.032  -2.510
  110    HA   GLU  17           HA       GLU  17   9.961  -2.263   0.209
  111   1HB   GLU  17          2HB       GLU  17   9.714  -4.663  -0.130
  112   1HG   GLU  17          2HG       GLU  17  10.993  -4.155  -2.792
  113    H    LYS  18           H        LYS  18  11.194  -2.694   1.887
  114    HA   LYS  18           HA       LYS  18  14.062  -3.020   1.472
  115   1HB   LYS  18          2HB       LYS  18  12.538  -2.663   4.069
  116   1HG   LYS  18          2HG       LYS  18  13.900  -0.494   2.491
  117   1HD   LYS  18          2HD       LYS  18  12.601   0.961   4.034
  118   1HE   LYS  18          2HE       LYS  18  14.002   0.594   6.013
  119   1HZ   LYS  18          1HZ       LYS  18  16.119   0.794   4.948
  120   2HZ   LYS  18          2HZ       LYS  18  14.974   1.628   4.017
  121   3HZ   LYS  18          3HZ       LYS  18  15.532   0.105   3.517
  122    H    SER  19           H        SER  19  11.391  -4.963   1.962
  123    HA   SER  19           HA       SER  19  13.041  -7.278   2.499
  124   1HB   SER  19          2HB       SER  19  11.698  -8.017   4.427
  125    HG   SER  19           HG       SER  19  10.461  -5.463   4.394
  126    HA   PRO  20           HA       PRO  20  10.192  -9.097  -0.374
  127   1HB   PRO  20          2HB       PRO  20   9.903 -11.632   0.673
  128   1HG   PRO  20          2HG       PRO  20  11.057 -11.304   2.659
  129   1HD   PRO  20          2HD       PRO  20  12.476  -9.490   2.980
  130    H    ALA  21           H        ALA  21   9.383  -8.829   2.946
  131    HA   ALA  21           HA       ALA  21   6.656  -9.746   2.653
  132   1HB   ALA  21          1HB       ALA  21   6.376  -9.034   4.967
  133   2HB   ALA  21          2HB       ALA  21   7.824 -10.023   4.789
  134   3HB   ALA  21          3HB       ALA  21   7.965  -8.271   4.938
  135    H    GLU  22           H        GLU  22   8.415  -6.940   2.049
  136    HA   GLU  22           HA       GLU  22   6.140  -5.134   2.234
  137   1HB   GLU  22          2HB       GLU  22   9.046  -4.770   1.520
  138   1HG   GLU  22          2HG       GLU  22   7.523  -3.303   3.622
  139    H    VAL  23           H        VAL  23   5.957  -3.625   0.211
  140    HA   VAL  23           HA       VAL  23   6.357  -5.188  -2.234
  141    HB   VAL  23           HB       VAL  23   4.109  -5.563  -2.179
  142   1HG1  VAL  23          1HG1      VAL  23   3.815  -4.454   0.012
  143   2HG1  VAL  23          2HG1      VAL  23   3.608  -2.920  -0.832
  144   3HG1  VAL  23          3HG1      VAL  23   2.446  -4.228  -1.081
  145   1HG2  VAL  23          1HG2      VAL  23   4.327  -2.794  -3.330
  146   2HG2  VAL  23          2HG2      VAL  23   4.309  -4.332  -4.192
  147   3HG2  VAL  23          3HG2      VAL  23   2.847  -3.742  -3.399
  148    H    THR  24           H        THR  24   7.304  -4.141  -3.790
  149    HA   THR  24           HA       THR  24   8.025  -1.395  -3.639
  150    HB   THR  24           HB       THR  24   8.133  -3.301  -5.989
  151    HG1  THR  24           1HG      THR  24   9.360  -4.100  -4.278
  152   1HG2  THR  24          1HG2      THR  24   9.627  -0.725  -5.489
  153   2HG2  THR  24          2HG2      THR  24   8.350  -0.966  -6.679
  154   3HG2  THR  24          3HG2      THR  24   9.884  -1.816  -6.849
  155    H    MET  25           H        MET  25   7.048   0.376  -4.516
  156    HA   MET  25           HA       MET  25   4.856   0.021  -6.407
  157   1HB   MET  25          2HB       MET  25   3.261   1.248  -5.098
  158   1HG   MET  25          2HG       MET  25   5.423   1.540  -3.024
  159   1HE   MET  25          1HE       MET  25   3.381   3.535  -0.367
  160   2HE   MET  25          2HE       MET  25   4.967   2.924  -0.827
  161   3HE   MET  25          3HE       MET  25   4.203   4.197  -1.779
  162    H    LYS  26           H        LYS  26   4.349   1.906  -7.580
  163    HA   LYS  26           HA       LYS  26   6.277   4.111  -7.266
  164   1HB   LYS  26          2HB       LYS  26   4.766   3.085  -9.669
  165   1HG   LYS  26          2HG       LYS  26   7.005   2.093  -9.177
  166   1HD   LYS  26          2HD       LYS  26   7.868   4.939  -9.669
  167   1HE   LYS  26          2HE       LYS  26   9.239   3.456 -11.031
  168   1HZ   LYS  26          1HZ       LYS  26  10.659   1.816  -9.893
  169   2HZ   LYS  26          2HZ       LYS  26   9.021   1.385  -9.901
  170   3HZ   LYS  26          3HZ       LYS  26   9.726   2.007  -8.484
  171    H    LYS  27           H        LYS  27   5.555   6.139  -6.957
  172    HA   LYS  27           HA       LYS  27   3.039   6.646  -5.920
  173   1HB   LYS  27          2HB       LYS  27   3.605   8.891  -5.815
  174   1HG   LYS  27          2HG       LYS  27   3.952   9.142  -8.320
  175   1HD   LYS  27          2HD       LYS  27   6.785   8.562  -7.476
  176   1HE   LYS  27          2HE       LYS  27   5.811   9.314 -10.213
  177   1HZ   LYS  27          1HZ       LYS  27   8.552   9.651  -9.242
  178   2HZ   LYS  27          2HZ       LYS  27   8.000   9.280 -10.805
  179   3HZ   LYS  27          3HZ       LYS  27   8.032   8.079  -9.596
  180    H    GLY  28           H        GLY  28   1.244   7.734  -6.661
  181   1HA   GLY  28          1HA       GLY  28  -0.196   8.597  -8.317
  182   2HA   GLY  28          2HA       GLY  28   0.939   8.062  -9.547
  183    H    ASP  29           H        ASP  29   1.001   5.392  -7.984
  184    HA   ASP  29           HA       ASP  29  -1.186   4.188  -9.441
  185   1HB   ASP  29          2HB       ASP  29   1.048   3.054  -7.769
  186    H    ILE  30           H        ILE  30  -3.017   3.376  -8.641
  187    HA   ILE  30           HA       ILE  30  -3.671   4.049  -5.868
  188    HB   ILE  30           HB       ILE  30  -5.537   3.039  -8.021
  189   1HG1  ILE  30          2HG1      ILE  30  -4.534   5.118  -8.794
  190   1HG2  ILE  30          1HG2      ILE  30  -6.387   2.768  -5.768
  191   2HG2  ILE  30          2HG2      ILE  30  -6.053   4.463  -5.413
  192   3HG2  ILE  30          3HG2      ILE  30  -7.281   4.037  -6.605
  193   1HD1  ILE  30          1HD1      ILE  30  -4.797   7.215  -7.595
  194   2HD1  ILE  30          2HD1      ILE  30  -5.456   6.346  -6.209
  195   3HD1  ILE  30          3HD1      ILE  30  -3.782   6.086  -6.696
  196    H    LEU  31           H        LEU  31  -3.215   2.453  -4.438
  197    HA   LEU  31           HA       LEU  31  -3.264  -0.317  -5.394
  198   1HB   LEU  31          2HB       LEU  31  -2.468   0.344  -2.608
  199    HG   LEU  31           HG       LEU  31  -1.056   1.983  -3.565
  200   1HD1  LEU  31          1HD1      LEU  31   0.477  -0.606  -3.475
  201   2HD1  LEU  31          2HD1      LEU  31   1.149   1.013  -3.280
  202   3HD1  LEU  31          3HD1      LEU  31   0.033   0.370  -2.071
  203   1HD2  LEU  31          1HD2      LEU  31  -0.273   0.013  -5.706
  204   2HD2  LEU  31          2HD2      LEU  31  -1.397   1.353  -5.938
  205   3HD2  LEU  31          3HD2      LEU  31   0.290   1.678  -5.529
  206    H    THR  32           H        THR  32  -4.259  -1.960  -4.104
  207    HA   THR  32           HA       THR  32  -6.778  -1.081  -2.959
  208    HB   THR  32           HB       THR  32  -5.688  -3.814  -3.644
  209    HG1  THR  32           1HG      THR  32  -6.456  -2.748  -5.439
  210   1HG2  THR  32          1HG2      THR  32  -8.345  -3.138  -2.385
  211   2HG2  THR  32          2HG2      THR  32  -7.039  -4.047  -1.625
  212   3HG2  THR  32          3HG2      THR  32  -7.891  -4.719  -3.018
  213    H    LEU  33           H        LEU  33  -7.164  -0.929  -0.843
  214    HA   LEU  33           HA       LEU  33  -5.065  -1.434   1.026
  215   1HB   LEU  33          2HB       LEU  33  -7.488   0.086   1.025
  216    HG   LEU  33           HG       LEU  33  -5.566   1.222   1.727
  217   1HD1  LEU  33          1HD1      LEU  33  -7.274   0.576   4.116
  218   2HD1  LEU  33          2HD1      LEU  33  -6.040   1.834   4.102
  219   3HD1  LEU  33          3HD1      LEU  33  -7.426   1.948   3.017
  220   1HD2  LEU  33          1HD2      LEU  33  -5.132  -0.930   3.793
  221   2HD2  LEU  33          2HD2      LEU  33  -4.212  -0.734   2.301
  222   3HD2  LEU  33          3HD2      LEU  33  -4.128   0.502   3.557
  223    H    LEU  34           H        LEU  34  -4.692  -3.203   2.109
  224    HA   LEU  34           HA       LEU  34  -6.777  -5.269   2.266
  225   1HB   LEU  34          2HB       LEU  34  -3.770  -5.412   2.400
  226    HG   LEU  34           HG       LEU  34  -4.618  -5.303   0.102
  227   1HD1  LEU  34          1HD1      LEU  34  -3.569  -7.344  -0.721
  228   2HD1  LEU  34          2HD1      LEU  34  -2.632  -6.620   0.586
  229   3HD1  LEU  34          3HD1      LEU  34  -3.634  -8.036   0.900
  230   1HD2  LEU  34          1HD2      LEU  34  -6.219  -7.738   0.887
  231   2HD2  LEU  34          2HD2      LEU  34  -6.850  -6.170   0.386
  232   3HD2  LEU  34          3HD2      LEU  34  -5.981  -7.178  -0.768
  233    H    ASN  35           H        ASN  35  -4.489  -3.373   4.091
  234    HA   ASN  35           HA       ASN  35  -5.914  -3.996   6.543
  235   1HB   ASN  35          2HB       ASN  35  -4.341  -5.557   7.058
  236   1HD2  ASN  35          1HD2      ASN  35  -1.838  -3.165   6.643
  237   2HD2  ASN  35          2HD2      ASN  35  -1.572  -2.884   8.329
  238    H    SER  36           H        SER  36  -6.193  -2.234   7.710
  239    HA   SER  36           HA       SER  36  -4.159  -0.125   7.651
  240   1HB   SER  36          2HB       SER  36  -6.129   1.540   7.666
  241    HG   SER  36           HG       SER  36  -8.053   0.828   7.084
  242    H    THR  37           H        THR  37  -5.173  -2.307   9.461
  243    HA   THR  37           HA       THR  37  -6.244  -0.800  11.706
  244    HB   THR  37           HB       THR  37  -7.124  -3.082  11.032
  245    HG1  THR  37           1HG      THR  37  -6.196  -3.206  13.702
  246   1HG2  THR  37          1HG2      THR  37  -4.558  -4.021  12.328
  247   2HG2  THR  37          2HG2      THR  37  -4.969  -4.180  10.620
  248   3HG2  THR  37          3HG2      THR  37  -5.906  -5.048  11.838
  249    H    ASN  38           H        ASN  38  -3.257  -1.508  10.457
  250    HA   ASN  38           HA       ASN  38  -1.925  -1.554  13.068
  251   1HB   ASN  38          2HB       ASN  38  -1.180  -3.204  11.344
  252   1HD2  ASN  38          1HD2      ASN  38   1.397  -2.800  10.315
  253   2HD2  ASN  38          2HD2      ASN  38   2.466  -2.536  11.655
  254    H    LYS  39           H        LYS  39  -0.709   0.139  13.783
  255    HA   LYS  39           HA       LYS  39  -1.349   2.679  12.611
  256   1HB   LYS  39          2HB       LYS  39  -0.432   3.670  14.549
  257   1HG   LYS  39          2HG       LYS  39   1.007   1.102  15.179
  258   1HD   LYS  39          2HD       LYS  39   0.956   3.770  16.571
  259   1HE   LYS  39          2HE       LYS  39   2.427   2.677  18.216
  260   1HZ   LYS  39          1HZ       LYS  39   4.451   2.679  16.888
  261   2HZ   LYS  39          2HZ       LYS  39   3.469   4.003  16.498
  262   3HZ   LYS  39          3HZ       LYS  39   3.540   2.662  15.455
  263    H    ASP  40           H        ASP  40   1.158   0.486  12.066
  264    HA   ASP  40           HA       ASP  40   2.983   2.653  11.229
  265   1HB   ASP  40          2HB       ASP  40   3.781  -0.178  11.929
  266    H    TRP  41           H        TRP  41   2.477  -0.791  10.492
  267    HA   TRP  41           HA       TRP  41   3.145  -0.187   7.702
  268   1HB   TRP  41          2HB       TRP  41   3.392  -2.704   9.340
  269    HD1  TRP  41           HD       TRP  41   5.342  -1.576  10.795
  270    HE1  TRP  41           1HE      TRP  41   7.783  -0.978  10.225
  271    HE3  TRP  41           3HE      TRP  41   5.089  -1.864   5.694
  272    HZ2  TRP  41           2HZ      TRP  41   9.379  -0.664   7.927
  273    HZ3  TRP  41           3HZ      TRP  41   7.118  -1.397   4.389
  274    HH2  TRP  41           HH       TRP  41   9.217  -0.810   5.482
  275    H    TRP  42           H        TRP  42   1.640  -0.342   6.197
  276    HA   TRP  42           HA       TRP  42  -0.880  -1.700   6.858
  277   1HB   TRP  42          2HB       TRP  42  -0.169   0.425   4.848
  278    HD1  TRP  42           HD       TRP  42  -1.092  -0.041   8.326
  279    HE1  TRP  42           1HE      TRP  42  -2.290   2.033   9.259
  280    HE3  TRP  42           3HE      TRP  42  -2.199   2.212   3.939
  281    HZ2  TRP  42           2HZ      TRP  42  -3.556   4.355   8.229
  282    HZ3  TRP  42           3HZ      TRP  42  -3.410   4.368   3.962
  283    HH2  TRP  42           HH       TRP  42  -4.070   5.414   6.070
  284    H    LYS  43           H        LYS  43  -1.954  -2.782   4.939
  285    HA   LYS  43           HA       LYS  43   0.087  -4.258   3.407
  286   1HB   LYS  43          2HB       LYS  43  -1.308  -5.512   5.252
  287   1HG   LYS  43          2HG       LYS  43  -1.212  -6.673   2.477
  288   1HD   LYS  43          2HD       LYS  43  -1.025  -8.022   5.177
  289   1HE   LYS  43          2HE       LYS  43  -1.424 -10.072   3.831
  290   1HZ   LYS  43          1HZ       LYS  43   0.838  -9.559   4.418
  291   2HZ   LYS  43          2HZ       LYS  43   0.999  -8.541   3.075
  292   3HZ   LYS  43          3HZ       LYS  43   0.795 -10.206   2.849
  293    H    VAL  44           H        VAL  44  -0.118  -4.143   1.274
  294    HA   VAL  44           HA       VAL  44  -2.699  -3.320   0.139
  295    HB   VAL  44           HB       VAL  44  -1.488  -1.758  -1.406
  296   1HG1  VAL  44          1HG1      VAL  44  -1.315   0.066   0.222
  297   2HG1  VAL  44          2HG1      VAL  44  -2.754  -0.915   0.493
  298   3HG1  VAL  44          3HG1      VAL  44  -1.346  -1.108   1.536
  299   1HG2  VAL  44          1HG2      VAL  44   0.719  -0.942  -0.739
  300   2HG2  VAL  44          2HG2      VAL  44   0.774  -2.136   0.558
  301   3HG2  VAL  44          3HG2      VAL  44   0.764  -2.661  -1.126
  302    H    GLU  45           H        GLU  45  -2.982  -3.877  -2.061
  303    HA   GLU  45           HA       GLU  45  -1.057  -5.885  -3.020
  304   1HB   GLU  45          2HB       GLU  45  -3.356  -6.725  -2.498
  305   1HG   GLU  45          2HG       GLU  45  -2.655  -6.860  -5.425
  306    H    VAL  46           H        VAL  46  -0.109  -5.593  -4.902
  307    HA   VAL  46           HA       VAL  46  -1.115  -3.628  -6.821
  308    HB   VAL  46           HB       VAL  46   1.796  -3.497  -6.433
  309   1HG1  VAL  46          1HG1      VAL  46   1.257  -1.014  -6.588
  310   2HG1  VAL  46          2HG1      VAL  46   0.923  -2.016  -8.002
  311   3HG1  VAL  46          3HG1      VAL  46  -0.392  -1.526  -6.936
  312   1HG2  VAL  46          1HG2      VAL  46   1.228  -3.587  -4.099
  313   2HG2  VAL  46          2HG2      VAL  46   1.705  -1.943  -4.524
  314   3HG2  VAL  46          3HG2      VAL  46  -0.002  -2.341  -4.315
  315    H    ASN  47           H        ASN  47  -0.657  -4.258  -8.905
  316    HA   ASN  47           HA       ASN  47  -0.338  -5.703 -10.575
  317   1HB   ASN  47          2HB       ASN  47   1.962  -6.561 -10.958
  318   1HD2  ASN  47          1HD2      ASN  47   2.964  -4.059  -8.847
  319   2HD2  ASN  47          2HD2      ASN  47   3.992  -5.023  -7.839
  320    H    ASP  48           H        ASP  48   1.600  -7.677  -8.331
  321    HA   ASP  48           HA       ASP  48  -0.630  -9.462  -7.918
  322   1HB   ASP  48          2HB       ASP  48   0.387 -10.238 -10.071
  323    H    ARG  49           H        ARG  49   1.541  -7.711  -6.620
  324    HA   ARG  49           HA       ARG  49   2.395  -9.682  -4.608
  325   1HB   ARG  49          2HB       ARG  49   4.366  -8.875  -5.624
  326   1HG   ARG  49          2HG       ARG  49   4.265  -6.844  -3.451
  327   1HD   ARG  49          2HD       ARG  49   6.504  -7.557  -3.025
  328    HE   ARG  49           HE       ARG  49   6.540  -6.140  -4.985
  329   1HH1  ARG  49          2HH1      ARG  49   6.769  -9.577  -5.557
  330   2HH1  ARG  49          1HH1      ARG  49   7.456  -9.411  -7.142
  331   1HH2  ARG  49          2HH2      ARG  49   7.425  -5.906  -7.097
  332   2HH2  ARG  49          1HH2      ARG  49   7.819  -7.322  -8.023
  333    H    GLN  50           H        GLN  50   1.319  -9.507  -2.794
  334    HA   GLN  50           HA       GLN  50   0.392  -6.848  -1.958
  335   1HB   GLN  50          2HB       GLN  50  -1.439  -8.059  -0.715
  336   1HG   GLN  50          2HG       GLN  50  -1.429 -10.366  -2.472
  337   1HE2  GLN  50          1HE2      GLN  50  -3.527 -10.583  -1.745
  338   2HE2  GLN  50          2HE2      GLN  50  -3.906 -11.039  -0.123
  339    H    GLY  51           H        GLY  51   1.684  -6.130  -0.488
  340   1HA   GLY  51          1HA       GLY  51   2.389  -7.864   1.769
  341   2HA   GLY  51          2HA       GLY  51   3.682  -7.074   0.878
  342    H    PHE  52           H        PHE  52   4.294  -5.930   2.771
  343    HA   PHE  52           HA       PHE  52   2.332  -4.013   3.778
  344   1HB   PHE  52          2HB       PHE  52   4.885  -5.107   4.888
  345    HD1  PHE  52           1HD      PHE  52   2.054  -3.578   6.639
  346    HD2  PHE  52           2HD      PHE  52   3.872  -7.220   5.404
  347    HE1  PHE  52           1HE      PHE  52   0.558  -4.821   8.138
  348    HE2  PHE  52           2HE      PHE  52   2.368  -8.475   6.900
  349    HZ   PHE  52           HZ       PHE  52   0.715  -7.270   8.276
  350    H    VAL  53           H        VAL  53   2.630  -1.888   3.856
  351    HA   VAL  53           HA       VAL  53   5.096  -0.694   2.785
  352    HB   VAL  53           HB       VAL  53   3.736   1.081   1.676
  353   1HG1  VAL  53          1HG1      VAL  53   3.117  -0.227  -0.301
  354   2HG1  VAL  53          2HG1      VAL  53   4.687  -0.711   0.341
  355   3HG1  VAL  53          3HG1      VAL  53   3.267  -1.711   0.642
  356   1HG2  VAL  53          1HG2      VAL  53   1.376   0.654   1.184
  357   2HG2  VAL  53          2HG2      VAL  53   1.427  -0.792   2.195
  358   3HG2  VAL  53          3HG2      VAL  53   1.662   0.799   2.919
  359    HA   PRO  54           HA       PRO  54   4.669   1.945   6.358
  360   1HB   PRO  54          2HB       PRO  54   5.732   4.271   5.389
  361   1HG   PRO  54          2HG       PRO  54   5.931   3.715   3.150
  362   1HD   PRO  54          2HD       PRO  54   5.666   1.552   2.412
  363    H    ALA  55           H        ALA  55   3.001   3.085   7.139
  364    HA   ALA  55           HA       ALA  55   0.819   3.751   5.482
  365   1HB   ALA  55          1HB       ALA  55   1.344   4.523   8.346
  366   2HB   ALA  55          2HB       ALA  55  -0.211   4.620   7.518
  367   3HB   ALA  55          3HB       ALA  55   0.546   3.050   7.791
  368    H    ALA  56           H        ALA  56   3.572   5.560   6.477
  369    HA   ALA  56           HA       ALA  56   2.368   8.144   5.985
  370   1HB   ALA  56          1HB       ALA  56   4.581   9.035   6.464
  371   2HB   ALA  56          2HB       ALA  56   4.085   7.878   7.702
  372   3HB   ALA  56          3HB       ALA  56   5.248   7.402   6.464
  373    H    TYR  57           H        TYR  57   3.214   5.782   3.930
  374    HA   TYR  57           HA       TYR  57   4.322   7.630   1.924
  375   1HB   TYR  57          2HB       TYR  57   4.724   4.713   2.381
  376    HD1  TYR  57           1HD      TYR  57   7.070   5.132   0.219
  377    HD2  TYR  57           2HD      TYR  57   5.941   7.002   3.863
  378    HE1  TYR  57           1HE      TYR  57   9.410   5.797   0.592
  379    HE2  TYR  57           2HE      TYR  57   8.274   7.671   4.253
  380    HH   TYR  57           HH       TYR  57  10.682   7.446   1.833
  381    H    VAL  58           H        VAL  58   1.552   5.994   2.798
  382    HA   VAL  58           HA       VAL  58   0.481   6.302   0.080
  383    HB   VAL  58           HB       VAL  58  -1.131   4.509   0.597
  384   1HG1  VAL  58          1HG1      VAL  58   1.776   3.779   0.923
  385   2HG1  VAL  58          2HG1      VAL  58   0.492   2.634   0.522
  386   3HG1  VAL  58          3HG1      VAL  58   0.890   3.938  -0.598
  387   1HG2  VAL  58          1HG2      VAL  58   0.496   4.152   3.115
  388   2HG2  VAL  58          2HG2      VAL  58  -1.173   4.714   3.032
  389   3HG2  VAL  58          3HG2      VAL  58  -0.773   3.066   2.548
  390    H    LYS  59           H        LYS  59  -1.622   7.102  -0.102
  391    HA   LYS  59           HA       LYS  59  -2.488   8.644   2.254
  392   1HB   LYS  59          2HB       LYS  59  -1.718   9.933   0.246
  393   1HG   LYS  59          2HG       LYS  59  -4.645  10.269   0.861
  394   1HD   LYS  59          2HD       LYS  59  -2.636  12.119  -0.414
  395   1HE   LYS  59          2HE       LYS  59  -4.479  13.743  -0.509
  396   1HZ   LYS  59          1HZ       LYS  59  -4.409  14.417   1.790
  397   2HZ   LYS  59          2HZ       LYS  59  -2.881  13.848   1.327
  398   3HZ   LYS  59          3HZ       LYS  59  -3.894  12.878   2.274
  399    H    LYS  60           H        LYS  60  -4.596   8.554   2.897
  400    HA   LYS  60           HA       LYS  60  -6.156   6.309   2.026
  401   1HB   LYS  60          2HB       LYS  60  -6.772   8.578   3.926
  402   1HG   LYS  60          2HG       LYS  60  -5.234   6.611   4.603
  403   1HD   LYS  60          2HD       LYS  60  -6.505   4.749   3.789
  404   1HE   LYS  60          2HE       LYS  60  -8.762   5.798   5.484
  405   1HZ   LYS  60          1HZ       LYS  60  -8.748   3.421   5.550
  406   2HZ   LYS  60          2HZ       LYS  60  -8.620   3.331   3.862
  407   3HZ   LYS  60          3HZ       LYS  60 -10.032   3.952   4.569
  408    H    LEU  61           H        LEU  61  -7.121   6.353   0.099
  409    HA   LEU  61           HA       LEU  61  -8.382   8.807  -0.845
  410   1HB   LEU  61          2HB       LEU  61  -8.157   6.045  -2.053
  411    HG   LEU  61           HG       LEU  61  -6.015   7.389  -2.154
  412   1HD1  LEU  61          1HD1      LEU  61  -7.459   6.760  -4.726
  413   2HD1  LEU  61          2HD1      LEU  61  -5.722   7.006  -4.569
  414   3HD1  LEU  61          3HD1      LEU  61  -6.495   5.645  -3.760
  415   1HD2  LEU  61          1HD2      LEU  61  -7.747   9.197  -3.846
  416   2HD2  LEU  61          2HD2      LEU  61  -6.910   9.624  -2.354
  417   3HD2  LEU  61          3HD2      LEU  61  -5.983   9.237  -3.803
  418    H    ASP  62           H        ASP  62  -9.305   7.855   1.543
  419    HA   ASP  62           HA       ASP  62 -12.004   6.909   0.971
  420   1HB   ASP  62          2HB       ASP  62 -10.811   4.874   1.413
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 -16.328  -7.179  -0.115
    2   2H    MET   1          2H        MET   1 -16.091  -5.544   0.271
    3   3H    MET   1          3H        MET   1 -14.908  -6.392  -0.585
    4    HA   MET   1           HA       MET   1 -17.644  -5.923  -1.598
    5   1HB   MET   1          2HB       MET   1 -16.410  -3.791  -1.293
    6   1HG   MET   1          2HG       MET   1 -16.686  -4.607  -4.175
    7   1HE   MET   1          1HE       MET   1 -16.327  -0.320  -2.493
    8   2HE   MET   1          2HE       MET   1 -17.739  -1.341  -2.208
    9   3HE   MET   1          3HE       MET   1 -16.177  -1.780  -1.516
   10    H    ASP   2           H        ASP   2 -14.500  -5.817  -3.181
   11    HA   ASP   2           HA       ASP   2 -15.215  -8.262  -4.677
   12   1HB   ASP   2          2HB       ASP   2 -13.647  -7.443  -6.426
   13    H    GLU   3           H        GLU   3 -13.435  -7.129  -2.241
   14    HA   GLU   3           HA       GLU   3 -11.845  -9.518  -2.108
   15   1HB   GLU   3          2HB       GLU   3 -10.383  -7.858  -3.307
   16   1HG   GLU   3          2HG       GLU   3  -8.417  -7.951  -1.891
   17    H    THR   4           H        THR   4 -10.743  -9.451   0.235
   18    HA   THR   4           HA       THR   4 -12.645  -9.004   2.202
   19    HB   THR   4           HB       THR   4  -9.741  -8.657   2.903
   20    HG1  THR   4           1HG      THR   4 -11.014 -11.086   2.066
   21   1HG2  THR   4          1HG2      THR   4 -10.389 -10.084   4.785
   22   2HG2  THR   4          2HG2      THR   4 -12.019 -10.222   4.127
   23   3HG2  THR   4          3HG2      THR   4 -11.420  -8.658   4.682
   24    H    GLY   5           H        GLY   5 -10.546  -6.689   0.682
   25   1HA   GLY   5          1HA       GLY   5 -11.967  -4.532   1.964
   26   2HA   GLY   5          2HA       GLY   5 -10.250  -4.602   2.345
   27    H    LYS   6           H        LYS   6 -11.323  -2.415   1.030
   28    HA   LYS   6           HA       LYS   6  -9.797  -2.566  -1.429
   29   1HB   LYS   6          2HB       LYS   6 -12.042  -3.013  -2.191
   30   1HG   LYS   6          2HG       LYS   6 -12.400  -1.318  -3.762
   31   1HD   LYS   6          2HD       LYS   6 -10.150  -0.788  -4.635
   32   1HE   LYS   6          2HE       LYS   6  -9.431  -3.126  -4.931
   33   1HZ   LYS   6          1HZ       LYS   6 -11.429  -3.951  -5.923
   34   2HZ   LYS   6          2HZ       LYS   6 -11.352  -2.276  -6.196
   35   3HZ   LYS   6          3HZ       LYS   6 -12.386  -2.901  -5.008
   36    H    GLU   7           H        GLU   7 -11.970  -0.010  -0.690
   37    HA   GLU   7           HA       GLU   7 -11.769   2.059   0.205
   38   1HB   GLU   7          2HB       GLU   7  -9.470   0.668   1.495
   39   1HG   GLU   7          2HG       GLU   7 -10.521   1.323   3.532
   40    H    LEU   8           H        LEU   8  -8.948   0.830  -1.447
   41    HA   LEU   8           HA       LEU   8  -7.476   1.677  -2.914
   42   1HB   LEU   8          2HB       LEU   8  -9.642   3.736  -3.269
   43    HG   LEU   8           HG       LEU   8 -10.197   1.437  -4.058
   44   1HD1  LEU   8          1HD1      LEU   8 -11.212   3.365  -5.113
   45   2HD1  LEU   8          2HD1      LEU   8  -9.823   3.539  -6.188
   46   3HD1  LEU   8          3HD1      LEU   8 -10.870   2.126  -6.320
   47   1HD2  LEU   8          1HD2      LEU   8  -9.024   0.628  -6.091
   48   2HD2  LEU   8          2HD2      LEU   8  -7.816   1.889  -5.856
   49   3HD2  LEU   8          3HD2      LEU   8  -8.008   0.615  -4.652
   50    H    VAL   9           H        VAL   9  -5.593   2.424  -2.335
   51    HA   VAL   9           HA       VAL   9  -5.486   5.034  -0.988
   52    HB   VAL   9           HB       VAL   9  -3.264   4.266  -0.026
   53   1HG1  VAL   9          1HG1      VAL   9  -4.302   3.124   1.866
   54   2HG1  VAL   9          2HG1      VAL   9  -5.277   4.491   1.333
   55   3HG1  VAL   9          3HG1      VAL   9  -5.757   2.847   0.909
   56   1HG2  VAL   9          1HG2      VAL   9  -2.960   1.843   0.254
   57   2HG2  VAL   9          2HG2      VAL   9  -4.346   1.560  -0.799
   58   3HG2  VAL   9          3HG2      VAL   9  -2.896   2.328  -1.442
   59    H    LEU  10           H        LEU  10  -3.960   6.459  -1.657
   60    HA   LEU  10           HA       LEU  10  -2.956   5.931  -4.345
   61   1HB   LEU  10          2HB       LEU  10  -4.185   7.858  -4.447
   62    HG   LEU  10           HG       LEU  10  -1.436   8.826  -3.771
   63   1HD1  LEU  10          1HD1      LEU  10  -1.352   9.294  -6.168
   64   2HD1  LEU  10          2HD1      LEU  10  -1.672   7.590  -5.843
   65   3HD1  LEU  10          3HD1      LEU  10  -2.986   8.652  -6.343
   66   1HD2  LEU  10          1HD2      LEU  10  -3.795  10.464  -4.682
   67   2HD2  LEU  10          2HD2      LEU  10  -2.968  10.588  -3.127
   68   3HD2  LEU  10          3HD2      LEU  10  -2.125  11.026  -4.614
   69    H    ALA  11           H        ALA  11  -0.878   5.447  -4.609
   70    HA   ALA  11           HA       ALA  11   1.031   5.621  -2.514
   71   1HB   ALA  11          1HB       ALA  11   2.635   4.845  -4.168
   72   2HB   ALA  11          2HB       ALA  11   1.138   3.921  -4.298
   73   3HB   ALA  11          3HB       ALA  11   1.495   5.194  -5.468
   74    H    LEU  12           H        LEU  12   1.899   7.457  -1.814
   75    HA   LEU  12           HA       LEU  12   1.815   9.851  -3.425
   76   1HB   LEU  12          2HB       LEU  12   3.004   9.367  -0.695
   77    HG   LEU  12           HG       LEU  12   0.549   9.062  -0.657
   78   1HD1  LEU  12          1HD1      LEU  12   1.461  11.654   0.586
   79   2HD1  LEU  12          2HD1      LEU  12   0.075  10.684   1.087
   80   3HD1  LEU  12          3HD1      LEU  12   1.711  10.045   1.264
   81   1HD2  LEU  12          1HD2      LEU  12  -0.927  10.910  -1.211
   82   2HD2  LEU  12          2HD2      LEU  12   0.455  11.891  -1.705
   83   3HD2  LEU  12          3HD2      LEU  12   0.025  10.444  -2.620
   84    H    TYR  13           H        TYR  13   4.247   7.603  -2.281
   85    HA   TYR  13           HA       TYR  13   6.271   9.130  -3.761
   86   1HB   TYR  13          2HB       TYR  13   6.896   7.693  -1.187
   87    HD1  TYR  13           1HD      TYR  13   5.932   8.375   0.803
   88    HD2  TYR  13           2HD      TYR  13   6.364  11.220  -2.322
   89    HE1  TYR  13           1HE      TYR  13   4.910  10.088   2.232
   90    HE2  TYR  13           2HE      TYR  13   5.344  12.947  -0.906
   91    HH   TYR  13           HH       TYR  13   3.858  13.097   1.041
   92    H    ASP  14           H        ASP  14   7.923   7.853  -4.752
   93    HA   ASP  14           HA       ASP  14   7.265   5.187  -5.445
   94   1HB   ASP  14          2HB       ASP  14  10.101   6.157  -5.519
   95    H    TYR  15           H        TYR  15   7.481   3.403  -4.223
   96    HA   TYR  15           HA       TYR  15   9.316   3.571  -1.924
   97   1HB   TYR  15          2HB       TYR  15   6.916   3.527  -1.294
   98    HD1  TYR  15           1HD      TYR  15   8.858   3.614   0.528
   99    HD2  TYR  15           2HD      TYR  15   6.950   0.069  -0.842
  100    HE1  TYR  15           1HE      TYR  15   9.522   2.459   2.593
  101    HE2  TYR  15           2HE      TYR  15   7.626  -1.096   1.194
  102    HH   TYR  15           HH       TYR  15   8.870   0.545   3.930
  103    H    GLN  16           H        GLN  16  10.821   2.078  -1.711
  104    HA   GLN  16           HA       GLN  16  10.722  -0.236  -3.522
  105   1HB   GLN  16          2HB       GLN  16  12.590   1.315  -3.938
  106   1HG   GLN  16          2HG       GLN  16  14.411  -0.177  -3.970
  107   1HE2  GLN  16          1HE2      GLN  16  12.099  -2.586  -3.059
  108   2HE2  GLN  16          2HE2      GLN  16  11.655  -3.070  -4.666
  109    H    GLU  17           H        GLU  17  10.093  -2.002  -2.517
  110    HA   GLU  17           HA       GLU  17  10.047  -2.503   0.209
  111   1HB   GLU  17          2HB       GLU  17   9.677  -4.832  -0.372
  112   1HG   GLU  17          2HG       GLU  17  10.795  -4.099  -3.055
  113    H    LYS  18           H        LYS  18  11.519  -3.128   1.686
  114    HA   LYS  18           HA       LYS  18  14.255  -3.613   0.772
  115   1HB   LYS  18          2HB       LYS  18  13.450  -3.493   3.667
  116   1HG   LYS  18          2HG       LYS  18  13.863  -1.047   1.970
  117   1HD   LYS  18          2HD       LYS  18  13.603  -1.529   4.915
  118   1HE   LYS  18          2HE       LYS  18  13.285   0.952   5.122
  119   1HZ   LYS  18          1HZ       LYS  18  11.422  -0.483   5.518
  120   2HZ   LYS  18          2HZ       LYS  18  11.089  -0.607   3.859
  121   3HZ   LYS  18          3HZ       LYS  18  10.885   0.876   4.654
  122    H    SER  19           H        SER  19  11.517  -5.343   1.833
  123    HA   SER  19           HA       SER  19  13.120  -7.696   2.530
  124   1HB   SER  19          2HB       SER  19  10.735  -6.849   4.185
  125    HG   SER  19           HG       SER  19  12.032  -5.181   4.577
  126    HA   PRO  20           HA       PRO  20  10.012  -9.849   0.106
  127   1HB   PRO  20          2HB       PRO  20  10.083 -12.309   1.220
  128   1HG   PRO  20          2HG       PRO  20  11.126 -11.721   3.222
  129   1HD   PRO  20          2HD       PRO  20  12.439  -9.820   3.424
  130    H    ALA  21           H        ALA  21   8.876  -8.230   1.897
  131    HA   ALA  21           HA       ALA  21   6.420  -9.555   2.613
  132   1HB   ALA  21          1HB       ALA  21   8.079  -8.216   4.759
  133   2HB   ALA  21          2HB       ALA  21   6.430  -8.811   4.952
  134   3HB   ALA  21          3HB       ALA  21   7.744  -9.943   4.639
  135    H    GLU  22           H        GLU  22   8.410  -6.856   2.033
  136    HA   GLU  22           HA       GLU  22   6.261  -4.898   2.183
  137   1HB   GLU  22          2HB       GLU  22   9.171  -4.736   1.371
  138   1HG   GLU  22          2HG       GLU  22   7.874  -3.189   3.557
  139    H    VAL  23           H        VAL  23   5.984  -3.494   0.150
  140    HA   VAL  23           HA       VAL  23   6.518  -5.082  -2.270
  141    HB   VAL  23           HB       VAL  23   4.422  -4.970  -3.148
  142   1HG1  VAL  23          1HG1      VAL  23   3.764  -4.769  -0.229
  143   2HG1  VAL  23          2HG1      VAL  23   2.729  -5.429  -1.494
  144   3HG1  VAL  23          3HG1      VAL  23   4.242  -6.232  -1.088
  145   1HG2  VAL  23          1HG2      VAL  23   4.099  -2.636  -3.287
  146   2HG2  VAL  23          2HG2      VAL  23   2.682  -3.309  -2.478
  147   3HG2  VAL  23          3HG2      VAL  23   3.930  -2.488  -1.542
  148    H    THR  24           H        THR  24   7.125  -4.006  -4.040
  149    HA   THR  24           HA       THR  24   7.978  -1.271  -3.779
  150    HB   THR  24           HB       THR  24   7.984  -3.031  -6.241
  151    HG1  THR  24           1HG      THR  24   9.152  -3.964  -4.472
  152   1HG2  THR  24          1HG2      THR  24   9.633  -0.601  -5.532
  153   2HG2  THR  24          2HG2      THR  24   8.317  -0.645  -6.704
  154   3HG2  THR  24          3HG2      THR  24   9.790  -1.568  -7.001
  155    H    MET  25           H        MET  25   6.831   0.483  -4.347
  156    HA   MET  25           HA       MET  25   4.635   0.152  -6.260
  157   1HB   MET  25          2HB       MET  25   3.090   1.398  -4.932
  158   1HG   MET  25          2HG       MET  25   5.292   1.785  -2.913
  159   1HE   MET  25          1HE       MET  25   4.067   4.507  -1.761
  160   2HE   MET  25          2HE       MET  25   3.240   3.900  -0.326
  161   3HE   MET  25          3HE       MET  25   4.831   3.275  -0.758
  162    H    LYS  26           H        LYS  26   4.351   1.777  -7.647
  163    HA   LYS  26           HA       LYS  26   6.279   3.995  -7.568
  164   1HB   LYS  26          2HB       LYS  26   6.284   2.746  -9.625
  165   1HG   LYS  26          2HG       LYS  26   5.453   4.300 -11.342
  166   1HD   LYS  26          2HD       LYS  26   6.818   6.222 -10.721
  167   1HE   LYS  26          2HE       LYS  26   8.002   3.633  -9.732
  168   1HZ   LYS  26          1HZ       LYS  26   9.215   5.791  -9.245
  169   2HZ   LYS  26          2HZ       LYS  26   9.465   5.908 -10.918
  170   3HZ   LYS  26          3HZ       LYS  26  10.084   4.581 -10.058
  171    H    LYS  27           H        LYS  27   5.598   6.053  -7.228
  172    HA   LYS  27           HA       LYS  27   3.050   6.507  -6.142
  173   1HB   LYS  27          2HB       LYS  27   3.713   8.669  -5.705
  174   1HG   LYS  27          2HG       LYS  27   4.035   9.342  -8.104
  175   1HD   LYS  27          2HD       LYS  27   6.743   8.188  -7.533
  176   1HE   LYS  27          2HE       LYS  27   6.083  10.165  -9.706
  177   1HZ   LYS  27          1HZ       LYS  27   8.633  10.114  -9.772
  178   2HZ   LYS  27          2HZ       LYS  27   7.785   8.844 -10.494
  179   3HZ   LYS  27          3HZ       LYS  27   8.488   8.624  -8.968
  180    H    GLY  28           H        GLY  28   1.299   7.662  -6.872
  181   1HA   GLY  28          1HA       GLY  28  -0.010   8.677  -8.589
  182   2HA   GLY  28          2HA       GLY  28   1.119   8.047  -9.782
  183    H    ASP  29           H        ASP  29   1.087   5.415  -8.309
  184    HA   ASP  29           HA       ASP  29  -1.146   4.264  -9.708
  185   1HB   ASP  29          2HB       ASP  29   1.101   3.141  -8.065
  186    H    ILE  30           H        ILE  30  -2.869   3.161  -8.822
  187    HA   ILE  30           HA       ILE  30  -3.588   4.041  -6.106
  188    HB   ILE  30           HB       ILE  30  -5.456   2.955  -8.217
  189   1HG1  ILE  30          2HG1      ILE  30  -4.457   4.988  -9.107
  190   1HG2  ILE  30          1HG2      ILE  30  -5.967   4.523  -5.691
  191   2HG2  ILE  30          2HG2      ILE  30  -7.195   4.005  -6.847
  192   3HG2  ILE  30          3HG2      ILE  30  -6.281   2.805  -5.934
  193   1HD1  ILE  30          1HD1      ILE  30  -4.689   7.142  -8.002
  194   2HD1  ILE  30          2HD1      ILE  30  -5.320   6.339  -6.564
  195   3HD1  ILE  30          3HD1      ILE  30  -3.659   6.049  -7.077
  196    H    LEU  31           H        LEU  31  -3.324   2.528  -4.586
  197    HA   LEU  31           HA       LEU  31  -3.238  -0.291  -5.425
  198   1HB   LEU  31          2HB       LEU  31  -2.531   0.489  -2.654
  199    HG   LEU  31           HG       LEU  31  -1.238   2.221  -3.680
  200   1HD1  LEU  31          1HD1      LEU  31   1.007   1.453  -3.184
  201   2HD1  LEU  31          2HD1      LEU  31  -0.144   0.821  -2.003
  202   3HD1  LEU  31          3HD1      LEU  31   0.463  -0.225  -3.288
  203   1HD2  LEU  31          1HD2      LEU  31  -1.371   1.427  -6.010
  204   2HD2  LEU  31          2HD2      LEU  31   0.278   1.842  -5.532
  205   3HD2  LEU  31          3HD2      LEU  31  -0.219   0.152  -5.620
  206    H    THR  32           H        THR  32  -4.261  -1.887  -4.012
  207    HA   THR  32           HA       THR  32  -6.766  -0.907  -2.887
  208    HB   THR  32           HB       THR  32  -5.787  -3.722  -3.406
  209    HG1  THR  32           1HG      THR  32  -7.014  -3.607  -5.209
  210   1HG2  THR  32          1HG2      THR  32  -8.039  -4.464  -2.872
  211   2HG2  THR  32          2HG2      THR  32  -8.536  -2.809  -2.513
  212   3HG2  THR  32          3HG2      THR  32  -7.347  -3.626  -1.483
  213    H    LEU  33           H        LEU  33  -7.158  -0.792  -0.760
  214    HA   LEU  33           HA       LEU  33  -4.997  -1.306   1.066
  215   1HB   LEU  33          2HB       LEU  33  -7.198   0.432   1.043
  216    HG   LEU  33           HG       LEU  33  -5.275   1.300   2.016
  217   1HD1  LEU  33          1HD1      LEU  33  -5.901   1.826   4.356
  218   2HD1  LEU  33          2HD1      LEU  33  -7.202   2.084   3.190
  219   3HD1  LEU  33          3HD1      LEU  33  -7.208   0.654   4.225
  220   1HD2  LEU  33          1HD2      LEU  33  -5.237  -1.051   3.900
  221   2HD2  LEU  33          2HD2      LEU  33  -4.147  -0.787   2.540
  222   3HD2  LEU  33          3HD2      LEU  33  -4.110   0.306   3.925
  223    H    LEU  34           H        LEU  34  -4.763  -2.979   2.349
  224    HA   LEU  34           HA       LEU  34  -6.900  -4.999   2.443
  225   1HB   LEU  34          2HB       LEU  34  -3.901  -5.288   2.475
  226    HG   LEU  34           HG       LEU  34  -4.828  -4.949   0.208
  227   1HD1  LEU  34          1HD1      LEU  34  -2.845  -6.331   0.552
  228   2HD1  LEU  34          2HD1      LEU  34  -3.871  -7.753   0.737
  229   3HD1  LEU  34          3HD1      LEU  34  -3.813  -6.904  -0.807
  230   1HD2  LEU  34          1HD2      LEU  34  -7.058  -5.846   0.531
  231   2HD2  LEU  34          2HD2      LEU  34  -6.237  -6.673  -0.793
  232   3HD2  LEU  34          3HD2      LEU  34  -6.393  -7.462   0.779
  233    H    ASN  35           H        ASN  35  -4.625  -3.103   4.254
  234    HA   ASN  35           HA       ASN  35  -5.987  -3.776   6.717
  235   1HB   ASN  35          2HB       ASN  35  -4.489  -5.411   7.200
  236   1HD2  ASN  35          1HD2      ASN  35  -1.876  -3.111   6.812
  237   2HD2  ASN  35          2HD2      ASN  35  -1.586  -2.894   8.502
  238    H    SER  36           H        SER  36  -6.103  -2.035   8.023
  239    HA   SER  36           HA       SER  36  -4.018   0.018   7.797
  240   1HB   SER  36          2HB       SER  36  -5.923   1.703   8.164
  241    HG   SER  36           HG       SER  36  -7.874   0.944   8.201
  242    H    THR  37           H        THR  37  -5.086  -2.225   9.744
  243    HA   THR  37           HA       THR  37  -5.720  -0.638  12.087
  244    HB   THR  37           HB       THR  37  -6.911  -2.796  11.591
  245    HG1  THR  37           1HG      THR  37  -7.094  -2.129  13.673
  246   1HG2  THR  37          1HG2      THR  37  -5.802  -4.898  12.189
  247   2HG2  THR  37          2HG2      THR  37  -4.292  -4.030  12.457
  248   3HG2  THR  37          3HG2      THR  37  -4.982  -4.114  10.837
  249    H    ASN  38           H        ASN  38  -2.950  -1.810  10.589
  250    HA   ASN  38           HA       ASN  38  -1.400  -1.932  13.065
  251   1HB   ASN  38          2HB       ASN  38  -1.039  -3.621  11.222
  252   1HD2  ASN  38          1HD2      ASN  38   1.554  -3.423  10.076
  253   2HD2  ASN  38          2HD2      ASN  38   2.687  -3.409  11.389
  254    H    LYS  39           H        LYS  39  -0.543  -0.155  13.842
  255    HA   LYS  39           HA       LYS  39  -0.832   2.336  12.582
  256   1HB   LYS  39          2HB       LYS  39   0.314   3.302  14.469
  257   1HG   LYS  39          2HG       LYS  39   1.096   0.537  15.390
  258   1HD   LYS  39          2HD       LYS  39   1.839   3.228  16.504
  259   1HE   LYS  39          2HE       LYS  39   2.036   0.454  17.672
  260   1HZ   LYS  39          1HZ       LYS  39   3.326   2.932  18.649
  261   2HZ   LYS  39          2HZ       LYS  39   3.161   1.447  19.451
  262   3HZ   LYS  39          3HZ       LYS  39   1.804   2.432  19.206
  263    H    ASP  40           H        ASP  40   1.664   0.036  12.223
  264    HA   ASP  40           HA       ASP  40   3.526   2.090  11.249
  265   1HB   ASP  40          2HB       ASP  40   3.915  -0.677  12.317
  266    H    TRP  41           H        TRP  41   2.669  -1.252  10.394
  267    HA   TRP  41           HA       TRP  41   3.274  -0.579   7.605
  268   1HB   TRP  41          2HB       TRP  41   3.362  -3.213   9.079
  269    HD1  TRP  41           HD       TRP  41   5.389  -2.538  10.634
  270    HE1  TRP  41           1HE      TRP  41   7.848  -1.961  10.154
  271    HE3  TRP  41           3HE      TRP  41   5.097  -1.899   5.577
  272    HZ2  TRP  41           2HZ      TRP  41   9.453  -1.317   7.926
  273    HZ3  TRP  41           3HZ      TRP  41   7.142  -1.296   4.345
  274    HH2  TRP  41           HH       TRP  41   9.275  -1.011   5.497
  275    H    TRP  42           H        TRP  42   1.572  -0.272   6.380
  276    HA   TRP  42           HA       TRP  42  -0.939  -1.635   6.939
  277   1HB   TRP  42          2HB       TRP  42  -0.113   0.518   5.012
  278    HD1  TRP  42           HD       TRP  42  -0.980   0.064   8.444
  279    HE1  TRP  42           1HE      TRP  42  -2.270   2.079   9.399
  280    HE3  TRP  42           3HE      TRP  42  -2.338   2.236   4.073
  281    HZ2  TRP  42           2HZ      TRP  42  -3.685   4.319   8.399
  282    HZ3  TRP  42           3HZ      TRP  42  -3.656   4.327   4.126
  283    HH2  TRP  42           HH       TRP  42  -4.316   5.344   6.254
  284    H    LYS  43           H        LYS  43  -2.067  -2.695   5.078
  285    HA   LYS  43           HA       LYS  43  -0.106  -4.225   3.489
  286   1HB   LYS  43          2HB       LYS  43  -1.528  -5.434   5.309
  287   1HG   LYS  43          2HG       LYS  43  -1.629  -6.526   2.516
  288   1HD   LYS  43          2HD       LYS  43  -1.477  -7.910   5.199
  289   1HE   LYS  43          2HE       LYS  43  -1.908  -9.946   3.948
  290   1HZ   LYS  43          1HZ       LYS  43   0.408  -9.420   4.239
  291   2HZ   LYS  43          2HZ       LYS  43   0.409  -8.462   2.840
  292   3HZ   LYS  43          3HZ       LYS  43   0.176 -10.134   2.718
  293    H    VAL  44           H        VAL  44  -0.296  -4.077   1.360
  294    HA   VAL  44           HA       VAL  44  -2.840  -3.158   0.223
  295    HB   VAL  44           HB       VAL  44  -1.589  -1.651  -1.331
  296   1HG1  VAL  44          1HG1      VAL  44  -1.358  -0.964   1.599
  297   2HG1  VAL  44          2HG1      VAL  44  -1.329   0.187   0.262
  298   3HG1  VAL  44          3HG1      VAL  44  -2.789  -0.745   0.592
  299   1HG2  VAL  44          1HG2      VAL  44   0.691  -2.118   0.594
  300   2HG2  VAL  44          2HG2      VAL  44   0.624  -2.644  -1.090
  301   3HG2  VAL  44          3HG2      VAL  44   0.666  -0.923  -0.706
  302    H    GLU  45           H        GLU  45  -3.062  -3.609  -2.046
  303    HA   GLU  45           HA       GLU  45  -1.281  -5.772  -2.952
  304   1HB   GLU  45          2HB       GLU  45  -3.627  -6.467  -2.695
  305   1HG   GLU  45          2HG       GLU  45  -2.649  -6.277  -5.537
  306    H    VAL  46           H        VAL  46   0.070  -5.249  -4.489
  307    HA   VAL  46           HA       VAL  46  -0.769  -3.370  -6.583
  308    HB   VAL  46           HB       VAL  46   2.094  -3.300  -5.874
  309   1HG1  VAL  46          1HG1      VAL  46   1.650  -0.810  -6.225
  310   2HG1  VAL  46          2HG1      VAL  46   1.496  -1.880  -7.622
  311   3HG1  VAL  46          3HG1      VAL  46   0.054  -1.314  -6.779
  312   1HG2  VAL  46          1HG2      VAL  46   0.068  -1.972  -4.097
  313   2HG2  VAL  46          2HG2      VAL  46   1.194  -3.250  -3.637
  314   3HG2  VAL  46          3HG2      VAL  46   1.804  -1.654  -4.076
  315    H    ASN  47           H        ASN  47  -0.229  -4.053  -8.587
  316    HA   ASN  47           HA       ASN  47   0.225  -5.473 -10.240
  317   1HB   ASN  47          2HB       ASN  47   2.514  -6.414 -10.443
  318   1HD2  ASN  47          1HD2      ASN  47   3.481  -3.955  -8.271
  319   2HD2  ASN  47          2HD2      ASN  47   4.386  -4.970  -7.192
  320    H    ASP  48           H        ASP  48   1.892  -7.499  -7.853
  321    HA   ASP  48           HA       ASP  48  -0.311  -9.380  -7.861
  322   1HB   ASP  48          2HB       ASP  48   2.030  -9.728  -9.515
  323    H    ARG  49           H        ARG  49   1.591  -7.618  -6.134
  324    HA   ARG  49           HA       ARG  49   2.375  -9.727  -4.249
  325   1HB   ARG  49          2HB       ARG  49   4.245  -8.518  -5.433
  326   1HG   ARG  49          2HG       ARG  49   4.681  -7.568  -2.717
  327   1HD   ARG  49          2HD       ARG  49   6.600  -9.172  -2.901
  328    HE   ARG  49           HE       ARG  49   7.116  -6.964  -3.722
  329   1HH1  ARG  49          2HH1      ARG  49   6.126  -9.222  -6.220
  330   2HH1  ARG  49          1HH1      ARG  49   6.990  -8.398  -7.485
  331   1HH2  ARG  49          2HH2      ARG  49   8.258  -5.906  -5.343
  332   2HH2  ARG  49          1HH2      ARG  49   8.223  -6.503  -6.978
  333    H    GLN  50           H        GLN  50   0.931  -9.714  -2.651
  334    HA   GLN  50           HA       GLN  50  -0.120  -7.156  -1.670
  335   1HB   GLN  50          2HB       GLN  50  -0.872  -9.935  -0.727
  336   1HG   GLN  50          2HG       GLN  50  -2.412  -8.377  -2.785
  337   1HE2  GLN  50          1HE2      GLN  50  -4.210  -9.488  -3.578
  338   2HE2  GLN  50          2HE2      GLN  50  -4.906 -10.829  -2.718
  339    H    GLY  51           H        GLY  51   1.343  -6.248  -0.372
  340   1HA   GLY  51          1HA       GLY  51   2.365  -7.846   1.875
  341   2HA   GLY  51          2HA       GLY  51   3.499  -6.972   0.853
  342    H    PHE  52           H        PHE  52   4.212  -5.727   2.602
  343    HA   PHE  52           HA       PHE  52   2.202  -3.921   3.752
  344   1HB   PHE  52          2HB       PHE  52   4.845  -4.899   4.823
  345    HD1  PHE  52           1HD      PHE  52   1.501  -4.077   6.231
  346    HD2  PHE  52           2HD      PHE  52   4.445  -7.062   5.506
  347    HE1  PHE  52           1HE      PHE  52   0.180  -5.691   7.535
  348    HE2  PHE  52           2HE      PHE  52   3.133  -8.682   6.805
  349    HZ   PHE  52           HZ       PHE  52   1.002  -7.976   7.860
  350    H    VAL  53           H        VAL  53   2.523  -1.781   3.902
  351    HA   VAL  53           HA       VAL  53   5.014  -0.595   2.882
  352    HB   VAL  53           HB       VAL  53   3.718   1.242   1.825
  353   1HG1  VAL  53          1HG1      VAL  53   4.614  -0.546   0.455
  354   2HG1  VAL  53          2HG1      VAL  53   3.145  -1.491   0.711
  355   3HG1  VAL  53          3HG1      VAL  53   3.072   0.024  -0.190
  356   1HG2  VAL  53          1HG2      VAL  53   1.345  -0.558   2.292
  357   2HG2  VAL  53          2HG2      VAL  53   1.633   1.011   3.044
  358   3HG2  VAL  53          3HG2      VAL  53   1.344   0.905   1.307
  359    HA   PRO  54           HA       PRO  54   4.686   1.959   6.516
  360   1HB   PRO  54          2HB       PRO  54   5.551   4.368   5.505
  361   1HG   PRO  54          2HG       PRO  54   5.728   3.808   3.275
  362   1HD   PRO  54          2HD       PRO  54   5.581   1.624   2.551
  363    H    ALA  55           H        ALA  55   2.972   2.911   7.395
  364    HA   ALA  55           HA       ALA  55   0.698   3.593   5.861
  365   1HB   ALA  55          1HB       ALA  55  -0.312   4.180   7.980
  366   2HB   ALA  55          2HB       ALA  55   0.610   2.685   8.134
  367   3HB   ALA  55          3HB       ALA  55   1.272   4.195   8.757
  368    H    ALA  56           H        ALA  56   3.440   5.361   6.190
  369    HA   ALA  56           HA       ALA  56   2.019   7.936   6.108
  370   1HB   ALA  56          1HB       ALA  56   4.919   7.392   6.740
  371   2HB   ALA  56          2HB       ALA  56   4.129   8.968   6.753
  372   3HB   ALA  56          3HB       ALA  56   3.652   7.734   7.919
  373    H    TYR  57           H        TYR  57   2.777   5.794   3.976
  374    HA   TYR  57           HA       TYR  57   4.060   7.675   2.103
  375   1HB   TYR  57          2HB       TYR  57   4.495   4.797   2.572
  376    HD1  TYR  57           1HD      TYR  57   6.626   5.161   0.155
  377    HD2  TYR  57           2HD      TYR  57   5.793   7.143   3.823
  378    HE1  TYR  57           1HE      TYR  57   8.964   5.916   0.269
  379    HE2  TYR  57           2HE      TYR  57   8.128   7.902   3.950
  380    HH   TYR  57           HH       TYR  57  10.289   7.659   1.302
  381    H    VAL  58           H        VAL  58   1.284   5.793   2.733
  382    HA   VAL  58           HA       VAL  58   0.311   6.357   0.021
  383    HB   VAL  58           HB       VAL  58  -1.381   4.605   0.376
  384   1HG1  VAL  58          1HG1      VAL  58   0.718   4.048  -0.733
  385   2HG1  VAL  58          2HG1      VAL  58   1.455   3.679   0.829
  386   3HG1  VAL  58          3HG1      VAL  58   0.132   2.683   0.218
  387   1HG2  VAL  58          1HG2      VAL  58  -1.524   4.709   2.818
  388   2HG2  VAL  58          2HG2      VAL  58  -1.197   3.067   2.267
  389   3HG2  VAL  58          3HG2      VAL  58   0.106   4.042   2.943
  390    H    LYS  59           H        LYS  59  -1.736   7.248  -0.227
  391    HA   LYS  59           HA       LYS  59  -2.710   8.685   2.156
  392   1HB   LYS  59          2HB       LYS  59  -1.827  10.126   0.357
  393   1HG   LYS  59          2HG       LYS  59  -4.815  10.287   0.661
  394   1HD   LYS  59          2HD       LYS  59  -2.863  12.320  -0.419
  395   1HE   LYS  59          2HE       LYS  59  -4.900  13.702  -0.754
  396   1HZ   LYS  59          1HZ       LYS  59  -3.568  14.242   1.121
  397   2HZ   LYS  59          2HZ       LYS  59  -4.210  12.972   2.041
  398   3HZ   LYS  59          3HZ       LYS  59  -5.186  14.294   1.626
  399    H    LYS  60           H        LYS  60  -4.859   8.628   2.650
  400    HA   LYS  60           HA       LYS  60  -6.411   6.473   1.585
  401   1HB   LYS  60          2HB       LYS  60  -7.188   8.741   3.431
  402   1HG   LYS  60          2HG       LYS  60  -5.594   6.864   4.246
  403   1HD   LYS  60          2HD       LYS  60  -6.720   4.921   3.434
  404   1HE   LYS  60          2HE       LYS  60  -9.150   5.848   4.953
  405   1HZ   LYS  60          1HZ       LYS  60 -10.270   4.015   3.916
  406   2HZ   LYS  60          2HZ       LYS  60  -8.965   3.441   4.840
  407   3HZ   LYS  60          3HZ       LYS  60  -8.839   3.526   3.154
  408    H    LEU  61           H        LEU  61  -7.204   6.604  -0.430
  409    HA   LEU  61           HA       LEU  61  -8.390   9.092  -1.375
  410   1HB   LEU  61          2HB       LEU  61  -8.249   6.324  -2.592
  411    HG   LEU  61           HG       LEU  61  -6.056   7.560  -2.658
  412   1HD1  LEU  61          1HD1      LEU  61  -5.713   7.203  -5.048
  413   2HD1  LEU  61          2HD1      LEU  61  -6.649   5.890  -4.333
  414   3HD1  LEU  61          3HD1      LEU  61  -7.456   7.129  -5.296
  415   1HD2  LEU  61          1HD2      LEU  61  -6.798   9.844  -2.797
  416   2HD2  LEU  61          2HD2      LEU  61  -5.911   9.446  -4.263
  417   3HD2  LEU  61          3HD2      LEU  61  -7.672   9.518  -4.294
  418    H    ASP  62           H        ASP  62  -9.172   7.233   0.909
  419    HA   ASP  62           HA       ASP  62 -11.992   6.778   0.243
  420   1HB   ASP  62          2HB       ASP  62 -10.869   4.711   0.737
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -7.146 -10.189  -5.198
    2   2H    MET   1          2H        MET   1  -5.796  -9.517  -4.419
    3   3H    MET   1          3H        MET   1  -7.348  -9.326  -3.752
    4    HA   MET   1           HA       MET   1  -6.026 -11.944  -4.155
    5   1HB   MET   1          2HB       MET   1  -5.304 -11.977  -1.917
    6   1HG   MET   1          2HG       MET   1  -6.701  -9.371  -1.362
    7   1HE   MET   1          1HE       MET   1  -7.084  -8.887   1.345
    8   2HE   MET   1          2HE       MET   1  -7.436 -10.586   1.654
    9   3HE   MET   1          3HE       MET   1  -6.197  -9.757   2.597
   10    H    ASP   2           H        ASP   2  -8.706 -10.042  -2.855
   11    HA   ASP   2           HA       ASP   2 -10.575 -12.107  -2.934
   12   1HB   ASP   2          2HB       ASP   2  -9.879 -13.373  -1.165
   13    H    GLU   3           H        GLU   3  -9.538  -9.073  -1.516
   14    HA   GLU   3           HA       GLU   3 -10.491  -7.079  -1.432
   15   1HB   GLU   3          2HB       GLU   3 -12.251  -8.403  -3.461
   16   1HG   GLU   3          2HG       GLU   3 -11.134  -6.807  -4.979
   17    H    THR   4           H        THR   4 -11.785  -9.369   0.410
   18    HA   THR   4           HA       THR   4 -14.090  -7.888   1.262
   19    HB   THR   4           HB       THR   4 -12.383  -9.488   3.196
   20    HG1  THR   4           1HG      THR   4 -14.507 -10.803   2.044
   21   1HG2  THR   4          1HG2      THR   4 -15.351  -8.932   3.017
   22   2HG2  THR   4          2HG2      THR   4 -14.223  -8.184   4.149
   23   3HG2  THR   4          3HG2      THR   4 -14.557  -9.913   4.249
   24    H    GLY   5           H        GLY   5 -11.048  -6.847   0.985
   25   1HA   GLY   5          1HA       GLY   5 -11.562  -4.611   2.780
   26   2HA   GLY   5          2HA       GLY   5  -9.998  -5.421   2.885
   27    H    LYS   6           H        LYS   6 -11.302  -2.762   1.657
   28    HA   LYS   6           HA       LYS   6  -9.648  -2.859  -0.749
   29   1HB   LYS   6          2HB       LYS   6 -11.931  -3.280  -1.442
   30   1HG   LYS   6          2HG       LYS   6 -12.211  -1.669  -3.113
   31   1HD   LYS   6          2HD       LYS   6  -9.925  -1.209  -3.963
   32   1HE   LYS   6          2HE       LYS   6  -9.289  -3.572  -4.212
   33   1HZ   LYS   6          1HZ       LYS   6 -11.286  -2.552  -5.409
   34   2HZ   LYS   6          2HZ       LYS   6 -12.244  -3.465  -4.348
   35   3HZ   LYS   6          3HZ       LYS   6 -11.161  -4.240  -5.395
   36    H    GLU   7           H        GLU   7 -11.763  -0.267   0.118
   37    HA   GLU   7           HA       GLU   7 -11.456   1.823   0.937
   38   1HB   GLU   7          2HB       GLU   7  -9.007   0.508   2.009
   39   1HG   GLU   7          2HG       GLU   7 -11.163   2.174   3.262
   40    H    LEU   8           H        LEU   8  -8.795   0.545  -0.974
   41    HA   LEU   8           HA       LEU   8  -7.503   1.369  -2.624
   42   1HB   LEU   8          2HB       LEU   8  -9.685   3.441  -2.787
   43    HG   LEU   8           HG       LEU   8 -10.339   1.157  -3.540
   44   1HD1  LEU   8          1HD1      LEU   8 -11.194   1.877  -5.730
   45   2HD1  LEU   8          2HD1      LEU   8 -11.404   3.119  -4.496
   46   3HD1  LEU   8          3HD1      LEU   8 -10.109   3.265  -5.686
   47   1HD2  LEU   8          1HD2      LEU   8  -8.217   0.316  -4.316
   48   2HD2  LEU   8          2HD2      LEU   8  -9.345   0.346  -5.669
   49   3HD2  LEU   8          3HD2      LEU   8  -8.108   1.595  -5.525
   50    H    VAL   9           H        VAL   9  -5.565   2.181  -2.272
   51    HA   VAL   9           HA       VAL   9  -5.409   4.808  -0.963
   52    HB   VAL   9           HB       VAL   9  -3.068   4.050  -0.194
   53   1HG1  VAL   9          1HG1      VAL   9  -4.008   3.073   1.873
   54   2HG1  VAL   9          2HG1      VAL   9  -4.840   4.540   1.357
   55   3HG1  VAL   9          3HG1      VAL   9  -5.574   2.962   1.071
   56   1HG2  VAL   9          1HG2      VAL   9  -2.948   1.970  -1.440
   57   2HG2  VAL   9          2HG2      VAL   9  -2.877   1.652   0.298
   58   3HG2  VAL   9          3HG2      VAL   9  -4.372   1.360  -0.594
   59    H    LEU  10           H        LEU  10  -3.918   6.225  -1.671
   60    HA   LEU  10           HA       LEU  10  -2.889   5.691  -4.357
   61   1HB   LEU  10          2HB       LEU  10  -4.184   7.566  -4.537
   62    HG   LEU  10           HG       LEU  10  -1.503   8.636  -3.772
   63   1HD1  LEU  10          1HD1      LEU  10  -1.381   9.145  -6.152
   64   2HD1  LEU  10          2HD1      LEU  10  -1.692   7.431  -5.875
   65   3HD1  LEU  10          3HD1      LEU  10  -3.006   8.494  -6.373
   66   1HD2  LEU  10          1HD2      LEU  10  -3.880  10.230  -4.707
   67   2HD2  LEU  10          2HD2      LEU  10  -3.131  10.317  -3.111
   68   3HD2  LEU  10          3HD2      LEU  10  -2.230  10.836  -4.536
   69    H    ALA  11           H        ALA  11  -0.774   5.364  -4.601
   70    HA   ALA  11           HA       ALA  11   1.057   5.636  -2.438
   71   1HB   ALA  11          1HB       ALA  11   1.267   3.912  -4.204
   72   2HB   ALA  11          2HB       ALA  11   1.650   5.183  -5.366
   73   3HB   ALA  11          3HB       ALA  11   2.738   4.873  -4.012
   74    H    LEU  12           H        LEU  12   1.923   7.494  -1.756
   75    HA   LEU  12           HA       LEU  12   1.796   9.868  -3.420
   76   1HB   LEU  12          2HB       LEU  12   2.951   9.496  -0.650
   77    HG   LEU  12           HG       LEU  12   0.516   9.064  -0.638
   78   1HD1  LEU  12          1HD1      LEU  12   1.331  11.708   0.550
   79   2HD1  LEU  12          2HD1      LEU  12  -0.066  10.746   1.036
   80   3HD1  LEU  12          3HD1      LEU  12   1.565  10.120   1.280
   81   1HD2  LEU  12          1HD2      LEU  12  -0.073  10.359  -2.634
   82   2HD2  LEU  12          2HD2      LEU  12  -1.038  10.843  -1.240
   83   3HD2  LEU  12          3HD2      LEU  12   0.306  11.852  -1.775
   84    H    TYR  13           H        TYR  13   4.229   7.763  -2.055
   85    HA   TYR  13           HA       TYR  13   6.273   9.185  -3.608
   86   1HB   TYR  13          2HB       TYR  13   6.899   7.789  -1.017
   87    HD1  TYR  13           1HD      TYR  13   5.973   8.419   0.960
   88    HD2  TYR  13           2HD      TYR  13   6.224  11.311  -2.135
   89    HE1  TYR  13           1HE      TYR  13   4.940  10.081   2.444
   90    HE2  TYR  13           2HE      TYR  13   5.201  12.988  -0.665
   91    HH   TYR  13           HH       TYR  13   4.597  12.333   2.728
   92    H    ASP  14           H        ASP  14   7.901   7.813  -4.525
   93    HA   ASP  14           HA       ASP  14   7.011   5.167  -5.121
   94   1HB   ASP  14          2HB       ASP  14   9.017   4.969  -6.444
   95    H    TYR  15           H        TYR  15   7.730   3.222  -4.318
   96    HA   TYR  15           HA       TYR  15   9.461   3.401  -1.946
   97   1HB   TYR  15          2HB       TYR  15   7.053   3.348  -1.298
   98    HD1  TYR  15           1HD      TYR  15   9.087   3.425   0.478
   99    HD2  TYR  15           2HD      TYR  15   7.049  -0.078  -0.794
  100    HE1  TYR  15           1HE      TYR  15   9.789   2.276   2.529
  101    HE2  TYR  15           2HE      TYR  15   7.752  -1.242   1.235
  102    HH   TYR  15           HH       TYR  15   9.086   0.366   3.923
  103    H    GLN  16           H        GLN  16  11.077   2.037  -1.999
  104    HA   GLN  16           HA       GLN  16  10.830  -0.392  -3.620
  105   1HB   GLN  16          2HB       GLN  16  12.756   1.073  -4.113
  106   1HG   GLN  16          2HG       GLN  16  14.494  -0.516  -4.129
  107   1HE2  GLN  16          1HE2      GLN  16  12.100  -2.778  -3.074
  108   2HE2  GLN  16          2HE2      GLN  16  11.581  -3.289  -4.649
  109    H    GLU  17           H        GLU  17  10.088  -2.029  -2.512
  110    HA   GLU  17           HA       GLU  17   9.969  -2.459   0.190
  111   1HB   GLU  17          2HB       GLU  17   9.652  -4.822  -0.328
  112   1HG   GLU  17          2HG       GLU  17  10.802  -4.141  -3.015
  113    H    LYS  18           H        LYS  18  11.338  -3.061   1.773
  114    HA   LYS  18           HA       LYS  18  14.129  -3.579   1.006
  115   1HB   LYS  18          2HB       LYS  18  12.913  -2.859   3.692
  116   1HG   LYS  18          2HG       LYS  18  14.943  -1.310   2.082
  117   1HD   LYS  18          2HD       LYS  18  13.388  -0.584   4.558
  118   1HE   LYS  18          2HE       LYS  18  15.524   0.872   3.008
  119   1HZ   LYS  18          1HZ       LYS  18  15.773   1.115   5.426
  120   2HZ   LYS  18          2HZ       LYS  18  14.179   1.688   5.530
  121   3HZ   LYS  18          3HZ       LYS  18  15.346   2.573   4.675
  122    H    SER  19           H        SER  19  11.399  -5.286   1.758
  123    HA   SER  19           HA       SER  19  12.931  -7.701   2.222
  124   1HB   SER  19          2HB       SER  19  11.598  -8.346   4.198
  125    HG   SER  19           HG       SER  19  10.588  -5.692   4.222
  126    HA   PRO  20           HA       PRO  20   9.833  -9.327  -0.513
  127   1HB   PRO  20          2HB       PRO  20   9.512 -11.872   0.482
  128   1HG   PRO  20          2HG       PRO  20  10.801 -11.674   2.393
  129   1HD   PRO  20          2HD       PRO  20  12.244  -9.901   2.730
  130    H    ALA  21           H        ALA  21   9.205  -8.912   2.789
  131    HA   ALA  21           HA       ALA  21   6.415  -9.712   2.624
  132   1HB   ALA  21          1HB       ALA  21   6.273  -8.983   4.951
  133   2HB   ALA  21          2HB       ALA  21   7.636 -10.076   4.719
  134   3HB   ALA  21          3HB       ALA  21   7.912  -8.341   4.860
  135    H    GLU  22           H        GLU  22   8.347  -7.044   1.939
  136    HA   GLU  22           HA       GLU  22   6.162  -5.100   2.079
  137   1HB   GLU  22          2HB       GLU  22   9.103  -4.862   1.428
  138   1HG   GLU  22          2HG       GLU  22   7.638  -3.382   3.556
  139    H    VAL  23           H        VAL  23   6.041  -3.644   0.028
  140    HA   VAL  23           HA       VAL  23   6.565  -5.282  -2.363
  141    HB   VAL  23           HB       VAL  23   4.502  -4.983  -3.317
  142   1HG1  VAL  23          1HG1      VAL  23   4.237  -6.402  -1.391
  143   2HG1  VAL  23          2HG1      VAL  23   3.857  -5.002  -0.390
  144   3HG1  VAL  23          3HG1      VAL  23   2.769  -5.474  -1.691
  145   1HG2  VAL  23          1HG2      VAL  23   4.046  -2.630  -1.513
  146   2HG2  VAL  23          2HG2      VAL  23   4.338  -2.603  -3.250
  147   3HG2  VAL  23          3HG2      VAL  23   2.843  -3.290  -2.616
  148    H    THR  24           H        THR  24   7.142  -4.217  -4.204
  149    HA   THR  24           HA       THR  24   8.117  -1.511  -3.934
  150    HB   THR  24           HB       THR  24   8.071  -3.233  -6.423
  151    HG1  THR  24           1HG      THR  24   9.187  -4.147  -4.495
  152   1HG2  THR  24          1HG2      THR  24   9.776  -0.873  -5.626
  153   2HG2  THR  24          2HG2      THR  24   8.526  -0.889  -6.869
  154   3HG2  THR  24          3HG2      THR  24   9.996  -1.838  -7.082
  155    H    MET  25           H        MET  25   6.995   0.271  -4.483
  156    HA   MET  25           HA       MET  25   4.790   0.001  -6.404
  157   1HB   MET  25          2HB       MET  25   3.258   1.236  -5.042
  158   1HG   MET  25          2HG       MET  25   5.446   1.498  -2.991
  159   1HE   MET  25          1HE       MET  25   5.005   2.969  -0.814
  160   2HE   MET  25          2HE       MET  25   4.314   4.248  -1.811
  161   3HE   MET  25          3HE       MET  25   3.433   3.652  -0.403
  162    H    LYS  26           H        LYS  26   4.323   1.869  -7.580
  163    HA   LYS  26           HA       LYS  26   6.308   4.016  -7.327
  164   1HB   LYS  26          2HB       LYS  26   4.817   2.899  -9.679
  165   1HG   LYS  26          2HG       LYS  26   7.214   2.245  -9.088
  166   1HD   LYS  26          2HD       LYS  26   7.739   4.973 -10.277
  167   1HE   LYS  26          2HE       LYS  26  10.073   4.471  -9.883
  168   1HZ   LYS  26          1HZ       LYS  26   9.086   3.694 -12.003
  169   2HZ   LYS  26          2HZ       LYS  26   8.872   2.160 -11.311
  170   3HZ   LYS  26          3HZ       LYS  26  10.432   2.790 -11.515
  171    H    LYS  27           H        LYS  27   5.659   6.066  -7.029
  172    HA   LYS  27           HA       LYS  27   3.156   6.575  -5.920
  173   1HB   LYS  27          2HB       LYS  27   3.846   8.756  -5.617
  174   1HG   LYS  27          2HG       LYS  27   4.088   9.312  -8.037
  175   1HD   LYS  27          2HD       LYS  27   6.910   8.338  -7.588
  176   1HE   LYS  27          2HE       LYS  27   5.673   9.796  -9.916
  177   1HZ   LYS  27          1HZ       LYS  27   7.218   8.161 -10.709
  178   2HZ   LYS  27          2HZ       LYS  27   8.397   8.658  -9.595
  179   3HZ   LYS  27          3HZ       LYS  27   7.918   9.702 -10.848
  180    H    GLY  28           H        GLY  28   1.340   7.610  -6.645
  181   1HA   GLY  28          1HA       GLY  28  -0.015   8.615  -8.330
  182   2HA   GLY  28          2HA       GLY  28   1.096   7.999  -9.547
  183    H    ASP  29           H        ASP  29   1.183   5.348  -8.252
  184    HA   ASP  29           HA       ASP  29  -0.989   4.170  -9.666
  185   1HB   ASP  29          2HB       ASP  29   1.155   3.069  -7.858
  186    H    ILE  30           H        ILE  30  -2.782   3.090  -8.890
  187    HA   ILE  30           HA       ILE  30  -3.634   3.847  -6.186
  188    HB   ILE  30           HB       ILE  30  -5.323   2.675  -8.402
  189   1HG1  ILE  30          2HG1      ILE  30  -4.458   4.807  -9.171
  190   1HG2  ILE  30          1HG2      ILE  30  -6.240   2.365  -6.169
  191   2HG2  ILE  30          2HG2      ILE  30  -6.089   4.094  -5.853
  192   3HG2  ILE  30          3HG2      ILE  30  -7.208   3.519  -7.088
  193   1HD1  ILE  30          1HD1      ILE  30  -4.799   6.886  -8.016
  194   2HD1  ILE  30          2HD1      ILE  30  -5.546   6.043  -6.659
  195   3HD1  ILE  30          3HD1      ILE  30  -3.837   5.799  -7.015
  196    H    LEU  31           H        LEU  31  -3.419   2.351  -4.643
  197    HA   LEU  31           HA       LEU  31  -3.164  -0.463  -5.478
  198   1HB   LEU  31          2HB       LEU  31  -2.477   0.330  -2.714
  199    HG   LEU  31           HG       LEU  31  -1.298   2.149  -3.728
  200   1HD1  LEU  31          1HD1      LEU  31   0.960   1.552  -3.142
  201   2HD1  LEU  31          2HD1      LEU  31  -0.166   0.781  -2.022
  202   3HD1  LEU  31          3HD1      LEU  31   0.577  -0.163  -3.315
  203   1HD2  LEU  31          1HD2      LEU  31   0.281   1.880  -5.538
  204   2HD2  LEU  31          2HD2      LEU  31  -0.087   0.156  -5.639
  205   3HD2  LEU  31          3HD2      LEU  31  -1.319   1.347  -6.061
  206    H    THR  32           H        THR  32  -4.103  -2.092  -4.046
  207    HA   THR  32           HA       THR  32  -6.616  -1.227  -2.852
  208    HB   THR  32           HB       THR  32  -5.478  -3.994  -3.296
  209    HG1  THR  32           1HG      THR  32  -6.321  -3.694  -5.207
  210   1HG2  THR  32          1HG2      THR  32  -6.975  -3.869  -1.305
  211   2HG2  THR  32          2HG2      THR  32  -7.616  -4.875  -2.607
  212   3HG2  THR  32          3HG2      THR  32  -8.256  -3.247  -2.355
  213    H    LEU  33           H        LEU  33  -6.961  -1.094  -0.696
  214    HA   LEU  33           HA       LEU  33  -4.676  -1.527   1.027
  215   1HB   LEU  33          2HB       LEU  33  -6.599   0.445   0.914
  216    HG   LEU  33           HG       LEU  33  -4.589   1.053   1.918
  217   1HD1  LEU  33          1HD1      LEU  33  -5.253   1.912   4.111
  218   2HD1  LEU  33          2HD1      LEU  33  -6.477   2.175   2.872
  219   3HD1  LEU  33          3HD1      LEU  33  -6.688   0.889   4.057
  220   1HD2  LEU  33          1HD2      LEU  33  -3.834  -1.123   2.672
  221   2HD2  LEU  33          2HD2      LEU  33  -3.723   0.053   3.983
  222   3HD2  LEU  33          3HD2      LEU  33  -5.042  -1.117   3.958
  223    H    LEU  34           H        LEU  34  -4.482  -3.240   2.201
  224    HA   LEU  34           HA       LEU  34  -6.733  -5.085   2.484
  225   1HB   LEU  34          2HB       LEU  34  -3.751  -5.449   2.714
  226    HG   LEU  34           HG       LEU  34  -4.470  -5.185   0.384
  227   1HD1  LEU  34          1HD1      LEU  34  -3.572  -7.288  -0.478
  228   2HD1  LEU  34          2HD1      LEU  34  -2.625  -6.680   0.879
  229   3HD1  LEU  34          3HD1      LEU  34  -3.751  -8.016   1.117
  230   1HD2  LEU  34          1HD2      LEU  34  -6.778  -5.868   0.539
  231   2HD2  LEU  34          2HD2      LEU  34  -5.943  -6.880  -0.636
  232   3HD2  LEU  34          3HD2      LEU  34  -6.301  -7.509   0.972
  233    H    ASN  35           H        ASN  35  -4.444  -3.192   4.300
  234    HA   ASN  35           HA       ASN  35  -5.930  -3.733   6.736
  235   1HB   ASN  35          2HB       ASN  35  -4.432  -5.310   7.363
  236   1HD2  ASN  35          1HD2      ASN  35  -1.816  -3.034   6.911
  237   2HD2  ASN  35          2HD2      ASN  35  -1.574  -2.708   8.589
  238    H    SER  36           H        SER  36  -6.258  -1.899   7.767
  239    HA   SER  36           HA       SER  36  -4.151   0.144   7.725
  240   1HB   SER  36          2HB       SER  36  -6.088   1.829   7.793
  241    HG   SER  36           HG       SER  36  -7.824   0.555   6.346
  242    H    THR  37           H        THR  37  -5.421  -2.027   9.589
  243    HA   THR  37           HA       THR  37  -6.207  -0.407  11.854
  244    HB   THR  37           HB       THR  37  -7.397  -2.495  11.529
  245    HG1  THR  37           1HG      THR  37  -6.252  -3.443  13.731
  246   1HG2  THR  37          1HG2      THR  37  -5.664  -3.802  10.414
  247   2HG2  THR  37          2HG2      THR  37  -6.282  -4.671  11.821
  248   3HG2  THR  37          3HG2      THR  37  -4.723  -3.851  11.905
  249    H    ASN  38           H        ASN  38  -3.368  -1.943  10.626
  250    HA   ASN  38           HA       ASN  38  -1.880  -1.761  13.079
  251   1HB   ASN  38          2HB       ASN  38  -1.337  -3.358  11.174
  252   1HD2  ASN  38          1HD2      ASN  38   1.258  -3.013  10.185
  253   2HD2  ASN  38          2HD2      ASN  38   2.334  -2.981  11.545
  254    H    LYS  39           H        LYS  39  -0.586  -0.079  13.744
  255    HA   LYS  39           HA       LYS  39  -1.274   2.464  12.580
  256   1HB   LYS  39          2HB       LYS  39  -0.432   3.458  14.526
  257   1HG   LYS  39          2HG       LYS  39   1.197   0.985  15.071
  258   1HD   LYS  39          2HD       LYS  39   0.772   3.519  16.629
  259   1HE   LYS  39          2HE       LYS  39   3.143   3.109  16.569
  260   1HZ   LYS  39          1HZ       LYS  39   3.979   0.962  17.506
  261   2HZ   LYS  39          2HZ       LYS  39   3.331   0.871  15.939
  262   3HZ   LYS  39          3HZ       LYS  39   2.424   0.323  17.267
  263    H    ASP  40           H        ASP  40   1.240   0.276  12.068
  264    HA   ASP  40           HA       ASP  40   3.051   2.436  11.205
  265   1HB   ASP  40          2HB       ASP  40   3.715  -0.334  12.221
  266    H    TRP  41           H        TRP  41   2.748  -1.034  10.514
  267    HA   TRP  41           HA       TRP  41   3.322  -0.446   7.716
  268   1HB   TRP  41          2HB       TRP  41   3.369  -3.001   9.319
  269    HD1  TRP  41           HD       TRP  41   5.431  -2.320  10.802
  270    HE1  TRP  41           1HE      TRP  41   7.897  -1.790  10.271
  271    HE3  TRP  41           3HE      TRP  41   5.081  -1.845   5.724
  272    HZ2  TRP  41           2HZ      TRP  41   9.469  -1.230   8.006
  273    HZ3  TRP  41           3HZ      TRP  41   7.119  -1.309   4.455
  274    HH2  TRP  41           HH       TRP  41   9.264  -1.008   5.572
  275    H    TRP  42           H        TRP  42   1.711  -0.243   6.366
  276    HA   TRP  42           HA       TRP  42  -0.834  -1.565   6.924
  277   1HB   TRP  42          2HB       TRP  42  -0.002   0.604   5.013
  278    HD1  TRP  42           HD       TRP  42  -0.792   0.142   8.448
  279    HE1  TRP  42           1HE      TRP  42  -2.095   2.123   9.441
  280    HE3  TRP  42           3HE      TRP  42  -2.302   2.308   4.117
  281    HZ2  TRP  42           2HZ      TRP  42  -3.563   4.351   8.490
  282    HZ3  TRP  42           3HZ      TRP  42  -3.649   4.381   4.216
  283    HH2  TRP  42           HH       TRP  42  -4.265   5.383   6.374
  284    H    LYS  43           H        LYS  43  -1.894  -2.741   5.194
  285    HA   LYS  43           HA       LYS  43   0.091  -4.236   3.608
  286   1HB   LYS  43          2HB       LYS  43  -1.445  -5.384   5.437
  287   1HG   LYS  43          2HG       LYS  43  -1.248  -6.613   2.700
  288   1HD   LYS  43          2HD       LYS  43  -1.329  -7.866   5.448
  289   1HE   LYS  43          2HE       LYS  43  -1.761  -9.953   4.122
  290   1HZ   LYS  43          1HZ       LYS  43   0.532 -10.351   3.561
  291   2HZ   LYS  43          2HZ       LYS  43   0.447  -9.509   5.024
  292   3HZ   LYS  43          3HZ       LYS  43   0.881  -8.697   3.605
  293    H    VAL  44           H        VAL  44  -0.024  -3.971   1.484
  294    HA   VAL  44           HA       VAL  44  -2.591  -3.144   0.320
  295    HB   VAL  44           HB       VAL  44  -1.393  -1.608  -1.216
  296   1HG1  VAL  44          1HG1      VAL  44  -1.076  -0.988   1.717
  297   2HG1  VAL  44          2HG1      VAL  44  -1.023   0.198   0.413
  298   3HG1  VAL  44          3HG1      VAL  44  -2.509  -0.695   0.732
  299   1HG2  VAL  44          1HG2      VAL  44   0.959  -2.073   0.613
  300   2HG2  VAL  44          2HG2      VAL  44   0.829  -2.616  -1.060
  301   3HG2  VAL  44          3HG2      VAL  44   0.877  -0.892  -0.695
  302    H    GLU  45           H        GLU  45  -2.844  -3.675  -1.891
  303    HA   GLU  45           HA       GLU  45  -0.979  -5.752  -2.819
  304   1HB   GLU  45          2HB       GLU  45  -3.312  -6.514  -2.370
  305   1HG   GLU  45          2HG       GLU  45  -2.435  -6.599  -5.244
  306    H    VAL  46           H        VAL  46   0.205  -5.262  -4.499
  307    HA   VAL  46           HA       VAL  46  -0.730  -3.197  -6.374
  308    HB   VAL  46           HB       VAL  46   2.166  -3.405  -5.723
  309   1HG1  VAL  46          1HG1      VAL  46   1.723  -2.009  -7.547
  310   2HG1  VAL  46          2HG1      VAL  46   0.358  -1.246  -6.728
  311   3HG1  VAL  46          3HG1      VAL  46   2.003  -0.923  -6.182
  312   1HG2  VAL  46          1HG2      VAL  46   1.951  -1.680  -3.985
  313   2HG2  VAL  46          2HG2      VAL  46   0.199  -1.851  -4.069
  314   3HG2  VAL  46          3HG2      VAL  46   1.190  -3.205  -3.531
  315    H    ASN  47           H        ASN  47  -0.567  -3.791  -8.424
  316    HA   ASN  47           HA       ASN  47  -0.346  -5.042 -10.251
  317   1HB   ASN  47          2HB       ASN  47   1.817  -5.858 -10.938
  318   1HD2  ASN  47          1HD2      ASN  47   3.293  -4.107  -8.385
  319   2HD2  ASN  47          2HD2      ASN  47   4.233  -5.415  -7.740
  320    H    ASP  48           H        ASP  48   1.266  -7.120  -7.845
  321    HA   ASP  48           HA       ASP  48  -0.885  -9.002  -7.914
  322   1HB   ASP  48          2HB       ASP  48   0.314  -9.671  -9.957
  323    H    ARG  49           H        ARG  49   1.631  -7.465  -6.449
  324    HA   ARG  49           HA       ARG  49   2.184  -9.651  -4.589
  325   1HB   ARG  49          2HB       ARG  49   4.121  -8.561  -5.768
  326   1HG   ARG  49          2HG       ARG  49   4.629  -7.726  -3.013
  327   1HD   ARG  49          2HD       ARG  49   6.449  -9.432  -3.255
  328    HE   ARG  49           HE       ARG  49   6.943  -7.136  -3.991
  329   1HH1  ARG  49          2HH1      ARG  49   6.350  -9.511  -6.507
  330   2HH1  ARG  49          1HH1      ARG  49   7.461  -8.778  -7.628
  331   1HH2  ARG  49          2HH2      ARG  49   8.420  -6.203  -5.411
  332   2HH2  ARG  49          1HH2      ARG  49   8.646  -6.878  -6.996
  333    H    GLN  50           H        GLN  50   0.888  -9.595  -2.898
  334    HA   GLN  50           HA       GLN  50   0.079  -7.024  -1.781
  335   1HB   GLN  50          2HB       GLN  50  -1.418  -8.386  -0.325
  336   1HG   GLN  50          2HG       GLN  50  -1.621 -10.792  -1.643
  337   1HE2  GLN  50          1HE2      GLN  50  -2.951 -11.044   0.115
  338   2HE2  GLN  50          2HE2      GLN  50  -2.361 -11.365   1.711
  339    H    GLY  51           H        GLY  51   0.996  -6.182  -0.049
  340   1HA   GLY  51          1HA       GLY  51   2.461  -7.768   1.855
  341   2HA   GLY  51          2HA       GLY  51   3.500  -6.883   0.744
  342    H    PHE  52           H        PHE  52   4.288  -5.743   2.605
  343    HA   PHE  52           HA       PHE  52   2.352  -3.870   3.747
  344   1HB   PHE  52          2HB       PHE  52   4.974  -4.916   4.789
  345    HD1  PHE  52           1HD      PHE  52   1.700  -3.886   6.230
  346    HD2  PHE  52           2HD      PHE  52   4.477  -7.036   5.553
  347    HE1  PHE  52           1HE      PHE  52   0.347  -5.370   7.640
  348    HE2  PHE  52           2HE      PHE  52   3.123  -8.531   6.962
  349    HZ   PHE  52           HZ       PHE  52   1.058  -7.698   8.011
  350    H    VAL  53           H        VAL  53   2.732  -1.742   3.926
  351    HA   VAL  53           HA       VAL  53   5.177  -0.553   2.811
  352    HB   VAL  53           HB       VAL  53   3.826   1.265   1.771
  353   1HG1  VAL  53          1HG1      VAL  53   4.692  -0.503   0.364
  354   2HG1  VAL  53          2HG1      VAL  53   3.268  -1.492   0.702
  355   3HG1  VAL  53          3HG1      VAL  53   3.103   0.011  -0.209
  356   1HG2  VAL  53          1HG2      VAL  53   1.447   0.919   1.340
  357   2HG2  VAL  53          2HG2      VAL  53   1.484  -0.562   2.296
  358   3HG2  VAL  53          3HG2      VAL  53   1.778   0.994   3.070
  359    HA   PRO  54           HA       PRO  54   4.693   2.049   6.413
  360   1HB   PRO  54          2HB       PRO  54   5.542   4.463   5.139
  361   1HG   PRO  54          2HG       PRO  54   7.006   3.755   3.554
  362   1HD   PRO  54          2HD       PRO  54   5.383   2.487   2.551
  363    H    ALA  55           H        ALA  55   3.008   3.064   7.292
  364    HA   ALA  55           HA       ALA  55   0.705   3.691   5.835
  365   1HB   ALA  55          1HB       ALA  55  -0.157   4.621   7.916
  366   2HB   ALA  55          2HB       ALA  55   0.695   3.105   8.215
  367   3HB   ALA  55          3HB       ALA  55   1.472   4.644   8.595
  368    H    ALA  56           H        ALA  56   3.484   5.608   6.587
  369    HA   ALA  56           HA       ALA  56   2.174   8.139   6.094
  370   1HB   ALA  56          1HB       ALA  56   5.088   7.500   6.522
  371   2HB   ALA  56          2HB       ALA  56   4.374   9.113   6.499
  372   3HB   ALA  56          3HB       ALA  56   3.937   7.972   7.772
  373    H    TYR  57           H        TYR  57   3.068   5.778   4.029
  374    HA   TYR  57           HA       TYR  57   4.196   7.644   2.056
  375   1HB   TYR  57          2HB       TYR  57   4.575   4.729   2.495
  376    HD1  TYR  57           1HD      TYR  57   6.876   5.010   0.269
  377    HD2  TYR  57           2HD      TYR  57   5.823   7.111   3.814
  378    HE1  TYR  57           1HE      TYR  57   9.214   5.704   0.543
  379    HE2  TYR  57           2HE      TYR  57   8.164   7.802   4.101
  380    HH   TYR  57           HH       TYR  57  10.328   7.307   3.447
  381    H    VAL  58           H        VAL  58   1.434   5.764   2.751
  382    HA   VAL  58           HA       VAL  58   0.432   6.294   0.043
  383    HB   VAL  58           HB       VAL  58  -1.242   4.526   0.439
  384   1HG1  VAL  58          1HG1      VAL  58   0.343   2.607   0.332
  385   2HG1  VAL  58          2HG1      VAL  58   0.774   3.938  -0.744
  386   3HG1  VAL  58          3HG1      VAL  58   1.644   3.714   0.775
  387   1HG2  VAL  58          1HG2      VAL  58  -1.362   4.615   2.869
  388   2HG2  VAL  58          2HG2      VAL  58  -0.951   2.985   2.338
  389   3HG2  VAL  58          3HG2      VAL  58   0.302   4.041   2.988
  390    H    LYS  59           H        LYS  59  -1.704   7.076  -0.188
  391    HA   LYS  59           HA       LYS  59  -2.697   8.500   2.199
  392   1HB   LYS  59          2HB       LYS  59  -1.829  10.046   0.537
  393   1HG   LYS  59          2HG       LYS  59  -4.834  10.001   0.556
  394   1HD   LYS  59          2HD       LYS  59  -2.983  12.234  -0.265
  395   1HE   LYS  59          2HE       LYS  59  -5.038  12.953   0.896
  396   1HZ   LYS  59          1HZ       LYS  59  -6.487  11.676  -1.361
  397   2HZ   LYS  59          2HZ       LYS  59  -7.167  12.580  -0.098
  398   3HZ   LYS  59          3HZ       LYS  59  -6.461  11.077   0.228
  399    H    LYS  60           H        LYS  60  -4.908   8.491   2.594
  400    HA   LYS  60           HA       LYS  60  -6.435   6.352   1.488
  401   1HB   LYS  60          2HB       LYS  60  -7.310   8.721   3.155
  402   1HG   LYS  60          2HG       LYS  60  -5.823   7.069   4.322
  403   1HD   LYS  60          2HD       LYS  60  -6.485   4.984   3.379
  404   1HE   LYS  60          2HE       LYS  60  -8.809   5.633   2.773
  405   1HZ   LYS  60          1HZ       LYS  60  -9.395   5.087   5.633
  406   2HZ   LYS  60          2HZ       LYS  60 -10.552   5.329   4.420
  407   3HZ   LYS  60          3HZ       LYS  60  -9.526   6.596   4.870
  408    H    LEU  61           H        LEU  61  -7.496   6.330  -0.364
  409    HA   LEU  61           HA       LEU  61  -8.266   8.840  -1.638
  410   1HB   LEU  61          2HB       LEU  61  -8.353   5.955  -2.525
  411    HG   LEU  61           HG       LEU  61  -6.107   7.193  -2.685
  412   1HD1  LEU  61          1HD1      LEU  61  -7.431   6.173  -5.201
  413   2HD1  LEU  61          2HD1      LEU  61  -5.694   6.335  -4.944
  414   3HD1  LEU  61          3HD1      LEU  61  -6.626   5.192  -3.976
  415   1HD2  LEU  61          1HD2      LEU  61  -6.862   9.381  -3.340
  416   2HD2  LEU  61          2HD2      LEU  61  -5.938   8.693  -4.669
  417   3HD2  LEU  61          3HD2      LEU  61  -7.698   8.726  -4.748
  418    H    ASP  62           H        ASP  62  -9.415   8.084   0.822
  419    HA   ASP  62           HA       ASP  62 -12.239   7.916   0.131
  420   1HB   ASP  62          2HB       ASP  62 -11.582   5.588   0.564
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -13.570 -11.246  -2.621
    2   2H    MET   1          2H        MET   1 -12.971  -9.664  -2.649
    3   3H    MET   1          3H        MET   1 -13.503 -10.394  -4.083
    4    HA   MET   1           HA       MET   1 -15.744 -10.487  -3.283
    5   1HB   MET   1          2HB       MET   1 -16.385  -9.403  -1.198
    6   1HG   MET   1          2HG       MET   1 -13.449  -9.044  -0.652
    7   1HE   MET   1          1HE       MET   1 -15.367 -10.971   1.102
    8   2HE   MET   1          2HE       MET   1 -13.678 -10.648   1.495
    9   3HE   MET   1          3HE       MET   1 -14.924 -10.450   2.727
   10    H    ASP   2           H        ASP   2 -13.282  -8.249  -3.842
   11    HA   ASP   2           HA       ASP   2 -14.997  -6.618  -5.392
   12   1HB   ASP   2          2HB       ASP   2 -14.894  -4.512  -4.235
   13    H    GLU   3           H        GLU   3 -11.972  -6.441  -3.553
   14    HA   GLU   3           HA       GLU   3  -9.848  -6.016  -4.076
   15   1HB   GLU   3          2HB       GLU   3 -10.743  -6.908  -6.811
   16   1HG   GLU   3          2HG       GLU   3  -9.231  -8.842  -6.266
   17    H    THR   4           H        THR   4 -12.047  -4.522  -6.464
   18    HA   THR   4           HA       THR   4 -10.513  -2.034  -6.028
   19    HB   THR   4           HB       THR   4 -11.584  -1.547  -8.445
   20    HG1  THR   4           1HG      THR   4 -10.705  -4.091  -9.054
   21   1HG2  THR   4          1HG2      THR   4  -8.962  -2.980  -7.952
   22   2HG2  THR   4          2HG2      THR   4  -9.234  -1.240  -7.857
   23   3HG2  THR   4          3HG2      THR   4  -9.381  -2.072  -9.405
   24    H    GLY   5           H        GLY   5 -12.734  -2.784  -4.450
   25   1HA   GLY   5          1HA       GLY   5 -14.589  -0.624  -5.155
   26   2HA   GLY   5          2HA       GLY   5 -15.256  -2.233  -4.882
   27    H    LYS   6           H        LYS   6 -13.306   0.304  -3.386
   28    HA   LYS   6           HA       LYS   6 -14.259  -0.126  -0.777
   29   1HB   LYS   6          2HB       LYS   6 -12.424  -1.269   0.274
   30   1HG   LYS   6          2HG       LYS   6 -11.098  -1.746  -2.381
   31   1HD   LYS   6          2HD       LYS   6  -9.163  -2.280  -0.937
   32   1HE   LYS   6          2HE       LYS   6 -10.725  -4.070  -1.763
   33   1HZ   LYS   6          1HZ       LYS   6 -12.165  -5.127  -0.169
   34   2HZ   LYS   6          2HZ       LYS   6 -12.645  -3.526  -0.387
   35   3HZ   LYS   6          3HZ       LYS   6 -11.790  -3.964   1.010
   36    H    GLU   7           H        GLU   7 -11.923   0.443   0.648
   37    HA   GLU   7           HA       GLU   7 -11.847   3.205   0.553
   38   1HB   GLU   7          2HB       GLU   7  -9.656   1.408   1.614
   39   1HG   GLU   7          2HG       GLU   7 -10.767   2.043   3.853
   40    H    LEU   8           H        LEU   8  -9.429   0.907  -0.733
   41    HA   LEU   8           HA       LEU   8  -7.637   1.165  -2.094
   42   1HB   LEU   8          2HB       LEU   8  -9.336   3.418  -3.147
   43    HG   LEU   8           HG       LEU   8 -10.139   1.079  -3.607
   44   1HD1  LEU   8          1HD1      LEU   8  -9.249   2.731  -5.970
   45   2HD1  LEU   8          2HD1      LEU   8 -10.490   1.475  -5.997
   46   3HD1  LEU   8          3HD1      LEU   8 -10.740   2.940  -5.049
   47   1HD2  LEU   8          1HD2      LEU   8  -7.590   0.939  -5.224
   48   2HD2  LEU   8          2HD2      LEU   8  -7.970  -0.024  -3.794
   49   3HD2  LEU   8          3HD2      LEU   8  -8.910  -0.232  -5.270
   50    H    VAL   9           H        VAL   9  -5.655   2.266  -2.335
   51    HA   VAL   9           HA       VAL   9  -5.420   4.781  -0.842
   52    HB   VAL   9           HB       VAL   9  -3.101   3.959  -0.099
   53   1HG1  VAL   9          1HG1      VAL   9  -4.888   4.371   1.469
   54   2HG1  VAL   9          2HG1      VAL   9  -5.594   2.791   1.123
   55   3HG1  VAL   9          3HG1      VAL   9  -4.025   2.901   1.921
   56   1HG2  VAL   9          1HG2      VAL   9  -3.011   1.948  -1.475
   57   2HG2  VAL   9          2HG2      VAL   9  -2.897   1.542   0.238
   58   3HG2  VAL   9          3HG2      VAL   9  -4.415   1.296  -0.630
   59    H    LEU  10           H        LEU  10  -3.853   6.178  -1.517
   60    HA   LEU  10           HA       LEU  10  -2.895   5.663  -4.238
   61   1HB   LEU  10          2HB       LEU  10  -4.190   7.550  -4.371
   62    HG   LEU  10           HG       LEU  10  -1.466   8.598  -3.726
   63   1HD1  LEU  10          1HD1      LEU  10  -1.442   9.068  -6.138
   64   2HD1  LEU  10          2HD1      LEU  10  -1.669   7.355  -5.782
   65   3HD1  LEU  10          3HD1      LEU  10  -3.045   8.341  -6.271
   66   1HD2  LEU  10          1HD2      LEU  10  -2.990  10.346  -3.081
   67   2HD2  LEU  10          2HD2      LEU  10  -2.226  10.773  -4.613
   68   3HD2  LEU  10          3HD2      LEU  10  -3.884  10.168  -4.593
   69    H    ALA  11           H        ALA  11  -0.790   5.385  -4.567
   70    HA   ALA  11           HA       ALA  11   1.086   5.566  -2.419
   71   1HB   ALA  11          1HB       ALA  11   2.733   4.841  -4.061
   72   2HB   ALA  11          2HB       ALA  11   1.267   3.863  -4.179
   73   3HB   ALA  11          3HB       ALA  11   1.580   5.132  -5.365
   74    H    LEU  12           H        LEU  12   1.945   7.414  -1.719
   75    HA   LEU  12           HA       LEU  12   1.846   9.804  -3.361
   76   1HB   LEU  12          2HB       LEU  12   3.037   9.440  -0.609
   77    HG   LEU  12           HG       LEU  12   0.606   8.869  -0.589
   78   1HD1  LEU  12          1HD1      LEU  12  -0.001  10.426   1.191
   79   2HD1  LEU  12          2HD1      LEU  12   1.662   9.861   1.363
   80   3HD1  LEU  12          3HD1      LEU  12   1.341  11.475   0.731
   81   1HD2  LEU  12          1HD2      LEU  12  -1.025  10.643  -1.041
   82   2HD2  LEU  12          2HD2      LEU  12   0.277  11.699  -1.590
   83   3HD2  LEU  12          3HD2      LEU  12  -0.104  10.227  -2.487
   84    H    TYR  13           H        TYR  13   4.207   7.563  -2.134
   85    HA   TYR  13           HA       TYR  13   6.328   9.052  -3.523
   86   1HB   TYR  13          2HB       TYR  13   6.829   7.431  -1.033
   87    HD1  TYR  13           1HD      TYR  13   6.264   8.121   1.132
   88    HD2  TYR  13           2HD      TYR  13   6.134  10.949  -2.035
   89    HE1  TYR  13           1HE      TYR  13   5.307   9.780   2.662
   90    HE2  TYR  13           2HE      TYR  13   5.185  12.623  -0.512
   91    HH   TYR  13           HH       TYR  13   5.158  12.226   2.856
   92    H    ASP  14           H        ASP  14   7.994   7.705  -4.462
   93    HA   ASP  14           HA       ASP  14   7.089   5.077  -5.185
   94   1HB   ASP  14          2HB       ASP  14   9.145   4.938  -6.500
   95    H    TYR  15           H        TYR  15   7.700   3.180  -4.310
   96    HA   TYR  15           HA       TYR  15   9.494   3.379  -1.986
   97   1HB   TYR  15          2HB       TYR  15   7.068   3.339  -1.356
   98    HD1  TYR  15           1HD      TYR  15   9.113   3.499   0.383
   99    HD2  TYR  15           2HD      TYR  15   7.083  -0.071  -0.714
  100    HE1  TYR  15           1HE      TYR  15   9.812   2.467   2.491
  101    HE2  TYR  15           2HE      TYR  15   7.796  -1.127   1.385
  102    HH   TYR  15           HH       TYR  15   9.133   0.692   3.974
  103    H    GLN  16           H        GLN  16  11.104   2.014  -2.032
  104    HA   GLN  16           HA       GLN  16  10.906  -0.397  -3.677
  105   1HB   GLN  16          2HB       GLN  16  12.839   1.022  -4.132
  106   1HG   GLN  16          2HG       GLN  16  14.645  -0.505  -3.915
  107   1HE2  GLN  16          1HE2      GLN  16  12.138  -2.745  -3.037
  108   2HE2  GLN  16          2HE2      GLN  16  11.815  -3.327  -4.641
  109    H    GLU  17           H        GLU  17  10.161  -2.086  -2.603
  110    HA   GLU  17           HA       GLU  17  10.131  -2.506   0.138
  111   1HB   GLU  17          2HB       GLU  17   9.602  -4.803  -0.369
  112   1HG   GLU  17          2HG       GLU  17  10.869  -4.256  -3.022
  113    H    LYS  18           H        LYS  18  11.640  -3.012   1.576
  114    HA   LYS  18           HA       LYS  18  14.291  -3.747   0.609
  115   1HB   LYS  18          2HB       LYS  18  15.211  -2.909   2.528
  116   1HG   LYS  18          2HG       LYS  18  12.716  -3.607   4.029
  117   1HD   LYS  18          2HD       LYS  18  15.273  -2.547   5.186
  118   1HE   LYS  18          2HE       LYS  18  13.716  -3.819   6.639
  119   1HZ   LYS  18          1HZ       LYS  18  11.856  -1.584   6.032
  120   2HZ   LYS  18          2HZ       LYS  18  11.615  -2.756   7.233
  121   3HZ   LYS  18          3HZ       LYS  18  11.629  -3.207   5.595
  122    H    SER  19           H        SER  19  11.592  -5.130   2.265
  123    HA   SER  19           HA       SER  19  13.088  -7.659   2.438
  124   1HB   SER  19          2HB       SER  19  11.786  -8.255   4.425
  125    HG   SER  19           HG       SER  19  10.677  -5.655   4.467
  126    HA   PRO  20           HA       PRO  20  10.041  -9.374  -0.285
  127   1HB   PRO  20          2HB       PRO  20   9.686 -11.867   0.844
  128   1HG   PRO  20          2HG       PRO  20  10.967 -11.564   2.752
  129   1HD   PRO  20          2HD       PRO  20  12.444  -9.793   2.979
  130    H    ALA  21           H        ALA  21   9.340  -8.787   2.976
  131    HA   ALA  21           HA       ALA  21   6.550  -9.606   2.763
  132   1HB   ALA  21          1HB       ALA  21   6.369  -8.812   5.091
  133   2HB   ALA  21          2HB       ALA  21   7.655 -10.003   4.885
  134   3HB   ALA  21          3HB       ALA  21   8.053  -8.292   5.027
  135    H    GLU  22           H        GLU  22   8.452  -7.023   1.936
  136    HA   GLU  22           HA       GLU  22   6.298  -5.041   2.152
  137   1HB   GLU  22          2HB       GLU  22   9.249  -4.822   1.529
  138   1HG   GLU  22          2HG       GLU  22   7.828  -3.269   3.614
  139    H    VAL  23           H        VAL  23   6.048  -3.623   0.151
  140    HA   VAL  23           HA       VAL  23   6.674  -5.165  -2.277
  141    HB   VAL  23           HB       VAL  23   4.590  -5.070  -3.205
  142   1HG1  VAL  23          1HG1      VAL  23   2.901  -5.697  -1.599
  143   2HG1  VAL  23          2HG1      VAL  23   4.447  -6.459  -1.223
  144   3HG1  VAL  23          3HG1      VAL  23   3.898  -5.069  -0.287
  145   1HG2  VAL  23          1HG2      VAL  23   2.800  -3.500  -2.540
  146   2HG2  VAL  23          2HG2      VAL  23   3.944  -2.727  -1.448
  147   3HG2  VAL  23          3HG2      VAL  23   4.240  -2.712  -3.184
  148    H    THR  24           H        THR  24   7.138  -4.049  -4.084
  149    HA   THR  24           HA       THR  24   7.980  -1.308  -3.797
  150    HB   THR  24           HB       THR  24   8.022  -3.084  -6.251
  151    HG1  THR  24           1HG      THR  24   9.213  -3.917  -4.414
  152   1HG2  THR  24          1HG2      THR  24   9.827  -1.584  -7.000
  153   2HG2  THR  24          2HG2      THR  24   9.569  -0.578  -5.574
  154   3HG2  THR  24          3HG2      THR  24   8.302  -0.721  -6.791
  155    H    MET  25           H        MET  25   6.998   0.473  -4.618
  156    HA   MET  25           HA       MET  25   4.763   0.172  -6.470
  157   1HB   MET  25          2HB       MET  25   3.230   1.467  -5.103
  158   1HG   MET  25          2HG       MET  25   5.395   1.485  -3.009
  159   1HE   MET  25          1HE       MET  25   3.470   3.500  -0.267
  160   2HE   MET  25          2HE       MET  25   5.016   2.807  -0.751
  161   3HE   MET  25          3HE       MET  25   4.352   4.181  -1.635
  162    H    LYS  26           H        LYS  26   4.310   2.062  -7.647
  163    HA   LYS  26           HA       LYS  26   6.327   4.179  -7.362
  164   1HB   LYS  26          2HB       LYS  26   4.726   3.269  -9.759
  165   1HG   LYS  26          2HG       LYS  26   6.782   1.981  -9.314
  166   1HD   LYS  26          2HD       LYS  26   8.079   4.686  -9.574
  167   1HE   LYS  26          2HE       LYS  26  10.228   3.470  -9.542
  168   1HZ   LYS  26          1HZ       LYS  26  10.201   2.780 -11.845
  169   2HZ   LYS  26          2HZ       LYS  26   9.320   4.219 -11.661
  170   3HZ   LYS  26          3HZ       LYS  26   8.504   2.745 -11.855
  171    H    LYS  27           H        LYS  27   5.694   6.313  -7.185
  172    HA   LYS  27           HA       LYS  27   3.181   6.739  -6.015
  173   1HB   LYS  27          2HB       LYS  27   3.822   8.903  -5.596
  174   1HG   LYS  27          2HG       LYS  27   4.103   9.426  -8.130
  175   1HD   LYS  27          2HD       LYS  27   6.160   8.133  -8.443
  176   1HE   LYS  27          2HE       LYS  27   7.303  10.106  -6.473
  177   1HZ   LYS  27          1HZ       LYS  27   8.949   9.907  -8.092
  178   2HZ   LYS  27          2HZ       LYS  27   8.639   8.262  -8.361
  179   3HZ   LYS  27          3HZ       LYS  27   9.390   8.759  -6.921
  180    H    GLY  28           H        GLY  28   1.357   7.762  -6.711
  181   1HA   GLY  28          1HA       GLY  28   0.000   8.792  -8.393
  182   2HA   GLY  28          2HA       GLY  28   1.111   8.186  -9.614
  183    H    ASP  29           H        ASP  29   1.096   5.549  -8.048
  184    HA   ASP  29           HA       ASP  29  -1.035   4.344  -9.554
  185   1HB   ASP  29          2HB       ASP  29   1.067   3.269  -7.690
  186    H    ILE  30           H        ILE  30  -2.747   3.065  -8.681
  187    HA   ILE  30           HA       ILE  30  -3.580   3.897  -5.969
  188    HB   ILE  30           HB       ILE  30  -5.244   3.137  -8.386
  189   1HG1  ILE  30          2HG1      ILE  30  -6.513   5.131  -7.953
  190   1HG2  ILE  30          1HG2      ILE  30  -6.142   3.125  -5.517
  191   2HG2  ILE  30          2HG2      ILE  30  -7.217   3.033  -6.914
  192   3HG2  ILE  30          3HG2      ILE  30  -6.054   1.742  -6.609
  193   1HD1  ILE  30          1HD1      ILE  30  -3.644   5.931  -7.603
  194   2HD1  ILE  30          2HD1      ILE  30  -4.479   5.680  -9.140
  195   3HD1  ILE  30          3HD1      ILE  30  -4.979   6.981  -8.064
  196    H    LEU  31           H        LEU  31  -3.344   2.349  -4.486
  197    HA   LEU  31           HA       LEU  31  -3.106  -0.438  -5.415
  198   1HB   LEU  31          2HB       LEU  31  -2.453   0.297  -2.619
  199    HG   LEU  31           HG       LEU  31  -1.188   2.081  -3.588
  200   1HD1  LEU  31          1HD1      LEU  31  -0.095   0.618  -1.928
  201   2HD1  LEU  31          2HD1      LEU  31   0.602  -0.315  -3.256
  202   3HD1  LEU  31          3HD1      LEU  31   1.049   1.378  -3.038
  203   1HD2  LEU  31          1HD2      LEU  31   0.321   1.820  -5.437
  204   2HD2  LEU  31          2HD2      LEU  31  -0.040   0.097  -5.541
  205   3HD2  LEU  31          3HD2      LEU  31  -1.282   1.278  -5.941
  206    H    THR  32           H        THR  32  -4.094  -2.104  -4.085
  207    HA   THR  32           HA       THR  32  -6.673  -1.291  -3.029
  208    HB   THR  32           HB       THR  32  -5.438  -4.036  -3.327
  209    HG1  THR  32           1HG      THR  32  -7.673  -3.423  -4.808
  210   1HG2  THR  32          1HG2      THR  32  -7.766  -4.853  -2.936
  211   2HG2  THR  32          2HG2      THR  32  -8.221  -3.209  -2.479
  212   3HG2  THR  32          3HG2      THR  32  -7.033  -4.098  -1.521
  213    H    LEU  33           H        LEU  33  -7.069  -0.954  -0.932
  214    HA   LEU  33           HA       LEU  33  -4.974  -1.351   0.987
  215   1HB   LEU  33          2HB       LEU  33  -7.132   0.405   0.795
  216    HG   LEU  33           HG       LEU  33  -5.272   1.292   1.842
  217   1HD1  LEU  33          1HD1      LEU  33  -7.257   2.059   2.964
  218   2HD1  LEU  33          2HD1      LEU  33  -7.220   0.672   4.051
  219   3HD1  LEU  33          3HD1      LEU  33  -5.943   1.885   4.129
  220   1HD2  LEU  33          1HD2      LEU  33  -4.151   0.311   3.780
  221   2HD2  LEU  33          2HD2      LEU  33  -5.292  -1.033   3.761
  222   3HD2  LEU  33          3HD2      LEU  33  -4.177  -0.805   2.414
  223    H    LEU  34           H        LEU  34  -4.671  -3.143   2.045
  224    HA   LEU  34           HA       LEU  34  -6.855  -5.079   2.290
  225   1HB   LEU  34          2HB       LEU  34  -3.863  -5.336   2.597
  226    HG   LEU  34           HG       LEU  34  -4.562  -5.216   0.241
  227   1HD1  LEU  34          1HD1      LEU  34  -3.520  -7.289  -0.496
  228   2HD1  LEU  34          2HD1      LEU  34  -2.654  -6.598   0.877
  229   3HD1  LEU  34          3HD1      LEU  34  -3.729  -7.976   1.115
  230   1HD2  LEU  34          1HD2      LEU  34  -5.932  -7.032  -0.703
  231   2HD2  LEU  34          2HD2      LEU  34  -6.268  -7.606   0.929
  232   3HD2  LEU  34          3HD2      LEU  34  -6.838  -6.017   0.417
  233    H    ASN  35           H        ASN  35  -4.498  -3.261   4.155
  234    HA   ASN  35           HA       ASN  35  -6.044  -3.710   6.582
  235   1HB   ASN  35          2HB       ASN  35  -4.618  -5.418   7.100
  236   1HD2  ASN  35          1HD2      ASN  35  -2.006  -3.077   6.922
  237   2HD2  ASN  35          2HD2      ASN  35  -1.794  -2.940   8.631
  238    H    SER  36           H        SER  36  -6.094  -1.948   7.859
  239    HA   SER  36           HA       SER  36  -3.950   0.038   7.582
  240   1HB   SER  36          2HB       SER  36  -5.697   1.846   7.645
  241    HG   SER  36           HG       SER  36  -7.695   0.489   6.558
  242    H    THR  37           H        THR  37  -5.575  -1.958   9.586
  243    HA   THR  37           HA       THR  37  -6.094  -0.246  11.800
  244    HB   THR  37           HB       THR  37  -7.276  -2.379  11.553
  245    HG1  THR  37           1HG      THR  37  -6.924  -1.456  13.676
  246   1HG2  THR  37          1HG2      THR  37  -5.430  -3.714  10.619
  247   2HG2  THR  37          2HG2      THR  37  -6.168  -4.505  12.014
  248   3HG2  THR  37          3HG2      THR  37  -4.622  -3.677  12.185
  249    H    ASN  38           H        ASN  38  -3.259  -1.733  10.567
  250    HA   ASN  38           HA       ASN  38  -1.773  -1.648  13.032
  251   1HB   ASN  38          2HB       ASN  38  -1.299  -3.238  11.106
  252   1HD2  ASN  38          1HD2      ASN  38   1.334  -2.996  10.157
  253   2HD2  ASN  38          2HD2      ASN  38   2.391  -3.039  11.535
  254    H    LYS  39           H        LYS  39  -0.551  -0.030  13.798
  255    HA   LYS  39           HA       LYS  39  -1.008   2.582  12.709
  256   1HB   LYS  39          2HB       LYS  39  -0.003   3.440  14.673
  257   1HG   LYS  39          2HG       LYS  39   1.214   0.743  15.254
  258   1HD   LYS  39          2HD       LYS  39   1.458   3.411  16.628
  259   1HE   LYS  39          2HE       LYS  39   2.774   0.759  17.194
  260   1HZ   LYS  39          1HZ       LYS  39   3.836   1.899  19.013
  261   2HZ   LYS  39          2HZ       LYS  39   2.153   1.941  19.221
  262   3HZ   LYS  39          3HZ       LYS  39   2.978   3.322  18.681
  263    H    ASP  40           H        ASP  40   1.335   0.272  12.025
  264    HA   ASP  40           HA       ASP  40   3.196   2.372  11.127
  265   1HB   ASP  40          2HB       ASP  40   3.768  -0.327  12.303
  266    H    TRP  41           H        TRP  41   2.646  -1.080  10.458
  267    HA   TRP  41           HA       TRP  41   3.242  -0.511   7.647
  268   1HB   TRP  41          2HB       TRP  41   3.346  -3.071   9.247
  269    HD1  TRP  41           HD       TRP  41   5.353  -2.324  10.767
  270    HE1  TRP  41           1HE      TRP  41   7.817  -1.741  10.281
  271    HE3  TRP  41           3HE      TRP  41   5.096  -1.882   5.683
  272    HZ2  TRP  41           2HZ      TRP  41   9.427  -1.166   8.039
  273    HZ3  TRP  41           3HZ      TRP  41   7.139  -1.307   4.447
  274    HH2  TRP  41           HH       TRP  41   9.260  -0.955   5.599
  275    H    TRP  42           H        TRP  42   1.529  -0.211   6.423
  276    HA   TRP  42           HA       TRP  42  -0.966  -1.609   6.953
  277   1HB   TRP  42          2HB       TRP  42  -0.132   0.467   4.938
  278    HD1  TRP  42           HD       TRP  42  -0.999   0.177   8.394
  279    HE1  TRP  42           1HE      TRP  42  -2.233   2.265   9.259
  280    HE3  TRP  42           3HE      TRP  42  -2.327   2.162   3.937
  281    HZ2  TRP  42           2HZ      TRP  42  -3.593   4.487   8.156
  282    HZ3  TRP  42           3HZ      TRP  42  -3.594   4.285   3.893
  283    HH2  TRP  42           HH       TRP  42  -4.210   5.419   5.970
  284    H    LYS  43           H        LYS  43  -2.027  -2.754   5.133
  285    HA   LYS  43           HA       LYS  43  -0.016  -4.290   3.625
  286   1HB   LYS  43          2HB       LYS  43  -1.510  -5.452   5.447
  287   1HG   LYS  43          2HG       LYS  43  -1.344  -6.618   2.675
  288   1HD   LYS  43          2HD       LYS  43  -1.635  -7.939   5.376
  289   1HE   LYS  43          2HE       LYS  43  -2.010  -9.994   3.978
  290   1HZ   LYS  43          1HZ       LYS  43   0.675  -8.736   3.874
  291   2HZ   LYS  43          2HZ       LYS  43   0.371 -10.362   3.523
  292   3HZ   LYS  43          3HZ       LYS  43   0.076  -9.763   5.083
  293    H    VAL  44           H        VAL  44  -0.147  -4.122   1.491
  294    HA   VAL  44           HA       VAL  44  -2.694  -3.272   0.308
  295    HB   VAL  44           HB       VAL  44  -1.462  -1.774  -1.253
  296   1HG1  VAL  44          1HG1      VAL  44  -1.128   0.066   0.338
  297   2HG1  VAL  44          2HG1      VAL  44  -2.608  -0.832   0.676
  298   3HG1  VAL  44          3HG1      VAL  44  -1.174  -1.088   1.671
  299   1HG2  VAL  44          1HG2      VAL  44   0.808  -1.063  -0.680
  300   2HG2  VAL  44          2HG2      VAL  44   0.848  -2.247   0.627
  301   3HG2  VAL  44          3HG2      VAL  44   0.747  -2.787  -1.050
  302    H    GLU  45           H        GLU  45  -2.895  -3.770  -1.933
  303    HA   GLU  45           HA       GLU  45  -1.031  -5.855  -2.846
  304   1HB   GLU  45          2HB       GLU  45  -3.347  -6.660  -2.536
  305   1HG   GLU  45          2HG       GLU  45  -2.420  -6.455  -5.390
  306    H    VAL  46           H        VAL  46   0.162  -5.380  -4.531
  307    HA   VAL  46           HA       VAL  46  -0.742  -3.329  -6.430
  308    HB   VAL  46           HB       VAL  46   2.161  -3.468  -5.840
  309   1HG1  VAL  46          1HG1      VAL  46   1.865  -0.956  -6.144
  310   2HG1  VAL  46          2HG1      VAL  46   1.608  -1.982  -7.555
  311   3HG1  VAL  46          3HG1      VAL  46   0.227  -1.345  -6.666
  312   1HG2  VAL  46          1HG2      VAL  46   1.974  -1.821  -4.016
  313   2HG2  VAL  46          2HG2      VAL  46   0.227  -2.069  -4.010
  314   3HG2  VAL  46          3HG2      VAL  46   1.309  -3.399  -3.593
  315    H    ASN  47           H        ASN  47  -0.415  -3.907  -8.500
  316    HA   ASN  47           HA       ASN  47  -0.260  -5.292 -10.235
  317   1HB   ASN  47          2HB       ASN  47   1.935  -6.248 -10.798
  318   1HD2  ASN  47          1HD2      ASN  47   3.273  -4.075  -8.485
  319   2HD2  ASN  47          2HD2      ASN  47   4.259  -5.241  -7.658
  320    H    ASP  48           H        ASP  48   1.625  -7.499  -8.199
  321    HA   ASP  48           HA       ASP  48  -0.706  -9.228  -7.971
  322   1HB   ASP  48          2HB       ASP  48   0.600  -9.845 -10.057
  323    H    ARG  49           H        ARG  49   1.698  -7.648  -6.514
  324    HA   ARG  49           HA       ARG  49   2.403  -9.809  -4.664
  325   1HB   ARG  49          2HB       ARG  49   4.267  -8.615  -5.874
  326   1HG   ARG  49          2HG       ARG  49   4.706  -7.825  -3.071
  327   1HD   ARG  49          2HD       ARG  49   6.738  -9.243  -3.408
  328    HE   ARG  49           HE       ARG  49   6.997  -6.897  -4.001
  329   1HH1  ARG  49          2HH1      ARG  49   6.512  -9.118  -6.675
  330   2HH1  ARG  49          1HH1      ARG  49   7.379  -8.124  -7.814
  331   1HH2  ARG  49          2HH2      ARG  49   8.145  -5.622  -5.470
  332   2HH2  ARG  49          1HH2      ARG  49   8.278  -6.106  -7.140
  333    H    GLN  50           H        GLN  50   1.328  -9.830  -2.854
  334    HA   GLN  50           HA       GLN  50   0.205  -7.343  -1.766
  335   1HB   GLN  50          2HB       GLN  50  -0.242 -10.179  -0.792
  336   1HG   GLN  50          2HG       GLN  50  -2.125  -8.649  -2.570
  337   1HE2  GLN  50          1HE2      GLN  50  -3.953  -9.807  -3.160
  338   2HE2  GLN  50          2HE2      GLN  50  -4.483 -11.187  -2.253
  339    H    GLY  51           H        GLY  51   1.002  -6.447   0.055
  340   1HA   GLY  51          1HA       GLY  51   2.557  -7.881   1.965
  341   2HA   GLY  51          2HA       GLY  51   3.589  -6.983   0.855
  342    H    PHE  52           H        PHE  52   4.251  -5.852   2.808
  343    HA   PHE  52           HA       PHE  52   2.239  -3.969   3.799
  344   1HB   PHE  52          2HB       PHE  52   4.864  -4.899   4.953
  345    HD1  PHE  52           1HD      PHE  52   1.421  -4.083   6.153
  346    HD2  PHE  52           2HD      PHE  52   4.533  -6.973   5.869
  347    HE1  PHE  52           1HE      PHE  52   0.121  -5.606   7.570
  348    HE2  PHE  52           2HE      PHE  52   3.229  -8.511   7.279
  349    HZ   PHE  52           HZ       PHE  52   1.021  -7.828   8.134
  350    H    VAL  53           H        VAL  53   2.608  -1.818   3.959
  351    HA   VAL  53           HA       VAL  53   5.079  -0.663   2.861
  352    HB   VAL  53           HB       VAL  53   3.765   1.148   1.772
  353   1HG1  VAL  53          1HG1      VAL  53   3.047  -0.123  -0.190
  354   2HG1  VAL  53          2HG1      VAL  53   4.615  -0.664   0.414
  355   3HG1  VAL  53          3HG1      VAL  53   3.166  -1.613   0.747
  356   1HG2  VAL  53          1HG2      VAL  53   1.394  -0.622   2.346
  357   2HG2  VAL  53          2HG2      VAL  53   1.707   0.971   3.034
  358   3HG2  VAL  53          3HG2      VAL  53   1.383   0.805   1.309
  359    HA   PRO  54           HA       PRO  54   4.556   2.038   6.388
  360   1HB   PRO  54          2HB       PRO  54   5.446   4.406   5.066
  361   1HG   PRO  54          2HG       PRO  54   6.897   3.653   3.494
  362   1HD   PRO  54          2HD       PRO  54   5.298   2.342   2.520
  363    H    ALA  55           H        ALA  55   2.856   3.064   7.186
  364    HA   ALA  55           HA       ALA  55   0.591   3.666   5.666
  365   1HB   ALA  55          1HB       ALA  55   1.314   4.666   8.422
  366   2HB   ALA  55          2HB       ALA  55  -0.302   4.659   7.712
  367   3HB   ALA  55          3HB       ALA  55   0.519   3.136   8.052
  368    H    ALA  56           H        ALA  56   3.327   5.623   6.517
  369    HA   ALA  56           HA       ALA  56   2.037   8.136   5.978
  370   1HB   ALA  56          1HB       ALA  56   3.769   8.030   7.648
  371   2HB   ALA  56          2HB       ALA  56   4.924   7.433   6.456
  372   3HB   ALA  56          3HB       ALA  56   4.292   9.075   6.328
  373    H    TYR  57           H        TYR  57   3.107   5.736   3.978
  374    HA   TYR  57           HA       TYR  57   4.159   7.582   1.950
  375   1HB   TYR  57          2HB       TYR  57   4.455   4.620   2.337
  376    HD1  TYR  57           1HD      TYR  57   6.991   5.220   0.337
  377    HD2  TYR  57           2HD      TYR  57   5.623   6.618   4.110
  378    HE1  TYR  57           1HE      TYR  57   9.297   5.813   0.947
  379    HE2  TYR  57           2HE      TYR  57   7.928   7.214   4.730
  380    HH   TYR  57           HH       TYR  57  10.459   7.324   2.456
  381    H    VAL  58           H        VAL  58   1.382   5.817   2.755
  382    HA   VAL  58           HA       VAL  58   0.339   6.267   0.046
  383    HB   VAL  58           HB       VAL  58  -1.244   4.427   0.427
  384   1HG1  VAL  58          1HG1      VAL  58   0.411   2.580   0.302
  385   2HG1  VAL  58          2HG1      VAL  58   0.803   3.945  -0.745
  386   3HG1  VAL  58          3HG1      VAL  58   1.668   3.729   0.778
  387   1HG2  VAL  58          1HG2      VAL  58   0.313   3.972   2.973
  388   2HG2  VAL  58          2HG2      VAL  58  -1.365   4.501   2.860
  389   3HG2  VAL  58          3HG2      VAL  58  -0.911   2.889   2.312
  390    H    LYS  59           H        LYS  59  -1.775   7.039  -0.148
  391    HA   LYS  59           HA       LYS  59  -2.737   8.453   2.257
  392   1HB   LYS  59          2HB       LYS  59  -1.914   9.921   0.451
  393   1HG   LYS  59          2HG       LYS  59  -4.884  10.010   0.884
  394   1HD   LYS  59          2HD       LYS  59  -3.098  12.052  -0.442
  395   1HE   LYS  59          2HE       LYS  59  -5.319  13.215  -0.808
  396   1HZ   LYS  59          1HZ       LYS  59  -3.713  14.047   0.793
  397   2HZ   LYS  59          2HZ       LYS  59  -4.345  13.030   1.995
  398   3HZ   LYS  59          3HZ       LYS  59  -5.300  14.273   1.351
  399    H    LYS  60           H        LYS  60  -4.867   8.329   2.797
  400    HA   LYS  60           HA       LYS  60  -6.431   6.177   1.787
  401   1HB   LYS  60          2HB       LYS  60  -7.244   8.538   3.493
  402   1HG   LYS  60          2HG       LYS  60  -5.596   6.850   4.479
  403   1HD   LYS  60          2HD       LYS  60  -6.532   4.785   3.728
  404   1HE   LYS  60          2HE       LYS  60  -9.061   5.753   5.047
  405   1HZ   LYS  60          1HZ       LYS  60  -9.992   3.594   4.736
  406   2HZ   LYS  60          2HZ       LYS  60  -8.601   3.440   5.695
  407   3HZ   LYS  60          3HZ       LYS  60  -8.553   3.008   4.057
  408    H    LEU  61           H        LEU  61  -7.271   6.212  -0.206
  409    HA   LEU  61           HA       LEU  61  -8.301   8.690  -1.322
  410   1HB   LEU  61          2HB       LEU  61  -8.161   5.868  -2.376
  411    HG   LEU  61           HG       LEU  61  -6.011   7.210  -2.503
  412   1HD1  LEU  61          1HD1      LEU  61  -7.351   6.424  -5.091
  413   2HD1  LEU  61          2HD1      LEU  61  -5.617   6.627  -4.847
  414   3HD1  LEU  61          3HD1      LEU  61  -6.482   5.346  -3.999
  415   1HD2  LEU  61          1HD2      LEU  61  -6.855   9.425  -2.888
  416   2HD2  LEU  61          2HD2      LEU  61  -5.952   8.926  -4.312
  417   3HD2  LEU  61          3HD2      LEU  61  -7.715   8.904  -4.336
  418    H    ASP  62           H        ASP  62  -9.371   7.391   1.083
  419    HA   ASP  62           HA       ASP  62 -12.166   7.031   0.250
  420   1HB   ASP  62          2HB       ASP  62 -11.287   4.917   1.093
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -14.538  -8.174  -1.906
    2   2H    MET   1          2H        MET   1 -13.063  -8.484  -1.125
    3   3H    MET   1          3H        MET   1 -14.491  -8.350  -0.218
    4    HA   MET   1           HA       MET   1 -15.387 -10.316  -1.269
    5   1HB   MET   1          2HB       MET   1 -14.048 -11.662  -2.757
    6   1HG   MET   1          2HG       MET   1 -11.884  -9.610  -2.365
    7   1HE   MET   1          1HE       MET   1  -9.459 -11.367  -3.275
    8   2HE   MET   1          2HE       MET   1  -9.277 -10.870  -4.957
    9   3HE   MET   1          3HE       MET   1  -9.650  -9.669  -3.717
   10    H    ASP   2           H        ASP   2 -12.343  -9.474   0.172
   11    HA   ASP   2           HA       ASP   2 -12.563 -11.445   2.236
   12   1HB   ASP   2          2HB       ASP   2 -11.784 -12.948   0.469
   13    H    GLU   3           H        GLU   3 -11.500  -8.605   0.995
   14    HA   GLU   3           HA       GLU   3  -8.901  -8.486   2.286
   15   1HB   GLU   3          2HB       GLU   3 -10.314  -6.185   0.920
   16   1HG   GLU   3          2HG       GLU   3  -8.661  -6.797  -0.991
   17    H    THR   4           H        THR   4 -11.646  -8.443   3.802
   18    HA   THR   4           HA       THR   4 -12.500  -7.476   5.745
   19    HB   THR   4           HB       THR   4  -9.889  -5.927   5.805
   20    HG1  THR   4           1HG      THR   4 -10.586  -8.531   6.443
   21   1HG2  THR   4          1HG2      THR   4 -11.619  -4.897   7.205
   22   2HG2  THR   4          2HG2      THR   4 -10.363  -5.645   8.193
   23   3HG2  THR   4          3HG2      THR   4 -11.917  -6.453   7.984
   24    H    GLY   5           H        GLY   5 -11.325  -5.430   3.171
   25   1HA   GLY   5          1HA       GLY   5 -13.672  -3.986   2.882
   26   2HA   GLY   5          2HA       GLY   5 -12.620  -3.029   3.918
   27    H    LYS   6           H        LYS   6 -13.146  -1.750   1.709
   28    HA   LYS   6           HA       LYS   6 -10.634  -1.993   0.257
   29   1HB   LYS   6          2HB       LYS   6 -12.496  -3.129  -1.034
   30   1HG   LYS   6          2HG       LYS   6 -11.905  -2.182  -3.154
   31   1HD   LYS   6          2HD       LYS   6  -9.496  -2.315  -3.026
   32   1HE   LYS   6          2HE       LYS   6  -9.280  -4.416  -1.693
   33   1HZ   LYS   6          1HZ       LYS   6 -10.147  -4.524  -3.952
   34   2HZ   LYS   6          2HZ       LYS   6 -11.729  -4.306  -3.373
   35   3HZ   LYS   6          3HZ       LYS   6 -10.855  -5.705  -2.958
   36    H    GLU   7           H        GLU   7 -10.496  -0.187   1.961
   37    HA   GLU   7           HA       GLU   7 -11.606   2.315   1.376
   38   1HB   GLU   7          2HB       GLU   7  -8.965   1.610   2.642
   39   1HG   GLU   7          2HG       GLU   7 -10.287   2.686   4.648
   40    H    LEU   8           H        LEU   8  -9.080   0.569  -0.270
   41    HA   LEU   8           HA       LEU   8  -7.522   1.087  -1.832
   42   1HB   LEU   8          2HB       LEU   8  -9.456   3.332  -2.396
   43    HG   LEU   8           HG       LEU   8 -10.275   1.028  -2.954
   44   1HD1  LEU   8          1HD1      LEU   8 -11.074   3.002  -4.151
   45   2HD1  LEU   8          2HD1      LEU   8  -9.728   2.870  -5.284
   46   3HD1  LEU   8          3HD1      LEU   8 -10.962   1.610  -5.229
   47   1HD2  LEU   8          1HD2      LEU   8  -9.233  -0.071  -4.913
   48   2HD2  LEU   8          2HD2      LEU   8  -7.913   1.099  -4.835
   49   3HD2  LEU   8          3HD2      LEU   8  -8.170  -0.034  -3.507
   50    H    VAL   9           H        VAL   9  -5.637   2.255  -2.155
   51    HA   VAL   9           HA       VAL   9  -5.310   4.738  -0.630
   52    HB   VAL   9           HB       VAL   9  -2.945   3.913  -0.037
   53   1HG1  VAL   9          1HG1      VAL   9  -5.352   2.767   1.358
   54   2HG1  VAL   9          2HG1      VAL   9  -3.733   2.879   2.046
   55   3HG1  VAL   9          3HG1      VAL   9  -4.621   4.347   1.644
   56   1HG2  VAL   9          1HG2      VAL   9  -2.778   1.477   0.337
   57   2HG2  VAL   9          2HG2      VAL   9  -4.308   1.271  -0.519
   58   3HG2  VAL   9          3HG2      VAL   9  -2.901   1.906  -1.372
   59    H    LEU  10           H        LEU  10  -3.766   6.130  -1.402
   60    HA   LEU  10           HA       LEU  10  -2.861   5.567  -4.136
   61   1HB   LEU  10          2HB       LEU  10  -4.171   7.438  -4.307
   62    HG   LEU  10           HG       LEU  10  -1.462   8.547  -3.673
   63   1HD1  LEU  10          1HD1      LEU  10  -1.654   7.194  -5.683
   64   2HD1  LEU  10          2HD1      LEU  10  -2.990   8.201  -6.241
   65   3HD1  LEU  10          3HD1      LEU  10  -1.373   8.889  -6.088
   66   1HD2  LEU  10          1HD2      LEU  10  -3.860  10.057  -4.701
   67   2HD2  LEU  10          2HD2      LEU  10  -3.103  10.262  -3.121
   68   3HD2  LEU  10          3HD2      LEU  10  -2.215  10.681  -4.587
   69    H    ALA  11           H        ALA  11  -0.743   5.330  -4.479
   70    HA   ALA  11           HA       ALA  11   1.128   5.618  -2.324
   71   1HB   ALA  11          1HB       ALA  11   1.367   3.831  -3.976
   72   2HB   ALA  11          2HB       ALA  11   1.602   5.028  -5.248
   73   3HB   ALA  11          3HB       ALA  11   2.795   4.867  -3.958
   74    H    LEU  12           H        LEU  12   1.870   7.538  -1.705
   75    HA   LEU  12           HA       LEU  12   1.844   9.828  -3.480
   76   1HB   LEU  12          2HB       LEU  12   3.019   9.639  -0.703
   77    HG   LEU  12           HG       LEU  12   0.594   8.976  -0.662
   78   1HD1  LEU  12          1HD1      LEU  12   0.003  10.539   1.125
   79   2HD1  LEU  12          2HD1      LEU  12   1.680  10.008   1.261
   80   3HD1  LEU  12          3HD1      LEU  12   1.311  11.611   0.623
   81   1HD2  LEU  12          1HD2      LEU  12  -1.077  10.685  -1.127
   82   2HD2  LEU  12          2HD2      LEU  12   0.186  11.799  -1.651
   83   3HD2  LEU  12          3HD2      LEU  12  -0.133  10.330  -2.574
   84    H    TYR  13           H        TYR  13   4.198   7.716  -1.957
   85    HA   TYR  13           HA       TYR  13   6.317   9.053  -3.502
   86   1HB   TYR  13          2HB       TYR  13   6.848   7.516  -0.965
   87    HD1  TYR  13           1HD      TYR  13   6.439   8.258   1.175
   88    HD2  TYR  13           2HD      TYR  13   5.950  10.994  -2.040
   89    HE1  TYR  13           1HE      TYR  13   5.525   9.924   2.735
   90    HE2  TYR  13           2HE      TYR  13   5.044  12.664  -0.495
   91    HH   TYR  13           HH       TYR  13   5.326  12.457   2.816
   92    H    ASP  14           H        ASP  14   7.926   7.663  -4.398
   93    HA   ASP  14           HA       ASP  14   6.856   5.072  -5.072
   94   1HB   ASP  14          2HB       ASP  14   8.852   4.926  -6.573
   95    H    TYR  15           H        TYR  15   7.555   3.149  -4.334
   96    HA   TYR  15           HA       TYR  15   9.520   3.308  -2.148
   97   1HB   TYR  15          2HB       TYR  15   7.157   3.306  -1.329
   98    HD1  TYR  15           1HD      TYR  15   9.441   3.304   0.200
   99    HD2  TYR  15           2HD      TYR  15   6.998  -0.054  -0.708
  100    HE1  TYR  15           1HE      TYR  15  10.236   2.181   2.233
  101    HE2  TYR  15           2HE      TYR  15   7.799  -1.193   1.317
  102    HH   TYR  15           HH       TYR  15   9.482   0.411   3.781
  103    H    GLN  16           H        GLN  16  11.079   1.862  -2.245
  104    HA   GLN  16           HA       GLN  16  10.654  -0.548  -3.857
  105   1HB   GLN  16          2HB       GLN  16  12.566   0.872  -4.526
  106   1HG   GLN  16          2HG       GLN  16  14.263  -0.771  -4.673
  107   1HE2  GLN  16          1HE2      GLN  16  11.783  -2.899  -3.486
  108   2HE2  GLN  16          2HE2      GLN  16  11.149  -3.367  -5.035
  109    H    GLU  17           H        GLU  17   9.990  -2.187  -2.670
  110    HA   GLU  17           HA       GLU  17  10.161  -2.559   0.052
  111   1HB   GLU  17          2HB       GLU  17   9.623  -4.876  -0.364
  112   1HG   GLU  17          2HG       GLU  17  10.628  -4.378  -3.150
  113    H    LYS  18           H        LYS  18  11.703  -3.166   1.448
  114    HA   LYS  18           HA       LYS  18  14.283  -4.026   0.337
  115   1HB   LYS  18          2HB       LYS  18  15.335  -3.065   2.120
  116   1HG   LYS  18          2HG       LYS  18  13.070  -4.054   3.763
  117   1HD   LYS  18          2HD       LYS  18  15.027  -1.927   4.615
  118   1HE   LYS  18          2HE       LYS  18  12.908  -3.454   6.109
  119   1HZ   LYS  18          1HZ       LYS  18  14.409  -1.021   6.906
  120   2HZ   LYS  18          2HZ       LYS  18  13.530  -2.000   7.977
  121   3HZ   LYS  18          3HZ       LYS  18  12.729  -1.168   6.735
  122    H    SER  19           H        SER  19  11.538  -5.340   1.685
  123    HA   SER  19           HA       SER  19  12.909  -7.863   2.176
  124   1HB   SER  19          2HB       SER  19  11.732  -8.206   4.299
  125    HG   SER  19           HG       SER  19  10.850  -5.517   4.233
  126    HA   PRO  20           HA       PRO  20   9.514  -9.489  -0.167
  127   1HB   PRO  20          2HB       PRO  20   9.169 -11.928   1.059
  128   1HG   PRO  20          2HG       PRO  20  10.619 -11.659   2.836
  129   1HD   PRO  20          2HD       PRO  20  12.148  -9.928   2.920
  130    H    ALA  21           H        ALA  21   9.203  -8.714   3.089
  131    HA   ALA  21           HA       ALA  21   6.373  -9.390   3.237
  132   1HB   ALA  21          1HB       ALA  21   8.212  -8.045   5.211
  133   2HB   ALA  21          2HB       ALA  21   6.502  -8.366   5.496
  134   3HB   ALA  21          3HB       ALA  21   7.627  -9.707   5.267
  135    H    GLU  22           H        GLU  22   8.268  -7.027   1.960
  136    HA   GLU  22           HA       GLU  22   6.238  -4.915   2.233
  137   1HB   GLU  22          2HB       GLU  22   9.141  -4.864   1.383
  138   1HG   GLU  22          2HG       GLU  22   7.896  -3.184   3.502
  139    H    VAL  23           H        VAL  23   6.103  -3.562   0.094
  140    HA   VAL  23           HA       VAL  23   6.488  -5.306  -2.246
  141    HB   VAL  23           HB       VAL  23   4.405  -4.883  -3.216
  142   1HG1  VAL  23          1HG1      VAL  23   2.743  -5.574  -1.612
  143   2HG1  VAL  23          2HG1      VAL  23   4.243  -6.484  -1.424
  144   3HG1  VAL  23          3HG1      VAL  23   3.849  -5.191  -0.292
  145   1HG2  VAL  23          1HG2      VAL  23   3.883  -2.788  -1.137
  146   2HG2  VAL  23          2HG2      VAL  23   4.283  -2.488  -2.824
  147   3HG2  VAL  23          3HG2      VAL  23   2.767  -3.280  -2.403
  148    H    THR  24           H        THR  24   7.012  -4.307  -4.135
  149    HA   THR  24           HA       THR  24   8.011  -1.617  -4.047
  150    HB   THR  24           HB       THR  24   7.678  -3.399  -6.471
  151    HG1  THR  24           1HG      THR  24   8.921  -4.400  -4.740
  152   1HG2  THR  24          1HG2      THR  24   9.533  -1.090  -5.885
  153   2HG2  THR  24          2HG2      THR  24   8.170  -1.080  -7.004
  154   3HG2  THR  24          3HG2      THR  24   9.578  -2.087  -7.337
  155    H    MET  25           H        MET  25   6.880   0.176  -4.521
  156    HA   MET  25           HA       MET  25   4.550  -0.052  -6.286
  157   1HB   MET  25          2HB       MET  25   3.126   1.197  -4.844
  158   1HG   MET  25          2HG       MET  25   5.476   1.542  -2.995
  159   1HE   MET  25          1HE       MET  25   3.660   3.671  -0.237
  160   2HE   MET  25          2HE       MET  25   5.208   3.047  -0.801
  161   3HE   MET  25          3HE       MET  25   4.356   4.272  -1.741
  162    H    LYS  26           H        LYS  26   4.262   1.658  -7.633
  163    HA   LYS  26           HA       LYS  26   6.263   3.771  -7.512
  164   1HB   LYS  26          2HB       LYS  26   5.982   2.432  -9.612
  165   1HG   LYS  26          2HG       LYS  26   5.684   4.327 -11.202
  166   1HD   LYS  26          2HD       LYS  26   7.666   5.611 -10.423
  167   1HE   LYS  26          2HE       LYS  26   7.791   3.293 -11.521
  168   1HZ   LYS  26          1HZ       LYS  26   7.301   1.963  -9.542
  169   2HZ   LYS  26          2HZ       LYS  26   8.708   2.545  -8.796
  170   3HZ   LYS  26          3HZ       LYS  26   8.823   1.588 -10.184
  171    H    LYS  27           H        LYS  27   5.670   5.892  -7.187
  172    HA   LYS  27           HA       LYS  27   3.181   6.387  -5.982
  173   1HB   LYS  27          2HB       LYS  27   3.870   8.574  -5.621
  174   1HG   LYS  27          2HG       LYS  27   4.341   9.010  -8.121
  175   1HD   LYS  27          2HD       LYS  27   6.980   8.033  -7.128
  176   1HE   LYS  27          2HE       LYS  27   6.739   9.957  -9.415
  177   1HZ   LYS  27          1HZ       LYS  27   9.146  10.149  -9.030
  178   2HZ   LYS  27          2HZ       LYS  27   8.678   8.577  -9.467
  179   3HZ   LYS  27          3HZ       LYS  27   9.045   8.936  -7.849
  180    H    GLY  28           H        GLY  28   1.413   7.560  -6.649
  181   1HA   GLY  28          1HA       GLY  28   0.053   8.604  -8.302
  182   2HA   GLY  28          2HA       GLY  28   1.148   8.001  -9.540
  183    H    ASP  29           H        ASP  29   1.128   5.334  -8.086
  184    HA   ASP  29           HA       ASP  29  -1.080   4.208  -9.534
  185   1HB   ASP  29          2HB       ASP  29   1.117   3.069  -7.844
  186    H    ILE  30           H        ILE  30  -2.857   3.113  -8.703
  187    HA   ILE  30           HA       ILE  30  -3.640   3.897  -5.976
  188    HB   ILE  30           HB       ILE  30  -5.386   2.697  -8.131
  189   1HG1  ILE  30          2HG1      ILE  30  -4.570   4.832  -8.936
  190   1HG2  ILE  30          1HG2      ILE  30  -6.243   2.380  -5.885
  191   2HG2  ILE  30          2HG2      ILE  30  -6.084   4.105  -5.561
  192   3HG2  ILE  30          3HG2      ILE  30  -7.238   3.537  -6.767
  193   1HD1  ILE  30          1HD1      ILE  30  -5.578   6.043  -6.378
  194   2HD1  ILE  30          2HD1      ILE  30  -3.887   5.875  -6.847
  195   3HD1  ILE  30          3HD1      ILE  30  -4.959   6.919  -7.777
  196    H    LEU  31           H        LEU  31  -3.416   2.383  -4.429
  197    HA   LEU  31           HA       LEU  31  -3.068  -0.390  -5.332
  198   1HB   LEU  31          2HB       LEU  31  -2.473   0.368  -2.532
  199    HG   LEU  31           HG       LEU  31  -1.264   2.190  -3.508
  200   1HD1  LEU  31          1HD1      LEU  31  -0.131   0.765  -1.830
  201   2HD1  LEU  31          2HD1      LEU  31   0.632  -0.114  -3.157
  202   3HD1  LEU  31          3HD1      LEU  31   0.980   1.600  -2.918
  203   1HD2  LEU  31          1HD2      LEU  31   0.322   1.910  -5.323
  204   2HD2  LEU  31          2HD2      LEU  31  -0.107   0.204  -5.449
  205   3HD2  LEU  31          3HD2      LEU  31  -1.301   1.441  -5.841
  206    H    THR  32           H        THR  32  -3.980  -2.088  -4.085
  207    HA   THR  32           HA       THR  32  -6.615  -1.472  -3.058
  208    HB   THR  32           HB       THR  32  -5.168  -4.106  -3.401
  209    HG1  THR  32           1HG      THR  32  -6.988  -4.215  -5.063
  210   1HG2  THR  32          1HG2      THR  32  -7.382  -5.130  -3.032
  211   2HG2  THR  32          2HG2      THR  32  -8.041  -3.535  -2.650
  212   3HG2  THR  32          3HG2      THR  32  -6.807  -4.258  -1.613
  213    H    LEU  33           H        LEU  33  -7.050  -1.233  -0.936
  214    HA   LEU  33           HA       LEU  33  -4.926  -1.604   0.958
  215   1HB   LEU  33          2HB       LEU  33  -7.339  -0.063   0.884
  216    HG   LEU  33           HG       LEU  33  -5.368   1.082   1.479
  217   1HD1  LEU  33          1HD1      LEU  33  -7.113   0.664   3.894
  218   2HD1  LEU  33          2HD1      LEU  33  -5.861   1.906   3.786
  219   3HD1  LEU  33          3HD1      LEU  33  -7.233   1.935   2.677
  220   1HD2  LEU  33          1HD2      LEU  33  -5.000  -0.956   3.676
  221   2HD2  LEU  33          2HD2      LEU  33  -4.020  -0.796   2.218
  222   3HD2  LEU  33          3HD2      LEU  33  -4.002   0.478   3.439
  223    H    LEU  34           H        LEU  34  -4.629  -3.277   2.230
  224    HA   LEU  34           HA       LEU  34  -6.683  -5.384   2.332
  225   1HB   LEU  34          2HB       LEU  34  -3.678  -5.528   2.587
  226    HG   LEU  34           HG       LEU  34  -4.424  -5.313   0.238
  227   1HD1  LEU  34          1HD1      LEU  34  -3.436  -8.075   0.898
  228   2HD1  LEU  34          2HD1      LEU  34  -3.198  -7.192  -0.607
  229   3HD1  LEU  34          3HD1      LEU  34  -2.430  -6.626   0.875
  230   1HD2  LEU  34          1HD2      LEU  34  -6.644  -6.300   0.438
  231   2HD2  LEU  34          2HD2      LEU  34  -5.696  -7.130  -0.793
  232   3HD2  LEU  34          3HD2      LEU  34  -5.927  -7.870   0.790
  233    H    ASN  35           H        ASN  35  -4.635  -3.281   4.147
  234    HA   ASN  35           HA       ASN  35  -6.078  -3.858   6.570
  235   1HB   ASN  35          2HB       ASN  35  -4.553  -5.412   7.228
  236   1HD2  ASN  35          1HD2      ASN  35  -1.997  -3.071   6.812
  237   2HD2  ASN  35          2HD2      ASN  35  -1.798  -2.728   8.494
  238    H    SER  36           H        SER  36  -6.370  -2.014   7.655
  239    HA   SER  36           HA       SER  36  -4.341   0.104   7.408
  240   1HB   SER  36          2HB       SER  36  -6.288   1.740   7.471
  241    HG   SER  36           HG       SER  36  -8.191   0.458   6.386
  242    H    THR  37           H        THR  37  -5.611  -2.025   9.418
  243    HA   THR  37           HA       THR  37  -6.383  -0.275  11.586
  244    HB   THR  37           HB       THR  37  -7.639  -2.349  11.241
  245    HG1  THR  37           1HG      THR  37  -6.143  -2.408  13.680
  246   1HG2  THR  37          1HG2      THR  37  -6.643  -4.525  11.744
  247   2HG2  THR  37          2HG2      THR  37  -5.078  -3.757  12.003
  248   3HG2  THR  37          3HG2      THR  37  -5.806  -3.751  10.397
  249    H    ASN  38           H        ASN  38  -3.501  -1.374  10.388
  250    HA   ASN  38           HA       ASN  38  -2.156  -1.380  12.989
  251   1HB   ASN  38          2HB       ASN  38  -1.556  -3.043  11.150
  252   1HD2  ASN  38          1HD2      ASN  38   1.105  -2.800  10.309
  253   2HD2  ASN  38          2HD2      ASN  38   2.100  -2.771  11.728
  254    H    LYS  39           H        LYS  39  -0.714   0.296  13.584
  255    HA   LYS  39           HA       LYS  39  -1.548   2.800  12.412
  256   1HB   LYS  39          2HB       LYS  39  -0.724   3.871  14.331
  257   1HG   LYS  39          2HG       LYS  39   0.899   1.441  15.061
  258   1HD   LYS  39          2HD       LYS  39   0.716   4.193  16.279
  259   1HE   LYS  39          2HE       LYS  39   2.175   3.241  18.028
  260   1HZ   LYS  39          1HZ       LYS  39   3.327   3.191  15.288
  261   2HZ   LYS  39          2HZ       LYS  39   4.228   3.260  16.722
  262   3HZ   LYS  39          3HZ       LYS  39   3.200   4.545  16.307
  263    H    ASP  40           H        ASP  40   0.987   0.739  11.749
  264    HA   ASP  40           HA       ASP  40   2.538   2.980  10.649
  265   1HB   ASP  40          2HB       ASP  40   3.571   0.656  12.240
  266    H    TRP  41           H        TRP  41   2.512  -0.594  10.494
  267    HA   TRP  41           HA       TRP  41   3.136  -0.343   7.653
  268   1HB   TRP  41          2HB       TRP  41   3.272  -2.676   9.556
  269    HD1  TRP  41           HD       TRP  41   5.262  -1.663  10.946
  270    HE1  TRP  41           1HE      TRP  41   7.699  -1.079  10.374
  271    HE3  TRP  41           3HE      TRP  41   4.981  -1.958   5.846
  272    HZ2  TRP  41           2HZ      TRP  41   9.294  -0.781   8.057
  273    HZ3  TRP  41           3HZ      TRP  41   7.008  -1.510   4.528
  274    HH2  TRP  41           HH       TRP  41   9.118  -0.934   5.614
  275    H    TRP  42           H        TRP  42   1.513  -0.238   6.334
  276    HA   TRP  42           HA       TRP  42  -0.981  -1.636   6.937
  277   1HB   TRP  42          2HB       TRP  42  -0.207   0.418   4.877
  278    HD1  TRP  42           HD       TRP  42  -1.213   0.077   8.360
  279    HE1  TRP  42           1HE      TRP  42  -2.352   2.217   9.202
  280    HE3  TRP  42           3HE      TRP  42  -2.122   2.246   3.887
  281    HZ2  TRP  42           2HZ      TRP  42  -3.479   4.563   8.081
  282    HZ3  TRP  42           3HZ      TRP  42  -3.227   4.461   3.824
  283    HH2  TRP  42           HH       TRP  42  -3.887   5.590   5.886
  284    H    LYS  43           H        LYS  43  -2.014  -2.810   5.104
  285    HA   LYS  43           HA       LYS  43   0.034  -4.292   3.597
  286   1HB   LYS  43          2HB       LYS  43  -1.425  -5.509   5.429
  287   1HG   LYS  43          2HG       LYS  43  -1.250  -6.702   2.669
  288   1HD   LYS  43          2HD       LYS  43  -1.168  -8.014   5.391
  289   1HE   LYS  43          2HE       LYS  43  -1.396 -10.094   4.124
  290   1HZ   LYS  43          1HZ       LYS  43   0.923  -8.411   3.387
  291   2HZ   LYS  43          2HZ       LYS  43   0.815 -10.051   2.985
  292   3HZ   LYS  43          3HZ       LYS  43   0.830  -9.577   4.614
  293    H    VAL  44           H        VAL  44  -0.142  -4.220   1.456
  294    HA   VAL  44           HA       VAL  44  -2.676  -3.323   0.283
  295    HB   VAL  44           HB       VAL  44  -1.461  -1.751  -1.204
  296   1HG1  VAL  44          1HG1      VAL  44  -1.216  -1.184   1.746
  297   2HG1  VAL  44          2HG1      VAL  44  -1.146   0.028   0.466
  298   3HG1  VAL  44          3HG1      VAL  44  -2.629  -0.888   0.735
  299   1HG2  VAL  44          1HG2      VAL  44   0.855  -2.228   0.670
  300   2HG2  VAL  44          2HG2      VAL  44   0.760  -2.753  -1.014
  301   3HG2  VAL  44          3HG2      VAL  44   0.794  -1.031  -0.628
  302    H    GLU  45           H        GLU  45  -2.663  -3.519  -2.083
  303    HA   GLU  45           HA       GLU  45  -0.925  -5.698  -3.025
  304   1HB   GLU  45          2HB       GLU  45  -3.188  -6.530  -2.660
  305   1HG   GLU  45          2HG       GLU  45  -2.546  -6.133  -5.568
  306    H    VAL  46           H        VAL  46   0.308  -5.101  -4.678
  307    HA   VAL  46           HA       VAL  46  -0.696  -3.028  -6.513
  308    HB   VAL  46           HB       VAL  46   2.222  -3.133  -6.074
  309   1HG1  VAL  46          1HG1      VAL  46   1.633  -1.539  -7.618
  310   2HG1  VAL  46          2HG1      VAL  46   0.148  -1.117  -6.764
  311   3HG1  VAL  46          3HG1      VAL  46   1.703  -0.582  -6.134
  312   1HG2  VAL  46          1HG2      VAL  46   1.501  -3.221  -3.768
  313   2HG2  VAL  46          2HG2      VAL  46   2.119  -1.610  -4.141
  314   3HG2  VAL  46          3HG2      VAL  46   0.379  -1.885  -4.040
  315    H    ASN  47           H        ASN  47  -0.802  -3.778  -8.471
  316    HA   ASN  47           HA       ASN  47  -0.733  -5.109 -10.246
  317   1HB   ASN  47          2HB       ASN  47   1.368  -5.548 -11.323
  318   1HD2  ASN  47          1HD2      ASN  47   2.981  -3.438  -9.194
  319   2HD2  ASN  47          2HD2      ASN  47   4.246  -4.524  -8.731
  320    H    ASP  48           H        ASP  48   1.704  -6.819  -8.253
  321    HA   ASP  48           HA       ASP  48  -0.102  -9.067  -8.020
  322   1HB   ASP  48          2HB       ASP  48   1.037  -9.459 -10.183
  323    H    ARG  49           H        ARG  49   1.694  -6.985  -6.562
  324    HA   ARG  49           HA       ARG  49   3.130  -8.862  -4.807
  325   1HB   ARG  49          2HB       ARG  49   3.578  -5.911  -5.304
  326   1HG   ARG  49          2HG       ARG  49   5.337  -8.292  -5.836
  327   1HD   ARG  49          2HD       ARG  49   5.935  -5.339  -5.965
  328    HE   ARG  49           HE       ARG  49   6.807  -6.343  -8.003
  329   1HH1  ARG  49          2HH1      ARG  49   8.387  -7.172  -4.982
  330   2HH1  ARG  49          1HH1      ARG  49   9.804  -7.807  -5.759
  331   1HH2  ARG  49          2HH2      ARG  49   8.680  -7.136  -9.020
  332   2HH2  ARG  49          1HH2      ARG  49   9.985  -7.775  -8.056
  333    H    GLN  50           H        GLN  50   1.863  -9.381  -3.144
  334    HA   GLN  50           HA       GLN  50   0.225  -7.277  -1.889
  335   1HB   GLN  50          2HB       GLN  50   0.026 -10.217  -1.247
  336   1HG   GLN  50          2HG       GLN  50  -1.512  -8.872  -3.465
  337   1HE2  GLN  50          1HE2      GLN  50  -3.532  -9.496  -2.828
  338   2HE2  GLN  50          2HE2      GLN  50  -4.020 -11.149  -2.684
  339    H    GLY  51           H        GLY  51   1.093  -6.372  -0.129
  340   1HA   GLY  51          1HA       GLY  51   2.480  -7.870   1.876
  341   2HA   GLY  51          2HA       GLY  51   3.594  -7.002   0.826
  342    H    PHE  52           H        PHE  52   4.284  -5.754   2.614
  343    HA   PHE  52           HA       PHE  52   2.264  -3.934   3.721
  344   1HB   PHE  52          2HB       PHE  52   4.863  -4.982   4.804
  345    HD1  PHE  52           1HD      PHE  52   2.084  -3.667   6.777
  346    HD2  PHE  52           2HD      PHE  52   3.848  -7.145   5.079
  347    HE1  PHE  52           1HE      PHE  52   0.659  -5.083   8.201
  348    HE2  PHE  52           2HE      PHE  52   2.428  -8.566   6.493
  349    HZ   PHE  52           HZ       PHE  52   0.831  -7.467   8.128
  350    H    VAL  53           H        VAL  53   2.646  -1.778   3.970
  351    HA   VAL  53           HA       VAL  53   5.094  -0.585   2.865
  352    HB   VAL  53           HB       VAL  53   3.794   1.246   1.823
  353   1HG1  VAL  53          1HG1      VAL  53   3.047   0.044  -0.157
  354   2HG1  VAL  53          2HG1      VAL  53   4.588  -0.581   0.440
  355   3HG1  VAL  53          3HG1      VAL  53   3.096  -1.469   0.751
  356   1HG2  VAL  53          1HG2      VAL  53   1.749   1.068   3.127
  357   2HG2  VAL  53          2HG2      VAL  53   1.400   0.982   1.399
  358   3HG2  VAL  53          3HG2      VAL  53   1.386  -0.487   2.377
  359    HA   PRO  54           HA       PRO  54   4.543   2.067   6.444
  360   1HB   PRO  54          2HB       PRO  54   5.559   4.418   5.194
  361   1HG   PRO  54          2HG       PRO  54   7.021   3.644   3.637
  362   1HD   PRO  54          2HD       PRO  54   5.383   2.423   2.603
  363    H    ALA  55           H        ALA  55   2.815   3.082   7.192
  364    HA   ALA  55           HA       ALA  55   0.668   3.876   5.593
  365   1HB   ALA  55          1HB       ALA  55   1.277   4.637   8.445
  366   2HB   ALA  55          2HB       ALA  55  -0.292   4.785   7.653
  367   3HB   ALA  55          3HB       ALA  55   0.419   3.193   7.913
  368    H    ALA  56           H        ALA  56   3.489   5.606   6.507
  369    HA   ALA  56           HA       ALA  56   2.313   8.221   6.047
  370   1HB   ALA  56          1HB       ALA  56   4.550   9.061   6.615
  371   2HB   ALA  56          2HB       ALA  56   3.914   7.969   7.847
  372   3HB   ALA  56          3HB       ALA  56   5.132   7.398   6.705
  373    H    TYR  57           H        TYR  57   3.140   5.881   4.020
  374    HA   TYR  57           HA       TYR  57   4.420   7.678   2.065
  375   1HB   TYR  57          2HB       TYR  57   4.543   4.700   2.434
  376    HD1  TYR  57           1HD      TYR  57   7.152   4.870   0.632
  377    HD2  TYR  57           2HD      TYR  57   5.798   6.882   4.124
  378    HE1  TYR  57           1HE      TYR  57   9.483   5.278   1.299
  379    HE2  TYR  57           2HE      TYR  57   8.122   7.290   4.796
  380    HH   TYR  57           HH       TYR  57  10.764   6.804   2.692
  381    H    VAL  58           H        VAL  58   1.655   5.775   2.774
  382    HA   VAL  58           HA       VAL  58   0.580   6.312   0.090
  383    HB   VAL  58           HB       VAL  58  -1.020   4.474   0.510
  384   1HG1  VAL  58          1HG1      VAL  58   1.016   4.008  -0.713
  385   2HG1  VAL  58          2HG1      VAL  58   1.893   3.744   0.797
  386   3HG1  VAL  58          3HG1      VAL  58   0.611   2.631   0.312
  387   1HG2  VAL  58          1HG2      VAL  58  -0.622   2.933   2.383
  388   2HG2  VAL  58          2HG2      VAL  58   0.609   4.032   3.010
  389   3HG2  VAL  58          3HG2      VAL  58  -1.078   4.543   2.939
  390    H    LYS  59           H        LYS  59  -1.613   6.988  -0.055
  391    HA   LYS  59           HA       LYS  59  -2.521   8.396   2.371
  392   1HB   LYS  59          2HB       LYS  59  -1.742   9.947   0.636
  393   1HG   LYS  59          2HG       LYS  59  -4.733   9.922   0.941
  394   1HD   LYS  59          2HD       LYS  59  -2.931  12.122  -0.063
  395   1HE   LYS  59          2HE       LYS  59  -4.719  12.996   1.323
  396   1HZ   LYS  59          1HZ       LYS  59  -7.033  12.652   0.668
  397   2HZ   LYS  59          2HZ       LYS  59  -6.310  11.207   1.186
  398   3HZ   LYS  59          3HZ       LYS  59  -6.546  11.494  -0.470
  399    H    LYS  60           H        LYS  60  -4.658   8.303   2.893
  400    HA   LYS  60           HA       LYS  60  -6.216   6.156   1.879
  401   1HB   LYS  60          2HB       LYS  60  -7.024   8.518   3.592
  402   1HG   LYS  60          2HG       LYS  60  -5.370   6.891   4.604
  403   1HD   LYS  60          2HD       LYS  60  -6.224   4.789   3.750
  404   1HE   LYS  60          2HE       LYS  60  -8.366   3.922   4.908
  405   1HZ   LYS  60          1HZ       LYS  60  -8.213   4.328   2.523
  406   2HZ   LYS  60          2HZ       LYS  60  -8.628   5.950   2.770
  407   3HZ   LYS  60          3HZ       LYS  60  -9.739   4.734   3.132
  408    H    LEU  61           H        LEU  61  -7.220   6.119  -0.016
  409    HA   LEU  61           HA       LEU  61  -8.242   8.593  -1.182
  410   1HB   LEU  61          2HB       LEU  61  -8.119   5.747  -2.180
  411    HG   LEU  61           HG       LEU  61  -5.972   7.134  -2.336
  412   1HD1  LEU  61          1HD1      LEU  61  -6.422   5.157  -3.699
  413   2HD1  LEU  61          2HD1      LEU  61  -7.277   6.156  -4.877
  414   3HD1  LEU  61          3HD1      LEU  61  -5.548   6.385  -4.617
  415   1HD2  LEU  61          1HD2      LEU  61  -5.956   8.709  -4.275
  416   2HD2  LEU  61          2HD2      LEU  61  -7.717   8.657  -4.269
  417   3HD2  LEU  61          3HD2      LEU  61  -6.847   9.291  -2.871
  418    H    ASP  62           H        ASP  62  -9.337   7.803   1.239
  419    HA   ASP  62           HA       ASP  62 -12.106   7.198   0.539
  420   1HB   ASP  62          2HB       ASP  62 -11.211   5.037   1.170
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -15.429  -2.924  -2.652
    2   2H    MET   1          2H        MET   1 -17.081  -2.832  -2.287
    3   3H    MET   1          3H        MET   1 -16.403  -4.304  -2.786
    4    HA   MET   1           HA       MET   1 -15.802  -2.849  -0.282
    5   1HB   MET   1          2HB       MET   1 -17.986  -3.905  -0.223
    6   1HG   MET   1          2HG       MET   1 -17.762  -5.461   1.600
    7   1HE   MET   1          1HE       MET   1 -16.086  -3.749   4.670
    8   2HE   MET   1          2HE       MET   1 -17.242  -4.963   4.118
    9   3HE   MET   1          3HE       MET   1 -15.517  -5.189   3.825
   10    H    ASP   2           H        ASP   2 -15.142  -5.740  -2.278
   11    HA   ASP   2           HA       ASP   2 -12.936  -6.380  -0.422
   12   1HB   ASP   2          2HB       ASP   2 -12.906  -8.635  -1.387
   13    H    GLU   3           H        GLU   3 -13.616  -6.187  -3.912
   14    HA   GLU   3           HA       GLU   3 -10.898  -5.256  -4.331
   15   1HB   GLU   3          2HB       GLU   3 -10.838  -7.751  -4.550
   16   1HG   GLU   3          2HG       GLU   3 -10.409  -6.318  -7.162
   17    H    THR   4           H        THR   4 -10.666  -4.442  -6.674
   18    HA   THR   4           HA       THR   4 -11.408  -3.113  -8.434
   19    HB   THR   4           HB       THR   4 -14.140  -4.348  -8.001
   20    HG1  THR   4           1HG      THR   4 -11.804  -5.291  -9.325
   21   1HG2  THR   4          1HG2      THR   4 -12.813  -3.143 -10.434
   22   2HG2  THR   4          2HG2      THR   4 -14.097  -2.396  -9.483
   23   3HG2  THR   4          3HG2      THR   4 -14.417  -3.875 -10.389
   24    H    GLY   5           H        GLY   5 -13.154  -3.077  -5.425
   25   1HA   GLY   5          1HA       GLY   5 -13.219  -0.192  -5.495
   26   2HA   GLY   5          2HA       GLY   5 -14.803  -0.961  -5.470
   27    H    LYS   6           H        LYS   6 -12.872   0.570  -3.548
   28    HA   LYS   6           HA       LYS   6 -13.930  -0.264  -1.135
   29   1HB   LYS   6          2HB       LYS   6 -12.112  -1.433  -0.034
   30   1HG   LYS   6          2HG       LYS   6 -10.647  -1.792  -2.619
   31   1HD   LYS   6          2HD       LYS   6  -8.934  -2.663  -1.344
   32   1HE   LYS   6          2HE       LYS   6 -11.200  -3.943  -1.018
   33   1HZ   LYS   6          1HZ       LYS   6 -12.046  -2.820   0.878
   34   2HZ   LYS   6          2HZ       LYS   6 -10.590  -2.964   1.716
   35   3HZ   LYS   6          3HZ       LYS   6 -11.529  -4.344   1.409
   36    H    GLU   7           H        GLU   7 -11.675   0.236   0.536
   37    HA   GLU   7           HA       GLU   7 -11.628   2.978   0.720
   38   1HB   GLU   7          2HB       GLU   7  -9.456   1.058   1.593
   39   1HG   GLU   7          2HG       GLU   7 -10.481   1.309   3.830
   40    H    LEU   8           H        LEU   8  -9.161   0.880  -0.741
   41    HA   LEU   8           HA       LEU   8  -7.509   1.213  -2.239
   42   1HB   LEU   8          2HB       LEU   8  -9.354   3.433  -3.106
   43    HG   LEU   8           HG       LEU   8 -10.187   1.085  -3.450
   44   1HD1  LEU   8          1HD1      LEU   8  -9.589   2.736  -5.900
   45   2HD1  LEU   8          2HD1      LEU   8 -10.786   1.443  -5.808
   46   3HD1  LEU   8          3HD1      LEU   8 -10.983   2.899  -4.834
   47   1HD2  LEU   8          1HD2      LEU   8  -7.809   0.939  -5.300
   48   2HD2  LEU   8          2HD2      LEU   8  -8.070  -0.029  -3.848
   49   3HD2  LEU   8          3HD2      LEU   8  -9.133  -0.226  -5.241
   50    H    VAL   9           H        VAL   9  -5.503   2.064  -2.101
   51    HA   VAL   9           HA       VAL   9  -5.311   4.683  -0.789
   52    HB   VAL   9           HB       VAL   9  -2.991   3.915  -0.044
   53   1HG1  VAL   9          1HG1      VAL   9  -5.448   2.646   1.152
   54   2HG1  VAL   9          2HG1      VAL   9  -3.898   2.849   1.967
   55   3HG1  VAL   9          3HG1      VAL   9  -4.837   4.266   1.495
   56   1HG2  VAL   9          1HG2      VAL   9  -2.814   1.926  -1.425
   57   2HG2  VAL   9          2HG2      VAL   9  -2.738   1.492   0.284
   58   3HG2  VAL   9          3HG2      VAL   9  -4.224   1.227  -0.629
   59    H    LEU  10           H        LEU  10  -3.999   6.173  -1.575
   60    HA   LEU  10           HA       LEU  10  -2.961   5.705  -4.260
   61   1HB   LEU  10          2HB       LEU  10  -4.257   7.578  -4.393
   62    HG   LEU  10           HG       LEU  10  -1.595   8.639  -3.567
   63   1HD1  LEU  10          1HD1      LEU  10  -1.493   9.308  -5.899
   64   2HD1  LEU  10          2HD1      LEU  10  -1.811   7.578  -5.749
   65   3HD1  LEU  10          3HD1      LEU  10  -3.123   8.682  -6.159
   66   1HD2  LEU  10          1HD2      LEU  10  -3.166  10.281  -2.764
   67   2HD2  LEU  10          2HD2      LEU  10  -2.376  10.884  -4.221
   68   3HD2  LEU  10          3HD2      LEU  10  -4.025  10.258  -4.304
   69    H    ALA  11           H        ALA  11  -0.856   5.306  -4.490
   70    HA   ALA  11           HA       ALA  11   1.019   5.549  -2.387
   71   1HB   ALA  11          1HB       ALA  11   2.672   4.881  -4.034
   72   2HB   ALA  11          2HB       ALA  11   1.211   3.908  -4.219
   73   3HB   ALA  11          3HB       ALA  11   1.542   5.225  -5.345
   74    H    LEU  12           H        LEU  12   2.033   7.309  -1.675
   75    HA   LEU  12           HA       LEU  12   1.852   9.775  -3.218
   76   1HB   LEU  12          2HB       LEU  12   3.025   9.306  -0.474
   77    HG   LEU  12           HG       LEU  12   0.588   8.827  -0.466
   78   1HD1  LEU  12          1HD1      LEU  12   1.369  11.422   0.850
   79   2HD1  LEU  12          2HD1      LEU  12   0.004  10.403   1.303
   80   3HD1  LEU  12          3HD1      LEU  12   1.651   9.803   1.490
   81   1HD2  LEU  12          1HD2      LEU  12  -1.002  10.603  -0.959
   82   2HD2  LEU  12          2HD2      LEU  12   0.317  11.672  -1.439
   83   3HD2  LEU  12          3HD2      LEU  12  -0.037  10.227  -2.386
   84    H    TYR  13           H        TYR  13   4.276   7.523  -2.066
   85    HA   TYR  13           HA       TYR  13   6.308   9.101  -3.472
   86   1HB   TYR  13          2HB       TYR  13   6.920   7.603  -0.934
   87    HD1  TYR  13           1HD      TYR  13   6.145   8.244   1.112
   88    HD2  TYR  13           2HD      TYR  13   6.153  11.118  -2.011
   89    HE1  TYR  13           1HE      TYR  13   5.142   9.888   2.637
   90    HE2  TYR  13           2HE      TYR  13   5.151  12.773  -0.504
   91    HH   TYR  13           HH       TYR  13   4.914  12.256   2.894
   92    H    ASP  14           H        ASP  14   7.935   7.896  -4.501
   93    HA   ASP  14           HA       ASP  14   7.363   5.224  -5.241
   94   1HB   ASP  14          2HB       ASP  14   8.703   6.412  -6.759
   95    H    TYR  15           H        TYR  15   7.837   3.354  -4.352
   96    HA   TYR  15           HA       TYR  15   9.528   3.386  -1.940
   97   1HB   TYR  15          2HB       TYR  15   7.107   3.396  -1.345
   98    HD1  TYR  15           1HD      TYR  15   9.021   3.365   0.515
   99    HD2  TYR  15           2HD      TYR  15   7.050  -0.081  -1.012
  100    HE1  TYR  15           1HE      TYR  15   9.629   2.125   2.541
  101    HE2  TYR  15           2HE      TYR  15   7.670  -1.331   0.999
  102    HH   TYR  15           HH       TYR  15   8.871   0.166   3.807
  103    H    GLN  16           H        GLN  16  11.146   2.028  -2.099
  104    HA   GLN  16           HA       GLN  16  10.831  -0.376  -3.743
  105   1HB   GLN  16          2HB       GLN  16  12.764   1.070  -4.256
  106   1HG   GLN  16          2HG       GLN  16  14.503  -0.528  -4.306
  107   1HE2  GLN  16          1HE2      GLN  16  12.111  -2.788  -3.265
  108   2HE2  GLN  16          2HE2      GLN  16  11.585  -3.286  -4.842
  109    H    GLU  17           H        GLU  17  10.121  -2.048  -2.657
  110    HA   GLU  17           HA       GLU  17  10.101  -2.491   0.068
  111   1HB   GLU  17          2HB       GLU  17   9.648  -4.816  -0.449
  112   1HG   GLU  17          2HG       GLU  17  10.781  -4.195  -3.158
  113    H    LYS  18           H        LYS  18  11.556  -3.153   1.552
  114    HA   LYS  18           HA       LYS  18  14.265  -3.731   0.605
  115   1HB   LYS  18          2HB       LYS  18  15.071  -2.929   2.581
  116   1HG   LYS  18          2HG       LYS  18  12.764  -4.262   3.928
  117   1HD   LYS  18          2HD       LYS  18  14.838  -2.453   5.160
  118   1HE   LYS  18          2HE       LYS  18  13.573  -2.928   7.263
  119   1HZ   LYS  18          1HZ       LYS  18  14.848  -5.300   6.003
  120   2HZ   LYS  18          2HZ       LYS  18  14.594  -5.074   7.664
  121   3HZ   LYS  18          3HZ       LYS  18  15.660  -4.061   6.826
  122    H    SER  19           H        SER  19  11.522  -5.383   1.607
  123    HA   SER  19           HA       SER  19  13.012  -7.882   1.788
  124   1HB   SER  19          2HB       SER  19  11.818  -8.561   3.822
  125    HG   SER  19           HG       SER  19  10.766  -5.934   4.012
  126    HA   PRO  20           HA       PRO  20   9.643  -9.294  -0.756
  127   1HB   PRO  20          2HB       PRO  20   9.472 -11.915   0.010
  128   1HG   PRO  20          2HG       PRO  20  10.883 -11.862   1.840
  129   1HD   PRO  20          2HD       PRO  20  12.302 -10.089   2.247
  130    H    ALA  21           H        ALA  21   9.321  -8.848   2.496
  131    HA   ALA  21           HA       ALA  21   6.554  -9.774   2.613
  132   1HB   ALA  21          1HB       ALA  21   6.607  -8.987   4.945
  133   2HB   ALA  21          2HB       ALA  21   7.904 -10.136   4.608
  134   3HB   ALA  21          3HB       ALA  21   8.257  -8.411   4.701
  135    H    GLU  22           H        GLU  22   8.435  -7.080   1.865
  136    HA   GLU  22           HA       GLU  22   6.247  -5.157   2.091
  137   1HB   GLU  22          2HB       GLU  22   9.151  -4.926   1.286
  138   1HG   GLU  22          2HG       GLU  22   7.853  -3.347   3.433
  139    H    VAL  23           H        VAL  23   6.042  -3.710   0.041
  140    HA   VAL  23           HA       VAL  23   6.574  -5.290  -2.377
  141    HB   VAL  23           HB       VAL  23   4.477  -5.033  -3.319
  142   1HG1  VAL  23          1HG1      VAL  23   4.374  -6.606  -1.484
  143   2HG1  VAL  23          2HG1      VAL  23   3.865  -5.314  -0.402
  144   3HG1  VAL  23          3HG1      VAL  23   2.827  -5.800  -1.743
  145   1HG2  VAL  23          1HG2      VAL  23   4.146  -2.694  -3.052
  146   2HG2  VAL  23          2HG2      VAL  23   2.724  -3.535  -2.436
  147   3HG2  VAL  23          3HG2      VAL  23   3.913  -2.881  -1.318
  148    H    THR  24           H        THR  24   7.070  -4.153  -4.190
  149    HA   THR  24           HA       THR  24   7.983  -1.445  -3.860
  150    HB   THR  24           HB       THR  24   7.901  -3.151  -6.360
  151    HG1  THR  24           1HG      THR  24   9.104  -4.097  -4.592
  152   1HG2  THR  24          1HG2      THR  24   9.733  -1.695  -7.118
  153   2HG2  THR  24          2HG2      THR  24   9.567  -0.734  -5.652
  154   3HG2  THR  24          3HG2      THR  24   8.256  -0.778  -6.828
  155    H    MET  25           H        MET  25   6.960   0.381  -4.506
  156    HA   MET  25           HA       MET  25   4.694   0.173  -6.342
  157   1HB   MET  25          2HB       MET  25   3.171   1.324  -4.936
  158   1HG   MET  25          2HG       MET  25   5.423   1.722  -2.978
  159   1HE   MET  25          1HE       MET  25   5.023   3.164  -0.781
  160   2HE   MET  25          2HE       MET  25   4.199   4.394  -1.738
  161   3HE   MET  25          3HE       MET  25   3.439   3.756  -0.281
  162    H    LYS  26           H        LYS  26   4.274   2.042  -7.491
  163    HA   LYS  26           HA       LYS  26   6.219   4.225  -7.145
  164   1HB   LYS  26          2HB       LYS  26   4.729   3.201  -9.552
  165   1HG   LYS  26          2HG       LYS  26   7.068   2.393  -8.960
  166   1HD   LYS  26          2HD       LYS  26   7.745   5.162  -9.955
  167   1HE   LYS  26          2HE       LYS  26   9.237   3.365 -10.796
  168   1HZ   LYS  26          1HZ       LYS  26   9.715   2.909  -7.905
  169   2HZ   LYS  26          2HZ       LYS  26  10.712   2.312  -9.139
  170   3HZ   LYS  26          3HZ       LYS  26   9.099   1.786  -9.022
  171    H    LYS  27           H        LYS  27   5.524   6.237  -6.787
  172    HA   LYS  27           HA       LYS  27   3.025   6.770  -5.737
  173   1HB   LYS  27          2HB       LYS  27   3.720   8.952  -5.485
  174   1HG   LYS  27          2HG       LYS  27   3.926   9.471  -7.910
  175   1HD   LYS  27          2HD       LYS  27   6.762   8.515  -7.510
  176   1HE   LYS  27          2HE       LYS  27   5.422   9.773  -9.895
  177   1HZ   LYS  27          1HZ       LYS  27   8.228   8.891  -9.501
  178   2HZ   LYS  27          2HZ       LYS  27   7.640   9.736 -10.847
  179   3HZ   LYS  27          3HZ       LYS  27   7.091   8.164 -10.530
  180    H    GLY  28           H        GLY  28   1.212   7.795  -6.484
  181   1HA   GLY  28          1HA       GLY  28  -0.205   8.721  -8.123
  182   2HA   GLY  28          2HA       GLY  28   0.988   8.320  -9.348
  183    H    ASP  29           H        ASP  29   1.008   5.554  -7.869
  184    HA   ASP  29           HA       ASP  29  -1.087   4.413  -9.525
  185   1HB   ASP  29          2HB       ASP  29   1.132   3.182  -7.890
  186    H    ILE  30           H        ILE  30  -2.804   3.204  -8.747
  187    HA   ILE  30           HA       ILE  30  -3.547   3.865  -5.982
  188    HB   ILE  30           HB       ILE  30  -5.369   2.830  -8.154
  189   1HG1  ILE  30          2HG1      ILE  30  -4.456   4.929  -8.941
  190   1HG2  ILE  30          1HG2      ILE  30  -7.149   3.722  -6.743
  191   2HG2  ILE  30          2HG2      ILE  30  -6.182   2.527  -5.878
  192   3HG2  ILE  30          3HG2      ILE  30  -5.953   4.248  -5.559
  193   1HD1  ILE  30          1HD1      ILE  30  -4.681   7.009  -7.725
  194   2HD1  ILE  30          2HD1      ILE  30  -5.309   6.135  -6.326
  195   3HD1  ILE  30          3HD1      ILE  30  -3.647   5.876  -6.853
  196    H    LEU  31           H        LEU  31  -3.236   2.310  -4.547
  197    HA   LEU  31           HA       LEU  31  -3.010  -0.458  -5.503
  198   1HB   LEU  31          2HB       LEU  31  -2.359   0.258  -2.698
  199    HG   LEU  31           HG       LEU  31  -1.139   2.068  -3.684
  200   1HD1  LEU  31          1HD1      LEU  31   0.706  -0.277  -3.317
  201   2HD1  LEU  31          2HD1      LEU  31   1.109   1.430  -3.114
  202   3HD1  LEU  31          3HD1      LEU  31  -0.022   0.652  -2.004
  203   1HD2  LEU  31          1HD2      LEU  31   0.048   0.089  -5.625
  204   2HD2  LEU  31          2HD2      LEU  31  -1.194   1.273  -6.033
  205   3HD2  LEU  31          3HD2      LEU  31   0.405   1.814  -5.517
  206    H    THR  32           H        THR  32  -3.932  -2.161  -4.182
  207    HA   THR  32           HA       THR  32  -6.547  -1.453  -3.145
  208    HB   THR  32           HB       THR  32  -5.220  -4.156  -3.475
  209    HG1  THR  32           1HG      THR  32  -5.823  -3.853  -5.482
  210   1HG2  THR  32          1HG2      THR  32  -7.516  -5.049  -3.140
  211   2HG2  THR  32          2HG2      THR  32  -8.048  -3.424  -2.704
  212   3HG2  THR  32          3HG2      THR  32  -6.861  -4.264  -1.700
  213    H    LEU  33           H        LEU  33  -7.008  -1.228  -1.028
  214    HA   LEU  33           HA       LEU  33  -4.878  -1.568   0.879
  215   1HB   LEU  33          2HB       LEU  33  -7.092   0.135   0.706
  216    HG   LEU  33           HG       LEU  33  -5.230   1.098   1.682
  217   1HD1  LEU  33          1HD1      LEU  33  -7.088   0.432   3.954
  218   2HD1  LEU  33          2HD1      LEU  33  -5.859   1.698   3.975
  219   3HD1  LEU  33          3HD1      LEU  33  -7.213   1.801   2.847
  220   1HD2  LEU  33          1HD2      LEU  33  -4.028   0.181   3.605
  221   2HD2  LEU  33          2HD2      LEU  33  -5.108  -1.212   3.616
  222   3HD2  LEU  33          3HD2      LEU  33  -4.034  -0.941   2.245
  223    H    LEU  34           H        LEU  34  -4.627  -3.161   2.228
  224    HA   LEU  34           HA       LEU  34  -6.704  -5.242   2.372
  225   1HB   LEU  34          2HB       LEU  34  -3.711  -5.378   2.732
  226    HG   LEU  34           HG       LEU  34  -4.485  -5.250   0.347
  227   1HD1  LEU  34          1HD1      LEU  34  -3.086  -7.066  -0.388
  228   2HD1  LEU  34          2HD1      LEU  34  -2.387  -6.345   1.060
  229   3HD1  LEU  34          3HD1      LEU  34  -3.255  -7.877   1.170
  230   1HD2  LEU  34          1HD2      LEU  34  -5.742  -7.912   1.004
  231   2HD2  LEU  34          2HD2      LEU  34  -6.610  -6.426   0.611
  232   3HD2  LEU  34          3HD2      LEU  34  -5.592  -7.201  -0.603
  233    H    ASN  35           H        ASN  35  -4.364  -3.379   4.231
  234    HA   ASN  35           HA       ASN  35  -5.948  -3.818   6.643
  235   1HB   ASN  35          2HB       ASN  35  -4.422  -5.394   7.275
  236   1HD2  ASN  35          1HD2      ASN  35  -1.883  -3.022   6.952
  237   2HD2  ASN  35          2HD2      ASN  35  -1.716  -2.704   8.641
  238    H    SER  36           H        SER  36  -6.173  -2.022   7.817
  239    HA   SER  36           HA       SER  36  -4.151   0.089   7.598
  240   1HB   SER  36          2HB       SER  36  -6.102   1.744   7.634
  241    HG   SER  36           HG       SER  36  -7.963   0.790   7.843
  242    H    THR  37           H        THR  37  -5.281  -2.025   9.595
  243    HA   THR  37           HA       THR  37  -6.244  -0.328  11.736
  244    HB   THR  37           HB       THR  37  -7.230  -2.583  11.342
  245    HG1  THR  37           1HG      THR  37  -6.866  -1.417  13.559
  246   1HG2  THR  37          1HG2      THR  37  -6.035  -4.578  12.060
  247   2HG2  THR  37          2HG2      THR  37  -4.610  -3.610  12.435
  248   3HG2  THR  37          3HG2      THR  37  -5.147  -3.774  10.764
  249    H    ASN  38           H        ASN  38  -3.267  -1.561  10.627
  250    HA   ASN  38           HA       ASN  38  -1.913  -1.301  13.187
  251   1HB   ASN  38          2HB       ASN  38  -1.258  -3.032  11.462
  252   1HD2  ASN  38          1HD2      ASN  38   1.370  -2.644  10.473
  253   2HD2  ASN  38          2HD2      ASN  38   2.418  -2.473  11.848
  254    H    LYS  39           H        LYS  39  -0.763   0.472  13.822
  255    HA   LYS  39           HA       LYS  39  -1.397   2.910  12.442
  256   1HB   LYS  39          2HB       LYS  39  -0.637   4.044  14.353
  257   1HG   LYS  39          2HG       LYS  39   1.029   1.632  15.056
  258   1HD   LYS  39          2HD       LYS  39   0.545   4.192  16.566
  259   1HE   LYS  39          2HE       LYS  39   2.873   3.739  16.734
  260   1HZ   LYS  39          1HZ       LYS  39   3.036   1.541  15.896
  261   2HZ   LYS  39          2HZ       LYS  39   2.085   0.910  17.148
  262   3HZ   LYS  39          3HZ       LYS  39   3.637   1.500  17.482
  263    H    ASP  40           H        ASP  40   1.157   0.732  12.143
  264    HA   ASP  40           HA       ASP  40   3.013   2.858  11.295
  265   1HB   ASP  40          2HB       ASP  40   3.684   0.031  12.138
  266    H    TRP  41           H        TRP  41   2.453  -0.582  10.602
  267    HA   TRP  41           HA       TRP  41   3.160  -0.053   7.803
  268   1HB   TRP  41          2HB       TRP  41   3.371  -2.534   9.502
  269    HD1  TRP  41           HD       TRP  41   5.342  -1.311  10.880
  270    HE1  TRP  41           1HE      TRP  41   7.793  -0.813  10.260
  271    HE3  TRP  41           3HE      TRP  41   5.050  -1.969   5.819
  272    HZ2  TRP  41           2HZ      TRP  41   9.385  -0.714   7.936
  273    HZ3  TRP  41           3HZ      TRP  41   7.081  -1.652   4.469
  274    HH2  TRP  41           HH       TRP  41   9.202  -1.038   5.505
  275    H    TRP  42           H        TRP  42   1.710  -0.301   6.256
  276    HA   TRP  42           HA       TRP  42  -0.858  -1.566   6.941
  277   1HB   TRP  42          2HB       TRP  42  -0.093   0.550   4.949
  278    HD1  TRP  42           HD       TRP  42  -0.975   0.181   8.376
  279    HE1  TRP  42           1HE      TRP  42  -2.353   2.160   9.260
  280    HE3  TRP  42           3HE      TRP  42  -2.396   2.159   3.933
  281    HZ2  TRP  42           2HZ      TRP  42  -3.859   4.303   8.187
  282    HZ3  TRP  42           3HZ      TRP  42  -3.811   4.187   3.920
  283    HH2  TRP  42           HH       TRP  42  -4.523   5.235   6.014
  284    H    LYS  43           H        LYS  43  -1.921  -2.726   5.112
  285    HA   LYS  43           HA       LYS  43   0.107  -4.234   3.598
  286   1HB   LYS  43          2HB       LYS  43  -1.339  -5.405   5.477
  287   1HG   LYS  43          2HG       LYS  43  -1.200  -6.703   2.771
  288   1HD   LYS  43          2HD       LYS  43  -0.874  -7.942   5.512
  289   1HE   LYS  43          2HE       LYS  43  -0.044  -9.310   3.598
  290   1HZ   LYS  43          1HZ       LYS  43  -1.593  -8.502   1.911
  291   2HZ   LYS  43          2HZ       LYS  43  -2.874  -9.272   2.708
  292   3HZ   LYS  43          3HZ       LYS  43  -1.611 -10.190   2.040
  293    H    VAL  44           H        VAL  44  -0.075  -4.157   1.464
  294    HA   VAL  44           HA       VAL  44  -2.634  -3.302   0.302
  295    HB   VAL  44           HB       VAL  44  -1.432  -1.787  -1.249
  296   1HG1  VAL  44          1HG1      VAL  44  -1.084  -1.107   1.669
  297   2HG1  VAL  44          2HG1      VAL  44  -1.108   0.045   0.334
  298   3HG1  VAL  44          3HG1      VAL  44  -2.554  -0.886   0.720
  299   1HG2  VAL  44          1HG2      VAL  44   0.785  -2.799  -1.086
  300   2HG2  VAL  44          2HG2      VAL  44   0.846  -1.074  -0.726
  301   3HG2  VAL  44          3HG2      VAL  44   0.919  -2.251   0.585
  302    H    GLU  45           H        GLU  45  -2.753  -3.670  -2.013
  303    HA   GLU  45           HA       GLU  45  -0.960  -5.821  -2.921
  304   1HB   GLU  45          2HB       GLU  45  -3.225  -6.658  -2.629
  305   1HG   GLU  45          2HG       GLU  45  -2.438  -6.262  -5.502
  306    H    VAL  46           H        VAL  46   0.251  -5.351  -4.584
  307    HA   VAL  46           HA       VAL  46  -0.602  -3.323  -6.530
  308    HB   VAL  46           HB       VAL  46   2.285  -3.433  -5.858
  309   1HG1  VAL  46          1HG1      VAL  46   0.374  -1.339  -6.793
  310   2HG1  VAL  46          2HG1      VAL  46   1.974  -0.916  -6.187
  311   3HG1  VAL  46          3HG1      VAL  46   1.814  -1.966  -7.593
  312   1HG2  VAL  46          1HG2      VAL  46   0.315  -2.007  -4.095
  313   2HG2  VAL  46          2HG2      VAL  46   1.375  -3.339  -3.634
  314   3HG2  VAL  46          3HG2      VAL  46   2.060  -1.770  -4.061
  315    H    ASN  47           H        ASN  47  -0.049  -3.908  -8.633
  316    HA   ASN  47           HA       ASN  47   0.168  -5.363 -10.301
  317   1HB   ASN  47          2HB       ASN  47   2.337  -6.575 -10.551
  318   1HD2  ASN  47          1HD2      ASN  47   3.662  -4.184  -8.513
  319   2HD2  ASN  47          2HD2      ASN  47   4.469  -5.253  -7.419
  320    H    ASP  48           H        ASP  48   1.658  -7.598  -7.957
  321    HA   ASP  48           HA       ASP  48  -0.888  -8.908  -7.597
  322   1HB   ASP  48          2HB       ASP  48  -0.237 -11.082  -8.329
  323    H    ARG  49           H        ARG  49   1.876  -7.730  -6.393
  324    HA   ARG  49           HA       ARG  49   2.385  -9.846  -4.476
  325   1HB   ARG  49          2HB       ARG  49   4.241  -8.599  -5.681
  326   1HG   ARG  49          2HG       ARG  49   4.816  -7.948  -2.893
  327   1HD   ARG  49          2HD       ARG  49   6.691  -9.556  -3.325
  328    HE   ARG  49           HE       ARG  49   7.121  -7.225  -3.893
  329   1HH1  ARG  49          2HH1      ARG  49   6.351  -9.332  -6.593
  330   2HH1  ARG  49          1HH1      ARG  49   7.296  -8.424  -7.729
  331   1HH2  ARG  49          2HH2      ARG  49   8.362  -6.049  -5.367
  332   2HH2  ARG  49          1HH2      ARG  49   8.462  -6.561  -7.032
  333    H    GLN  50           H        GLN  50   1.279  -9.895  -2.686
  334    HA   GLN  50           HA       GLN  50   0.037  -7.431  -1.674
  335   1HB   GLN  50          2HB       GLN  50  -0.505 -10.230  -0.677
  336   1HG   GLN  50          2HG       GLN  50  -1.995  -8.940  -2.956
  337   1HE2  GLN  50          1HE2      GLN  50  -4.022  -9.451  -2.301
  338   2HE2  GLN  50          2HE2      GLN  50  -4.571 -11.067  -2.040
  339    H    GLY  51           H        GLY  51   1.271  -6.404  -0.245
  340   1HA   GLY  51          1HA       GLY  51   2.568  -7.907   1.895
  341   2HA   GLY  51          2HA       GLY  51   3.622  -7.043   0.780
  342    H    PHE  52           H        PHE  52   4.345  -5.850   2.646
  343    HA   PHE  52           HA       PHE  52   2.360  -3.984   3.734
  344   1HB   PHE  52          2HB       PHE  52   4.946  -5.057   4.791
  345    HD1  PHE  52           1HD      PHE  52   2.223  -3.517   6.707
  346    HD2  PHE  52           2HD      PHE  52   3.900  -7.149   5.259
  347    HE1  PHE  52           1HE      PHE  52   0.770  -4.796   8.229
  348    HE2  PHE  52           2HE      PHE  52   2.450  -8.430   6.770
  349    HZ   PHE  52           HZ       PHE  52   0.885  -7.168   8.331
  350    H    VAL  53           H        VAL  53   2.696  -1.848   3.906
  351    HA   VAL  53           HA       VAL  53   5.150  -0.626   2.851
  352    HB   VAL  53           HB       VAL  53   3.829   1.187   1.783
  353   1HG1  VAL  53          1HG1      VAL  53   4.692  -0.614   0.403
  354   2HG1  VAL  53          2HG1      VAL  53   3.226  -1.552   0.698
  355   3HG1  VAL  53          3HG1      VAL  53   3.138  -0.042  -0.208
  356   1HG2  VAL  53          1HG2      VAL  53   1.445   0.821   1.296
  357   2HG2  VAL  53          2HG2      VAL  53   1.467  -0.609   2.328
  358   3HG2  VAL  53          3HG2      VAL  53   1.760   0.984   3.024
  359    HA   PRO  54           HA       PRO  54   4.531   1.951   6.458
  360   1HB   PRO  54          2HB       PRO  54   5.462   4.356   5.233
  361   1HG   PRO  54          2HG       PRO  54   6.972   3.646   3.692
  362   1HD   PRO  54          2HD       PRO  54   5.366   2.403   2.624
  363    H    ALA  55           H        ALA  55   2.774   2.939   7.240
  364    HA   ALA  55           HA       ALA  55   0.580   3.652   5.668
  365   1HB   ALA  55          1HB       ALA  55  -0.382   4.567   7.702
  366   2HB   ALA  55          2HB       ALA  55   0.459   3.057   8.055
  367   3HB   ALA  55          3HB       ALA  55   1.207   4.600   8.467
  368    H    ALA  56           H        ALA  56   3.339   5.520   6.638
  369    HA   ALA  56           HA       ALA  56   2.123   8.083   6.131
  370   1HB   ALA  56          1HB       ALA  56   3.828   7.839   7.858
  371   2HB   ALA  56          2HB       ALA  56   5.006   7.355   6.638
  372   3HB   ALA  56          3HB       ALA  56   4.340   8.989   6.623
  373    H    TYR  57           H        TYR  57   3.016   5.741   4.055
  374    HA   TYR  57           HA       TYR  57   4.197   7.608   2.109
  375   1HB   TYR  57          2HB       TYR  57   4.566   4.679   2.537
  376    HD1  TYR  57           1HD      TYR  57   6.966   5.172   0.413
  377    HD2  TYR  57           2HD      TYR  57   5.769   6.879   4.118
  378    HE1  TYR  57           1HE      TYR  57   9.291   5.854   0.840
  379    HE2  TYR  57           2HE      TYR  57   8.089   7.558   4.565
  380    HH   TYR  57           HH       TYR  57  10.397   6.837   3.853
  381    H    VAL  58           H        VAL  58   1.393   5.914   2.847
  382    HA   VAL  58           HA       VAL  58   0.413   6.336   0.108
  383    HB   VAL  58           HB       VAL  58  -1.227   4.538   0.500
  384   1HG1  VAL  58          1HG1      VAL  58   1.669   3.793   0.889
  385   2HG1  VAL  58          2HG1      VAL  58   0.395   2.646   0.458
  386   3HG1  VAL  58          3HG1      VAL  58   0.804   3.963  -0.641
  387   1HG2  VAL  58          1HG2      VAL  58  -1.367   4.681   2.935
  388   2HG2  VAL  58          2HG2      VAL  58  -0.975   3.038   2.422
  389   3HG2  VAL  58          3HG2      VAL  58   0.287   4.085   3.072
  390    H    LYS  59           H        LYS  59  -1.797   7.011  -0.082
  391    HA   LYS  59           HA       LYS  59  -2.785   8.421   2.317
  392   1HB   LYS  59          2HB       LYS  59  -1.913   9.931   0.527
  393   1HG   LYS  59          2HG       LYS  59  -4.870  10.047   1.042
  394   1HD   LYS  59          2HD       LYS  59  -3.056  12.109  -0.202
  395   1HE   LYS  59          2HE       LYS  59  -5.211  13.430  -0.324
  396   1HZ   LYS  59          1HZ       LYS  59  -5.054  14.187   2.006
  397   2HZ   LYS  59          2HZ       LYS  59  -3.551  14.100   1.225
  398   3HZ   LYS  59          3HZ       LYS  59  -3.999  12.898   2.336
  399    H    LYS  60           H        LYS  60  -5.008   8.368   2.701
  400    HA   LYS  60           HA       LYS  60  -6.455   6.175   1.558
  401   1HB   LYS  60          2HB       LYS  60  -7.429   8.445   3.309
  402   1HG   LYS  60          2HG       LYS  60  -5.791   6.724   4.309
  403   1HD   LYS  60          2HD       LYS  60  -6.675   4.681   3.483
  404   1HE   LYS  60          2HE       LYS  60  -8.945   5.291   2.928
  405   1HZ   LYS  60          1HZ       LYS  60  -9.112   6.005   5.742
  406   2HZ   LYS  60          2HZ       LYS  60 -10.479   5.246   5.088
  407   3HZ   LYS  60          3HZ       LYS  60  -9.900   6.681   4.391
  408    H    LEU  61           H        LEU  61  -7.482   6.230  -0.349
  409    HA   LEU  61           HA       LEU  61  -8.498   8.783  -1.344
  410   1HB   LEU  61          2HB       LEU  61  -8.448   6.017  -2.559
  411    HG   LEU  61           HG       LEU  61  -6.222   7.206  -2.618
  412   1HD1  LEU  61          1HD1      LEU  61  -5.883   6.822  -5.002
  413   2HD1  LEU  61          2HD1      LEU  61  -6.855   5.537  -4.285
  414   3HD1  LEU  61          3HD1      LEU  61  -7.627   6.790  -5.257
  415   1HD2  LEU  61          1HD2      LEU  61  -6.070   9.077  -4.276
  416   2HD2  LEU  61          2HD2      LEU  61  -7.830   9.187  -4.233
  417   3HD2  LEU  61          3HD2      LEU  61  -6.887   9.498  -2.774
  418    H    ASP  62           H        ASP  62  -9.364   7.128   0.997
  419    HA   ASP  62           HA       ASP  62 -12.238   6.992   0.411
  420   1HB   ASP  62          2HB       ASP  62 -11.211   4.736   0.768
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -16.049  -1.746 -11.231
    2   2H    MET   1          2H        MET   1 -14.988  -2.977 -10.764
    3   3H    MET   1          3H        MET   1 -14.959  -2.399 -12.356
    4    HA   MET   1           HA       MET   1 -14.164  -0.278 -11.644
    5   1HB   MET   1          2HB       MET   1 -15.299  -0.160  -9.496
    6   1HG   MET   1          2HG       MET   1 -12.342  -0.163  -8.939
    7   1HE   MET   1          1HE       MET   1 -15.666   2.262  -6.838
    8   2HE   MET   1          2HE       MET   1 -15.174   2.531  -8.511
    9   3HE   MET   1          3HE       MET   1 -15.994   1.036  -8.064
   10    H    ASP   2           H        ASP   2 -13.049  -2.937  -9.573
   11    HA   ASP   2           HA       ASP   2 -10.606  -3.174 -11.156
   12   1HB   ASP   2          2HB       ASP   2  -9.223  -3.114  -9.069
   13    H    GLU   3           H        GLU   3 -12.675  -4.313  -8.624
   14    HA   GLU   3           HA       GLU   3 -12.944  -6.880  -9.484
   15   1HB   GLU   3          2HB       GLU   3 -11.688  -8.176  -7.685
   16   1HG   GLU   3          2HG       GLU   3  -9.324  -7.162  -7.350
   17    H    THR   4           H        THR   4 -12.385  -5.613  -6.169
   18    HA   THR   4           HA       THR   4 -15.308  -5.376  -5.954
   19    HB   THR   4           HB       THR   4 -13.650  -6.396  -3.626
   20    HG1  THR   4           1HG      THR   4 -13.626  -8.210  -4.740
   21   1HG2  THR   4          1HG2      THR   4 -15.772  -5.311  -3.048
   22   2HG2  THR   4          2HG2      THR   4 -15.826  -7.042  -2.726
   23   3HG2  THR   4          3HG2      THR   4 -16.625  -6.387  -4.154
   24    H    GLY   5           H        GLY   5 -14.846  -3.086  -6.383
   25   1HA   GLY   5          1HA       GLY   5 -13.002  -1.398  -5.405
   26   2HA   GLY   5          2HA       GLY   5 -14.682  -0.905  -5.561
   27    H    LYS   6           H        LYS   6 -12.236  -0.713  -3.546
   28    HA   LYS   6           HA       LYS   6 -13.889  -0.980  -1.142
   29   1HB   LYS   6          2HB       LYS   6 -12.307  -2.254   0.049
   30   1HG   LYS   6          2HG       LYS   6 -10.217  -1.137  -0.676
   31   1HD   LYS   6          2HD       LYS   6 -10.542  -1.230  -3.119
   32   1HE   LYS   6          2HE       LYS   6 -10.231  -4.202  -2.704
   33   1HZ   LYS   6          1HZ       LYS   6  -8.782  -3.478  -4.527
   34   2HZ   LYS   6          2HZ       LYS   6 -10.106  -2.746  -5.298
   35   3HZ   LYS   6          3HZ       LYS   6 -10.080  -4.427  -5.064
   36    H    GLU   7           H        GLU   7 -11.617  -0.463   0.572
   37    HA   GLU   7           HA       GLU   7 -11.776   2.270   0.883
   38   1HB   GLU   7          2HB       GLU   7  -9.782   0.239   1.802
   39   1HG   GLU   7          2HG       GLU   7 -11.656   0.367   3.259
   40    H    LEU   8           H        LEU   8  -9.197   0.447  -0.754
   41    HA   LEU   8           HA       LEU   8  -7.567   1.013  -2.210
   42   1HB   LEU   8          2HB       LEU   8  -9.486   3.248  -2.851
   43    HG   LEU   8           HG       LEU   8 -10.251   0.923  -3.430
   44   1HD1  LEU   8          1HD1      LEU   8 -11.092   2.870  -4.618
   45   2HD1  LEU   8          2HD1      LEU   8  -9.709   2.818  -5.712
   46   3HD1  LEU   8          3HD1      LEU   8 -10.892   1.510  -5.723
   47   1HD2  LEU   8          1HD2      LEU   8  -7.887   1.048  -5.302
   48   2HD2  LEU   8          2HD2      LEU   8  -8.098  -0.072  -3.955
   49   3HD2  LEU   8          3HD2      LEU   8  -9.169  -0.163  -5.352
   50    H    VAL   9           H        VAL   9  -5.678   2.173  -2.383
   51    HA   VAL   9           HA       VAL   9  -5.469   4.663  -0.845
   52    HB   VAL   9           HB       VAL   9  -3.096   3.916  -0.200
   53   1HG1  VAL   9          1HG1      VAL   9  -4.861   4.249   1.436
   54   2HG1  VAL   9          2HG1      VAL   9  -5.481   2.627   1.121
   55   3HG1  VAL   9          3HG1      VAL   9  -3.890   2.835   1.852
   56   1HG2  VAL   9          1HG2      VAL   9  -4.342   1.221  -0.725
   57   2HG2  VAL   9          2HG2      VAL   9  -2.974   1.929  -1.584
   58   3HG2  VAL   9          3HG2      VAL   9  -2.818   1.495   0.120
   59    H    LEU  10           H        LEU  10  -3.846   6.057  -1.491
   60    HA   LEU  10           HA       LEU  10  -2.887   5.591  -4.229
   61   1HB   LEU  10          2HB       LEU  10  -4.175   7.467  -4.416
   62    HG   LEU  10           HG       LEU  10  -1.521   8.541  -3.563
   63   1HD1  LEU  10          1HD1      LEU  10  -1.609   7.397  -5.688
   64   2HD1  LEU  10          2HD1      LEU  10  -2.963   8.405  -6.198
   65   3HD1  LEU  10          3HD1      LEU  10  -1.377   9.129  -5.937
   66   1HD2  LEU  10          1HD2      LEU  10  -2.260  10.748  -4.347
   67   2HD2  LEU  10          2HD2      LEU  10  -3.908  10.132  -4.480
   68   3HD2  LEU  10          3HD2      LEU  10  -3.122  10.220  -2.902
   69    H    ALA  11           H        ALA  11  -0.762   5.299  -4.477
   70    HA   ALA  11           HA       ALA  11   1.049   5.515  -2.287
   71   1HB   ALA  11          1HB       ALA  11   1.284   3.837  -4.085
   72   2HB   ALA  11          2HB       ALA  11   1.660   5.137  -5.216
   73   3HB   ALA  11          3HB       ALA  11   2.743   4.808  -3.865
   74    H    LEU  12           H        LEU  12   1.949   7.346  -1.568
   75    HA   LEU  12           HA       LEU  12   1.799   9.765  -3.167
   76   1HB   LEU  12          2HB       LEU  12   2.977   9.356  -0.415
   77    HG   LEU  12           HG       LEU  12   0.552   8.835  -0.406
   78   1HD1  LEU  12          1HD1      LEU  12   1.566   9.837   1.551
   79   2HD1  LEU  12          2HD1      LEU  12   1.304  11.450   0.888
   80   3HD1  LEU  12          3HD1      LEU  12  -0.076  10.445   1.332
   81   1HD2  LEU  12          1HD2      LEU  12   0.250  11.649  -1.453
   82   2HD2  LEU  12          2HD2      LEU  12  -0.116  10.167  -2.338
   83   3HD2  LEU  12          3HD2      LEU  12  -1.064  10.600  -0.916
   84    H    TYR  13           H        TYR  13   4.243   7.609  -1.897
   85    HA   TYR  13           HA       TYR  13   6.296   9.141  -3.343
   86   1HB   TYR  13          2HB       TYR  13   6.879   7.586  -0.829
   87    HD1  TYR  13           1HD      TYR  13   6.204   8.216   1.256
   88    HD2  TYR  13           2HD      TYR  13   6.067  11.111  -1.846
   89    HE1  TYR  13           1HE      TYR  13   5.235   9.838   2.823
   90    HE2  TYR  13           2HE      TYR  13   5.093  12.742  -0.291
   91    HH   TYR  13           HH       TYR  13   4.981  12.200   3.101
   92    H    ASP  14           H        ASP  14   8.047   7.830  -4.191
   93    HA   ASP  14           HA       ASP  14   7.201   5.215  -4.994
   94   1HB   ASP  14          2HB       ASP  14   9.389   5.126  -6.160
   95    H    TYR  15           H        TYR  15   7.746   3.312  -4.144
   96    HA   TYR  15           HA       TYR  15   9.620   3.346  -1.877
   97   1HB   TYR  15          2HB       TYR  15   7.230   3.425  -1.127
   98    HD1  TYR  15           1HD      TYR  15   9.294   3.425   0.558
   99    HD2  TYR  15           2HD      TYR  15   7.138  -0.037  -0.641
  100    HE1  TYR  15           1HE      TYR  15  10.029   2.271   2.591
  101    HE2  TYR  15           2HE      TYR  15   7.879  -1.200   1.387
  102    HH   TYR  15           HH       TYR  15   9.711  -1.095   3.015
  103    H    GLN  16           H        GLN  16  11.186   1.945  -2.162
  104    HA   GLN  16           HA       GLN  16  10.655  -0.491  -3.712
  105   1HB   GLN  16          2HB       GLN  16  12.557   0.815  -4.500
  106   1HG   GLN  16          2HG       GLN  16  14.312  -0.783  -4.507
  107   1HE2  GLN  16          1HE2      GLN  16  11.944  -2.934  -3.165
  108   2HE2  GLN  16          2HE2      GLN  16  11.320  -3.524  -4.675
  109    H    GLU  17           H        GLU  17  10.026  -2.130  -2.520
  110    HA   GLU  17           HA       GLU  17  10.232  -2.438   0.220
  111   1HB   GLU  17          2HB       GLU  17   9.651  -4.767  -0.123
  112   1HG   GLU  17          2HG       GLU  17  10.488  -4.338  -2.975
  113    H    LYS  18           H        LYS  18  11.800  -3.063   1.601
  114    HA   LYS  18           HA       LYS  18  14.337  -3.959   0.446
  115   1HB   LYS  18          2HB       LYS  18  15.310  -3.471   2.633
  116   1HG   LYS  18          2HG       LYS  18  12.593  -2.496   3.439
  117   1HD   LYS  18          2HD       LYS  18  15.193  -2.725   4.948
  118   1HE   LYS  18          2HE       LYS  18  12.514  -1.657   5.822
  119   1HZ   LYS  18          1HZ       LYS  18  15.106  -1.904   7.243
  120   2HZ   LYS  18          2HZ       LYS  18  13.630  -1.569   8.004
  121   3HZ   LYS  18          3HZ       LYS  18  14.276  -0.469   6.882
  122    H    SER  19           H        SER  19  11.585  -5.296   1.567
  123    HA   SER  19           HA       SER  19  12.899  -7.861   1.894
  124   1HB   SER  19          2HB       SER  19  11.726  -8.423   3.949
  125    HG   SER  19           HG       SER  19  10.767  -5.761   4.120
  126    HA   PRO  20           HA       PRO  20   9.541  -9.061  -0.712
  127   1HB   PRO  20          2HB       PRO  20   9.190 -11.663   0.108
  128   1HG   PRO  20          2HG       PRO  20  10.630 -11.694   1.909
  129   1HD   PRO  20          2HD       PRO  20  12.126  -9.984   2.310
  130    H    ALA  21           H        ALA  21   9.222  -8.958   2.669
  131    HA   ALA  21           HA       ALA  21   6.415  -9.663   2.726
  132   1HB   ALA  21          1HB       ALA  21   7.823 -10.109   4.686
  133   2HB   ALA  21          2HB       ALA  21   8.130  -8.381   4.855
  134   3HB   ALA  21          3HB       ALA  21   6.498  -9.012   5.075
  135    H    GLU  22           H        GLU  22   8.284  -7.013   1.888
  136    HA   GLU  22           HA       GLU  22   6.190  -5.047   2.421
  137   1HB   GLU  22          2HB       GLU  22   9.031  -4.852   1.427
  138   1HG   GLU  22          2HG       GLU  22   7.857  -3.319   3.693
  139    H    VAL  23           H        VAL  23   6.328  -3.360   0.334
  140    HA   VAL  23           HA       VAL  23   5.999  -4.973  -2.079
  141    HB   VAL  23           HB       VAL  23   3.945  -3.077  -0.947
  142   1HG1  VAL  23          1HG1      VAL  23   2.770  -3.040  -3.012
  143   2HG1  VAL  23          2HG1      VAL  23   4.404  -2.439  -3.280
  144   3HG1  VAL  23          3HG1      VAL  23   3.969  -4.075  -3.780
  145   1HG2  VAL  23          1HG2      VAL  23   2.402  -4.863  -1.285
  146   2HG2  VAL  23          2HG2      VAL  23   3.612  -5.820  -2.135
  147   3HG2  VAL  23          3HG2      VAL  23   3.795  -5.494  -0.411
  148    H    THR  24           H        THR  24   6.810  -4.122  -3.870
  149    HA   THR  24           HA       THR  24   8.026  -1.503  -3.855
  150    HB   THR  24           HB       THR  24   7.719  -3.451  -6.155
  151    HG1  THR  24           1HG      THR  24   8.885  -4.289  -4.283
  152   1HG2  THR  24          1HG2      THR  24   8.272  -1.165  -6.849
  153   2HG2  THR  24          2HG2      THR  24   9.630  -2.258  -7.116
  154   3HG2  THR  24          3HG2      THR  24   9.641  -1.158  -5.738
  155    H    MET  25           H        MET  25   6.987   0.310  -4.414
  156    HA   MET  25           HA       MET  25   4.808   0.177  -6.363
  157   1HB   MET  25          2HB       MET  25   3.285   1.436  -4.995
  158   1HG   MET  25          2HG       MET  25   5.414   1.451  -2.871
  159   1HE   MET  25          1HE       MET  25   4.361   4.184  -1.592
  160   2HE   MET  25          2HE       MET  25   3.434   3.569  -0.225
  161   3HE   MET  25          3HE       MET  25   4.988   2.845  -0.634
  162    H    LYS  26           H        LYS  26   4.538   2.039  -7.568
  163    HA   LYS  26           HA       LYS  26   6.481   4.187  -7.056
  164   1HB   LYS  26          2HB       LYS  26   5.122   3.328  -9.620
  165   1HG   LYS  26          2HG       LYS  26   7.107   1.993  -8.992
  166   1HD   LYS  26          2HD       LYS  26   8.477   4.671  -9.151
  167   1HE   LYS  26          2HE       LYS  26   9.726   3.007 -10.448
  168   1HZ   LYS  26          1HZ       LYS  26   9.784   1.448  -7.918
  169   2HZ   LYS  26          2HZ       LYS  26  10.694   1.102  -9.308
  170   3HZ   LYS  26          3HZ       LYS  26   9.005   0.983  -9.355
  171    H    LYS  27           H        LYS  27   5.777   6.285  -6.874
  172    HA   LYS  27           HA       LYS  27   3.240   6.640  -5.781
  173   1HB   LYS  27          2HB       LYS  27   3.820   8.827  -5.384
  174   1HG   LYS  27          2HG       LYS  27   4.047   9.330  -7.922
  175   1HD   LYS  27          2HD       LYS  27   6.143   8.063  -8.229
  176   1HE   LYS  27          2HE       LYS  27   7.270  10.183  -6.409
  177   1HZ   LYS  27          1HZ       LYS  27   9.373   8.909  -6.782
  178   2HZ   LYS  27          2HZ       LYS  27   8.858   9.844  -8.098
  179   3HZ   LYS  27          3HZ       LYS  27   8.619   8.167  -8.110
  180    H    GLY  28           H        GLY  28   1.422   7.745  -6.460
  181   1HA   GLY  28          1HA       GLY  28   0.045   8.762  -8.107
  182   2HA   GLY  28          2HA       GLY  28   1.158   8.199  -9.346
  183    H    ASP  29           H        ASP  29   1.222   5.502  -7.993
  184    HA   ASP  29           HA       ASP  29  -0.934   4.390  -9.524
  185   1HB   ASP  29          2HB       ASP  29   1.259   3.209  -7.847
  186    H    ILE  30           H        ILE  30  -2.689   3.251  -8.833
  187    HA   ILE  30           HA       ILE  30  -3.632   3.865  -6.133
  188    HB   ILE  30           HB       ILE  30  -5.170   2.629  -8.422
  189   1HG1  ILE  30          2HG1      ILE  30  -4.391   4.798  -9.150
  190   1HG2  ILE  30          1HG2      ILE  30  -6.152   2.261  -6.223
  191   2HG2  ILE  30          2HG2      ILE  30  -6.112   3.994  -5.905
  192   3HG2  ILE  30          3HG2      ILE  30  -7.145   3.357  -7.185
  193   1HD1  ILE  30          1HD1      ILE  30  -3.855   5.812  -6.991
  194   2HD1  ILE  30          2HD1      ILE  30  -4.870   6.857  -7.986
  195   3HD1  ILE  30          3HD1      ILE  30  -5.578   5.958  -6.645
  196    H    LEU  31           H        LEU  31  -3.657   2.312  -4.587
  197    HA   LEU  31           HA       LEU  31  -3.211  -0.453  -5.503
  198   1HB   LEU  31          2HB       LEU  31  -2.568   0.238  -2.703
  199    HG   LEU  31           HG       LEU  31  -1.367   2.105  -3.626
  200   1HD1  LEU  31          1HD1      LEU  31  -0.258   0.743  -1.941
  201   2HD1  LEU  31          2HD1      LEU  31   0.440  -0.263  -3.214
  202   3HD1  LEU  31          3HD1      LEU  31   0.910   1.434  -3.072
  203   1HD2  LEU  31          1HD2      LEU  31   0.286   1.857  -5.402
  204   2HD2  LEU  31          2HD2      LEU  31  -0.171   0.165  -5.602
  205   3HD2  LEU  31          3HD2      LEU  31  -1.327   1.440  -5.986
  206    H    THR  32           H        THR  32  -4.119  -2.150  -4.207
  207    HA   THR  32           HA       THR  32  -6.717  -1.480  -3.097
  208    HB   THR  32           HB       THR  32  -5.328  -4.108  -3.645
  209    HG1  THR  32           1HG      THR  32  -6.409  -3.927  -5.445
  210   1HG2  THR  32          1HG2      THR  32  -8.025  -3.675  -2.365
  211   2HG2  THR  32          2HG2      THR  32  -6.611  -4.400  -1.599
  212   3HG2  THR  32          3HG2      THR  32  -7.408  -5.223  -2.942
  213    H    LEU  33           H        LEU  33  -7.123  -1.254  -0.960
  214    HA   LEU  33           HA       LEU  33  -4.955  -1.609   0.904
  215   1HB   LEU  33          2HB       LEU  33  -7.201   0.076   0.784
  216    HG   LEU  33           HG       LEU  33  -5.242   1.010   1.651
  217   1HD1  LEU  33          1HD1      LEU  33  -7.165   0.593   3.928
  218   2HD1  LEU  33          2HD1      LEU  33  -5.858   1.778   3.914
  219   3HD1  LEU  33          3HD1      LEU  33  -7.175   1.904   2.746
  220   1HD2  LEU  33          1HD2      LEU  33  -4.125  -1.022   2.359
  221   2HD2  LEU  33          2HD2      LEU  33  -4.089   0.177   3.651
  222   3HD2  LEU  33          3HD2      LEU  33  -5.223  -1.174   3.732
  223    H    LEU  34           H        LEU  34  -4.709  -3.195   2.299
  224    HA   LEU  34           HA       LEU  34  -6.807  -5.254   2.490
  225   1HB   LEU  34          2HB       LEU  34  -3.804  -5.486   2.686
  226    HG   LEU  34           HG       LEU  34  -4.551  -5.272   0.351
  227   1HD1  LEU  34          1HD1      LEU  34  -3.713  -8.074   1.057
  228   2HD1  LEU  34          2HD1      LEU  34  -3.498  -7.270  -0.498
  229   3HD1  LEU  34          3HD1      LEU  34  -2.632  -6.685   0.923
  230   1HD2  LEU  34          1HD2      LEU  34  -6.828  -6.102   0.574
  231   2HD2  LEU  34          2HD2      LEU  34  -5.951  -7.011  -0.654
  232   3HD2  LEU  34          3HD2      LEU  34  -6.218  -7.715   0.940
  233    H    ASN  35           H        ASN  35  -4.541  -3.246   4.211
  234    HA   ASN  35           HA       ASN  35  -5.950  -3.715   6.695
  235   1HB   ASN  35          2HB       ASN  35  -4.475  -5.354   7.272
  236   1HD2  ASN  35          1HD2      ASN  35  -1.881  -3.046   6.858
  237   2HD2  ASN  35          2HD2      ASN  35  -1.632  -2.757   8.544
  238    H    SER  36           H        SER  36  -6.081  -1.881   7.831
  239    HA   SER  36           HA       SER  36  -3.988   0.141   7.504
  240   1HB   SER  36          2HB       SER  36  -5.898   1.864   7.511
  241    HG   SER  36           HG       SER  36  -7.789   0.958   7.712
  242    H    THR  37           H        THR  37  -5.141  -1.835   9.621
  243    HA   THR  37           HA       THR  37  -5.972   0.036  11.689
  244    HB   THR  37           HB       THR  37  -7.223  -2.086  11.382
  245    HG1  THR  37           1HG      THR  37  -5.905  -1.560  13.848
  246   1HG2  THR  37          1HG2      THR  37  -5.349  -3.560  10.800
  247   2HG2  THR  37          2HG2      THR  37  -6.236  -4.188  12.192
  248   3HG2  THR  37          3HG2      THR  37  -4.690  -3.372  12.423
  249    H    ASN  38           H        ASN  38  -3.105  -0.880  10.532
  250    HA   ASN  38           HA       ASN  38  -1.789  -0.862  13.162
  251   1HB   ASN  38          2HB       ASN  38  -1.240  -2.801  11.716
  252   1HD2  ASN  38          1HD2      ASN  38   1.279  -2.906  10.597
  253   2HD2  ASN  38          2HD2      ASN  38   2.446  -2.522  11.820
  254    H    LYS  39           H        LYS  39  -0.609   0.901  13.720
  255    HA   LYS  39           HA       LYS  39  -0.945   3.251  12.153
  256   1HB   LYS  39          2HB       LYS  39   0.012   4.441  13.942
  257   1HG   LYS  39          2HG       LYS  39   1.365   1.935  14.922
  258   1HD   LYS  39          2HD       LYS  39   1.300   4.772  15.898
  259   1HE   LYS  39          2HE       LYS  39   3.621   4.156  15.854
  260   1HZ   LYS  39          1HZ       LYS  39   3.521   1.790  15.676
  261   2HZ   LYS  39          2HZ       LYS  39   2.773   1.646  17.193
  262   3HZ   LYS  39          3HZ       LYS  39   4.381   2.176  17.089
  263    H    ASP  40           H        ASP  40   1.407   0.818  12.026
  264    HA   ASP  40           HA       ASP  40   3.428   2.688  10.984
  265   1HB   ASP  40          2HB       ASP  40   3.777  -0.097  12.111
  266    H    TRP  41           H        TRP  41   2.399  -0.678  10.473
  267    HA   TRP  41           HA       TRP  41   3.195  -0.365   7.665
  268   1HB   TRP  41          2HB       TRP  41   3.132  -2.782   9.463
  269    HD1  TRP  41           HD       TRP  41   5.194  -2.116  10.905
  270    HE1  TRP  41           1HE      TRP  41   7.683  -1.739  10.377
  271    HE3  TRP  41           3HE      TRP  41   4.930  -1.950   5.803
  272    HZ2  TRP  41           2HZ      TRP  41   9.318  -1.410   8.102
  273    HZ3  TRP  41           3HZ      TRP  41   7.005  -1.602   4.528
  274    HH2  TRP  41           HH       TRP  41   9.156  -1.337   5.657
  275    H    TRP  42           H        TRP  42   1.682  -0.400   6.194
  276    HA   TRP  42           HA       TRP  42  -0.929  -1.594   6.833
  277   1HB   TRP  42          2HB       TRP  42  -0.078   0.494   4.838
  278    HD1  TRP  42           HD       TRP  42  -0.964   0.194   8.266
  279    HE1  TRP  42           1HE      TRP  42  -2.267   2.236   9.129
  280    HE3  TRP  42           3HE      TRP  42  -2.328   2.142   3.810
  281    HZ2  TRP  42           2HZ      TRP  42  -3.697   4.413   8.029
  282    HZ3  TRP  42           3HZ      TRP  42  -3.665   4.224   3.763
  283    HH2  TRP  42           HH       TRP  42  -4.334   5.332   5.840
  284    H    LYS  43           H        LYS  43  -1.980  -2.790   5.068
  285    HA   LYS  43           HA       LYS  43   0.029  -4.302   3.529
  286   1HB   LYS  43          2HB       LYS  43  -1.431  -5.474   5.396
  287   1HG   LYS  43          2HG       LYS  43  -1.262  -6.706   2.652
  288   1HD   LYS  43          2HD       LYS  43  -1.285  -7.991   5.388
  289   1HE   LYS  43          2HE       LYS  43  -1.688 -10.064   4.060
  290   1HZ   LYS  43          1HZ       LYS  43   0.525  -9.667   4.871
  291   2HZ   LYS  43          2HZ       LYS  43   0.889  -8.692   3.535
  292   3HZ   LYS  43          3HZ       LYS  43   0.603 -10.347   3.321
  293    H    VAL  44           H        VAL  44  -0.166  -4.204   1.387
  294    HA   VAL  44           HA       VAL  44  -2.723  -3.302   0.260
  295    HB   VAL  44           HB       VAL  44  -1.474  -1.807  -1.307
  296   1HG1  VAL  44          1HG1      VAL  44  -2.640  -0.867   0.604
  297   2HG1  VAL  44          2HG1      VAL  44  -1.235  -1.156   1.630
  298   3HG1  VAL  44          3HG1      VAL  44  -1.139   0.014   0.314
  299   1HG2  VAL  44          1HG2      VAL  44   0.731  -2.833  -1.082
  300   2HG2  VAL  44          2HG2      VAL  44   0.795  -1.110  -0.708
  301   3HG2  VAL  44          3HG2      VAL  44   0.818  -2.297   0.596
  302    H    GLU  45           H        GLU  45  -2.985  -3.764  -1.980
  303    HA   GLU  45           HA       GLU  45  -1.194  -5.881  -2.966
  304   1HB   GLU  45          2HB       GLU  45  -3.519  -6.627  -2.636
  305   1HG   GLU  45          2HG       GLU  45  -2.612  -6.416  -5.497
  306    H    VAL  46           H        VAL  46   0.007  -5.405  -4.639
  307    HA   VAL  46           HA       VAL  46  -0.817  -3.327  -6.539
  308    HB   VAL  46           HB       VAL  46   2.051  -3.373  -5.770
  309   1HG1  VAL  46          1HG1      VAL  46   0.122  -1.311  -6.748
  310   2HG1  VAL  46          2HG1      VAL  46   1.684  -0.856  -6.065
  311   3HG1  VAL  46          3HG1      VAL  46   1.615  -1.884  -7.496
  312   1HG2  VAL  46          1HG2      VAL  46   1.050  -3.337  -3.584
  313   2HG2  VAL  46          2HG2      VAL  46   1.722  -1.751  -3.956
  314   3HG2  VAL  46          3HG2      VAL  46  -0.016  -2.021  -4.060
  315    H    ASN  47           H        ASN  47  -0.185  -3.798  -8.618
  316    HA   ASN  47           HA       ASN  47   0.300  -5.064 -10.378
  317   1HB   ASN  47          2HB       ASN  47   2.564  -6.032 -10.581
  318   1HD2  ASN  47          1HD2      ASN  47   3.545  -3.906  -8.085
  319   2HD2  ASN  47          2HD2      ASN  47   4.335  -5.095  -7.102
  320    H    ASP  48           H        ASP  48   1.749  -7.382  -8.083
  321    HA   ASP  48           HA       ASP  48  -0.616  -9.019  -8.191
  322   1HB   ASP  48          2HB       ASP  48   0.668  -9.569 -10.299
  323    H    ARG  49           H        ARG  49   1.543  -7.652  -6.408
  324    HA   ARG  49           HA       ARG  49   1.962  -9.974  -4.648
  325   1HB   ARG  49          2HB       ARG  49   4.100  -9.292  -5.593
  326   1HG   ARG  49          2HG       ARG  49   4.165  -8.115  -2.847
  327   1HD   ARG  49          2HD       ARG  49   6.231  -9.454  -2.683
  328    HE   ARG  49           HE       ARG  49   6.694  -7.240  -3.495
  329   1HH1  ARG  49          2HH1      ARG  49   6.403  -9.693  -5.978
  330   2HH1  ARG  49          1HH1      ARG  49   7.316  -8.794  -7.149
  331   1HH2  ARG  49          2HH2      ARG  49   7.936  -6.086  -5.001
  332   2HH2  ARG  49          1HH2      ARG  49   8.185  -6.732  -6.605
  333    H    GLN  50           H        GLN  50   0.833  -9.819  -2.866
  334    HA   GLN  50           HA       GLN  50   0.114  -7.175  -1.827
  335   1HB   GLN  50          2HB       GLN  50  -0.648  -9.847  -0.633
  336   1HG   GLN  50          2HG       GLN  50  -2.253  -8.362  -2.709
  337   1HE2  GLN  50          1HE2      GLN  50  -4.266  -9.258  -3.160
  338   2HE2  GLN  50          2HE2      GLN  50  -5.061 -10.315  -2.036
  339    H    GLY  51           H        GLY  51   1.031  -6.311  -0.073
  340   1HA   GLY  51          1HA       GLY  51   2.467  -7.861   1.864
  341   2HA   GLY  51          2HA       GLY  51   3.541  -7.001   0.767
  342    H    PHE  52           H        PHE  52   4.253  -5.906   2.732
  343    HA   PHE  52           HA       PHE  52   2.306  -3.982   3.772
  344   1HB   PHE  52          2HB       PHE  52   4.809  -5.169   4.883
  345    HD1  PHE  52           1HD      PHE  52   2.033  -3.515   6.655
  346    HD2  PHE  52           2HD      PHE  52   3.720  -7.203   5.378
  347    HE1  PHE  52           1HE      PHE  52   0.475  -4.738   8.116
  348    HE2  PHE  52           2HE      PHE  52   2.165  -8.427   6.827
  349    HZ   PHE  52           HZ       PHE  52   0.534  -7.093   8.276
  350    H    VAL  53           H        VAL  53   2.644  -1.879   3.886
  351    HA   VAL  53           HA       VAL  53   5.131  -0.707   2.851
  352    HB   VAL  53           HB       VAL  53   3.836   1.074   1.707
  353   1HG1  VAL  53          1HG1      VAL  53   3.148  -0.237  -0.256
  354   2HG1  VAL  53          2HG1      VAL  53   4.711  -0.755   0.378
  355   3HG1  VAL  53          3HG1      VAL  53   3.266  -1.713   0.703
  356   1HG2  VAL  53          1HG2      VAL  53   1.752   0.919   2.937
  357   2HG2  VAL  53          2HG2      VAL  53   1.451   0.720   1.211
  358   3HG2  VAL  53          3HG2      VAL  53   1.453  -0.688   2.274
  359    HA   PRO  54           HA       PRO  54   4.573   1.894   6.420
  360   1HB   PRO  54          2HB       PRO  54   5.521   4.286   5.177
  361   1HG   PRO  54          2HG       PRO  54   7.019   3.538   3.634
  362   1HD   PRO  54          2HD       PRO  54   5.400   2.310   2.582
  363    H    ALA  55           H        ALA  55   2.822   2.845   7.207
  364    HA   ALA  55           HA       ALA  55   0.618   3.560   5.661
  365   1HB   ALA  55          1HB       ALA  55   0.519   2.961   8.042
  366   2HB   ALA  55          2HB       ALA  55   1.278   4.499   8.453
  367   3HB   ALA  55          3HB       ALA  55  -0.320   4.475   7.707
  368    H    ALA  56           H        ALA  56   3.302   5.494   6.802
  369    HA   ALA  56           HA       ALA  56   2.120   8.029   6.250
  370   1HB   ALA  56          1HB       ALA  56   5.006   7.274   6.654
  371   2HB   ALA  56          2HB       ALA  56   4.356   8.915   6.679
  372   3HB   ALA  56          3HB       ALA  56   3.871   7.754   7.915
  373    H    TYR  57           H        TYR  57   3.135   5.672   4.146
  374    HA   TYR  57           HA       TYR  57   4.237   7.584   2.205
  375   1HB   TYR  57          2HB       TYR  57   4.535   4.619   2.505
  376    HD1  TYR  57           1HD      TYR  57   7.044   5.038   0.573
  377    HD2  TYR  57           2HD      TYR  57   5.711   6.817   4.199
  378    HE1  TYR  57           1HE      TYR  57   9.363   5.631   1.132
  379    HE2  TYR  57           2HE      TYR  57   8.028   7.408   4.767
  380    HH   TYR  57           HH       TYR  57  10.588   7.191   2.498
  381    H    VAL  58           H        VAL  58   1.413   5.912   2.913
  382    HA   VAL  58           HA       VAL  58   0.451   6.340   0.170
  383    HB   VAL  58           HB       VAL  58  -1.165   4.506   0.543
  384   1HG1  VAL  58          1HG1      VAL  58   0.919   4.030  -0.603
  385   2HG1  VAL  58          2HG1      VAL  58   1.742   3.794   0.944
  386   3HG1  VAL  58          3HG1      VAL  58   0.490   2.662   0.425
  387   1HG2  VAL  58          1HG2      VAL  58  -0.845   2.984   2.440
  388   2HG2  VAL  58          2HG2      VAL  58   0.388   4.063   3.096
  389   3HG2  VAL  58          3HG2      VAL  58  -1.288   4.604   2.982
  390    H    LYS  59           H        LYS  59  -1.774   6.969  -0.044
  391    HA   LYS  59           HA       LYS  59  -2.801   8.368   2.344
  392   1HB   LYS  59          2HB       LYS  59  -1.927   9.952   0.689
  393   1HG   LYS  59          2HG       LYS  59  -4.938   9.936   0.697
  394   1HD   LYS  59          2HD       LYS  59  -3.090  12.274   0.244
  395   1HE   LYS  59          2HE       LYS  59  -6.062  11.920  -0.150
  396   1HZ   LYS  59          1HZ       LYS  59  -6.042  14.269  -0.709
  397   2HZ   LYS  59          2HZ       LYS  59  -5.091  13.394  -1.809
  398   3HZ   LYS  59          3HZ       LYS  59  -4.349  14.310  -0.592
  399    H    LYS  60           H        LYS  60  -5.082   8.415   2.612
  400    HA   LYS  60           HA       LYS  60  -6.449   6.132   1.535
  401   1HB   LYS  60          2HB       LYS  60  -7.499   8.465   3.156
  402   1HG   LYS  60          2HG       LYS  60  -5.892   6.891   4.315
  403   1HD   LYS  60          2HD       LYS  60  -6.648   4.765   3.394
  404   1HE   LYS  60          2HE       LYS  60  -8.829   3.863   4.503
  405   1HZ   LYS  60          1HZ       LYS  60 -10.115   4.431   2.616
  406   2HZ   LYS  60          2HZ       LYS  60  -8.520   4.212   2.078
  407   3HZ   LYS  60          3HZ       LYS  60  -9.142   5.773   2.263
  408    H    LEU  61           H        LEU  61  -7.462   6.038  -0.358
  409    HA   LEU  61           HA       LEU  61  -8.351   8.510  -1.625
  410   1HB   LEU  61          2HB       LEU  61  -8.289   5.640  -2.545
  411    HG   LEU  61           HG       LEU  61  -6.098   6.961  -2.651
  412   1HD1  LEU  61          1HD1      LEU  61  -7.314   5.993  -5.239
  413   2HD1  LEU  61          2HD1      LEU  61  -5.595   6.138  -4.879
  414   3HD1  LEU  61          3HD1      LEU  61  -6.583   4.967  -4.006
  415   1HD2  LEU  61          1HD2      LEU  61  -6.928   9.133  -3.260
  416   2HD2  LEU  61          2HD2      LEU  61  -5.955   8.517  -4.592
  417   3HD2  LEU  61          3HD2      LEU  61  -7.716   8.482  -4.698
  418    H    ASP  62           H        ASP  62  -9.569   7.928   0.756
  419    HA   ASP  62           HA       ASP  62 -12.339   7.594  -0.041
  420   1HB   ASP  62          2HB       ASP  62 -11.570   5.313   0.622
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -16.165  -6.503  -1.814
    2   2H    MET   1          2H        MET   1 -14.656  -6.894  -2.486
    3   3H    MET   1          3H        MET   1 -15.468  -8.019  -1.517
    4    HA   MET   1           HA       MET   1 -17.225  -8.229  -3.100
    5   1HB   MET   1          2HB       MET   1 -17.030  -7.176  -5.320
    6   1HG   MET   1          2HG       MET   1 -14.841  -5.506  -4.109
    7   1HE   MET   1          1HE       MET   1 -17.228  -6.297  -7.155
    8   2HE   MET   1          2HE       MET   1 -16.617  -5.164  -8.360
    9   3HE   MET   1          3HE       MET   1 -15.609  -6.507  -7.822
   10    H    ASP   2           H        ASP   2 -13.716  -8.100  -3.591
   11    HA   ASP   2           HA       ASP   2 -13.733 -10.872  -4.397
   12   1HB   ASP   2          2HB       ASP   2 -14.292  -9.570  -6.538
   13    H    GLU   3           H        GLU   3 -12.558  -8.781  -2.545
   14    HA   GLU   3           HA       GLU   3  -9.778  -9.649  -2.762
   15   1HB   GLU   3          2HB       GLU   3  -8.916  -7.401  -2.417
   16   1HG   GLU   3          2HG       GLU   3 -10.869  -6.413  -1.196
   17    H    THR   4           H        THR   4  -8.589  -8.628  -0.670
   18    HA   THR   4           HA       THR   4 -10.191  -9.602   1.588
   19    HB   THR   4           HB       THR   4  -7.326  -8.829   1.967
   20    HG1  THR   4           1HG      THR   4  -8.217 -10.630   0.065
   21   1HG2  THR   4          1HG2      THR   4  -7.335 -10.855   3.344
   22   2HG2  THR   4          2HG2      THR   4  -8.986 -11.201   2.832
   23   3HG2  THR   4          3HG2      THR   4  -8.647  -9.768   3.803
   24    H    GLY   5           H        GLY   5 -10.994  -7.165   0.631
   25   1HA   GLY   5          1HA       GLY   5 -11.593  -5.206   1.956
   26   2HA   GLY   5          2HA       GLY   5  -9.962  -5.238   2.621
   27    H    LYS   6           H        LYS   6 -11.494  -3.157   1.046
   28    HA   LYS   6           HA       LYS   6  -9.613  -2.963  -1.199
   29   1HB   LYS   6          2HB       LYS   6 -11.830  -3.432  -2.053
   30   1HG   LYS   6          2HG       LYS   6 -12.122  -1.706  -3.608
   31   1HD   LYS   6          2HD       LYS   6  -9.851  -1.121  -4.350
   32   1HE   LYS   6          2HE       LYS   6  -9.046  -3.397  -4.682
   33   1HZ   LYS   6          1HZ       LYS   6 -10.735  -4.046  -5.984
   34   2HZ   LYS   6          2HZ       LYS   6 -11.365  -2.511  -5.619
   35   3HZ   LYS   6          3HZ       LYS   6 -11.905  -3.884  -4.771
   36    H    GLU   7           H        GLU   7 -11.862  -0.507  -0.278
   37    HA   GLU   7           HA       GLU   7 -11.662   1.562   0.623
   38   1HB   GLU   7          2HB       GLU   7  -9.264   0.257   1.810
   39   1HG   GLU   7          2HG       GLU   7 -11.538   1.838   2.955
   40    H    LEU   8           H        LEU   8  -8.809   0.449  -1.123
   41    HA   LEU   8           HA       LEU   8  -7.504   1.362  -2.711
   42   1HB   LEU   8          2HB       LEU   8  -9.680   3.446  -2.834
   43    HG   LEU   8           HG       LEU   8 -10.320   1.184  -3.672
   44   1HD1  LEU   8          1HD1      LEU   8 -11.369   3.204  -4.544
   45   2HD1  LEU   8          2HD1      LEU   8 -10.090   3.360  -5.747
   46   3HD1  LEU   8          3HD1      LEU   8 -11.197   1.986  -5.809
   47   1HD2  LEU   8          1HD2      LEU   8  -8.085   1.715  -5.628
   48   2HD2  LEU   8          2HD2      LEU   8  -8.178   0.396  -4.460
   49   3HD2  LEU   8          3HD2      LEU   8  -9.306   0.457  -5.816
   50    H    VAL   9           H        VAL   9  -5.605   2.230  -2.352
   51    HA   VAL   9           HA       VAL   9  -5.496   4.803  -0.942
   52    HB   VAL   9           HB       VAL   9  -3.174   4.053  -0.128
   53   1HG1  VAL   9          1HG1      VAL   9  -5.016   4.463   1.384
   54   2HG1  VAL   9          2HG1      VAL   9  -5.671   2.857   1.060
   55   3HG1  VAL   9          3HG1      VAL   9  -4.129   3.028   1.896
   56   1HG2  VAL   9          1HG2      VAL   9  -4.418   1.353  -0.639
   57   2HG2  VAL   9          2HG2      VAL   9  -2.990   2.012  -1.434
   58   3HG2  VAL   9          3HG2      VAL   9  -2.948   1.641   0.290
   59    H    LEU  10           H        LEU  10  -3.872   6.199  -1.562
   60    HA   LEU  10           HA       LEU  10  -2.893   5.677  -4.278
   61   1HB   LEU  10          2HB       LEU  10  -4.186   7.554  -4.466
   62    HG   LEU  10           HG       LEU  10  -1.494   8.621  -3.737
   63   1HD1  LEU  10          1HD1      LEU  10  -1.678   7.366  -5.805
   64   2HD1  LEU  10          2HD1      LEU  10  -3.003   8.404  -6.328
   65   3HD1  LEU  10          3HD1      LEU  10  -1.384   9.072  -6.133
   66   1HD2  LEU  10          1HD2      LEU  10  -3.060  10.354  -3.124
   67   2HD2  LEU  10          2HD2      LEU  10  -2.234  10.799  -4.615
   68   3HD2  LEU  10          3HD2      LEU  10  -3.888  10.191  -4.670
   69    H    ALA  11           H        ALA  11  -0.780   5.350  -4.533
   70    HA   ALA  11           HA       ALA  11   1.056   5.620  -2.366
   71   1HB   ALA  11          1HB       ALA  11   2.746   4.891  -3.980
   72   2HB   ALA  11          2HB       ALA  11   1.310   3.868  -4.059
   73   3HB   ALA  11          3HB       ALA  11   1.586   5.096  -5.293
   74    H    LEU  12           H        LEU  12   1.878   7.480  -1.695
   75    HA   LEU  12           HA       LEU  12   1.816   9.838  -3.392
   76   1HB   LEU  12          2HB       LEU  12   2.971   9.566  -0.614
   77    HG   LEU  12           HG       LEU  12   0.567   8.897  -0.581
   78   1HD1  LEU  12          1HD1      LEU  12  -0.076  10.459   1.184
   79   2HD1  LEU  12          2HD1      LEU  12   1.604   9.948   1.347
   80   3HD1  LEU  12          3HD1      LEU  12   1.226  11.544   0.699
   81   1HD2  LEU  12          1HD2      LEU  12   0.124  11.702  -1.601
   82   2HD2  LEU  12          2HD2      LEU  12  -0.190  10.215  -2.496
   83   3HD2  LEU  12          3HD2      LEU  12  -1.129  10.590  -1.050
   84    H    TYR  13           H        TYR  13   4.134   7.607  -2.087
   85    HA   TYR  13           HA       TYR  13   6.280   9.053  -3.474
   86   1HB   TYR  13          2HB       TYR  13   6.770   7.466  -0.961
   87    HD1  TYR  13           1HD      TYR  13   6.292   8.200   1.222
   88    HD2  TYR  13           2HD      TYR  13   6.001  10.946  -2.006
   89    HE1  TYR  13           1HE      TYR  13   5.327   9.871   2.740
   90    HE2  TYR  13           2HE      TYR  13   5.052  12.630  -0.501
   91    HH   TYR  13           HH       TYR  13   5.087  12.300   2.891
   92    H    ASP  14           H        ASP  14   7.869   7.692  -4.453
   93    HA   ASP  14           HA       ASP  14   6.983   5.044  -5.089
   94   1HB   ASP  14          2HB       ASP  14   8.982   4.875  -6.433
   95    H    TYR  15           H        TYR  15   7.747   3.101  -4.301
   96    HA   TYR  15           HA       TYR  15   9.457   3.336  -1.917
   97   1HB   TYR  15          2HB       TYR  15   7.054   3.257  -1.287
   98    HD1  TYR  15           1HD      TYR  15   9.052   3.349   0.492
   99    HD2  TYR  15           2HD      TYR  15   7.069  -0.185  -0.788
  100    HE1  TYR  15           1HE      TYR  15   9.719   2.230   2.567
  101    HE2  TYR  15           2HE      TYR  15   7.740  -1.319   1.283
  102    HH   TYR  15           HH       TYR  15   9.447  -1.145   3.006
  103    H    GLN  16           H        GLN  16  11.055   1.930  -1.853
  104    HA   GLN  16           HA       GLN  16  10.885  -0.463  -3.534
  105   1HB   GLN  16          2HB       GLN  16  12.787   1.026  -4.016
  106   1HG   GLN  16          2HG       GLN  16  14.581  -0.517  -3.968
  107   1HE2  GLN  16          1HE2      GLN  16  12.148  -2.794  -3.009
  108   2HE2  GLN  16          2HE2      GLN  16  11.684  -3.301  -4.603
  109    H    GLU  17           H        GLU  17  10.223  -2.181  -2.453
  110    HA   GLU  17           HA       GLU  17  10.192  -2.578   0.281
  111   1HB   GLU  17          2HB       GLU  17   9.787  -4.915  -0.199
  112   1HG   GLU  17          2HG       GLU  17  10.964  -4.324  -2.889
  113    H    LYS  18           H        LYS  18  11.660  -3.092   1.766
  114    HA   LYS  18           HA       LYS  18  14.361  -3.778   0.867
  115   1HB   LYS  18          2HB       LYS  18  15.227  -2.795   2.749
  116   1HG   LYS  18          2HG       LYS  18  12.718  -3.474   4.233
  117   1HD   LYS  18          2HD       LYS  18  15.154  -2.140   5.364
  118   1HE   LYS  18          2HE       LYS  18  13.622  -3.407   6.863
  119   1HZ   LYS  18          1HZ       LYS  18  11.474  -2.461   7.352
  120   2HZ   LYS  18          2HZ       LYS  18  11.529  -2.899   5.714
  121   3HZ   LYS  18          3HZ       LYS  18  11.676  -1.268   6.166
  122    H    SER  19           H        SER  19  11.673  -5.336   1.684
  123    HA   SER  19           HA       SER  19  13.057  -7.773   2.357
  124   1HB   SER  19          2HB       SER  19  11.038  -6.535   4.253
  125    HG   SER  19           HG       SER  19  13.733  -6.508   4.180
  126    HA   PRO  20           HA       PRO  20   9.919  -9.421  -0.240
  127   1HB   PRO  20          2HB       PRO  20   9.394 -11.835   1.024
  128   1HG   PRO  20          2HG       PRO  20  10.760 -11.609   2.858
  129   1HD   PRO  20          2HD       PRO  20  12.255  -9.861   3.059
  130    H    ALA  21           H        ALA  21   9.229  -9.120   3.163
  131    HA   ALA  21           HA       ALA  21   6.417  -9.631   2.925
  132   1HB   ALA  21          1HB       ALA  21   7.963  -8.247   5.117
  133   2HB   ALA  21          2HB       ALA  21   6.268  -8.726   5.205
  134   3HB   ALA  21          3HB       ALA  21   7.527  -9.955   5.059
  135    H    GLU  22           H        GLU  22   8.407  -7.067   2.058
  136    HA   GLU  22           HA       GLU  22   6.310  -5.031   2.273
  137   1HB   GLU  22          2HB       GLU  22   9.248  -4.920   1.567
  138   1HG   GLU  22          2HG       GLU  22   7.828  -3.362   3.682
  139    H    VAL  23           H        VAL  23   6.147  -3.560   0.247
  140    HA   VAL  23           HA       VAL  23   6.504  -5.170  -2.190
  141    HB   VAL  23           HB       VAL  23   4.363  -5.074  -2.819
  142   1HG1  VAL  23          1HG1      VAL  23   2.662  -4.650  -1.120
  143   2HG1  VAL  23          2HG1      VAL  23   3.987  -5.647  -0.517
  144   3HG1  VAL  23          3HG1      VAL  23   3.895  -3.941  -0.078
  145   1HG2  VAL  23          1HG2      VAL  23   2.979  -3.028  -2.818
  146   2HG2  VAL  23          2HG2      VAL  23   4.281  -2.177  -1.987
  147   3HG2  VAL  23          3HG2      VAL  23   4.538  -2.808  -3.613
  148    H    THR  24           H        THR  24   7.300  -4.180  -3.919
  149    HA   THR  24           HA       THR  24   8.174  -1.438  -3.791
  150    HB   THR  24           HB       THR  24   8.147  -3.281  -6.196
  151    HG1  THR  24           1HG      THR  24   9.281  -4.145  -4.309
  152   1HG2  THR  24          1HG2      THR  24   8.557  -0.934  -6.733
  153   2HG2  THR  24          2HG2      THR  24  10.021  -1.892  -6.961
  154   3HG2  THR  24          3HG2      THR  24   9.846  -0.873  -5.532
  155    H    MET  25           H        MET  25   7.133   0.327  -4.593
  156    HA   MET  25           HA       MET  25   4.928  -0.017  -6.480
  157   1HB   MET  25          2HB       MET  25   3.342   1.228  -5.146
  158   1HG   MET  25          2HG       MET  25   5.484   1.376  -3.039
  159   1HE   MET  25          1HE       MET  25   4.989   2.749  -0.777
  160   2HE   MET  25          2HE       MET  25   4.289   4.054  -1.732
  161   3HE   MET  25          3HE       MET  25   3.397   3.383  -0.369
  162    H    LYS  26           H        LYS  26   4.436   1.872  -7.657
  163    HA   LYS  26           HA       LYS  26   6.351   4.068  -7.290
  164   1HB   LYS  26          2HB       LYS  26   4.719   3.238  -9.688
  165   1HG   LYS  26          2HG       LYS  26   6.868   2.035  -9.352
  166   1HD   LYS  26          2HD       LYS  26   8.031   4.795  -9.753
  167   1HE   LYS  26          2HE       LYS  26   9.267   2.046  -9.825
  168   1HZ   LYS  26          1HZ       LYS  26  11.404   3.117  -9.861
  169   2HZ   LYS  26          2HZ       LYS  26  10.602   3.502  -8.417
  170   3HZ   LYS  26          3HZ       LYS  26  10.693   4.648  -9.667
  171    H    LYS  27           H        LYS  27   5.685   6.065  -6.825
  172    HA   LYS  27           HA       LYS  27   3.143   6.622  -5.865
  173   1HB   LYS  27          2HB       LYS  27   3.829   8.813  -5.594
  174   1HG   LYS  27          2HG       LYS  27   4.178   9.231  -8.064
  175   1HD   LYS  27          2HD       LYS  27   7.036   8.566  -7.347
  176   1HE   LYS  27          2HE       LYS  27   5.877   9.315 -10.016
  177   1HZ   LYS  27          1HZ       LYS  27   8.664   9.145  -9.014
  178   2HZ   LYS  27          2HZ       LYS  27   8.221   9.742 -10.538
  179   3HZ   LYS  27          3HZ       LYS  27   7.932   8.118 -10.148
  180    H    GLY  28           H        GLY  28   1.356   7.619  -6.703
  181   1HA   GLY  28          1HA       GLY  28   0.081   8.605  -8.455
  182   2HA   GLY  28          2HA       GLY  28   1.282   8.044  -9.607
  183    H    ASP  29           H        ASP  29   1.124   5.379  -8.009
  184    HA   ASP  29           HA       ASP  29  -0.989   4.243  -9.632
  185   1HB   ASP  29          2HB       ASP  29   1.114   3.073  -7.829
  186    H    ILE  30           H        ILE  30  -2.746   3.047  -8.833
  187    HA   ILE  30           HA       ILE  30  -3.660   3.903  -6.165
  188    HB   ILE  30           HB       ILE  30  -5.309   2.717  -8.410
  189   1HG1  ILE  30          2HG1      ILE  30  -4.428   4.856  -9.149
  190   1HG2  ILE  30          1HG2      ILE  30  -6.143   4.142  -5.889
  191   2HG2  ILE  30          2HG2      ILE  30  -7.223   3.536  -7.146
  192   3HG2  ILE  30          3HG2      ILE  30  -6.259   2.409  -6.191
  193   1HD1  ILE  30          1HD1      ILE  30  -5.592   6.045  -6.645
  194   2HD1  ILE  30          2HD1      ILE  30  -3.877   5.895  -7.023
  195   3HD1  ILE  30          3HD1      ILE  30  -4.905   6.940  -8.001
  196    H    LEU  31           H        LEU  31  -3.546   2.390  -4.591
  197    HA   LEU  31           HA       LEU  31  -3.231  -0.405  -5.460
  198   1HB   LEU  31          2HB       LEU  31  -2.538   0.331  -2.685
  199    HG   LEU  31           HG       LEU  31  -1.346   2.180  -3.607
  200   1HD1  LEU  31          1HD1      LEU  31  -0.168   0.665  -2.036
  201   2HD1  LEU  31          2HD1      LEU  31   0.548  -0.147  -3.431
  202   3HD1  LEU  31          3HD1      LEU  31   0.914   1.549  -3.114
  203   1HD2  LEU  31          1HD2      LEU  31   0.127   2.057  -5.487
  204   2HD2  LEU  31          2HD2      LEU  31  -0.140   0.322  -5.642
  205   3HD2  LEU  31          3HD2      LEU  31  -1.450   1.445  -5.991
  206    H    THR  32           H        THR  32  -4.128  -2.071  -4.100
  207    HA   THR  32           HA       THR  32  -6.672  -1.335  -2.915
  208    HB   THR  32           HB       THR  32  -5.384  -4.067  -3.154
  209    HG1  THR  32           1HG      THR  32  -6.561  -4.292  -5.026
  210   1HG2  THR  32          1HG2      THR  32  -7.114  -3.944  -1.425
  211   2HG2  THR  32          2HG2      THR  32  -7.650  -4.915  -2.796
  212   3HG2  THR  32          3HG2      THR  32  -8.249  -3.262  -2.603
  213    H    LEU  33           H        LEU  33  -7.070  -1.246  -0.745
  214    HA   LEU  33           HA       LEU  33  -4.769  -1.525   1.003
  215   1HB   LEU  33          2HB       LEU  33  -6.771   0.358   0.859
  216    HG   LEU  33           HG       LEU  33  -4.838   1.088   1.900
  217   1HD1  LEU  33          1HD1      LEU  33  -6.818   2.029   2.915
  218   2HD1  LEU  33          2HD1      LEU  33  -6.863   0.712   4.088
  219   3HD1  LEU  33          3HD1      LEU  33  -5.525   1.858   4.103
  220   1HD2  LEU  33          1HD2      LEU  33  -3.872   0.079   3.907
  221   2HD2  LEU  33          2HD2      LEU  33  -5.119  -1.168   3.877
  222   3HD2  LEU  33          3HD2      LEU  33  -3.943  -1.065   2.567
  223    H    LEU  34           H        LEU  34  -4.482  -3.344   2.040
  224    HA   LEU  34           HA       LEU  34  -6.701  -5.214   2.361
  225   1HB   LEU  34          2HB       LEU  34  -3.710  -5.503   2.521
  226    HG   LEU  34           HG       LEU  34  -4.614  -5.361   0.209
  227   1HD1  LEU  34          1HD1      LEU  34  -3.526  -7.349  -0.627
  228   2HD1  LEU  34          2HD1      LEU  34  -2.610  -6.687   0.729
  229   3HD1  LEU  34          3HD1      LEU  34  -3.632  -8.106   0.962
  230   1HD2  LEU  34          1HD2      LEU  34  -5.967  -7.253  -0.626
  231   2HD2  LEU  34          2HD2      LEU  34  -6.172  -7.807   1.035
  232   3HD2  LEU  34          3HD2      LEU  34  -6.829  -6.247   0.537
  233    H    ASN  35           H        ASN  35  -4.506  -3.258   4.205
  234    HA   ASN  35           HA       ASN  35  -5.964  -3.855   6.632
  235   1HB   ASN  35          2HB       ASN  35  -4.462  -5.476   7.188
  236   1HD2  ASN  35          1HD2      ASN  35  -1.897  -3.099   6.940
  237   2HD2  ASN  35          2HD2      ASN  35  -1.716  -2.866   8.640
  238    H    SER  36           H        SER  36  -6.218  -2.062   7.785
  239    HA   SER  36           HA       SER  36  -4.137   0.009   7.668
  240   1HB   SER  36          2HB       SER  36  -6.092   1.686   7.717
  241    HG   SER  36           HG       SER  36  -7.702   0.206   6.197
  242    H    THR  37           H        THR  37  -5.306  -2.125   9.592
  243    HA   THR  37           HA       THR  37  -6.193  -0.440  11.786
  244    HB   THR  37           HB       THR  37  -7.318  -2.615  11.333
  245    HG1  THR  37           1HG      THR  37  -6.043  -2.683  13.881
  246   1HG2  THR  37          1HG2      THR  37  -5.354  -3.932  10.679
  247   2HG2  THR  37          2HG2      THR  37  -6.215  -4.700  12.014
  248   3HG2  THR  37          3HG2      THR  37  -4.722  -3.810  12.321
  249    H    ASN  38           H        ASN  38  -3.289  -1.129  10.540
  250    HA   ASN  38           HA       ASN  38  -1.946  -1.343  13.145
  251   1HB   ASN  38          2HB       ASN  38  -1.337  -2.995  11.347
  252   1HD2  ASN  38          1HD2      ASN  38   1.295  -2.755  10.428
  253   2HD2  ASN  38          2HD2      ASN  38   2.325  -2.681  11.817
  254    H    LYS  39           H        LYS  39  -0.373   0.193  13.740
  255    HA   LYS  39           HA       LYS  39  -1.105   2.817  12.828
  256   1HB   LYS  39          2HB       LYS  39   0.108   3.670  14.694
  257   1HG   LYS  39          2HG       LYS  39   1.293   1.771  16.170
  258   1HD   LYS  39          2HD       LYS  39   2.657   3.423  14.036
  259   1HE   LYS  39          2HE       LYS  39   3.734   2.166  16.552
  260   1HZ   LYS  39          1HZ       LYS  39   4.664   4.361  16.203
  261   2HZ   LYS  39          2HZ       LYS  39   5.072   3.971  14.604
  262   3HZ   LYS  39          3HZ       LYS  39   5.830   3.170  15.893
  263    H    ASP  40           H        ASP  40   1.232   0.635  11.798
  264    HA   ASP  40           HA       ASP  40   2.929   2.818  10.787
  265   1HB   ASP  40          2HB       ASP  40   3.868   1.479  12.807
  266    H    TRP  41           H        TRP  41   2.861  -0.721  10.532
  267    HA   TRP  41           HA       TRP  41   3.365  -0.481   7.688
  268   1HB   TRP  41          2HB       TRP  41   3.358  -2.838   9.574
  269    HD1  TRP  41           HD       TRP  41   5.444  -2.120  10.982
  270    HE1  TRP  41           1HE      TRP  41   7.911  -1.663  10.406
  271    HE3  TRP  41           3HE      TRP  41   5.079  -1.996   5.885
  272    HZ2  TRP  41           2HZ      TRP  41   9.489  -1.295   8.095
  273    HZ3  TRP  41           3HZ      TRP  41   7.113  -1.584   4.567
  274    HH2  TRP  41           HH       TRP  41   9.271  -1.241   5.651
  275    H    TRP  42           H        TRP  42   1.762  -0.357   6.331
  276    HA   TRP  42           HA       TRP  42  -0.791  -1.653   6.971
  277   1HB   TRP  42          2HB       TRP  42  -0.003   0.501   5.027
  278    HD1  TRP  42           HD       TRP  42  -0.820   0.054   8.450
  279    HE1  TRP  42           1HE      TRP  42  -2.134   2.038   9.420
  280    HE3  TRP  42           3HE      TRP  42  -2.311   2.189   4.093
  281    HZ2  TRP  42           2HZ      TRP  42  -3.610   4.247   8.445
  282    HZ3  TRP  42           3HZ      TRP  42  -3.671   4.257   4.175
  283    HH2  TRP  42           HH       TRP  42  -4.305   5.261   6.318
  284    H    LYS  43           H        LYS  43  -1.878  -2.804   5.189
  285    HA   LYS  43           HA       LYS  43   0.109  -4.303   3.615
  286   1HB   LYS  43          2HB       LYS  43  -1.398  -5.477   5.438
  287   1HG   LYS  43          2HG       LYS  43  -1.238  -6.667   2.677
  288   1HD   LYS  43          2HD       LYS  43  -1.288  -8.004   5.390
  289   1HE   LYS  43          2HE       LYS  43  -1.908  -9.998   3.958
  290   1HZ   LYS  43          1HZ       LYS  43   0.301  -9.764   4.935
  291   2HZ   LYS  43          2HZ       LYS  43   0.834  -8.921   3.562
  292   3HZ   LYS  43          3HZ       LYS  43   0.353 -10.538   3.431
  293    H    VAL  44           H        VAL  44   0.012  -3.948   1.511
  294    HA   VAL  44           HA       VAL  44  -2.561  -3.098   0.366
  295    HB   VAL  44           HB       VAL  44  -1.344  -1.599  -1.188
  296   1HG1  VAL  44          1HG1      VAL  44  -0.936  -0.958   1.732
  297   2HG1  VAL  44          2HG1      VAL  44  -0.952   0.209   0.408
  298   3HG1  VAL  44          3HG1      VAL  44  -2.416  -0.693   0.808
  299   1HG2  VAL  44          1HG2      VAL  44   1.024  -2.120   0.611
  300   2HG2  VAL  44          2HG2      VAL  44   0.854  -2.681  -1.055
  301   3HG2  VAL  44          3HG2      VAL  44   0.955  -0.954  -0.711
  302    H    GLU  45           H        GLU  45  -2.623  -3.382  -2.008
  303    HA   GLU  45           HA       GLU  45  -0.883  -5.564  -2.916
  304   1HB   GLU  45          2HB       GLU  45  -3.074  -6.473  -2.248
  305   1HG   GLU  45          2HG       GLU  45  -2.909  -6.468  -5.248
  306    H    VAL  46           H        VAL  46   0.194  -4.972  -4.641
  307    HA   VAL  46           HA       VAL  46  -1.039  -3.034  -6.491
  308    HB   VAL  46           HB       VAL  46   1.910  -3.230  -6.427
  309   1HG1  VAL  46          1HG1      VAL  46   1.608  -0.713  -6.615
  310   2HG1  VAL  46          2HG1      VAL  46   1.010  -1.693  -7.959
  311   3HG1  VAL  46          3HG1      VAL  46  -0.116  -1.050  -6.770
  312   1HG2  VAL  46          1HG2      VAL  46   1.474  -3.233  -4.045
  313   2HG2  VAL  46          2HG2      VAL  46   2.120  -1.670  -4.542
  314   3HG2  VAL  46          3HG2      VAL  46   0.396  -1.845  -4.218
  315    H    ASN  47           H        ASN  47  -1.202  -3.683  -8.528
  316    HA   ASN  47           HA       ASN  47  -1.525  -5.165 -10.167
  317   1HB   ASN  47          2HB       ASN  47   0.469  -6.089 -11.290
  318   1HD2  ASN  47          1HD2      ASN  47   2.287  -3.682  -9.693
  319   2HD2  ASN  47          2HD2      ASN  47   3.542  -4.723  -9.101
  320    H    ASP  48           H        ASP  48   0.958  -7.160  -8.570
  321    HA   ASP  48           HA       ASP  48  -1.138  -9.107  -7.958
  322   1HB   ASP  48          2HB       ASP  48  -0.014  -9.817 -10.030
  323    H    ARG  49           H        ARG  49   1.542  -7.332  -7.015
  324    HA   ARG  49           HA       ARG  49   2.489  -9.216  -5.013
  325   1HB   ARG  49          2HB       ARG  49   4.176  -8.017  -6.274
  326   1HG   ARG  49          2HG       ARG  49   4.145  -6.653  -3.607
  327   1HD   ARG  49          2HD       ARG  49   6.566  -6.940  -3.744
  328    HE   ARG  49           HE       ARG  49   5.773  -4.891  -4.828
  329   1HH1  ARG  49          2HH1      ARG  49   6.902  -7.509  -6.843
  330   2HH1  ARG  49          1HH1      ARG  49   7.184  -6.506  -8.235
  331   1HH2  ARG  49          2HH2      ARG  49   6.127  -3.549  -6.650
  332   2HH2  ARG  49          1HH2      ARG  49   6.792  -4.242  -8.107
  333    H    GLN  50           H        GLN  50   1.308  -9.324  -3.238
  334    HA   GLN  50           HA       GLN  50   0.358  -6.830  -2.029
  335   1HB   GLN  50          2HB       GLN  50  -1.008  -8.355  -0.567
  336   1HG   GLN  50          2HG       GLN  50  -1.356 -10.613  -1.998
  337   1HE2  GLN  50          1HE2      GLN  50  -2.286 -11.008   0.000
  338   2HE2  GLN  50          2HE2      GLN  50  -1.347 -11.512   1.368
  339    H    GLY  51           H        GLY  51   0.872  -6.321   0.102
  340   1HA   GLY  51          1HA       GLY  51   2.340  -7.868   1.885
  341   2HA   GLY  51          2HA       GLY  51   3.505  -7.038   0.864
  342    H    PHE  52           H        PHE  52   4.289  -5.825   2.613
  343    HA   PHE  52           HA       PHE  52   2.352  -3.968   3.796
  344   1HB   PHE  52          2HB       PHE  52   4.869  -5.188   4.855
  345    HD1  PHE  52           1HD      PHE  52   2.158  -3.608   6.727
  346    HD2  PHE  52           2HD      PHE  52   3.735  -7.278   5.272
  347    HE1  PHE  52           1HE      PHE  52   0.641  -4.839   8.214
  348    HE2  PHE  52           2HE      PHE  52   2.212  -8.518   6.755
  349    HZ   PHE  52           HZ       PHE  52   0.668  -7.293   8.234
  350    H    VAL  53           H        VAL  53   2.739  -1.858   3.986
  351    HA   VAL  53           HA       VAL  53   5.210  -0.682   2.914
  352    HB   VAL  53           HB       VAL  53   3.897   1.115   1.812
  353   1HG1  VAL  53          1HG1      VAL  53   4.765  -0.695   0.460
  354   2HG1  VAL  53          2HG1      VAL  53   3.319  -1.655   0.781
  355   3HG1  VAL  53          3HG1      VAL  53   3.199  -0.166  -0.156
  356   1HG2  VAL  53          1HG2      VAL  53   1.522  -0.662   2.369
  357   2HG2  VAL  53          2HG2      VAL  53   1.828   0.926   3.074
  358   3HG2  VAL  53          3HG2      VAL  53   1.511   0.774   1.345
  359    HA   PRO  54           HA       PRO  54   4.624   2.000   6.453
  360   1HB   PRO  54          2HB       PRO  54   5.532   4.370   5.147
  361   1HG   PRO  54          2HG       PRO  54   7.041   3.614   3.628
  362   1HD   PRO  54          2HD       PRO  54   5.436   2.337   2.604
  363    H    ALA  55           H        ALA  55   2.922   3.062   7.245
  364    HA   ALA  55           HA       ALA  55   0.695   3.730   5.685
  365   1HB   ALA  55          1HB       ALA  55   1.384   4.667   8.471
  366   2HB   ALA  55          2HB       ALA  55  -0.212   4.742   7.722
  367   3HB   ALA  55          3HB       ALA  55   0.535   3.180   8.054
  368    H    ALA  56           H        ALA  56   3.468   5.598   6.578
  369    HA   ALA  56           HA       ALA  56   2.272   8.154   6.005
  370   1HB   ALA  56          1HB       ALA  56   4.013   7.925   7.704
  371   2HB   ALA  56          2HB       ALA  56   5.158   7.416   6.463
  372   3HB   ALA  56          3HB       ALA  56   4.496   9.052   6.436
  373    H    TYR  57           H        TYR  57   3.051   5.743   3.991
  374    HA   TYR  57           HA       TYR  57   4.258   7.509   1.964
  375   1HB   TYR  57          2HB       TYR  57   4.511   4.574   2.464
  376    HD1  TYR  57           1HD      TYR  57   6.873   5.021   0.231
  377    HD2  TYR  57           2HD      TYR  57   5.848   6.654   4.017
  378    HE1  TYR  57           1HE      TYR  57   9.225   5.633   0.595
  379    HE2  TYR  57           2HE      TYR  57   8.195   7.262   4.399
  380    HH   TYR  57           HH       TYR  57  10.467   6.481   3.576
  381    H    VAL  58           H        VAL  58   1.431   5.761   2.759
  382    HA   VAL  58           HA       VAL  58   0.400   6.252   0.046
  383    HB   VAL  58           HB       VAL  58  -1.212   4.440   0.393
  384   1HG1  VAL  58          1HG1      VAL  58   0.865   3.912  -0.721
  385   2HG1  VAL  58          2HG1      VAL  58   1.658   3.636   0.833
  386   3HG1  VAL  58          3HG1      VAL  58   0.374   2.553   0.291
  387   1HG2  VAL  58          1HG2      VAL  58  -1.385   4.536   2.826
  388   2HG2  VAL  58          2HG2      VAL  58  -0.985   2.907   2.285
  389   3HG2  VAL  58          3HG2      VAL  58   0.267   3.940   2.976
  390    H    LYS  59           H        LYS  59  -1.728   7.048  -0.136
  391    HA   LYS  59           HA       LYS  59  -2.695   8.376   2.316
  392   1HB   LYS  59          2HB       LYS  59  -1.882   9.913   0.539
  393   1HG   LYS  59          2HG       LYS  59  -4.832   9.982   1.097
  394   1HD   LYS  59          2HD       LYS  59  -3.095  12.088  -0.183
  395   1HE   LYS  59          2HE       LYS  59  -5.275  13.338  -0.293
  396   1HZ   LYS  59          1HZ       LYS  59  -4.107  12.802   2.384
  397   2HZ   LYS  59          2HZ       LYS  59  -5.170  14.074   2.046
  398   3HZ   LYS  59          3HZ       LYS  59  -3.648  14.018   1.299
  399    H    LYS  60           H        LYS  60  -4.877   8.304   2.796
  400    HA   LYS  60           HA       LYS  60  -6.430   6.175   1.741
  401   1HB   LYS  60          2HB       LYS  60  -7.273   8.570   3.386
  402   1HG   LYS  60          2HG       LYS  60  -5.777   6.884   4.526
  403   1HD   LYS  60          2HD       LYS  60  -6.522   4.809   3.656
  404   1HE   LYS  60          2HE       LYS  60  -8.803   5.424   2.977
  405   1HZ   LYS  60          1HZ       LYS  60 -10.580   5.486   4.580
  406   2HZ   LYS  60          2HZ       LYS  60  -9.439   6.672   4.975
  407   3HZ   LYS  60          3HZ       LYS  60  -9.499   5.232   5.861
  408    H    LEU  61           H        LEU  61  -7.324   6.149  -0.219
  409    HA   LEU  61           HA       LEU  61  -8.338   8.620  -1.387
  410   1HB   LEU  61          2HB       LEU  61  -8.217   5.777  -2.390
  411    HG   LEU  61           HG       LEU  61  -6.064   7.122  -2.557
  412   1HD1  LEU  61          1HD1      LEU  61  -5.692   6.484  -4.890
  413   2HD1  LEU  61          2HD1      LEU  61  -6.547   5.220  -4.008
  414   3HD1  LEU  61          3HD1      LEU  61  -7.428   6.274  -5.114
  415   1HD2  LEU  61          1HD2      LEU  61  -6.055   8.783  -4.429
  416   2HD2  LEU  61          2HD2      LEU  61  -7.816   8.759  -4.387
  417   3HD2  LEU  61          3HD2      LEU  61  -6.904   9.316  -2.982
  418    H    ASP  62           H        ASP  62  -9.260   7.185   1.046
  419    HA   ASP  62           HA       ASP  62 -12.120   7.019   0.411
  420   1HB   ASP  62          2HB       ASP  62 -11.418   4.809   1.036
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -7.058  -9.845  -6.312
    2   2H    MET   1          2H        MET   1  -6.049  -8.809  -5.412
    3   3H    MET   1          3H        MET   1  -7.192  -8.166  -6.491
    4    HA   MET   1           HA       MET   1  -7.931  -9.812  -4.152
    5   1HB   MET   1          2HB       MET   1  -6.718  -7.661  -3.570
    6   1HG   MET   1          2HG       MET   1  -8.368  -6.844  -1.950
    7   1HE   MET   1          1HE       MET   1  -8.845  -9.610   0.740
    8   2HE   MET   1          2HE       MET   1  -8.762  -7.877   0.422
    9   3HE   MET   1          3HE       MET   1 -10.084  -8.834  -0.247
   10    H    ASP   2           H        ASP   2  -9.217  -6.868  -5.656
   11    HA   ASP   2           HA       ASP   2 -11.330  -8.265  -6.997
   12   1HB   ASP   2          2HB       ASP   2 -13.199  -7.219  -5.765
   13    H    GLU   3           H        GLU   3 -10.393  -5.090  -5.659
   14    HA   GLU   3           HA       GLU   3  -9.729  -3.196  -6.721
   15   1HB   GLU   3          2HB       GLU   3 -10.005  -4.901  -9.184
   16   1HG   GLU   3          2HG       GLU   3  -7.551  -3.659  -7.960
   17    H    THR   4           H        THR   4 -12.780  -4.605  -7.282
   18    HA   THR   4           HA       THR   4 -14.013  -2.736  -8.938
   19    HB   THR   4           HB       THR   4 -15.670  -3.787  -6.717
   20    HG1  THR   4           1HG      THR   4 -15.055  -5.792  -6.946
   21   1HG2  THR   4          1HG2      THR   4 -15.877  -3.928  -9.730
   22   2HG2  THR   4          2HG2      THR   4 -16.656  -2.732  -8.693
   23   3HG2  THR   4          3HG2      THR   4 -17.121  -4.431  -8.584
   24    H    GLY   5           H        GLY   5 -13.211  -2.477  -5.525
   25   1HA   GLY   5          1HA       GLY   5 -13.167   0.159  -5.175
   26   2HA   GLY   5          2HA       GLY   5 -14.902  -0.136  -5.169
   27    H    LYS   6           H        LYS   6 -13.091   0.796  -3.016
   28    HA   LYS   6           HA       LYS   6 -13.994  -0.614  -0.802
   29   1HB   LYS   6          2HB       LYS   6 -12.105  -1.980  -0.152
   30   1HG   LYS   6          2HG       LYS   6 -10.791  -1.426  -2.801
   31   1HD   LYS   6          2HD       LYS   6  -8.849  -2.446  -1.696
   32   1HE   LYS   6          2HE       LYS   6 -10.585  -3.784  -3.040
   33   1HZ   LYS   6          1HZ       LYS   6 -11.163  -4.884  -0.339
   34   2HZ   LYS   6          2HZ       LYS   6 -11.684  -5.524  -1.821
   35   3HZ   LYS   6          3HZ       LYS   6 -12.261  -4.019  -1.302
   36    H    GLU   7           H        GLU   7 -11.652  -0.523   0.777
   37    HA   GLU   7           HA       GLU   7 -11.498   2.099   1.660
   38   1HB   GLU   7          2HB       GLU   7  -9.593  -0.220   1.961
   39   1HG   GLU   7          2HG       GLU   7 -11.824   0.665   3.497
   40    H    LEU   8           H        LEU   8  -9.076   0.381  -0.344
   41    HA   LEU   8           HA       LEU   8  -7.519   1.045  -1.840
   42   1HB   LEU   8          2HB       LEU   8  -9.505   3.271  -2.260
   43    HG   LEU   8           HG       LEU   8 -10.266   0.941  -2.874
   44   1HD1  LEU   8          1HD1      LEU   8 -11.113   1.615  -5.063
   45   2HD1  LEU   8          2HD1      LEU   8 -11.225   2.935  -3.898
   46   3HD1  LEU   8          3HD1      LEU   8  -9.945   2.936  -5.113
   47   1HD2  LEU   8          1HD2      LEU   8  -8.122   0.040  -3.609
   48   2HD2  LEU   8          2HD2      LEU   8  -9.309  -0.039  -4.911
   49   3HD2  LEU   8          3HD2      LEU   8  -8.066   1.213  -4.925
   50    H    VAL   9           H        VAL   9  -5.657   2.203  -2.114
   51    HA   VAL   9           HA       VAL   9  -5.364   4.736  -0.697
   52    HB   VAL   9           HB       VAL   9  -3.003   4.040  -0.043
   53   1HG1  VAL   9          1HG1      VAL   9  -4.730   4.422   1.615
   54   2HG1  VAL   9          2HG1      VAL   9  -5.366   2.795   1.365
   55   3HG1  VAL   9          3HG1      VAL   9  -3.765   3.019   2.066
   56   1HG2  VAL   9          1HG2      VAL   9  -4.212   1.299  -0.417
   57   2HG2  VAL   9          2HG2      VAL   9  -2.885   1.992  -1.352
   58   3HG2  VAL   9          3HG2      VAL   9  -2.667   1.644   0.363
   59    H    LEU  10           H        LEU  10  -3.742   6.082  -1.462
   60    HA   LEU  10           HA       LEU  10  -2.913   5.475  -4.217
   61   1HB   LEU  10          2HB       LEU  10  -4.257   7.322  -4.412
   62    HG   LEU  10           HG       LEU  10  -1.562   8.494  -3.844
   63   1HD1  LEU  10          1HD1      LEU  10  -3.121   8.074  -6.379
   64   2HD1  LEU  10          2HD1      LEU  10  -1.524   8.815  -6.259
   65   3HD1  LEU  10          3HD1      LEU  10  -1.744   7.118  -5.831
   66   1HD2  LEU  10          1HD2      LEU  10  -2.393  10.586  -4.818
   67   2HD2  LEU  10          2HD2      LEU  10  -4.027   9.923  -4.817
   68   3HD2  LEU  10          3HD2      LEU  10  -3.187  10.201  -3.291
   69    H    ALA  11           H        ALA  11  -0.796   5.219  -4.576
   70    HA   ALA  11           HA       ALA  11   1.127   5.560  -2.503
   71   1HB   ALA  11          1HB       ALA  11   1.535   5.029  -5.448
   72   2HB   ALA  11          2HB       ALA  11   2.754   4.853  -4.184
   73   3HB   ALA  11          3HB       ALA  11   1.333   3.806  -4.194
   74    H    LEU  12           H        LEU  12   1.828   7.502  -1.853
   75    HA   LEU  12           HA       LEU  12   1.784   9.790  -3.640
   76   1HB   LEU  12          2HB       LEU  12   2.897   9.638  -0.839
   77    HG   LEU  12           HG       LEU  12   0.489   9.041  -0.778
   78   1HD1  LEU  12          1HD1      LEU  12   1.208  11.768   0.287
   79   2HD1  LEU  12          2HD1      LEU  12  -0.126  10.765   0.853
   80   3HD1  LEU  12          3HD1      LEU  12   1.539  10.223   1.070
   81   1HD2  LEU  12          1HD2      LEU  12  -0.225  10.218  -2.801
   82   2HD2  LEU  12          2HD2      LEU  12  -1.167  10.736  -1.403
   83   3HD2  LEU  12          3HD2      LEU  12   0.120  11.766  -2.030
   84    H    TYR  13           H        TYR  13   4.117   7.679  -2.129
   85    HA   TYR  13           HA       TYR  13   6.284   9.094  -3.533
   86   1HB   TYR  13          2HB       TYR  13   6.695   7.509  -1.004
   87    HD1  TYR  13           1HD      TYR  13   6.290   8.322   1.187
   88    HD2  TYR  13           2HD      TYR  13   5.892  10.941  -2.139
   89    HE1  TYR  13           1HE      TYR  13   5.324  10.033   2.655
   90    HE2  TYR  13           2HE      TYR  13   4.935  12.662  -0.675
   91    HH   TYR  13           HH       TYR  13   5.083  12.519   2.678
   92    H    ASP  14           H        ASP  14   8.008   7.734  -4.321
   93    HA   ASP  14           HA       ASP  14   7.161   5.104  -5.090
   94   1HB   ASP  14          2HB       ASP  14   9.313   4.958  -6.230
   95    H    TYR  15           H        TYR  15   7.753   3.186  -4.210
   96    HA   TYR  15           HA       TYR  15   9.484   3.303  -1.836
   97   1HB   TYR  15          2HB       TYR  15   7.058   3.307  -1.210
   98    HD1  TYR  15           1HD      TYR  15   8.980   3.407   0.630
   99    HD2  TYR  15           2HD      TYR  15   7.106  -0.150  -0.745
  100    HE1  TYR  15           1HE      TYR  15   9.639   2.267   2.699
  101    HE2  TYR  15           2HE      TYR  15   7.779  -1.308   1.301
  102    HH   TYR  15           HH       TYR  15   8.959   0.321   4.047
  103    H    GLN  16           H        GLN  16  11.094   1.929  -1.992
  104    HA   GLN  16           HA       GLN  16  10.708  -0.502  -3.586
  105   1HB   GLN  16          2HB       GLN  16  12.594   0.964  -4.247
  106   1HG   GLN  16          2HG       GLN  16  14.305  -0.661  -4.423
  107   1HE2  GLN  16          1HE2      GLN  16  11.829  -2.832  -3.285
  108   2HE2  GLN  16          2HE2      GLN  16  11.220  -3.283  -4.850
  109    H    GLU  17           H        GLU  17  10.065  -2.131  -2.415
  110    HA   GLU  17           HA       GLU  17  10.248  -2.566   0.291
  111   1HB   GLU  17          2HB       GLU  17   9.820  -4.903  -0.195
  112   1HG   GLU  17          2HG       GLU  17  10.710  -4.251  -2.988
  113    H    LYS  18           H        LYS  18  11.698  -3.520   1.680
  114    HA   LYS  18           HA       LYS  18  14.342  -4.194   0.574
  115   1HB   LYS  18          2HB       LYS  18  13.525  -3.403   3.386
  116   1HG   LYS  18          2HG       LYS  18  15.607  -2.101   1.644
  117   1HD   LYS  18          2HD       LYS  18  14.156  -1.122   4.093
  118   1HE   LYS  18          2HE       LYS  18  14.951   0.642   2.572
  119   1HZ   LYS  18          1HZ       LYS  18  16.786  -0.454   1.522
  120   2HZ   LYS  18          2HZ       LYS  18  17.599  -0.632   2.999
  121   3HZ   LYS  18          3HZ       LYS  18  17.379   0.913   2.335
  122    H    SER  19           H        SER  19  11.637  -5.689   1.078
  123    HA   SER  19           HA       SER  19  12.796  -8.252   1.433
  124   1HB   SER  19          2HB       SER  19  11.750  -8.875   3.543
  125    HG   SER  19           HG       SER  19  10.816  -6.182   3.673
  126    HA   PRO  20           HA       PRO  20   9.158  -9.232  -0.919
  127   1HB   PRO  20          2HB       PRO  20   8.664 -11.800  -0.071
  128   1HG   PRO  20          2HG       PRO  20  10.205 -11.889   1.660
  129   1HD   PRO  20          2HD       PRO  20  11.934 -10.352   1.856
  130    H    ALA  21           H        ALA  21   9.106  -9.261   2.513
  131    HA   ALA  21           HA       ALA  21   6.275  -9.677   2.798
  132   1HB   ALA  21          1HB       ALA  21   8.284  -8.493   4.718
  133   2HB   ALA  21          2HB       ALA  21   6.614  -8.903   5.111
  134   3HB   ALA  21          3HB       ALA  21   7.750 -10.173   4.663
  135    H    GLU  22           H        GLU  22   8.349  -7.108   1.972
  136    HA   GLU  22           HA       GLU  22   6.264  -5.073   2.247
  137   1HB   GLU  22          2HB       GLU  22   9.152  -4.970   1.349
  138   1HG   GLU  22          2HG       GLU  22   7.996  -3.382   3.575
  139    H    VAL  23           H        VAL  23   6.098  -3.632   0.164
  140    HA   VAL  23           HA       VAL  23   6.468  -5.321  -2.222
  141    HB   VAL  23           HB       VAL  23   4.398  -4.904  -3.153
  142   1HG1  VAL  23          1HG1      VAL  23   2.698  -5.422  -1.484
  143   2HG1  VAL  23          2HG1      VAL  23   4.144  -6.418  -1.310
  144   3HG1  VAL  23          3HG1      VAL  23   3.866  -5.069  -0.211
  145   1HG2  VAL  23          1HG2      VAL  23   2.806  -3.206  -2.371
  146   2HG2  VAL  23          2HG2      VAL  23   4.004  -2.664  -1.201
  147   3HG2  VAL  23          3HG2      VAL  23   4.330  -2.508  -2.922
  148    H    THR  24           H        THR  24   7.057  -4.331  -4.065
  149    HA   THR  24           HA       THR  24   8.124  -1.667  -3.953
  150    HB   THR  24           HB       THR  24   7.803  -3.448  -6.378
  151    HG1  THR  24           1HG      THR  24   8.973  -4.427  -4.532
  152   1HG2  THR  24          1HG2      THR  24   9.734  -2.198  -7.227
  153   2HG2  THR  24          2HG2      THR  24   9.746  -1.220  -5.760
  154   3HG2  THR  24          3HG2      THR  24   8.382  -1.122  -6.873
  155    H    MET  25           H        MET  25   7.072   0.167  -4.515
  156    HA   MET  25           HA       MET  25   4.835   0.013  -6.391
  157   1HB   MET  25          2HB       MET  25   3.316   1.218  -5.005
  158   1HG   MET  25          2HG       MET  25   5.510   1.446  -2.957
  159   1HE   MET  25          1HE       MET  25   3.457   3.650  -0.391
  160   2HE   MET  25          2HE       MET  25   5.047   2.982  -0.761
  161   3HE   MET  25          3HE       MET  25   4.338   4.207  -1.812
  162    H    LYS  26           H        LYS  26   4.561   1.846  -7.634
  163    HA   LYS  26           HA       LYS  26   6.473   4.014  -7.124
  164   1HB   LYS  26          2HB       LYS  26   5.346   2.926  -9.687
  165   1HG   LYS  26          2HG       LYS  26   7.575   2.138  -8.759
  166   1HD   LYS  26          2HD       LYS  26   8.461   4.860  -9.714
  167   1HE   LYS  26          2HE       LYS  26  10.629   4.196  -8.783
  168   1HZ   LYS  26          1HZ       LYS  26  11.250   2.588 -10.446
  169   2HZ   LYS  26          2HZ       LYS  26  10.210   3.740 -11.129
  170   3HZ   LYS  26          3HZ       LYS  26   9.625   2.197 -10.737
  171    H    LYS  27           H        LYS  27   5.801   6.037  -6.930
  172    HA   LYS  27           HA       LYS  27   3.245   6.521  -5.999
  173   1HB   LYS  27          2HB       LYS  27   3.858   8.737  -5.714
  174   1HG   LYS  27          2HG       LYS  27   4.399   9.012  -8.253
  175   1HD   LYS  27          2HD       LYS  27   7.151   8.798  -7.034
  176   1HE   LYS  27          2HE       LYS  27   6.409   9.472  -9.865
  177   1HZ   LYS  27          1HZ       LYS  27   8.712  10.204  -9.968
  178   2HZ   LYS  27          2HZ       LYS  27   8.614   8.557  -9.566
  179   3HZ   LYS  27          3HZ       LYS  27   8.962   9.708  -8.366
  180    H    GLY  28           H        GLY  28   1.458   7.553  -6.793
  181   1HA   GLY  28          1HA       GLY  28   0.227   8.604  -8.570
  182   2HA   GLY  28          2HA       GLY  28   1.323   7.850  -9.720
  183    H    ASP  29           H        ASP  29   1.164   5.266  -8.196
  184    HA   ASP  29           HA       ASP  29  -1.136   4.264  -9.627
  185   1HB   ASP  29          2HB       ASP  29   1.078   2.968  -8.065
  186    H    ILE  30           H        ILE  30  -2.918   3.242  -8.791
  187    HA   ILE  30           HA       ILE  30  -3.591   3.879  -6.012
  188    HB   ILE  30           HB       ILE  30  -5.393   2.696  -8.132
  189   1HG1  ILE  30          2HG1      ILE  30  -4.629   4.850  -8.938
  190   1HG2  ILE  30          1HG2      ILE  30  -6.187   2.331  -5.871
  191   2HG2  ILE  30          2HG2      ILE  30  -6.012   4.047  -5.507
  192   3HG2  ILE  30          3HG2      ILE  30  -7.209   3.515  -6.685
  193   1HD1  ILE  30          1HD1      ILE  30  -4.974   6.916  -7.746
  194   2HD1  ILE  30          2HD1      ILE  30  -5.570   6.031  -6.343
  195   3HD1  ILE  30          3HD1      ILE  30  -3.887   5.861  -6.844
  196    H    LEU  31           H        LEU  31  -3.418   2.329  -4.492
  197    HA   LEU  31           HA       LEU  31  -3.019  -0.429  -5.451
  198   1HB   LEU  31          2HB       LEU  31  -2.326   0.307  -2.667
  199    HG   LEU  31           HG       LEU  31  -1.210   2.172  -3.732
  200   1HD1  LEU  31          1HD1      LEU  31   1.051   1.663  -3.121
  201   2HD1  LEU  31          2HD1      LEU  31  -0.032   0.820  -2.012
  202   3HD1  LEU  31          3HD1      LEU  31   0.755  -0.065  -3.320
  203   1HD2  LEU  31          1HD2      LEU  31   0.038   0.160  -5.596
  204   2HD2  LEU  31          2HD2      LEU  31  -1.247   1.280  -6.046
  205   3HD2  LEU  31          3HD2      LEU  31   0.335   1.896  -5.569
  206    H    THR  32           H        THR  32  -3.865  -2.149  -4.162
  207    HA   THR  32           HA       THR  32  -6.493  -1.570  -3.099
  208    HB   THR  32           HB       THR  32  -5.014  -4.204  -3.345
  209    HG1  THR  32           1HG      THR  32  -5.896  -4.363  -5.292
  210   1HG2  THR  32          1HG2      THR  32  -7.911  -3.614  -2.742
  211   2HG2  THR  32          2HG2      THR  32  -6.727  -4.299  -1.627
  212   3HG2  THR  32          3HG2      THR  32  -7.236  -5.218  -3.046
  213    H    LEU  33           H        LEU  33  -6.915  -1.272  -0.966
  214    HA   LEU  33           HA       LEU  33  -4.767  -1.626   0.922
  215   1HB   LEU  33          2HB       LEU  33  -6.969   0.106   0.786
  216    HG   LEU  33           HG       LEU  33  -4.994   0.968   1.718
  217   1HD1  LEU  33          1HD1      LEU  33  -7.028   0.622   3.906
  218   2HD1  LEU  33          2HD1      LEU  33  -5.654   1.723   3.994
  219   3HD1  LEU  33          3HD1      LEU  33  -6.893   1.958   2.761
  220   1HD2  LEU  33          1HD2      LEU  33  -3.921   0.093   3.726
  221   2HD2  LEU  33          2HD2      LEU  33  -5.124  -1.194   3.811
  222   3HD2  LEU  33          3HD2      LEU  33  -3.999  -1.129   2.454
  223    H    LEU  34           H        LEU  34  -4.491  -3.273   2.192
  224    HA   LEU  34           HA       LEU  34  -6.569  -5.347   2.322
  225   1HB   LEU  34          2HB       LEU  34  -3.566  -5.483   2.577
  226    HG   LEU  34           HG       LEU  34  -4.330  -5.395   0.236
  227   1HD1  LEU  34          1HD1      LEU  34  -2.342  -6.668   0.781
  228   2HD1  LEU  34          2HD1      LEU  34  -3.325  -8.094   1.123
  229   3HD1  LEU  34          3HD1      LEU  34  -3.239  -7.453  -0.519
  230   1HD2  LEU  34          1HD2      LEU  34  -5.626  -7.302  -0.660
  231   2HD2  LEU  34          2HD2      LEU  34  -5.921  -7.846   0.992
  232   3HD2  LEU  34          3HD2      LEU  34  -6.554  -6.291   0.444
  233    H    ASN  35           H        ASN  35  -4.482  -3.301   4.204
  234    HA   ASN  35           HA       ASN  35  -5.950  -3.977   6.614
  235   1HB   ASN  35          2HB       ASN  35  -4.357  -5.509   7.172
  236   1HD2  ASN  35          1HD2      ASN  35  -1.926  -3.008   6.956
  237   2HD2  ASN  35          2HD2      ASN  35  -1.785  -2.748   8.659
  238    H    SER  36           H        SER  36  -6.276  -2.209   7.814
  239    HA   SER  36           HA       SER  36  -4.306  -0.039   7.699
  240   1HB   SER  36          2HB       SER  36  -6.254   1.590   7.647
  241    HG   SER  36           HG       SER  36  -8.046   0.329   6.354
  242    H    THR  37           H        THR  37  -5.555  -2.217   9.607
  243    HA   THR  37           HA       THR  37  -6.492  -0.553  11.779
  244    HB   THR  37           HB       THR  37  -7.517  -2.765  11.430
  245    HG1  THR  37           1HG      THR  37  -6.262  -2.035  13.818
  246   1HG2  THR  37          1HG2      THR  37  -4.811  -3.854  12.228
  247   2HG2  THR  37          2HG2      THR  37  -5.548  -3.986  10.633
  248   3HG2  THR  37          3HG2      THR  37  -6.279  -4.809  12.013
  249    H    ASN  38           H        ASN  38  -3.530  -1.337  10.568
  250    HA   ASN  38           HA       ASN  38  -2.175  -1.277  13.162
  251   1HB   ASN  38          2HB       ASN  38  -1.498  -2.926  11.342
  252   1HD2  ASN  38          1HD2      ASN  38   1.176  -2.475  10.499
  253   2HD2  ASN  38          2HD2      ASN  38   2.153  -2.381  11.928
  254    H    LYS  39           H        LYS  39  -0.563   0.389  13.570
  255    HA   LYS  39           HA       LYS  39  -1.557   2.884  12.481
  256   1HB   LYS  39          2HB       LYS  39  -0.677   3.973  14.370
  257   1HG   LYS  39          2HG       LYS  39   0.952   1.537  15.056
  258   1HD   LYS  39          2HD       LYS  39   0.703   4.211  16.417
  259   1HE   LYS  39          2HE       LYS  39   2.968   3.326  16.534
  260   1HZ   LYS  39          1HZ       LYS  39   1.734   0.904  17.732
  261   2HZ   LYS  39          2HZ       LYS  39   3.397   1.221  17.614
  262   3HZ   LYS  39          3HZ       LYS  39   2.480   0.974  16.211
  263    H    ASP  40           H        ASP  40   1.274   0.938  12.054
  264    HA   ASP  40           HA       ASP  40   2.610   3.260  10.854
  265   1HB   ASP  40          2HB       ASP  40   4.760   2.277  11.486
  266    H    TRP  41           H        TRP  41   2.468  -0.318  10.637
  267    HA   TRP  41           HA       TRP  41   3.181  -0.042   7.797
  268   1HB   TRP  41          2HB       TRP  41   3.379  -2.362   9.704
  269    HD1  TRP  41           HD       TRP  41   5.414  -1.224  10.961
  270    HE1  TRP  41           1HE      TRP  41   7.849  -0.767  10.270
  271    HE3  TRP  41           3HE      TRP  41   4.980  -1.927   5.911
  272    HZ2  TRP  41           2HZ      TRP  41   9.380  -0.709   7.910
  273    HZ3  TRP  41           3HZ      TRP  41   6.987  -1.651   4.512
  274    HH2  TRP  41           HH       TRP  41   9.137  -1.055   5.493
  275    H    TRP  42           H        TRP  42   1.629  -0.157   6.363
  276    HA   TRP  42           HA       TRP  42  -0.872  -1.538   7.050
  277   1HB   TRP  42          2HB       TRP  42  -0.186   0.585   5.032
  278    HD1  TRP  42           HD       TRP  42  -0.993   0.181   8.479
  279    HE1  TRP  42           1HE      TRP  42  -2.334   2.158   9.417
  280    HE3  TRP  42           3HE      TRP  42  -2.503   2.243   4.089
  281    HZ2  TRP  42           2HZ      TRP  42  -3.827   4.327   8.421
  282    HZ3  TRP  42           3HZ      TRP  42  -3.917   4.297   4.155
  283    HH2  TRP  42           HH       TRP  42  -4.528   5.302   6.286
  284    H    LYS  43           H        LYS  43  -1.921  -2.677   5.137
  285    HA   LYS  43           HA       LYS  43   0.176  -4.103   3.630
  286   1HB   LYS  43          2HB       LYS  43  -1.261  -5.386   5.456
  287   1HG   LYS  43          2HG       LYS  43  -0.943  -6.545   2.694
  288   1HD   LYS  43          2HD       LYS  43  -0.871  -7.936   5.384
  289   1HE   LYS  43          2HE       LYS  43  -0.788  -8.926   2.542
  290   1HZ   LYS  43          1HZ       LYS  43  -1.340 -10.655   4.877
  291   2HZ   LYS  43          2HZ       LYS  43  -1.370 -11.071   3.234
  292   3HZ   LYS  43          3HZ       LYS  43  -2.576 -10.069   3.875
  293    H    VAL  44           H        VAL  44  -0.031  -4.090   1.480
  294    HA   VAL  44           HA       VAL  44  -2.594  -3.238   0.341
  295    HB   VAL  44           HB       VAL  44  -1.391  -1.735  -1.238
  296   1HG1  VAL  44          1HG1      VAL  44  -2.543  -0.815   0.705
  297   2HG1  VAL  44          2HG1      VAL  44  -1.089  -1.027   1.679
  298   3HG1  VAL  44          3HG1      VAL  44  -1.091   0.114   0.334
  299   1HG2  VAL  44          1HG2      VAL  44   0.862  -1.000  -0.717
  300   2HG2  VAL  44          2HG2      VAL  44   0.931  -2.118   0.646
  301   3HG2  VAL  44          3HG2      VAL  44   0.833  -2.740  -1.001
  302    H    GLU  45           H        GLU  45  -2.591  -3.433  -2.033
  303    HA   GLU  45           HA       GLU  45  -0.982  -5.713  -2.973
  304   1HB   GLU  45          2HB       GLU  45  -3.234  -6.500  -2.613
  305   1HG   GLU  45          2HG       GLU  45  -2.822  -5.919  -5.537
  306    H    VAL  46           H        VAL  46   0.310  -5.100  -4.573
  307    HA   VAL  46           HA       VAL  46  -0.616  -2.952  -6.372
  308    HB   VAL  46           HB       VAL  46   2.289  -3.319  -5.829
  309   1HG1  VAL  46          1HG1      VAL  46   1.881  -1.846  -7.589
  310   2HG1  VAL  46          2HG1      VAL  46   0.529  -1.088  -6.748
  311   3HG1  VAL  46          3HG1      VAL  46   2.175  -0.800  -6.197
  312   1HG2  VAL  46          1HG2      VAL  46   0.420  -1.747  -4.076
  313   2HG2  VAL  46          2HG2      VAL  46   1.399  -3.134  -3.605
  314   3HG2  VAL  46          3HG2      VAL  46   2.179  -1.615  -4.045
  315    H    ASN  47           H        ASN  47  -0.971  -3.794  -8.256
  316    HA   ASN  47           HA       ASN  47  -1.013  -5.065 -10.073
  317   1HB   ASN  47          2HB       ASN  47   0.924  -5.402 -11.338
  318   1HD2  ASN  47          1HD2      ASN  47   2.972  -3.757  -9.151
  319   2HD2  ASN  47          2HD2      ASN  47   4.140  -5.028  -8.978
  320    H    ASP  48           H        ASP  48   1.465  -6.749  -8.143
  321    HA   ASP  48           HA       ASP  48  -0.320  -9.005  -7.878
  322   1HB   ASP  48          2HB       ASP  48   0.875  -9.340 -10.057
  323    H    ARG  49           H        ARG  49   1.684  -6.912  -6.525
  324    HA   ARG  49           HA       ARG  49   3.014  -8.826  -4.738
  325   1HB   ARG  49          2HB       ARG  49   3.546  -5.897  -5.249
  326   1HG   ARG  49          2HG       ARG  49   5.220  -8.348  -5.709
  327   1HD   ARG  49          2HD       ARG  49   6.017  -5.445  -5.677
  328    HE   ARG  49           HE       ARG  49   6.885  -6.429  -7.749
  329   1HH1  ARG  49          2HH1      ARG  49   8.326  -7.414  -4.702
  330   2HH1  ARG  49          1HH1      ARG  49   9.815  -7.919  -5.435
  331   1HH2  ARG  49          2HH2      ARG  49   8.847  -7.088  -8.702
  332   2HH2  ARG  49          1HH2      ARG  49  10.111  -7.733  -7.711
  333    H    GLN  50           H        GLN  50   1.792  -9.310  -3.051
  334    HA   GLN  50           HA       GLN  50   0.244  -7.175  -1.749
  335   1HB   GLN  50          2HB       GLN  50   0.025 -10.180  -1.380
  336   1HG   GLN  50          2HG       GLN  50  -1.999  -8.467  -2.793
  337   1HE2  GLN  50          1HE2      GLN  50  -3.635  -9.654  -3.767
  338   2HE2  GLN  50          2HE2      GLN  50  -3.930 -11.312  -3.349
  339    H    GLY  51           H        GLY  51   1.096  -6.333   0.025
  340   1HA   GLY  51          1HA       GLY  51   2.492  -7.818   2.008
  341   2HA   GLY  51          2HA       GLY  51   3.624  -7.010   0.925
  342    H    PHE  52           H        PHE  52   4.289  -5.846   2.862
  343    HA   PHE  52           HA       PHE  52   2.320  -3.934   3.871
  344   1HB   PHE  52          2HB       PHE  52   4.923  -4.964   4.940
  345    HD1  PHE  52           1HD      PHE  52   2.148  -3.514   6.848
  346    HD2  PHE  52           2HD      PHE  52   3.936  -7.091   5.400
  347    HE1  PHE  52           1HE      PHE  52   0.720  -4.836   8.355
  348    HE2  PHE  52           2HE      PHE  52   2.515  -8.420   6.902
  349    HZ   PHE  52           HZ       PHE  52   0.923  -7.214   8.470
  350    H    VAL  53           H        VAL  53   2.643  -1.783   4.012
  351    HA   VAL  53           HA       VAL  53   5.101  -0.563   2.959
  352    HB   VAL  53           HB       VAL  53   3.819   1.221   1.840
  353   1HG1  VAL  53          1HG1      VAL  53   4.636  -0.646   0.518
  354   2HG1  VAL  53          2HG1      VAL  53   3.133  -1.520   0.821
  355   3HG1  VAL  53          3HG1      VAL  53   3.111  -0.029  -0.121
  356   1HG2  VAL  53          1HG2      VAL  53   1.753   1.114   3.089
  357   2HG2  VAL  53          2HG2      VAL  53   1.418   0.897   1.370
  358   3HG2  VAL  53          3HG2      VAL  53   1.414  -0.496   2.452
  359    HA   PRO  54           HA       PRO  54   4.557   2.123   6.505
  360   1HB   PRO  54          2HB       PRO  54   5.551   4.457   5.477
  361   1HG   PRO  54          2HG       PRO  54   5.839   3.833   3.271
  362   1HD   PRO  54          2HD       PRO  54   5.663   1.637   2.601
  363    H    ALA  55           H        ALA  55   2.779   3.114   7.200
  364    HA   ALA  55           HA       ALA  55   0.623   3.747   5.521
  365   1HB   ALA  55          1HB       ALA  55   0.383   3.094   7.861
  366   2HB   ALA  55          2HB       ALA  55   1.099   4.624   8.364
  367   3HB   ALA  55          3HB       ALA  55  -0.452   4.611   7.524
  368    H    ALA  56           H        ALA  56   3.329   5.651   6.470
  369    HA   ALA  56           HA       ALA  56   2.024   8.199   6.051
  370   1HB   ALA  56          1HB       ALA  56   3.758   7.954   7.759
  371   2HB   ALA  56          2HB       ALA  56   4.935   7.558   6.508
  372   3HB   ALA  56          3HB       ALA  56   4.202   9.163   6.556
  373    H    TYR  57           H        TYR  57   3.112   5.874   4.005
  374    HA   TYR  57           HA       TYR  57   4.223   7.758   2.038
  375   1HB   TYR  57          2HB       TYR  57   4.495   4.799   2.404
  376    HD1  TYR  57           1HD      TYR  57   7.013   5.282   0.416
  377    HD2  TYR  57           2HD      TYR  57   5.668   6.893   4.108
  378    HE1  TYR  57           1HE      TYR  57   9.323   5.868   0.992
  379    HE2  TYR  57           2HE      TYR  57   7.975   7.488   4.700
  380    HH   TYR  57           HH       TYR  57  10.508   7.472   2.451
  381    H    VAL  58           H        VAL  58   1.459   5.903   2.732
  382    HA   VAL  58           HA       VAL  58   0.466   6.324  -0.001
  383    HB   VAL  58           HB       VAL  58  -1.169   4.533   0.450
  384   1HG1  VAL  58          1HG1      VAL  58   0.858   3.949  -0.692
  385   2HG1  VAL  58          2HG1      VAL  58   1.736   3.814   0.835
  386   3HG1  VAL  58          3HG1      VAL  58   0.462   2.654   0.439
  387   1HG2  VAL  58          1HG2      VAL  58  -0.860   3.074   2.411
  388   2HG2  VAL  58          2HG2      VAL  58   0.353   4.190   3.038
  389   3HG2  VAL  58          3HG2      VAL  58  -1.325   4.712   2.871
  390    H    LYS  59           H        LYS  59  -1.650   7.116  -0.262
  391    HA   LYS  59           HA       LYS  59  -2.621   8.604   2.083
  392   1HB   LYS  59          2HB       LYS  59  -1.997  10.006   0.138
  393   1HG   LYS  59          2HG       LYS  59  -4.943   9.912   0.743
  394   1HD   LYS  59          2HD       LYS  59  -3.356  12.020  -0.712
  395   1HE   LYS  59          2HE       LYS  59  -4.913  13.030   0.875
  396   1HZ   LYS  59          1HZ       LYS  59  -7.019  11.465  -0.529
  397   2HZ   LYS  59          2HZ       LYS  59  -7.292  12.676   0.622
  398   3HZ   LYS  59          3HZ       LYS  59  -6.524  11.241   1.078
  399    H    LYS  60           H        LYS  60  -4.672   8.428   2.728
  400    HA   LYS  60           HA       LYS  60  -6.115   6.070   1.948
  401   1HB   LYS  60          2HB       LYS  60  -6.040   7.194   4.285
  402   1HG   LYS  60          2HG       LYS  60  -8.661   6.842   4.530
  403   1HD   LYS  60          2HD       LYS  60  -6.735   4.593   4.059
  404   1HE   LYS  60          2HE       LYS  60  -8.218   3.398   5.625
  405   1HZ   LYS  60          1HZ       LYS  60 -10.101   3.116   4.180
  406   2HZ   LYS  60          2HZ       LYS  60  -8.690   3.208   3.251
  407   3HZ   LYS  60          3HZ       LYS  60  -9.733   4.539   3.341
  408    H    LEU  61           H        LEU  61  -7.086   6.080  -0.019
  409    HA   LEU  61           HA       LEU  61  -8.331   8.472  -1.066
  410   1HB   LEU  61          2HB       LEU  61  -8.110   5.647  -2.115
  411    HG   LEU  61           HG       LEU  61  -6.017   7.046  -2.360
  412   1HD1  LEU  61          1HD1      LEU  61  -6.527   5.180  -3.837
  413   2HD1  LEU  61          2HD1      LEU  61  -7.477   6.244  -4.873
  414   3HD1  LEU  61          3HD1      LEU  61  -5.738   6.486  -4.721
  415   1HD2  LEU  61          1HD2      LEU  61  -6.106   8.770  -4.157
  416   2HD2  LEU  61          2HD2      LEU  61  -7.866   8.694  -4.088
  417   3HD2  LEU  61          3HD2      LEU  61  -6.948   9.237  -2.682
  418    H    ASP  62           H        ASP  62  -9.508   8.323   1.056
  419    HA   ASP  62           HA       ASP  62 -12.113   7.132   0.779
  420   1HB   ASP  62          2HB       ASP  62 -10.822   5.180   1.543
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  -9.729  -2.457  -7.434
    2   2H    MET   1          2H        MET   1 -11.370  -2.877  -7.407
    3   3H    MET   1          3H        MET   1 -10.909  -1.301  -7.823
    4    HA   MET   1           HA       MET   1 -11.533  -2.532  -9.784
    5   1HB   MET   1          2HB       MET   1  -9.604  -2.040 -11.114
    6   1HG   MET   1          2HG       MET   1  -8.008  -2.147  -8.564
    7   1HE   MET   1          1HE       MET   1  -8.096  -1.176 -12.416
    8   2HE   MET   1          2HE       MET   1  -6.377  -0.891 -12.699
    9   3HE   MET   1          3HE       MET   1  -6.950  -2.511 -12.294
   10    H    ASP   2           H        ASP   2 -10.029  -4.356  -7.484
   11    HA   ASP   2           HA       ASP   2  -9.752  -6.657  -9.271
   12   1HB   ASP   2          2HB       ASP   2  -7.607  -7.253  -8.163
   13    H    GLU   3           H        GLU   3 -11.524  -5.601  -6.977
   14    HA   GLU   3           HA       GLU   3 -11.707  -8.017  -5.457
   15   1HB   GLU   3          2HB       GLU   3  -9.728  -6.419  -4.559
   16   1HG   GLU   3          2HG       GLU   3 -10.630  -8.615  -3.540
   17    H    THR   4           H        THR   4 -13.319  -7.413  -3.454
   18    HA   THR   4           HA       THR   4 -15.650  -6.432  -4.857
   19    HB   THR   4           HB       THR   4 -15.905  -7.166  -1.996
   20    HG1  THR   4           1HG      THR   4 -14.284  -8.651  -2.680
   21   1HG2  THR   4          1HG2      THR   4 -17.837  -6.787  -3.458
   22   2HG2  THR   4          2HG2      THR   4 -17.788  -8.451  -2.874
   23   3HG2  THR   4          3HG2      THR   4 -17.286  -8.080  -4.523
   24    H    GLY   5           H        GLY   5 -13.678  -4.400  -4.160
   25   1HA   GLY   5          1HA       GLY   5 -14.020  -2.118  -3.730
   26   2HA   GLY   5          2HA       GLY   5 -15.588  -2.520  -3.049
   27    H    LYS   6           H        LYS   6 -13.094  -0.909  -2.221
   28    HA   LYS   6           HA       LYS   6 -13.596  -1.132   0.535
   29   1HB   LYS   6          2HB       LYS   6 -11.641  -2.043   1.438
   30   1HG   LYS   6          2HG       LYS   6  -9.961  -0.947  -0.004
   31   1HD   LYS   6          2HD       LYS   6 -10.803  -1.478  -2.198
   32   1HE   LYS   6          2HE       LYS   6 -11.802  -3.627  -1.842
   33   1HZ   LYS   6          1HZ       LYS   6 -10.620  -5.585  -1.349
   34   2HZ   LYS   6          2HZ       LYS   6 -10.089  -4.441  -0.216
   35   3HZ   LYS   6          3HZ       LYS   6  -9.114  -4.834  -1.542
   36    H    GLU   7           H        GLU   7 -11.191  -0.016   1.504
   37    HA   GLU   7           HA       GLU   7 -11.736   2.675   1.050
   38   1HB   GLU   7          2HB       GLU   7  -9.196   1.437   2.109
   39   1HG   GLU   7          2HG       GLU   7 -10.247   2.492   4.288
   40    H    LEU   8           H        LEU   8  -9.203   0.660  -0.425
   41    HA   LEU   8           HA       LEU   8  -7.613   1.056  -1.990
   42   1HB   LEU   8          2HB       LEU   8  -9.571   3.190  -2.807
   43    HG   LEU   8           HG       LEU   8 -10.259   0.848  -3.300
   44   1HD1  LEU   8          1HD1      LEU   8  -9.563   2.532  -5.701
   45   2HD1  LEU   8          2HD1      LEU   8 -10.762   1.241  -5.654
   46   3HD1  LEU   8          3HD1      LEU   8 -11.004   2.703  -4.698
   47   1HD2  LEU   8          1HD2      LEU   8  -9.030  -0.342  -5.095
   48   2HD2  LEU   8          2HD2      LEU   8  -7.744   0.860  -4.967
   49   3HD2  LEU   8          3HD2      LEU   8  -8.104  -0.196  -3.602
   50    H    VAL   9           H        VAL   9  -5.687   2.146  -2.224
   51    HA   VAL   9           HA       VAL   9  -5.453   4.701  -0.791
   52    HB   VAL   9           HB       VAL   9  -3.109   3.929  -0.097
   53   1HG1  VAL   9          1HG1      VAL   9  -4.875   4.318   1.508
   54   2HG1  VAL   9          2HG1      VAL   9  -5.534   2.709   1.203
   55   3HG1  VAL   9          3HG1      VAL   9  -3.950   2.885   1.957
   56   1HG2  VAL   9          1HG2      VAL   9  -2.848   1.520   0.263
   57   2HG2  VAL   9          2HG2      VAL   9  -4.369   1.233  -0.583
   58   3HG2  VAL   9          3HG2      VAL   9  -2.992   1.913  -1.450
   59    H    LEU  10           H        LEU  10  -3.910   6.101  -1.504
   60    HA   LEU  10           HA       LEU  10  -2.923   5.564  -4.213
   61   1HB   LEU  10          2HB       LEU  10  -4.248   7.411  -4.432
   62    HG   LEU  10           HG       LEU  10  -1.588   8.548  -3.674
   63   1HD1  LEU  10          1HD1      LEU  10  -1.720   7.312  -5.758
   64   2HD1  LEU  10          2HD1      LEU  10  -3.071   8.316  -6.284
   65   3HD1  LEU  10          3HD1      LEU  10  -1.473   9.031  -6.068
   66   1HD2  LEU  10          1HD2      LEU  10  -3.989  10.081  -4.656
   67   2HD2  LEU  10          2HD2      LEU  10  -3.246  10.216  -3.062
   68   3HD2  LEU  10          3HD2      LEU  10  -2.351  10.716  -4.496
   69    H    ALA  11           H        ALA  11  -0.797   5.333  -4.483
   70    HA   ALA  11           HA       ALA  11   1.032   5.655  -2.305
   71   1HB   ALA  11          1HB       ALA  11   1.260   3.882  -4.018
   72   2HB   ALA  11          2HB       ALA  11   1.624   5.123  -5.217
   73   3HB   ALA  11          3HB       ALA  11   2.717   4.866  -3.857
   74    H    LEU  12           H        LEU  12   1.849   7.553  -1.681
   75    HA   LEU  12           HA       LEU  12   1.749   9.852  -3.448
   76   1HB   LEU  12          2HB       LEU  12   2.945   9.691  -0.682
   77    HG   LEU  12           HG       LEU  12   0.532   9.012  -0.608
   78   1HD1  LEU  12          1HD1      LEU  12  -0.074  10.594   1.145
   79   2HD1  LEU  12          2HD1      LEU  12   1.618  10.112   1.281
   80   3HD1  LEU  12          3HD1      LEU  12   1.201  11.687   0.607
   81   1HD2  LEU  12          1HD2      LEU  12  -0.259  10.281  -2.533
   82   2HD2  LEU  12          2HD2      LEU  12  -1.158  10.724  -1.082
   83   3HD2  LEU  12          3HD2      LEU  12   0.104  11.792  -1.698
   84    H    TYR  13           H        TYR  13   4.181   7.818  -1.931
   85    HA   TYR  13           HA       TYR  13   6.251   9.234  -3.475
   86   1HB   TYR  13          2HB       TYR  13   6.829   7.704  -0.942
   87    HD1  TYR  13           1HD      TYR  13   6.293   8.447   1.220
   88    HD2  TYR  13           2HD      TYR  13   5.951  11.155  -2.037
   89    HE1  TYR  13           1HE      TYR  13   5.291  10.112   2.720
   90    HE2  TYR  13           2HE      TYR  13   4.957  12.831  -0.546
   91    HH   TYR  13           HH       TYR  13   3.775  12.950   1.549
   92    H    ASP  14           H        ASP  14   7.967   7.872  -4.302
   93    HA   ASP  14           HA       ASP  14   6.994   5.278  -5.076
   94   1HB   ASP  14          2HB       ASP  14   9.122   5.147  -6.356
   95    H    TYR  15           H        TYR  15   7.586   3.366  -4.247
   96    HA   TYR  15           HA       TYR  15   9.464   3.481  -1.986
   97   1HB   TYR  15          2HB       TYR  15   7.061   3.480  -1.289
   98    HD1  TYR  15           1HD      TYR  15   9.034   3.641   0.443
   99    HD2  TYR  15           2HD      TYR  15   7.161   0.013  -0.742
  100    HE1  TYR  15           1HE      TYR  15   9.796   2.587   2.511
  101    HE2  TYR  15           2HE      TYR  15   7.938  -1.066   1.319
  102    HH   TYR  15           HH       TYR  15   9.667  -0.801   3.017
  103    H    GLN  16           H        GLN  16  10.934   1.944  -1.884
  104    HA   GLN  16           HA       GLN  16  10.623  -0.395  -3.635
  105   1HB   GLN  16          2HB       GLN  16  12.877   1.375  -3.093
  106   1HG   GLN  16          2HG       GLN  16  11.890   0.713  -5.344
  107   1HE2  GLN  16          1HE2      GLN  16  11.735  -1.829  -3.760
  108   2HE2  GLN  16          2HE2      GLN  16  12.197  -3.061  -4.878
  109    H    GLU  17           H        GLU  17  10.159  -2.188  -2.652
  110    HA   GLU  17           HA       GLU  17  10.199  -2.644   0.103
  111   1HB   GLU  17          2HB       GLU  17   9.720  -4.950  -0.437
  112   1HG   GLU  17          2HG       GLU  17  10.814  -4.295  -3.148
  113    H    LYS  18           H        LYS  18  11.671  -3.553   1.489
  114    HA   LYS  18           HA       LYS  18  14.268  -4.321   0.335
  115   1HB   LYS  18          2HB       LYS  18  13.660  -3.089   3.034
  116   1HG   LYS  18          2HG       LYS  18  15.423  -1.960   0.863
  117   1HD   LYS  18          2HD       LYS  18  14.313  -0.819   3.422
  118   1HE   LYS  18          2HE       LYS  18  14.322   0.814   1.555
  119   1HZ   LYS  18          1HZ       LYS  18  16.420  -0.306   0.545
  120   2HZ   LYS  18          2HZ       LYS  18  17.262   0.762   1.560
  121   3HZ   LYS  18          3HZ       LYS  18  16.190   1.362   0.392
  122    H    SER  19           H        SER  19  11.671  -5.773   1.141
  123    HA   SER  19           HA       SER  19  12.904  -8.185   1.979
  124   1HB   SER  19          2HB       SER  19  11.766  -8.448   4.141
  125    HG   SER  19           HG       SER  19  10.964  -5.730   3.844
  126    HA   PRO  20           HA       PRO  20   9.413  -9.793  -0.224
  127   1HB   PRO  20          2HB       PRO  20   8.860 -12.053   1.294
  128   1HG   PRO  20          2HG       PRO  20  10.435 -11.751   2.951
  129   1HD   PRO  20          2HD       PRO  20  12.126 -10.175   2.778
  130    H    ALA  21           H        ALA  21   9.150  -9.017   3.126
  131    HA   ALA  21           HA       ALA  21   6.291  -9.421   3.257
  132   1HB   ALA  21          1HB       ALA  21   6.459  -8.430   5.491
  133   2HB   ALA  21          2HB       ALA  21   7.627  -9.731   5.268
  134   3HB   ALA  21          3HB       ALA  21   8.153  -8.050   5.194
  135    H    GLU  22           H        GLU  22   8.337  -7.092   1.999
  136    HA   GLU  22           HA       GLU  22   6.340  -4.939   2.200
  137   1HB   GLU  22          2HB       GLU  22   9.244  -4.951   1.367
  138   1HG   GLU  22          2HG       GLU  22   7.983  -3.289   3.498
  139    H    VAL  23           H        VAL  23   6.062  -3.638   0.147
  140    HA   VAL  23           HA       VAL  23   6.600  -5.235  -2.266
  141    HB   VAL  23           HB       VAL  23   4.511  -4.793  -3.288
  142   1HG1  VAL  23          1HG1      VAL  23   2.894  -5.837  -1.823
  143   2HG1  VAL  23          2HG1      VAL  23   4.455  -6.648  -1.749
  144   3HG1  VAL  23          3HG1      VAL  23   3.962  -5.567  -0.446
  145   1HG2  VAL  23          1HG2      VAL  23   4.294  -2.464  -2.401
  146   2HG2  VAL  23          2HG2      VAL  23   2.798  -3.397  -2.457
  147   3HG2  VAL  23          3HG2      VAL  23   3.634  -3.176  -0.928
  148    H    THR  24           H        THR  24   7.152  -4.134  -4.060
  149    HA   THR  24           HA       THR  24   8.002  -1.405  -3.822
  150    HB   THR  24           HB       THR  24   7.847  -3.134  -6.304
  151    HG1  THR  24           1HG      THR  24   9.105  -4.031  -4.488
  152   1HG2  THR  24          1HG2      THR  24   9.536  -0.724  -5.636
  153   2HG2  THR  24          2HG2      THR  24   8.199  -0.773  -6.783
  154   3HG2  THR  24          3HG2      THR  24   9.671  -1.691  -7.103
  155    H    MET  25           H        MET  25   6.885   0.381  -4.422
  156    HA   MET  25           HA       MET  25   4.589   0.065  -6.208
  157   1HB   MET  25          2HB       MET  25   3.120   1.347  -4.813
  158   1HG   MET  25          2HG       MET  25   5.392   1.619  -2.858
  159   1HE   MET  25          1HE       MET  25   4.268   4.402  -1.683
  160   2HE   MET  25          2HE       MET  25   3.505   3.806  -0.209
  161   3HE   MET  25          3HE       MET  25   5.063   3.156  -0.721
  162    H    LYS  26           H        LYS  26   4.376   1.677  -7.641
  163    HA   LYS  26           HA       LYS  26   6.299   3.858  -7.532
  164   1HB   LYS  26          2HB       LYS  26   6.130   2.654  -9.635
  165   1HG   LYS  26          2HG       LYS  26   5.406   4.425 -11.219
  166   1HD   LYS  26          2HD       LYS  26   7.056   6.130 -10.461
  167   1HE   LYS  26          2HE       LYS  26   9.008   4.677 -10.498
  168   1HZ   LYS  26          1HZ       LYS  26   7.538   4.973 -12.534
  169   2HZ   LYS  26          2HZ       LYS  26   6.999   3.387 -12.244
  170   3HZ   LYS  26          3HZ       LYS  26   8.637   3.683 -12.556
  171    H    LYS  27           H        LYS  27   5.726   5.945  -7.125
  172    HA   LYS  27           HA       LYS  27   3.247   6.465  -5.918
  173   1HB   LYS  27          2HB       LYS  27   3.975   8.622  -5.529
  174   1HG   LYS  27          2HG       LYS  27   4.357   9.076  -8.063
  175   1HD   LYS  27          2HD       LYS  27   7.142   8.494  -7.067
  176   1HE   LYS  27          2HE       LYS  27   6.375   9.788  -9.668
  177   1HZ   LYS  27          1HZ       LYS  27   8.685  10.164  -9.908
  178   2HZ   LYS  27          2HZ       LYS  27   8.506   8.524  -9.523
  179   3HZ   LYS  27          3HZ       LYS  27   9.021   9.623  -8.342
  180    H    GLY  28           H        GLY  28   1.470   7.637  -6.568
  181   1HA   GLY  28          1HA       GLY  28   0.123   8.741  -8.185
  182   2HA   GLY  28          2HA       GLY  28   1.223   8.185  -9.441
  183    H    ASP  29           H        ASP  29   1.079   5.482  -7.891
  184    HA   ASP  29           HA       ASP  29  -1.085   4.444  -9.509
  185   1HB   ASP  29          2HB       ASP  29   1.133   3.199  -7.934
  186    H    ILE  30           H        ILE  30  -2.782   3.187  -8.764
  187    HA   ILE  30           HA       ILE  30  -3.667   3.854  -6.045
  188    HB   ILE  30           HB       ILE  30  -5.301   2.614  -8.260
  189   1HG1  ILE  30          2HG1      ILE  30  -4.577   4.772  -9.055
  190   1HG2  ILE  30          1HG2      ILE  30  -6.097   3.966  -5.695
  191   2HG2  ILE  30          2HG2      ILE  30  -7.214   3.403  -6.938
  192   3HG2  ILE  30          3HG2      ILE  30  -6.214   2.244  -6.060
  193   1HD1  ILE  30          1HD1      ILE  30  -3.904   5.824  -6.973
  194   2HD1  ILE  30          2HD1      ILE  30  -5.025   6.842  -7.878
  195   3HD1  ILE  30          3HD1      ILE  30  -5.592   5.934  -6.477
  196    H    LEU  31           H        LEU  31  -3.410   2.332  -4.533
  197    HA   LEU  31           HA       LEU  31  -3.073  -0.452  -5.428
  198   1HB   LEU  31          2HB       LEU  31  -2.463   0.276  -2.632
  199    HG   LEU  31           HG       LEU  31  -1.253   2.129  -3.573
  200   1HD1  LEU  31          1HD1      LEU  31   0.595  -0.215  -3.164
  201   2HD1  LEU  31          2HD1      LEU  31   1.009   1.492  -2.979
  202   3HD1  LEU  31          3HD1      LEU  31  -0.145   0.736  -1.874
  203   1HD2  LEU  31          1HD2      LEU  31   0.324   1.920  -5.372
  204   2HD2  LEU  31          2HD2      LEU  31   0.031   0.184  -5.478
  205   3HD2  LEU  31          3HD2      LEU  31  -1.241   1.319  -5.926
  206    H    THR  32           H        THR  32  -4.081  -2.109  -4.192
  207    HA   THR  32           HA       THR  32  -6.635  -1.297  -3.073
  208    HB   THR  32           HB       THR  32  -5.496  -3.963  -3.881
  209    HG1  THR  32           1HG      THR  32  -6.869  -3.726  -5.506
  210   1HG2  THR  32          1HG2      THR  32  -8.041  -3.479  -2.327
  211   2HG2  THR  32          2HG2      THR  32  -6.635  -4.399  -1.788
  212   3HG2  THR  32          3HG2      THR  32  -7.617  -4.994  -3.126
  213    H    LEU  33           H        LEU  33  -7.016  -1.122  -0.977
  214    HA   LEU  33           HA       LEU  33  -4.916  -1.637   0.894
  215   1HB   LEU  33          2HB       LEU  33  -7.257  -0.010   0.854
  216    HG   LEU  33           HG       LEU  33  -5.289   1.048   1.553
  217   1HD1  LEU  33          1HD1      LEU  33  -7.191   1.806   2.814
  218   2HD1  LEU  33          2HD1      LEU  33  -6.979   0.504   3.985
  219   3HD1  LEU  33          3HD1      LEU  33  -5.770   1.781   3.862
  220   1HD2  LEU  33          1HD2      LEU  33  -4.024  -0.950   2.170
  221   2HD2  LEU  33          2HD2      LEU  33  -3.913   0.286   3.425
  222   3HD2  LEU  33          3HD2      LEU  33  -4.976  -1.103   3.648
  223    H    LEU  34           H        LEU  34  -4.736  -3.206   2.312
  224    HA   LEU  34           HA       LEU  34  -6.796  -5.310   2.352
  225   1HB   LEU  34          2HB       LEU  34  -3.802  -5.473   2.723
  226    HG   LEU  34           HG       LEU  34  -4.439  -5.279   0.347
  227   1HD1  LEU  34          1HD1      LEU  34  -3.530  -8.040   1.127
  228   2HD1  LEU  34          2HD1      LEU  34  -3.292  -7.268  -0.441
  229   3HD1  LEU  34          3HD1      LEU  34  -2.498  -6.617   0.995
  230   1HD2  LEU  34          1HD2      LEU  34  -5.702  -7.101  -0.714
  231   2HD2  LEU  34          2HD2      LEU  34  -6.052  -7.770   0.880
  232   3HD2  LEU  34          3HD2      LEU  34  -6.686  -6.188   0.430
  233    H    ASN  35           H        ASN  35  -4.478  -3.440   4.212
  234    HA   ASN  35           HA       ASN  35  -6.066  -3.827   6.623
  235   1HB   ASN  35          2HB       ASN  35  -4.593  -5.438   7.288
  236   1HD2  ASN  35          1HD2      ASN  35  -2.001  -3.112   6.901
  237   2HD2  ASN  35          2HD2      ASN  35  -1.806  -2.795   8.587
  238    H    SER  36           H        SER  36  -6.185  -2.008   7.823
  239    HA   SER  36           HA       SER  36  -4.090   0.018   7.511
  240   1HB   SER  36          2HB       SER  36  -5.952   1.759   7.495
  241    HG   SER  36           HG       SER  36  -7.969   1.108   6.932
  242    H    THR  37           H        THR  37  -5.484  -1.959   9.589
  243    HA   THR  37           HA       THR  37  -6.219  -0.113  11.673
  244    HB   THR  37           HB       THR  37  -7.365  -2.271  11.526
  245    HG1  THR  37           1HG      THR  37  -7.445  -1.561  13.575
  246   1HG2  THR  37          1HG2      THR  37  -6.246  -4.363  12.120
  247   2HG2  THR  37          2HG2      THR  37  -4.711  -3.509  12.271
  248   3HG2  THR  37          3HG2      THR  37  -5.493  -3.637  10.697
  249    H    ASN  38           H        ASN  38  -3.339  -1.634  10.591
  250    HA   ASN  38           HA       ASN  38  -1.885  -1.426  13.057
  251   1HB   ASN  38          2HB       ASN  38  -1.309  -3.033  11.200
  252   1HD2  ASN  38          1HD2      ASN  38   1.246  -2.771  10.182
  253   2HD2  ASN  38          2HD2      ASN  38   2.360  -2.634  11.509
  254    H    LYS  39           H        LYS  39  -0.384   0.144  13.643
  255    HA   LYS  39           HA       LYS  39  -1.042   2.761  12.613
  256   1HB   LYS  39          2HB       LYS  39  -0.020   3.662  14.544
  257   1HG   LYS  39          2HG       LYS  39   1.262   1.001  15.143
  258   1HD   LYS  39          2HD       LYS  39   1.409   3.685  16.497
  259   1HE   LYS  39          2HE       LYS  39   2.864   2.563  18.117
  260   1HZ   LYS  39          1HZ       LYS  39   3.980   2.231  15.383
  261   2HZ   LYS  39          2HZ       LYS  39   4.835   2.539  16.818
  262   3HZ   LYS  39          3HZ       LYS  39   3.831   3.733  16.161
  263    H    ASP  40           H        ASP  40   1.339   0.507  11.874
  264    HA   ASP  40           HA       ASP  40   3.097   2.647  10.859
  265   1HB   ASP  40          2HB       ASP  40   3.878  -0.041  11.992
  266    H    TRP  41           H        TRP  41   2.819  -0.861  10.381
  267    HA   TRP  41           HA       TRP  41   3.290  -0.441   7.540
  268   1HB   TRP  41          2HB       TRP  41   3.317  -2.923   9.259
  269    HD1  TRP  41           HD       TRP  41   5.386  -2.346  10.729
  270    HE1  TRP  41           1HE      TRP  41   7.846  -1.779  10.230
  271    HE3  TRP  41           3HE      TRP  41   5.059  -1.693   5.664
  272    HZ2  TRP  41           2HZ      TRP  41   9.434  -1.146   7.986
  273    HZ3  TRP  41           3HZ      TRP  41   7.098  -1.111   4.420
  274    HH2  TRP  41           HH       TRP  41   9.238  -0.841   5.557
  275    H    TRP  42           H        TRP  42   1.646  -0.279   6.209
  276    HA   TRP  42           HA       TRP  42  -0.889  -1.595   6.865
  277   1HB   TRP  42          2HB       TRP  42  -0.103   0.581   4.956
  278    HD1  TRP  42           HD       TRP  42  -0.943   0.071   8.354
  279    HE1  TRP  42           1HE      TRP  42  -2.318   2.001   9.346
  280    HE3  TRP  42           3HE      TRP  42  -2.453   2.204   4.032
  281    HZ2  TRP  42           2HZ      TRP  42  -3.874   4.171   8.382
  282    HZ3  TRP  42           3HZ      TRP  42  -3.894   4.215   4.110
  283    HH2  TRP  42           HH       TRP  42  -4.587   5.174   6.249
  284    H    LYS  43           H        LYS  43  -1.962  -2.868   5.228
  285    HA   LYS  43           HA       LYS  43   0.006  -4.325   3.598
  286   1HB   LYS  43          2HB       LYS  43  -1.480  -5.469   5.475
  287   1HG   LYS  43          2HG       LYS  43  -1.263  -6.735   2.753
  288   1HD   LYS  43          2HD       LYS  43  -1.335  -7.956   5.514
  289   1HE   LYS  43          2HE       LYS  43  -1.707 -10.064   4.224
  290   1HZ   LYS  43          1HZ       LYS  43   0.464  -9.738   5.081
  291   2HZ   LYS  43          2HZ       LYS  43   0.877  -8.655   3.847
  292   3HZ   LYS  43          3HZ       LYS  43   0.642 -10.291   3.485
  293    H    VAL  44           H        VAL  44  -0.163  -4.155   1.478
  294    HA   VAL  44           HA       VAL  44  -2.735  -3.352   0.313
  295    HB   VAL  44           HB       VAL  44  -1.572  -1.808  -1.228
  296   1HG1  VAL  44          1HG1      VAL  44  -1.198   0.015   0.369
  297   2HG1  VAL  44          2HG1      VAL  44  -2.657  -0.902   0.746
  298   3HG1  VAL  44          3HG1      VAL  44  -1.188  -1.154   1.690
  299   1HG2  VAL  44          1HG2      VAL  44   0.819  -2.235   0.562
  300   2HG2  VAL  44          2HG2      VAL  44   0.657  -2.817  -1.097
  301   3HG2  VAL  44          3HG2      VAL  44   0.704  -1.085  -0.771
  302    H    GLU  45           H        GLU  45  -2.813  -3.705  -2.021
  303    HA   GLU  45           HA       GLU  45  -0.928  -5.776  -2.919
  304   1HB   GLU  45          2HB       GLU  45  -3.185  -6.687  -2.657
  305   1HG   GLU  45          2HG       GLU  45  -2.432  -6.296  -5.550
  306    H    VAL  46           H        VAL  46   0.293  -5.239  -4.568
  307    HA   VAL  46           HA       VAL  46  -0.630  -3.179  -6.450
  308    HB   VAL  46           HB       VAL  46   2.271  -3.266  -5.889
  309   1HG1  VAL  46          1HG1      VAL  46   1.863  -0.735  -6.067
  310   2HG1  VAL  46          2HG1      VAL  46   1.679  -1.718  -7.520
  311   3HG1  VAL  46          3HG1      VAL  46   0.257  -1.194  -6.628
  312   1HG2  VAL  46          1HG2      VAL  46   2.106  -1.717  -3.992
  313   2HG2  VAL  46          2HG2      VAL  46   0.358  -1.959  -3.971
  314   3HG2  VAL  46          3HG2      VAL  46   1.440  -3.307  -3.616
  315    H    ASN  47           H        ASN  47  -0.287  -3.711  -8.528
  316    HA   ASN  47           HA       ASN  47  -0.135  -5.079 -10.273
  317   1HB   ASN  47          2HB       ASN  47   2.098  -5.978 -10.858
  318   1HD2  ASN  47          1HD2      ASN  47   3.390  -3.654  -8.701
  319   2HD2  ASN  47          2HD2      ASN  47   4.450  -4.728  -7.852
  320    H    ASP  48           H        ASP  48   1.887  -7.233  -8.317
  321    HA   ASP  48           HA       ASP  48  -0.313  -9.150  -8.210
  322   1HB   ASP  48          2HB       ASP  48   2.451  -9.707  -9.300
  323    H    ARG  49           H        ARG  49   1.715  -7.394  -6.483
  324    HA   ARG  49           HA       ARG  49   2.646  -9.582  -4.764
  325   1HB   ARG  49          2HB       ARG  49   4.278  -8.052  -6.066
  326   1HG   ARG  49          2HG       ARG  49   5.054  -7.713  -3.268
  327   1HD   ARG  49          2HD       ARG  49   7.078  -8.909  -4.096
  328    HE   ARG  49           HE       ARG  49   7.341  -6.590  -4.489
  329   1HH1  ARG  49          2HH1      ARG  49   5.790  -8.231  -7.190
  330   2HH1  ARG  49          1HH1      ARG  49   6.126  -6.953  -8.314
  331   1HH2  ARG  49          2HH2      ARG  49   7.794  -4.941  -5.974
  332   2HH2  ARG  49          1HH2      ARG  49   7.250  -5.057  -7.620
  333    H    GLN  50           H        GLN  50   1.394  -9.744  -3.017
  334    HA   GLN  50           HA       GLN  50   0.203  -7.371  -1.797
  335   1HB   GLN  50          2HB       GLN  50  -0.012 -10.264  -0.922
  336   1HG   GLN  50          2HG       GLN  50  -2.342 -10.215  -1.747
  337   1HE2  GLN  50          1HE2      GLN  50  -2.511  -9.652  -4.560
  338   2HE2  GLN  50          2HE2      GLN  50  -1.438 -10.768  -5.343
  339    H    GLY  51           H        GLY  51   1.030  -6.402  -0.027
  340   1HA   GLY  51          1HA       GLY  51   2.676  -7.753   1.867
  341   2HA   GLY  51          2HA       GLY  51   3.653  -6.829   0.733
  342    H    PHE  52           H        PHE  52   4.283  -5.707   2.731
  343    HA   PHE  52           HA       PHE  52   2.253  -3.841   3.709
  344   1HB   PHE  52          2HB       PHE  52   4.901  -4.733   4.831
  345    HD1  PHE  52           1HD      PHE  52   1.488  -3.866   6.063
  346    HD2  PHE  52           2HD      PHE  52   4.596  -6.766   5.847
  347    HE1  PHE  52           1HE      PHE  52   0.175  -5.381   7.489
  348    HE2  PHE  52           2HE      PHE  52   3.292  -8.282   7.269
  349    HZ   PHE  52           HZ       PHE  52   1.126  -7.540   8.186
  350    H    VAL  53           H        VAL  53   2.573  -1.683   3.838
  351    HA   VAL  53           HA       VAL  53   5.054  -0.493   2.812
  352    HB   VAL  53           HB       VAL  53   3.776   1.310   1.697
  353   1HG1  VAL  53          1HG1      VAL  53   4.641  -0.569   0.393
  354   2HG1  VAL  53          2HG1      VAL  53   3.108  -1.409   0.622
  355   3HG1  VAL  53          3HG1      VAL  53   3.157   0.093  -0.298
  356   1HG2  VAL  53          1HG2      VAL  53   1.683   1.107   2.939
  357   2HG2  VAL  53          2HG2      VAL  53   1.404   1.027   1.199
  358   3HG2  VAL  53          3HG2      VAL  53   1.371  -0.447   2.164
  359    HA   PRO  54           HA       PRO  54   4.561   2.102   6.420
  360   1HB   PRO  54          2HB       PRO  54   5.581   4.453   5.447
  361   1HG   PRO  54          2HG       PRO  54   5.874   3.866   3.229
  362   1HD   PRO  54          2HD       PRO  54   5.688   1.685   2.516
  363    H    ALA  55           H        ALA  55   2.792   3.086   7.146
  364    HA   ALA  55           HA       ALA  55   0.640   3.819   5.511
  365   1HB   ALA  55          1HB       ALA  55  -0.377   4.706   7.535
  366   2HB   ALA  55          2HB       ALA  55   0.423   3.170   7.867
  367   3HB   ALA  55          3HB       ALA  55   1.186   4.685   8.352
  368    H    ALA  56           H        ALA  56   3.371   5.678   6.636
  369    HA   ALA  56           HA       ALA  56   2.177   8.242   6.085
  370   1HB   ALA  56          1HB       ALA  56   4.355   9.152   6.656
  371   2HB   ALA  56          2HB       ALA  56   3.833   7.970   7.858
  372   3HB   ALA  56          3HB       ALA  56   5.048   7.529   6.657
  373    H    TYR  57           H        TYR  57   3.107   5.919   4.027
  374    HA   TYR  57           HA       TYR  57   4.279   7.793   2.080
  375   1HB   TYR  57          2HB       TYR  57   4.607   4.859   2.492
  376    HD1  TYR  57           1HD      TYR  57   6.922   5.345   0.222
  377    HD2  TYR  57           2HD      TYR  57   5.898   6.982   4.009
  378    HE1  TYR  57           1HE      TYR  57   9.266   5.988   0.570
  379    HE2  TYR  57           2HE      TYR  57   8.239   7.628   4.371
  380    HH   TYR  57           HH       TYR  57  10.496   6.912   3.562
  381    H    VAL  58           H        VAL  58   1.512   5.925   2.801
  382    HA   VAL  58           HA       VAL  58   0.476   6.402   0.091
  383    HB   VAL  58           HB       VAL  58  -1.176   4.628   0.534
  384   1HG1  VAL  58          1HG1      VAL  58   0.417   2.718   0.480
  385   2HG1  VAL  58          2HG1      VAL  58   0.843   4.025  -0.629
  386   3HG1  VAL  58          3HG1      VAL  58   1.715   3.842   0.894
  387   1HG2  VAL  58          1HG2      VAL  58  -1.289   4.795   2.964
  388   2HG2  VAL  58          2HG2      VAL  58  -0.896   3.148   2.472
  389   3HG2  VAL  58          3HG2      VAL  58   0.369   4.207   3.095
  390    H    LYS  59           H        LYS  59  -1.802   6.977  -0.050
  391    HA   LYS  59           HA       LYS  59  -2.764   8.418   2.336
  392   1HB   LYS  59          2HB       LYS  59  -1.938   9.998   0.646
  393   1HG   LYS  59          2HG       LYS  59  -4.915   9.918   0.996
  394   1HD   LYS  59          2HD       LYS  59  -3.248  12.068  -0.303
  395   1HE   LYS  59          2HE       LYS  59  -4.917  13.062   1.146
  396   1HZ   LYS  59          1HZ       LYS  59  -6.910  11.441  -0.340
  397   2HZ   LYS  59          2HZ       LYS  59  -7.267  12.656   0.784
  398   3HZ   LYS  59          3HZ       LYS  59  -6.492  11.234   1.287
  399    H    LYS  60           H        LYS  60  -4.910   8.237   2.800
  400    HA   LYS  60           HA       LYS  60  -6.455   6.178   1.623
  401   1HB   LYS  60          2HB       LYS  60  -7.311   8.536   3.315
  402   1HG   LYS  60          2HG       LYS  60  -5.883   6.779   4.439
  403   1HD   LYS  60          2HD       LYS  60  -6.660   4.746   3.493
  404   1HE   LYS  60          2HE       LYS  60  -8.884   5.378   2.751
  405   1HZ   LYS  60          1HZ       LYS  60  -9.713   6.747   4.464
  406   2HZ   LYS  60          2HZ       LYS  60  -9.557   5.534   5.633
  407   3HZ   LYS  60          3HZ       LYS  60 -10.727   5.390   4.415
  408    H    LEU  61           H        LEU  61  -7.451   6.193  -0.284
  409    HA   LEU  61           HA       LEU  61  -8.276   8.719  -1.480
  410   1HB   LEU  61          2HB       LEU  61  -8.431   5.851  -2.410
  411    HG   LEU  61           HG       LEU  61  -6.170   7.112  -2.580
  412   1HD1  LEU  61          1HD1      LEU  61  -5.766   6.168  -4.800
  413   2HD1  LEU  61          2HD1      LEU  61  -6.694   5.057  -3.790
  414   3HD1  LEU  61          3HD1      LEU  61  -7.504   5.991  -5.046
  415   1HD2  LEU  61          1HD2      LEU  61  -7.745   8.516  -4.744
  416   2HD2  LEU  61          2HD2      LEU  61  -7.036   9.263  -3.315
  417   3HD2  LEU  61          3HD2      LEU  61  -5.992   8.568  -4.552
  418    H    ASP  62           H        ASP  62  -9.251   7.494   1.008
  419    HA   ASP  62           HA       ASP  62 -12.131   7.567   0.501
  420   1HB   ASP  62          2HB       ASP  62 -11.657   5.234   0.791
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -12.854  -2.446  -8.822
    2   2H    MET   1          2H        MET   1 -13.214  -2.904 -10.415
    3   3H    MET   1          3H        MET   1 -13.172  -1.258  -9.989
    4    HA   MET   1           HA       MET   1 -11.197  -1.818 -11.190
    5   1HB   MET   1          2HB       MET   1 -11.030  -0.158  -9.396
    6   1HG   MET   1          2HG       MET   1  -8.611  -1.948  -9.341
    7   1HE   MET   1          1HE       MET   1  -6.567   0.343 -10.150
    8   2HE   MET   1          2HE       MET   1  -5.994   0.858  -8.563
    9   3HE   MET   1          3HE       MET   1  -6.233  -0.855  -8.901
   10    H    ASP   2           H        ASP   2 -10.851  -3.448  -8.027
   11    HA   ASP   2           HA       ASP   2  -9.563  -5.689  -9.468
   12   1HB   ASP   2          2HB       ASP   2  -8.079  -6.014  -7.573
   13    H    GLU   3           H        GLU   3 -11.710  -4.664  -6.972
   14    HA   GLU   3           HA       GLU   3 -12.782  -7.357  -6.683
   15   1HB   GLU   3          2HB       GLU   3 -11.826  -5.744  -4.252
   16   1HG   GLU   3          2HG       GLU   3 -10.826  -8.328  -5.425
   17    H    THR   4           H        THR   4 -14.874  -7.108  -5.098
   18    HA   THR   4           HA       THR   4 -16.698  -5.433  -6.229
   19    HB   THR   4           HB       THR   4 -16.926  -5.944  -3.270
   20    HG1  THR   4           1HG      THR   4 -16.434  -7.974  -3.755
   21   1HG2  THR   4          1HG2      THR   4 -19.259  -6.348  -3.868
   22   2HG2  THR   4          2HG2      THR   4 -18.875  -6.121  -5.574
   23   3HG2  THR   4          3HG2      THR   4 -18.735  -4.768  -4.449
   24    H    GLY   5           H        GLY   5 -14.327  -4.527  -3.804
   25   1HA   GLY   5          1HA       GLY   5 -13.942  -1.987  -4.223
   26   2HA   GLY   5          2HA       GLY   5 -15.564  -1.877  -3.555
   27    H    LYS   6           H        LYS   6 -12.992  -0.824  -2.579
   28    HA   LYS   6           HA       LYS   6 -13.362  -1.449   0.167
   29   1HB   LYS   6          2HB       LYS   6 -11.378  -2.564   0.726
   30   1HG   LYS   6          2HG       LYS   6  -9.751  -1.291  -0.592
   31   1HD   LYS   6          2HD       LYS   6 -10.829  -1.295  -2.774
   32   1HE   LYS   6          2HE       LYS   6 -11.693  -3.674  -2.602
   33   1HZ   LYS   6          1HZ       LYS   6  -9.310  -4.525  -2.158
   34   2HZ   LYS   6          2HZ       LYS   6  -9.163  -4.513  -3.850
   35   3HZ   LYS   6          3HZ       LYS   6 -10.357  -5.452  -3.103
   36    H    GLU   7           H        GLU   7 -10.953  -0.516   1.180
   37    HA   GLU   7           HA       GLU   7 -11.412   2.222   1.122
   38   1HB   GLU   7          2HB       GLU   7  -8.765   0.936   1.773
   39   1HG   GLU   7          2HG       GLU   7  -9.596   1.281   4.176
   40    H    LEU   8           H        LEU   8  -8.958   0.371  -0.677
   41    HA   LEU   8           HA       LEU   8  -7.391   0.941  -2.208
   42   1HB   LEU   8          2HB       LEU   8  -9.451   3.048  -2.844
   43    HG   LEU   8           HG       LEU   8 -10.070   0.676  -3.386
   44   1HD1  LEU   8          1HD1      LEU   8  -9.651   2.530  -5.728
   45   2HD1  LEU   8          2HD1      LEU   8 -10.777   1.171  -5.668
   46   3HD1  LEU   8          3HD1      LEU   8 -11.016   2.563  -4.610
   47   1HD2  LEU   8          1HD2      LEU   8  -7.879  -0.214  -3.895
   48   2HD2  LEU   8          2HD2      LEU   8  -8.917  -0.365  -5.311
   49   3HD2  LEU   8          3HD2      LEU   8  -7.700   0.910  -5.243
   50    H    VAL   9           H        VAL   9  -5.495   2.086  -2.322
   51    HA   VAL   9           HA       VAL   9  -5.390   4.598  -0.798
   52    HB   VAL   9           HB       VAL   9  -2.977   3.912  -0.203
   53   1HG1  VAL   9          1HG1      VAL   9  -3.720   2.765   1.840
   54   2HG1  VAL   9          2HG1      VAL   9  -4.705   4.180   1.471
   55   3HG1  VAL   9          3HG1      VAL   9  -5.321   2.564   1.127
   56   1HG2  VAL   9          1HG2      VAL   9  -4.164   1.195  -0.745
   57   2HG2  VAL   9          2HG2      VAL   9  -2.828   1.949  -1.616
   58   3HG2  VAL   9          3HG2      VAL   9  -2.634   1.500   0.078
   59    H    LEU  10           H        LEU  10  -3.935   6.112  -1.458
   60    HA   LEU  10           HA       LEU  10  -3.005   5.790  -4.217
   61   1HB   LEU  10          2HB       LEU  10  -4.365   7.626  -4.238
   62    HG   LEU  10           HG       LEU  10  -1.705   8.770  -3.494
   63   1HD1  LEU  10          1HD1      LEU  10  -1.885   7.652  -5.647
   64   2HD1  LEU  10          2HD1      LEU  10  -3.253   8.681  -6.069
   65   3HD1  LEU  10          3HD1      LEU  10  -1.654   9.388  -5.848
   66   1HD2  LEU  10          1HD2      LEU  10  -2.555  10.965  -4.153
   67   2HD2  LEU  10          2HD2      LEU  10  -4.178  10.289  -4.303
   68   3HD2  LEU  10          3HD2      LEU  10  -3.391  10.350  -2.727
   69    H    ALA  11           H        ALA  11  -0.901   5.455  -4.500
   70    HA   ALA  11           HA       ALA  11   0.969   5.669  -2.352
   71   1HB   ALA  11          1HB       ALA  11   1.529   5.231  -5.287
   72   2HB   ALA  11          2HB       ALA  11   2.608   4.872  -3.939
   73   3HB   ALA  11          3HB       ALA  11   1.115   3.951  -4.146
   74    H    LEU  12           H        LEU  12   1.871   7.504  -1.679
   75    HA   LEU  12           HA       LEU  12   1.815   9.862  -3.378
   76   1HB   LEU  12          2HB       LEU  12   2.952   9.631  -0.593
   77    HG   LEU  12           HG       LEU  12   0.551   8.934  -0.557
   78   1HD1  LEU  12          1HD1      LEU  12  -0.114  10.506   1.186
   79   2HD1  LEU  12          2HD1      LEU  12   1.582  10.050   1.353
   80   3HD1  LEU  12          3HD1      LEU  12   1.153  11.621   0.675
   81   1HD2  LEU  12          1HD2      LEU  12  -1.157  10.612  -1.068
   82   2HD2  LEU  12          2HD2      LEU  12   0.094  11.712  -1.648
   83   3HD2  LEU  12          3HD2      LEU  12  -0.213  10.198  -2.499
   84    H    TYR  13           H        TYR  13   4.170   7.747  -1.851
   85    HA   TYR  13           HA       TYR  13   6.295   9.116  -3.360
   86   1HB   TYR  13          2HB       TYR  13   6.778   7.715  -0.733
   87    HD1  TYR  13           1HD      TYR  13   6.300   8.652   1.386
   88    HD2  TYR  13           2HD      TYR  13   5.930  11.075  -2.086
   89    HE1  TYR  13           1HE      TYR  13   5.325  10.436   2.748
   90    HE2  TYR  13           2HE      TYR  13   4.961  12.877  -0.724
   91    HH   TYR  13           HH       TYR  13   3.793  13.167   1.403
   92    H    ASP  14           H        ASP  14   7.937   7.760  -4.217
   93    HA   ASP  14           HA       ASP  14   6.945   5.146  -4.888
   94   1HB   ASP  14          2HB       ASP  14   8.986   4.985  -6.302
   95    H    TYR  15           H        TYR  15   7.765   3.196  -4.286
   96    HA   TYR  15           HA       TYR  15   9.611   3.285  -2.001
   97   1HB   TYR  15          2HB       TYR  15   7.217   3.337  -1.268
   98    HD1  TYR  15           1HD      TYR  15   9.207   3.398   0.487
   99    HD2  TYR  15           2HD      TYR  15   7.200  -0.120  -0.803
  100    HE1  TYR  15           1HE      TYR  15   9.908   2.249   2.537
  101    HE2  TYR  15           2HE      TYR  15   7.908  -1.283   1.227
  102    HH   TYR  15           HH       TYR  15   9.227   0.353   3.928
  103    H    GLN  16           H        GLN  16  11.086   1.730  -1.987
  104    HA   GLN  16           HA       GLN  16  10.615  -0.630  -3.689
  105   1HB   GLN  16          2HB       GLN  16  13.040   0.970  -3.173
  106   1HG   GLN  16          2HG       GLN  16  12.007   0.749  -5.430
  107   1HE2  GLN  16          1HE2      GLN  16  11.163  -1.806  -4.183
  108   2HE2  GLN  16          2HE2      GLN  16  11.278  -2.979  -5.453
  109    H    GLU  17           H        GLU  17  10.075  -2.352  -2.637
  110    HA   GLU  17           HA       GLU  17  10.058  -2.701   0.100
  111   1HB   GLU  17          2HB       GLU  17   9.544  -5.014  -0.353
  112   1HG   GLU  17          2HG       GLU  17  10.620  -4.503  -3.105
  113    H    LYS  18           H        LYS  18  11.479  -3.315   1.589
  114    HA   LYS  18           HA       LYS  18  14.190  -3.992   0.745
  115   1HB   LYS  18          2HB       LYS  18  13.090  -3.513   3.528
  116   1HG   LYS  18          2HG       LYS  18  14.673  -1.646   1.775
  117   1HD   LYS  18          2HD       LYS  18  13.409  -1.183   4.470
  118   1HE   LYS  18          2HE       LYS  18  13.583   0.790   2.996
  119   1HZ   LYS  18          1HZ       LYS  18  15.528   0.160   1.713
  120   2HZ   LYS  18          2HZ       LYS  18  16.499   0.229   3.098
  121   3HZ   LYS  18          3HZ       LYS  18  15.795   1.646   2.487
  122    H    SER  19           H        SER  19  11.374  -5.583   1.568
  123    HA   SER  19           HA       SER  19  12.756  -8.114   1.818
  124   1HB   SER  19          2HB       SER  19  11.632  -8.734   3.920
  125    HG   SER  19           HG       SER  19  10.733  -6.043   4.077
  126    HA   PRO  20           HA       PRO  20   9.248  -9.469  -0.562
  127   1HB   PRO  20          2HB       PRO  20   8.766 -11.958   0.521
  128   1HG   PRO  20          2HG       PRO  20  10.275 -11.873   2.274
  129   1HD   PRO  20          2HD       PRO  20  11.949 -10.270   2.384
  130    H    ALA  21           H        ALA  21   9.012  -9.027   2.806
  131    HA   ALA  21           HA       ALA  21   6.151  -9.515   2.919
  132   1HB   ALA  21          1HB       ALA  21   6.321  -8.756   5.242
  133   2HB   ALA  21          2HB       ALA  21   7.495 -10.025   4.887
  134   3HB   ALA  21          3HB       ALA  21   8.016  -8.342   4.981
  135    H    GLU  22           H        GLU  22   8.171  -7.145   1.832
  136    HA   GLU  22           HA       GLU  22   6.203  -4.990   2.200
  137   1HB   GLU  22          2HB       GLU  22   9.116  -4.993   1.401
  138   1HG   GLU  22          2HG       GLU  22   7.887  -3.340   3.548
  139    H    VAL  23           H        VAL  23   6.067  -3.545   0.118
  140    HA   VAL  23           HA       VAL  23   6.401  -5.248  -2.264
  141    HB   VAL  23           HB       VAL  23   4.326  -4.820  -3.172
  142   1HG1  VAL  23          1HG1      VAL  23   3.838  -4.957  -0.224
  143   2HG1  VAL  23          2HG1      VAL  23   2.646  -5.299  -1.476
  144   3HG1  VAL  23          3HG1      VAL  23   4.081  -6.312  -1.327
  145   1HG2  VAL  23          1HG2      VAL  23   3.940  -2.569  -1.228
  146   2HG2  VAL  23          2HG2      VAL  23   4.327  -2.403  -2.935
  147   3HG2  VAL  23          3HG2      VAL  23   2.778  -3.084  -2.444
  148    H    THR  24           H        THR  24   6.948  -4.284  -4.130
  149    HA   THR  24           HA       THR  24   8.023  -1.627  -4.098
  150    HB   THR  24           HB       THR  24   7.597  -3.485  -6.448
  151    HG1  THR  24           1HG      THR  24   8.860  -4.424  -4.711
  152   1HG2  THR  24          1HG2      THR  24   8.099  -1.155  -7.048
  153   2HG2  THR  24          2HG2      THR  24   9.432  -2.235  -7.463
  154   3HG2  THR  24          3HG2      THR  24   9.538  -1.212  -6.030
  155    H    MET  25           H        MET  25   6.945   0.217  -4.631
  156    HA   MET  25           HA       MET  25   4.599   0.018  -6.372
  157   1HB   MET  25          2HB       MET  25   3.187   1.296  -4.924
  158   1HG   MET  25          2HG       MET  25   5.483   1.460  -2.980
  159   1HE   MET  25          1HE       MET  25   4.436   4.310  -1.849
  160   2HE   MET  25          2HE       MET  25   3.619   3.780  -0.380
  161   3HE   MET  25          3HE       MET  25   5.169   3.073  -0.829
  162    H    LYS  26           H        LYS  26   4.017   1.917  -7.441
  163    HA   LYS  26           HA       LYS  26   6.121   3.971  -7.508
  164   1HB   LYS  26          2HB       LYS  26   5.925   2.794  -9.614
  165   1HG   LYS  26          2HG       LYS  26   5.109   4.558 -11.172
  166   1HD   LYS  26          2HD       LYS  26   6.757   6.288 -10.455
  167   1HE   LYS  26          2HE       LYS  26   8.720   4.834 -10.550
  168   1HZ   LYS  26          1HZ       LYS  26   6.559   3.771 -12.288
  169   2HZ   LYS  26          2HZ       LYS  26   8.218   3.711 -12.590
  170   3HZ   LYS  26          3HZ       LYS  26   7.412   5.202 -12.588
  171    H    LYS  27           H        LYS  27   5.575   6.008  -6.968
  172    HA   LYS  27           HA       LYS  27   3.077   6.611  -5.866
  173   1HB   LYS  27          2HB       LYS  27   3.841   8.776  -5.494
  174   1HG   LYS  27          2HG       LYS  27   4.414   9.192  -7.964
  175   1HD   LYS  27          2HD       LYS  27   6.929   7.990  -6.932
  176   1HE   LYS  27          2HE       LYS  27   7.000  10.009  -9.142
  177   1HZ   LYS  27          1HZ       LYS  27   9.350   9.946  -8.713
  178   2HZ   LYS  27          2HZ       LYS  27   8.796   8.359  -8.937
  179   3HZ   LYS  27          3HZ       LYS  27   9.127   8.925  -7.376
  180    H    GLY  28           H        GLY  28   1.383   7.879  -6.566
  181   1HA   GLY  28          1HA       GLY  28   0.056   8.924  -8.217
  182   2HA   GLY  28          2HA       GLY  28   1.200   8.393  -9.441
  183    H    ASP  29           H        ASP  29   0.902   5.720  -7.706
  184    HA   ASP  29           HA       ASP  29  -1.171   4.663  -9.487
  185   1HB   ASP  29          2HB       ASP  29   0.944   3.408  -9.335
  186    H    ILE  30           H        ILE  30  -2.597   3.027  -8.579
  187    HA   ILE  30           HA       ILE  30  -3.700   3.941  -5.985
  188    HB   ILE  30           HB       ILE  30  -5.282   2.847  -8.320
  189   1HG1  ILE  30          2HG1      ILE  30  -4.424   5.050  -8.901
  190   1HG2  ILE  30          1HG2      ILE  30  -6.180   4.089  -5.722
  191   2HG2  ILE  30          2HG2      ILE  30  -7.240   3.576  -7.037
  192   3HG2  ILE  30          3HG2      ILE  30  -6.286   2.381  -6.153
  193   1HD1  ILE  30          1HD1      ILE  30  -5.700   6.066  -6.378
  194   2HD1  ILE  30          2HD1      ILE  30  -3.967   5.944  -6.675
  195   3HD1  ILE  30          3HD1      ILE  30  -4.953   7.041  -7.641
  196    H    LEU  31           H        LEU  31  -3.181   2.377  -4.561
  197    HA   LEU  31           HA       LEU  31  -2.972  -0.367  -5.555
  198   1HB   LEU  31          2HB       LEU  31  -2.253   0.307  -2.758
  199    HG   LEU  31           HG       LEU  31  -0.996   2.099  -3.708
  200   1HD1  LEU  31          1HD1      LEU  31   0.143   0.569  -2.150
  201   2HD1  LEU  31          2HD1      LEU  31   0.761  -0.335  -3.536
  202   3HD1  LEU  31          3HD1      LEU  31   1.257   1.341  -3.284
  203   1HD2  LEU  31          1HD2      LEU  31   0.536   1.803  -5.583
  204   2HD2  LEU  31          2HD2      LEU  31  -0.055   0.158  -5.811
  205   3HD2  LEU  31          3HD2      LEU  31  -1.136   1.526  -6.076
  206    H    THR  32           H        THR  32  -3.809  -2.099  -4.294
  207    HA   THR  32           HA       THR  32  -6.435  -1.567  -3.237
  208    HB   THR  32           HB       THR  32  -4.860  -4.129  -3.555
  209    HG1  THR  32           1HG      THR  32  -6.927  -4.169  -5.108
  210   1HG2  THR  32          1HG2      THR  32  -6.481  -4.324  -1.730
  211   2HG2  THR  32          2HG2      THR  32  -6.960  -5.294  -3.125
  212   3HG2  THR  32          3HG2      THR  32  -7.753  -3.750  -2.809
  213    H    LEU  33           H        LEU  33  -6.929  -1.325  -1.103
  214    HA   LEU  33           HA       LEU  33  -4.811  -1.627   0.829
  215   1HB   LEU  33          2HB       LEU  33  -7.103   0.011   0.666
  216    HG   LEU  33           HG       LEU  33  -5.232   1.057   1.551
  217   1HD1  LEU  33          1HD1      LEU  33  -7.018   0.393   3.882
  218   2HD1  LEU  33          2HD1      LEU  33  -5.795   1.661   3.884
  219   3HD1  LEU  33          3HD1      LEU  33  -7.165   1.763   2.782
  220   1HD2  LEU  33          1HD2      LEU  33  -3.939   0.223   3.462
  221   2HD2  LEU  33          2HD2      LEU  33  -4.969  -1.208   3.522
  222   3HD2  LEU  33          3HD2      LEU  33  -3.945  -0.918   2.115
  223    H    LEU  34           H        LEU  34  -4.563  -3.229   2.196
  224    HA   LEU  34           HA       LEU  34  -6.624  -5.332   2.322
  225   1HB   LEU  34          2HB       LEU  34  -3.618  -5.477   2.553
  226    HG   LEU  34           HG       LEU  34  -4.389  -5.355   0.219
  227   1HD1  LEU  34          1HD1      LEU  34  -2.412  -6.682   0.794
  228   2HD1  LEU  34          2HD1      LEU  34  -3.435  -8.102   1.000
  229   3HD1  LEU  34          3HD1      LEU  34  -3.278  -7.353  -0.587
  230   1HD2  LEU  34          1HD2      LEU  34  -5.702  -7.254  -0.691
  231   2HD2  LEU  34          2HD2      LEU  34  -6.007  -7.783   0.964
  232   3HD2  LEU  34          3HD2      LEU  34  -6.616  -6.223   0.408
  233    H    ASN  35           H        ASN  35  -4.515  -3.242   4.123
  234    HA   ASN  35           HA       ASN  35  -5.930  -3.835   6.577
  235   1HB   ASN  35          2HB       ASN  35  -4.383  -5.419   7.122
  236   1HD2  ASN  35          1HD2      ASN  35  -1.927  -2.925   6.822
  237   2HD2  ASN  35          2HD2      ASN  35  -1.701  -2.712   8.521
  238    H    SER  36           H        SER  36  -6.126  -2.058   7.790
  239    HA   SER  36           HA       SER  36  -4.109   0.053   7.580
  240   1HB   SER  36          2HB       SER  36  -6.047   1.731   7.531
  241    HG   SER  36           HG       SER  36  -7.405  -0.581   6.567
  242    H    THR  37           H        THR  37  -5.533  -2.023   9.517
  243    HA   THR  37           HA       THR  37  -6.376  -0.330  11.677
  244    HB   THR  37           HB       THR  37  -7.389  -2.542  11.382
  245    HG1  THR  37           1HG      THR  37  -6.266  -1.647  13.698
  246   1HG2  THR  37          1HG2      THR  37  -4.675  -3.645  12.121
  247   2HG2  THR  37          2HG2      THR  37  -5.415  -3.730  10.522
  248   3HG2  THR  37          3HG2      THR  37  -6.148  -4.585  11.881
  249    H    ASN  38           H        ASN  38  -3.397  -1.427  10.508
  250    HA   ASN  38           HA       ASN  38  -2.016  -1.215  13.061
  251   1HB   ASN  38          2HB       ASN  38  -1.386  -2.938  11.317
  252   1HD2  ASN  38          1HD2      ASN  38   1.211  -2.674  10.338
  253   2HD2  ASN  38          2HD2      ASN  38   2.277  -2.481  11.696
  254    H    LYS  39           H        LYS  39  -0.644   0.484  13.608
  255    HA   LYS  39           HA       LYS  39  -1.346   2.970  12.330
  256   1HB   LYS  39          2HB       LYS  39  -0.469   4.054  14.200
  257   1HG   LYS  39          2HG       LYS  39   1.241   1.653  14.819
  258   1HD   LYS  39          2HD       LYS  39   0.753   4.252  16.241
  259   1HE   LYS  39          2HE       LYS  39   3.136   4.114  16.087
  260   1HZ   LYS  39          1HZ       LYS  39   4.295   2.114  16.961
  261   2HZ   LYS  39          2HZ       LYS  39   3.523   1.880  15.472
  262   3HZ   LYS  39          3HZ       LYS  39   2.819   1.279  16.898
  263    H    ASP  40           H        ASP  40   1.149   0.729  11.883
  264    HA   ASP  40           HA       ASP  40   2.892   2.824  10.753
  265   1HB   ASP  40          2HB       ASP  40   3.603   0.257  12.144
  266    H    TRP  41           H        TRP  41   2.661  -0.702  10.454
  267    HA   TRP  41           HA       TRP  41   3.262  -0.412   7.622
  268   1HB   TRP  41          2HB       TRP  41   3.299  -2.788   9.478
  269    HD1  TRP  41           HD       TRP  41   5.313  -1.977  10.938
  270    HE1  TRP  41           1HE      TRP  41   7.776  -1.412  10.433
  271    HE3  TRP  41           3HE      TRP  41   5.081  -1.859   5.831
  272    HZ2  TRP  41           2HZ      TRP  41   9.396  -0.972   8.167
  273    HZ3  TRP  41           3HZ      TRP  41   7.133  -1.359   4.570
  274    HH2  TRP  41           HH       TRP  41   9.245  -0.925   5.717
  275    H    TRP  42           H        TRP  42   1.590  -0.130   6.372
  276    HA   TRP  42           HA       TRP  42  -0.920  -1.512   6.885
  277   1HB   TRP  42          2HB       TRP  42  -0.063   0.546   4.862
  278    HD1  TRP  42           HD       TRP  42  -0.977   0.267   8.329
  279    HE1  TRP  42           1HE      TRP  42  -2.129   2.405   9.173
  280    HE3  TRP  42           3HE      TRP  42  -2.120   2.322   3.852
  281    HZ2  TRP  42           2HZ      TRP  42  -3.367   4.694   8.051
  282    HZ3  TRP  42           3HZ      TRP  42  -3.280   4.500   3.788
  283    HH2  TRP  42           HH       TRP  42  -3.890   5.662   5.854
  284    H    LYS  43           H        LYS  43  -1.939  -2.687   5.067
  285    HA   LYS  43           HA       LYS  43   0.118  -4.166   3.566
  286   1HB   LYS  43          2HB       LYS  43  -1.327  -5.373   5.401
  287   1HG   LYS  43          2HG       LYS  43  -1.131  -6.565   2.640
  288   1HD   LYS  43          2HD       LYS  43  -1.278  -7.857   5.367
  289   1HE   LYS  43          2HE       LYS  43  -1.620  -9.944   3.990
  290   1HZ   LYS  43          1HZ       LYS  43   0.523  -9.346   5.074
  291   2HZ   LYS  43          2HZ       LYS  43   1.051  -8.725   3.583
  292   3HZ   LYS  43          3HZ       LYS  43   0.672 -10.365   3.730
  293    H    VAL  44           H        VAL  44  -0.009  -3.991   1.454
  294    HA   VAL  44           HA       VAL  44  -2.563  -3.185   0.253
  295    HB   VAL  44           HB       VAL  44  -1.309  -1.690  -1.305
  296   1HG1  VAL  44          1HG1      VAL  44  -2.515  -0.721   0.546
  297   2HG1  VAL  44          2HG1      VAL  44  -1.157  -1.015   1.634
  298   3HG1  VAL  44          3HG1      VAL  44  -0.999   0.151   0.319
  299   1HG2  VAL  44          1HG2      VAL  44   0.961  -2.044   0.650
  300   2HG2  VAL  44          2HG2      VAL  44   0.900  -2.737  -0.972
  301   3HG2  VAL  44          3HG2      VAL  44   0.936  -0.985  -0.763
  302    H    GLU  45           H        GLU  45  -2.526  -3.489  -2.132
  303    HA   GLU  45           HA       GLU  45  -0.775  -5.698  -2.947
  304   1HB   GLU  45          2HB       GLU  45  -3.063  -6.532  -2.325
  305   1HG   GLU  45          2HG       GLU  45  -2.282  -6.787  -5.220
  306    H    VAL  46           H        VAL  46   0.360  -5.102  -4.609
  307    HA   VAL  46           HA       VAL  46  -0.835  -3.284  -6.605
  308    HB   VAL  46           HB       VAL  46   2.100  -3.419  -6.479
  309   1HG1  VAL  46          1HG1      VAL  46   1.709  -0.880  -6.649
  310   2HG1  VAL  46          2HG1      VAL  46   1.269  -1.900  -8.022
  311   3HG1  VAL  46          3HG1      VAL  46   0.026  -1.316  -6.919
  312   1HG2  VAL  46          1HG2      VAL  46   1.653  -3.423  -4.109
  313   2HG2  VAL  46          2HG2      VAL  46   2.290  -1.853  -4.600
  314   3HG2  VAL  46          3HG2      VAL  46   0.564  -2.045  -4.285
  315    H    ASN  47           H        ASN  47  -1.160  -4.316  -8.439
  316    HA   ASN  47           HA       ASN  47  -1.203  -5.906 -10.006
  317   1HB   ASN  47          2HB       ASN  47   1.014  -6.470 -11.099
  318   1HD2  ASN  47          1HD2      ASN  47   2.840  -7.214  -9.789
  319   2HD2  ASN  47          2HD2      ASN  47   3.964  -6.082  -9.068
  320    H    ASP  48           H        ASP  48   1.678  -7.182  -8.293
  321    HA   ASP  48           HA       ASP  48   0.109  -9.531  -7.604
  322   1HB   ASP  48          2HB       ASP  48   1.894 -11.053  -8.460
  323    H    ARG  49           H        ARG  49   1.629  -7.202  -6.341
  324    HA   ARG  49           HA       ARG  49   3.156  -8.862  -4.445
  325   1HB   ARG  49          2HB       ARG  49   3.603  -5.964  -5.186
  326   1HG   ARG  49          2HG       ARG  49   5.321  -8.394  -5.575
  327   1HD   ARG  49          2HD       ARG  49   6.011  -5.470  -5.747
  328    HE   ARG  49           HE       ARG  49   6.826  -6.535  -7.801
  329   1HH1  ARG  49          2HH1      ARG  49   8.458  -7.264  -4.796
  330   2HH1  ARG  49          1HH1      ARG  49   9.908  -7.827  -5.576
  331   1HH2  ARG  49          2HH2      ARG  49   8.739  -7.235  -8.826
  332   2HH2  ARG  49          1HH2      ARG  49  10.085  -7.767  -7.865
  333    H    GLN  50           H        GLN  50   1.408  -9.279  -3.075
  334    HA   GLN  50           HA       GLN  50   0.240  -7.015  -1.716
  335   1HB   GLN  50          2HB       GLN  50  -0.724  -9.003  -0.334
  336   1HG   GLN  50          2HG       GLN  50   0.646 -10.702  -1.579
  337   1HE2  GLN  50          1HE2      GLN  50  -2.483 -10.833  -3.098
  338   2HE2  GLN  50          2HE2      GLN  50  -1.899 -10.970  -4.720
  339    H    GLY  51           H        GLY  51   1.027  -6.230   0.115
  340   1HA   GLY  51          1HA       GLY  51   2.511  -7.704   2.028
  341   2HA   GLY  51          2HA       GLY  51   3.602  -6.867   0.927
  342    H    PHE  52           H        PHE  52   4.312  -5.673   2.818
  343    HA   PHE  52           HA       PHE  52   2.330  -3.775   3.832
  344   1HB   PHE  52          2HB       PHE  52   4.954  -4.742   4.946
  345    HD1  PHE  52           1HD      PHE  52   1.532  -3.804   6.134
  346    HD2  PHE  52           2HD      PHE  52   4.629  -6.724   6.031
  347    HE1  PHE  52           1HE      PHE  52   0.215  -5.243   7.619
  348    HE2  PHE  52           2HE      PHE  52   3.311  -8.166   7.526
  349    HZ   PHE  52           HZ       PHE  52   1.104  -7.416   8.328
  350    H    VAL  53           H        VAL  53   2.693  -1.636   3.990
  351    HA   VAL  53           HA       VAL  53   5.184  -0.474   2.949
  352    HB   VAL  53           HB       VAL  53   3.898   1.368   1.878
  353   1HG1  VAL  53          1HG1      VAL  53   3.338  -1.371   0.785
  354   2HG1  VAL  53          2HG1      VAL  53   3.228   0.136  -0.130
  355   3HG1  VAL  53          3HG1      VAL  53   4.787  -0.403   0.501
  356   1HG2  VAL  53          1HG2      VAL  53   1.523   1.005   1.332
  357   2HG2  VAL  53          2HG2      VAL  53   1.522  -0.420   2.372
  358   3HG2  VAL  53          3HG2      VAL  53   1.804   1.178   3.064
  359    HA   PRO  54           HA       PRO  54   4.721   2.179   6.536
  360   1HB   PRO  54          2HB       PRO  54   5.725   4.522   5.534
  361   1HG   PRO  54          2HG       PRO  54   5.962   3.924   3.312
  362   1HD   PRO  54          2HD       PRO  54   5.792   1.738   2.615
  363    H    ALA  55           H        ALA  55   2.935   3.140   7.249
  364    HA   ALA  55           HA       ALA  55   0.762   3.835   5.672
  365   1HB   ALA  55          1HB       ALA  55   1.402   4.863   8.432
  366   2HB   ALA  55          2HB       ALA  55  -0.187   4.834   7.671
  367   3HB   ALA  55          3HB       ALA  55   0.626   3.321   8.068
  368    H    ALA  56           H        ALA  56   3.483   5.775   6.652
  369    HA   ALA  56           HA       ALA  56   2.251   8.291   6.033
  370   1HB   ALA  56          1HB       ALA  56   5.150   7.643   6.536
  371   2HB   ALA  56          2HB       ALA  56   4.420   9.249   6.532
  372   3HB   ALA  56          3HB       ALA  56   3.967   8.077   7.770
  373    H    TYR  57           H        TYR  57   3.189   5.907   4.027
  374    HA   TYR  57           HA       TYR  57   4.313   7.748   2.024
  375   1HB   TYR  57          2HB       TYR  57   4.739   4.843   2.532
  376    HD1  TYR  57           1HD      TYR  57   7.035   5.102   0.337
  377    HD2  TYR  57           2HD      TYR  57   5.970   7.281   3.832
  378    HE1  TYR  57           1HE      TYR  57   9.362   5.855   0.568
  379    HE2  TYR  57           2HE      TYR  57   8.293   8.041   4.072
  380    HH   TYR  57           HH       TYR  57  10.526   7.412   3.386
  381    H    VAL  58           H        VAL  58   1.579   5.844   2.789
  382    HA   VAL  58           HA       VAL  58   0.500   6.355   0.102
  383    HB   VAL  58           HB       VAL  58  -1.050   4.468   0.474
  384   1HG1  VAL  58          1HG1      VAL  58   1.870   3.789   0.747
  385   2HG1  VAL  58          2HG1      VAL  58   0.615   2.682   0.188
  386   3HG1  VAL  58          3HG1      VAL  58   1.013   4.118  -0.760
  387   1HG2  VAL  58          1HG2      VAL  58  -0.640   2.893   2.296
  388   2HG2  VAL  58          2HG2      VAL  58   0.619   3.949   2.936
  389   3HG2  VAL  58          3HG2      VAL  58  -1.062   4.486   2.924
  390    H    LYS  59           H        LYS  59  -1.715   6.955  -0.033
  391    HA   LYS  59           HA       LYS  59  -2.687   8.290   2.406
  392   1HB   LYS  59          2HB       LYS  59  -1.935   9.880   0.737
  393   1HG   LYS  59          2HG       LYS  59  -3.867  11.223   0.411
  394   1HD   LYS  59          2HD       LYS  59  -4.178   9.703   2.989
  395   1HE   LYS  59          2HE       LYS  59  -6.040  11.255   2.392
  396   1HZ   LYS  59          1HZ       LYS  59  -4.793  12.908   1.173
  397   2HZ   LYS  59          2HZ       LYS  59  -3.902  13.311   2.557
  398   3HZ   LYS  59          3HZ       LYS  59  -5.570  13.630   2.495
  399    H    LYS  60           H        LYS  60  -4.754   8.009   3.002
  400    HA   LYS  60           HA       LYS  60  -6.299   5.878   1.948
  401   1HB   LYS  60          2HB       LYS  60  -7.153   8.155   3.752
  402   1HG   LYS  60          2HG       LYS  60  -5.359   6.568   4.652
  403   1HD   LYS  60          2HD       LYS  60  -6.263   4.463   3.877
  404   1HE   LYS  60          2HE       LYS  60  -8.700   5.370   5.355
  405   1HZ   LYS  60          1HZ       LYS  60  -8.071   3.292   6.426
  406   2HZ   LYS  60          2HZ       LYS  60  -8.032   2.515   4.922
  407   3HZ   LYS  60          3HZ       LYS  60  -9.497   3.120   5.522
  408    H    LEU  61           H        LEU  61  -7.267   5.969  -0.000
  409    HA   LEU  61           HA       LEU  61  -8.401   8.472  -0.950
  410   1HB   LEU  61          2HB       LEU  61  -8.289   5.695  -2.121
  411    HG   LEU  61           HG       LEU  61  -6.170   7.101  -2.290
  412   1HD1  LEU  61          1HD1      LEU  61  -5.860   6.561  -4.659
  413   2HD1  LEU  61          2HD1      LEU  61  -6.655   5.243  -3.798
  414   3HD1  LEU  61          3HD1      LEU  61  -7.598   6.315  -4.833
  415   1HD2  LEU  61          1HD2      LEU  61  -7.102   9.290  -2.600
  416   2HD2  LEU  61          2HD2      LEU  61  -6.240   8.845  -4.067
  417   3HD2  LEU  61          3HD2      LEU  61  -8.000   8.762  -4.022
  418    H    ASP  62           H        ASP  62  -9.256   6.562   1.346
  419    HA   ASP  62           HA       ASP  62 -12.097   6.332   0.691
  420   1HB   ASP  62          2HB       ASP  62 -11.029   4.303   1.561
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -14.697  -4.083  -1.215
    2   2H    MET   1          2H        MET   1 -16.240  -4.337  -1.861
    3   3H    MET   1          3H        MET   1 -14.876  -4.482  -2.853
    4    HA   MET   1           HA       MET   1 -15.452  -6.176  -0.513
    5   1HB   MET   1          2HB       MET   1 -16.051  -7.959  -2.114
    6   1HG   MET   1          2HG       MET   1 -14.967  -7.173  -4.149
    7   1HE   MET   1          1HE       MET   1 -16.112  -4.531  -6.859
    8   2HE   MET   1          2HE       MET   1 -15.053  -5.902  -6.530
    9   3HE   MET   1          3HE       MET   1 -16.796  -6.143  -6.644
   10    H    ASP   2           H        ASP   2 -13.933  -7.168  -3.581
   11    HA   ASP   2           HA       ASP   2 -11.625  -7.906  -1.899
   12   1HB   ASP   2          2HB       ASP   2 -11.214  -9.795  -3.365
   13    H    GLU   3           H        GLU   3 -12.420  -7.001  -5.262
   14    HA   GLU   3           HA       GLU   3  -9.947  -5.452  -5.332
   15   1HB   GLU   3          2HB       GLU   3  -9.567  -7.855  -6.193
   16   1HG   GLU   3          2HG       GLU   3  -8.281  -5.656  -6.945
   17    H    THR   4           H        THR   4  -9.942  -4.063  -7.414
   18    HA   THR   4           HA       THR   4 -10.967  -2.559  -8.851
   19    HB   THR   4           HB       THR   4 -13.418  -4.331  -8.679
   20    HG1  THR   4           1HG      THR   4 -10.984  -4.855  -9.665
   21   1HG2  THR   4          1HG2      THR   4 -13.848  -2.130  -9.659
   22   2HG2  THR   4          2HG2      THR   4 -13.913  -3.390 -10.891
   23   3HG2  THR   4          3HG2      THR   4 -12.493  -2.352 -10.766
   24    H    GLY   5           H        GLY   5 -12.733  -3.430  -5.905
   25   1HA   GLY   5          1HA       GLY   5 -13.466  -0.609  -5.647
   26   2HA   GLY   5          2HA       GLY   5 -14.759  -1.797  -5.597
   27    H    LYS   6           H        LYS   6 -13.024   0.108  -3.727
   28    HA   LYS   6           HA       LYS   6 -13.967  -0.777  -1.323
   29   1HB   LYS   6          2HB       LYS   6 -12.093  -1.795  -0.171
   30   1HG   LYS   6          2HG       LYS   6 -10.609  -2.155  -2.744
   31   1HD   LYS   6          2HD       LYS   6  -8.843  -2.858  -1.383
   32   1HE   LYS   6          2HE       LYS   6  -9.724  -4.551   0.126
   33   1HZ   LYS   6          1HZ       LYS   6  -9.923  -5.131  -2.156
   34   2HZ   LYS   6          2HZ       LYS   6 -11.337  -4.222  -2.329
   35   3HZ   LYS   6          3HZ       LYS   6 -11.345  -5.616  -1.370
   36    H    GLU   7           H        GLU   7 -11.860  -0.119   0.411
   37    HA   GLU   7           HA       GLU   7 -11.980   2.657   0.510
   38   1HB   GLU   7          2HB       GLU   7 -10.160   0.661   1.813
   39   1HG   GLU   7          2HG       GLU   7 -11.998   2.728   2.978
   40    H    LEU   8           H        LEU   8  -9.283   0.624  -0.616
   41    HA   LEU   8           HA       LEU   8  -7.566   0.994  -2.041
   42   1HB   LEU   8          2HB       LEU   8  -9.272   3.331  -2.900
   43    HG   LEU   8           HG       LEU   8 -10.187   1.046  -3.444
   44   1HD1  LEU   8          1HD1      LEU   8 -10.664   1.602  -5.767
   45   2HD1  LEU   8          2HD1      LEU   8 -10.743   3.043  -4.753
   46   3HD1  LEU   8          3HD1      LEU   8  -9.334   2.760  -5.778
   47   1HD2  LEU   8          1HD2      LEU   8  -9.070  -0.208  -5.232
   48   2HD2  LEU   8          2HD2      LEU   8  -7.712   0.918  -5.170
   49   3HD2  LEU   8          3HD2      LEU   8  -8.068  -0.115  -3.783
   50    H    VAL   9           H        VAL   9  -5.621   2.137  -2.238
   51    HA   VAL   9           HA       VAL   9  -5.378   4.608  -0.670
   52    HB   VAL   9           HB       VAL   9  -3.014   3.818  -0.052
   53   1HG1  VAL   9          1HG1      VAL   9  -5.403   2.503   1.235
   54   2HG1  VAL   9          2HG1      VAL   9  -3.807   2.678   1.968
   55   3HG1  VAL   9          3HG1      VAL   9  -4.769   4.109   1.597
   56   1HG2  VAL   9          1HG2      VAL   9  -2.922   1.871  -1.507
   57   2HG2  VAL   9          2HG2      VAL   9  -2.734   1.395   0.183
   58   3HG2  VAL   9          3HG2      VAL   9  -4.274   1.143  -0.638
   59    H    LEU  10           H        LEU  10  -3.828   6.049  -1.386
   60    HA   LEU  10           HA       LEU  10  -2.965   5.560  -4.149
   61   1HB   LEU  10          2HB       LEU  10  -4.301   7.412  -4.277
   62    HG   LEU  10           HG       LEU  10  -1.606   8.543  -3.649
   63   1HD1  LEU  10          1HD1      LEU  10  -1.598   9.006  -6.055
   64   2HD1  LEU  10          2HD1      LEU  10  -1.793   7.288  -5.708
   65   3HD1  LEU  10          3HD1      LEU  10  -3.187   8.253  -6.193
   66   1HD2  LEU  10          1HD2      LEU  10  -3.229  10.219  -2.990
   67   2HD2  LEU  10          2HD2      LEU  10  -2.416  10.698  -4.480
   68   3HD2  LEU  10          3HD2      LEU  10  -4.056  10.052  -4.540
   69    H    ALA  11           H        ALA  11  -0.851   5.363  -4.544
   70    HA   ALA  11           HA       ALA  11   1.051   5.596  -2.424
   71   1HB   ALA  11          1HB       ALA  11   1.495   5.149  -5.375
   72   2HB   ALA  11          2HB       ALA  11   2.698   4.931  -4.102
   73   3HB   ALA  11          3HB       ALA  11   1.276   3.890  -4.159
   74    H    LEU  12           H        LEU  12   1.810   7.477  -1.724
   75    HA   LEU  12           HA       LEU  12   1.705   9.846  -3.377
   76   1HB   LEU  12          2HB       LEU  12   2.908   9.495  -0.624
   77    HG   LEU  12           HG       LEU  12   0.488   8.975  -0.553
   78   1HD1  LEU  12          1HD1      LEU  12  -0.098  10.600   1.164
   79   2HD1  LEU  12          2HD1      LEU  12   1.573  10.067   1.337
   80   3HD1  LEU  12          3HD1      LEU  12   1.220  11.646   0.638
   81   1HD2  LEU  12          1HD2      LEU  12   0.167  11.750  -1.700
   82   2HD2  LEU  12          2HD2      LEU  12  -0.236  10.233  -2.506
   83   3HD2  LEU  12          3HD2      LEU  12  -1.138  10.737  -1.077
   84    H    TYR  13           H        TYR  13   4.156   7.751  -1.990
   85    HA   TYR  13           HA       TYR  13   6.176   9.139  -3.607
   86   1HB   TYR  13          2HB       TYR  13   6.858   7.877  -0.964
   87    HD1  TYR  13           1HD      TYR  13   5.941   8.610   1.044
   88    HD2  TYR  13           2HD      TYR  13   6.126  11.305  -2.226
   89    HE1  TYR  13           1HE      TYR  13   4.866  10.336   2.420
   90    HE2  TYR  13           2HE      TYR  13   5.056  13.050  -0.866
   91    HH   TYR  13           HH       TYR  13   3.739  13.323   1.074
   92    H    ASP  14           H        ASP  14   7.793   7.789  -4.497
   93    HA   ASP  14           HA       ASP  14   7.090   5.119  -5.073
   94   1HB   ASP  14          2HB       ASP  14   9.929   6.101  -5.165
   95    H    TYR  15           H        TYR  15   7.837   3.168  -4.201
   96    HA   TYR  15           HA       TYR  15   9.545   3.369  -1.830
   97   1HB   TYR  15          2HB       TYR  15   7.166   3.375  -1.083
   98    HD1  TYR  15           1HD      TYR  15   9.226   3.484   0.595
   99    HD2  TYR  15           2HD      TYR  15   7.198  -0.083  -0.523
  100    HE1  TYR  15           1HE      TYR  15  10.020   2.402   2.639
  101    HE2  TYR  15           2HE      TYR  15   8.000  -1.183   1.522
  102    HH   TYR  15           HH       TYR  15   9.828  -0.962   3.153
  103    H    GLN  16           H        GLN  16  11.018   1.836  -1.700
  104    HA   GLN  16           HA       GLN  16  10.790  -0.467  -3.506
  105   1HB   GLN  16          2HB       GLN  16  12.727   0.935  -3.961
  106   1HG   GLN  16          2HG       GLN  16  14.529  -0.582  -3.843
  107   1HE2  GLN  16          1HE2      GLN  16  12.230  -2.946  -2.850
  108   2HE2  GLN  16          2HE2      GLN  16  11.786  -3.498  -4.435
  109    H    GLU  17           H        GLU  17  10.140  -2.246  -2.522
  110    HA   GLU  17           HA       GLU  17  10.049  -2.654   0.229
  111   1HB   GLU  17          2HB       GLU  17   9.499  -4.953  -0.260
  112   1HG   GLU  17          2HG       GLU  17  10.707  -4.433  -2.949
  113    H    LYS  18           H        LYS  18  11.416  -3.390   1.700
  114    HA   LYS  18           HA       LYS  18  14.158  -3.970   0.823
  115   1HB   LYS  18          2HB       LYS  18  13.155  -3.278   3.595
  116   1HG   LYS  18          2HG       LYS  18  14.403  -1.371   1.641
  117   1HD   LYS  18          2HD       LYS  18  13.010  -1.027   4.284
  118   1HE   LYS  18          2HE       LYS  18  12.325   0.692   2.643
  119   1HZ   LYS  18          1HZ       LYS  18  13.885   2.182   1.721
  120   2HZ   LYS  18          2HZ       LYS  18  14.462   0.629   1.359
  121   3HZ   LYS  18          3HZ       LYS  18  15.166   1.525   2.616
  122    H    SER  19           H        SER  19  11.512  -5.646   1.411
  123    HA   SER  19           HA       SER  19  12.887  -8.070   2.033
  124   1HB   SER  19          2HB       SER  19  11.700  -8.581   4.117
  125    HG   SER  19           HG       SER  19  10.718  -5.925   4.138
  126    HA   PRO  20           HA       PRO  20   9.433  -9.575  -0.341
  127   1HB   PRO  20          2HB       PRO  20   9.138 -12.104   0.655
  128   1HG   PRO  20          2HG       PRO  20  10.532 -11.925   2.504
  129   1HD   PRO  20          2HD       PRO  20  12.084 -10.220   2.711
  130    H    ALA  21           H        ALA  21   9.135  -8.720   2.797
  131    HA   ALA  21           HA       ALA  21   6.328  -9.559   2.985
  132   1HB   ALA  21          1HB       ALA  21   7.658 -10.027   4.969
  133   2HB   ALA  21          2HB       ALA  21   8.117  -8.329   5.082
  134   3HB   ALA  21          3HB       ALA  21   6.436  -8.804   5.319
  135    H    GLU  22           H        GLU  22   8.229  -7.077   1.910
  136    HA   GLU  22           HA       GLU  22   6.233  -4.987   2.447
  137   1HB   GLU  22          2HB       GLU  22   9.106  -4.885   1.523
  138   1HG   GLU  22          2HG       GLU  22   7.923  -3.358   3.791
  139    H    VAL  23           H        VAL  23   6.358  -3.340   0.396
  140    HA   VAL  23           HA       VAL  23   6.219  -4.927  -2.062
  141    HB   VAL  23           HB       VAL  23   4.000  -3.253  -0.924
  142   1HG1  VAL  23          1HG1      VAL  23   2.945  -2.999  -3.034
  143   2HG1  VAL  23          2HG1      VAL  23   4.560  -2.298  -3.130
  144   3HG1  VAL  23          3HG1      VAL  23   4.238  -3.878  -3.851
  145   1HG2  VAL  23          1HG2      VAL  23   2.601  -5.077  -1.597
  146   2HG2  VAL  23          2HG2      VAL  23   3.932  -5.846  -2.460
  147   3HG2  VAL  23          3HG2      VAL  23   3.972  -5.723  -0.698
  148    H    THR  24           H        THR  24   7.061  -3.994  -3.815
  149    HA   THR  24           HA       THR  24   8.095  -1.291  -3.699
  150    HB   THR  24           HB       THR  24   8.038  -3.224  -6.032
  151    HG1  THR  24           1HG      THR  24   9.242  -4.104  -4.338
  152   1HG2  THR  24          1HG2      THR  24   9.831  -1.852  -6.954
  153   2HG2  THR  24          2HG2      THR  24   9.746  -0.775  -5.561
  154   3HG2  THR  24          3HG2      THR  24   8.389  -0.874  -6.682
  155    H    MET  25           H        MET  25   7.054   0.474  -4.454
  156    HA   MET  25           HA       MET  25   4.804   0.099  -6.289
  157   1HB   MET  25          2HB       MET  25   3.309   1.456  -4.965
  158   1HG   MET  25          2HG       MET  25   5.496   1.616  -2.901
  159   1HE   MET  25          1HE       MET  25   3.552   3.837  -0.328
  160   2HE   MET  25          2HE       MET  25   5.098   3.105  -0.737
  161   3HE   MET  25          3HE       MET  25   4.447   4.406  -1.733
  162    H    LYS  26           H        LYS  26   4.342   1.827  -7.583
  163    HA   LYS  26           HA       LYS  26   6.320   4.010  -7.600
  164   1HB   LYS  26          2HB       LYS  26   6.246   2.692  -9.644
  165   1HG   LYS  26          2HG       LYS  26   5.601   4.286 -11.357
  166   1HD   LYS  26          2HD       LYS  26   7.002   6.147 -10.695
  167   1HE   LYS  26          2HE       LYS  26   7.986   3.537  -9.551
  168   1HZ   LYS  26          1HZ       LYS  26   9.252   5.574  -8.883
  169   2HZ   LYS  26          2HZ       LYS  26   9.616   5.811 -10.524
  170   3HZ   LYS  26          3HZ       LYS  26  10.154   4.412  -9.730
  171    H    LYS  27           H        LYS  27   5.638   6.073  -7.225
  172    HA   LYS  27           HA       LYS  27   3.094   6.467  -6.102
  173   1HB   LYS  27          2HB       LYS  27   3.703   8.643  -5.657
  174   1HG   LYS  27          2HG       LYS  27   4.066   9.247  -8.113
  175   1HD   LYS  27          2HD       LYS  27   6.830   8.414  -7.299
  176   1HE   LYS  27          2HE       LYS  27   6.105  10.240  -9.583
  177   1HZ   LYS  27          1HZ       LYS  27   8.568  10.457  -9.698
  178   2HZ   LYS  27          2HZ       LYS  27   7.986   8.921 -10.128
  179   3HZ   LYS  27          3HZ       LYS  27   8.691   9.165  -8.604
  180    H    GLY  28           H        GLY  28   1.313   7.606  -6.807
  181   1HA   GLY  28          1HA       GLY  28  -0.012   8.646  -8.493
  182   2HA   GLY  28          2HA       GLY  28   1.108   8.043  -9.707
  183    H    ASP  29           H        ASP  29   0.985   5.393  -8.087
  184    HA   ASP  29           HA       ASP  29  -1.224   4.295  -9.607
  185   1HB   ASP  29          2HB       ASP  29   0.985   3.111  -7.968
  186    H    ILE  30           H        ILE  30  -2.913   3.035  -8.693
  187    HA   ILE  30           HA       ILE  30  -3.645   3.855  -5.954
  188    HB   ILE  30           HB       ILE  30  -5.365   3.100  -8.327
  189   1HG1  ILE  30          2HG1      ILE  30  -6.630   5.083  -7.841
  190   1HG2  ILE  30          1HG2      ILE  30  -7.305   2.925  -6.833
  191   2HG2  ILE  30          2HG2      ILE  30  -6.108   1.664  -6.539
  192   3HG2  ILE  30          3HG2      ILE  30  -6.223   3.044  -5.445
  193   1HD1  ILE  30          1HD1      ILE  30  -5.098   6.940  -7.913
  194   2HD1  ILE  30          2HD1      ILE  30  -3.758   5.874  -7.503
  195   3HD1  ILE  30          3HD1      ILE  30  -4.616   5.674  -9.036
  196    H    LEU  31           H        LEU  31  -3.534   2.310  -4.441
  197    HA   LEU  31           HA       LEU  31  -3.156  -0.448  -5.387
  198   1HB   LEU  31          2HB       LEU  31  -2.505   0.253  -2.590
  199    HG   LEU  31           HG       LEU  31  -1.377   2.147  -3.557
  200   1HD1  LEU  31          1HD1      LEU  31  -0.211   0.767  -1.874
  201   2HD1  LEU  31          2HD1      LEU  31   0.588  -0.099  -3.189
  202   3HD1  LEU  31          3HD1      LEU  31   0.889   1.625  -2.955
  203   1HD2  LEU  31          1HD2      LEU  31  -1.343   1.478  -5.892
  204   2HD2  LEU  31          2HD2      LEU  31   0.283   1.888  -5.344
  205   3HD2  LEU  31          3HD2      LEU  31  -0.189   0.199  -5.527
  206    H    THR  32           H        THR  32  -4.057  -2.153  -4.127
  207    HA   THR  32           HA       THR  32  -6.690  -1.532  -3.109
  208    HB   THR  32           HB       THR  32  -5.244  -4.181  -3.403
  209    HG1  THR  32           1HG      THR  32  -5.874  -3.993  -5.404
  210   1HG2  THR  32          1HG2      THR  32  -6.981  -4.213  -1.637
  211   2HG2  THR  32          2HG2      THR  32  -7.381  -5.239  -3.014
  212   3HG2  THR  32          3HG2      THR  32  -8.161  -3.669  -2.832
  213    H    LEU  33           H        LEU  33  -7.159  -1.234  -0.999
  214    HA   LEU  33           HA       LEU  33  -5.069  -1.469   0.955
  215   1HB   LEU  33          2HB       LEU  33  -7.401   0.077   0.754
  216    HG   LEU  33           HG       LEU  33  -5.609   1.156   1.760
  217   1HD1  LEU  33          1HD1      LEU  33  -7.576   1.862   2.867
  218   2HD1  LEU  33          2HD1      LEU  33  -7.572   0.439   3.914
  219   3HD1  LEU  33          3HD1      LEU  33  -6.321   1.668   4.098
  220   1HD2  LEU  33          1HD2      LEU  33  -4.285   0.373   3.558
  221   2HD2  LEU  33          2HD2      LEU  33  -5.416  -0.936   3.910
  222   3HD2  LEU  33          3HD2      LEU  33  -4.449  -0.977   2.429
  223    H    LEU  34           H        LEU  34  -4.669  -3.169   2.144
  224    HA   LEU  34           HA       LEU  34  -6.718  -5.263   2.395
  225   1HB   LEU  34          2HB       LEU  34  -3.711  -5.404   2.553
  226    HG   LEU  34           HG       LEU  34  -4.509  -5.202   0.230
  227   1HD1  LEU  34          1HD1      LEU  34  -3.553  -7.972   0.911
  228   2HD1  LEU  34          2HD1      LEU  34  -3.396  -7.160  -0.645
  229   3HD1  LEU  34          3HD1      LEU  34  -2.527  -6.544   0.761
  230   1HD2  LEU  34          1HD2      LEU  34  -6.742  -6.113   0.467
  231   2HD2  LEU  34          2HD2      LEU  34  -5.843  -7.013  -0.753
  232   3HD2  LEU  34          3HD2      LEU  34  -6.077  -7.700   0.855
  233    H    ASN  35           H        ASN  35  -4.441  -3.253   4.100
  234    HA   ASN  35           HA       ASN  35  -5.867  -3.666   6.576
  235   1HB   ASN  35          2HB       ASN  35  -4.430  -5.327   7.193
  236   1HD2  ASN  35          1HD2      ASN  35  -1.805  -3.046   6.718
  237   2HD2  ASN  35          2HD2      ASN  35  -1.522  -2.767   8.403
  238    H    SER  36           H        SER  36  -5.876  -1.877   7.779
  239    HA   SER  36           HA       SER  36  -3.701   0.037   7.526
  240   1HB   SER  36          2HB       SER  36  -6.497   0.592   6.710
  241    HG   SER  36           HG       SER  36  -4.081   0.718   5.645
  242    H    THR  37           H        THR  37  -5.244  -1.868   9.466
  243    HA   THR  37           HA       THR  37  -5.873  -0.062  11.633
  244    HB   THR  37           HB       THR  37  -7.213  -2.080  11.404
  245    HG1  THR  37           1HG      THR  37  -5.715  -1.538  13.667
  246   1HG2  THR  37          1HG2      THR  37  -5.565  -3.567  10.394
  247   2HG2  THR  37          2HG2      THR  37  -6.242  -4.307  11.846
  248   3HG2  THR  37          3HG2      THR  37  -4.634  -3.582  11.892
  249    H    ASN  38           H        ASN  38  -3.097  -1.453  10.378
  250    HA   ASN  38           HA       ASN  38  -1.636  -1.372  12.923
  251   1HB   ASN  38          2HB       ASN  38  -1.392  -3.257  11.133
  252   1HD2  ASN  38          1HD2      ASN  38   1.438  -3.236  10.371
  253   2HD2  ASN  38          2HD2      ASN  38   2.312  -3.418  11.857
  254    H    LYS  39           H        LYS  39  -0.884   0.644  13.443
  255    HA   LYS  39           HA       LYS  39  -1.068   2.740  11.552
  256   1HB   LYS  39          2HB       LYS  39  -0.457   4.223  13.273
  257   1HG   LYS  39          2HG       LYS  39   0.716   1.985  14.901
  258   1HD   LYS  39          2HD       LYS  39   0.572   4.970  15.216
  259   1HE   LYS  39          2HE       LYS  39   2.183   3.000  16.830
  260   1HZ   LYS  39          1HZ       LYS  39   1.394   4.761  18.205
  261   2HZ   LYS  39          2HZ       LYS  39   1.829   5.937  17.065
  262   3HZ   LYS  39          3HZ       LYS  39   3.030   5.055  17.873
  263    H    ASP  40           H        ASP  40   1.485   0.561  12.197
  264    HA   ASP  40           HA       ASP  40   3.540   2.357  11.160
  265   1HB   ASP  40          2HB       ASP  40   3.592  -0.422  12.310
  266    H    TRP  41           H        TRP  41   2.460  -0.929  10.407
  267    HA   TRP  41           HA       TRP  41   3.268  -0.461   7.622
  268   1HB   TRP  41          2HB       TRP  41   3.260  -2.978   9.283
  269    HD1  TRP  41           HD       TRP  41   5.296  -2.365  10.802
  270    HE1  TRP  41           1HE      TRP  41   7.779  -1.889  10.335
  271    HE3  TRP  41           3HE      TRP  41   5.085  -1.850   5.716
  272    HZ2  TRP  41           2HZ      TRP  41   9.431  -1.373   8.109
  273    HZ3  TRP  41           3HZ      TRP  41   7.164  -1.367   4.497
  274    HH2  TRP  41           HH       TRP  41   9.291  -1.132   5.674
  275    H    TRP  42           H        TRP  42   1.562  -0.159   6.350
  276    HA   TRP  42           HA       TRP  42  -0.942  -1.550   6.882
  277   1HB   TRP  42          2HB       TRP  42  -0.120   0.469   4.797
  278    HD1  TRP  42           HD       TRP  42  -1.146   0.212   8.275
  279    HE1  TRP  42           1HE      TRP  42  -2.226   2.402   9.081
  280    HE3  TRP  42           3HE      TRP  42  -2.065   2.271   3.771
  281    HZ2  TRP  42           2HZ      TRP  42  -3.344   4.721   7.911
  282    HZ3  TRP  42           3HZ      TRP  42  -3.163   4.490   3.656
  283    HH2  TRP  42           HH       TRP  42  -3.780   5.682   5.696
  284    H    LYS  43           H        LYS  43  -1.972  -2.733   5.054
  285    HA   LYS  43           HA       LYS  43   0.069  -4.248   3.560
  286   1HB   LYS  43          2HB       LYS  43  -1.353  -5.463   5.405
  287   1HG   LYS  43          2HG       LYS  43  -1.250  -6.618   2.626
  288   1HD   LYS  43          2HD       LYS  43  -1.275  -7.988   5.323
  289   1HE   LYS  43          2HE       LYS  43  -1.695 -10.020   3.945
  290   1HZ   LYS  43          1HZ       LYS  43   0.510  -9.804   4.689
  291   2HZ   LYS  43          2HZ       LYS  43   0.874  -8.595   3.563
  292   3HZ   LYS  43          3HZ       LYS  43   0.621 -10.186   3.043
  293    H    VAL  44           H        VAL  44  -0.095  -4.074   1.428
  294    HA   VAL  44           HA       VAL  44  -2.664  -3.208   0.300
  295    HB   VAL  44           HB       VAL  44  -1.487  -1.606  -1.179
  296   1HG1  VAL  44          1HG1      VAL  44  -2.598  -0.833   0.869
  297   2HG1  VAL  44          2HG1      VAL  44  -1.094  -1.059   1.762
  298   3HG1  VAL  44          3HG1      VAL  44  -1.184   0.151   0.482
  299   1HG2  VAL  44          1HG2      VAL  44   0.793  -0.903  -0.639
  300   2HG2  VAL  44          2HG2      VAL  44   0.884  -2.138   0.617
  301   3HG2  VAL  44          3HG2      VAL  44   0.742  -2.610  -1.077
  302    H    GLU  45           H        GLU  45  -2.877  -3.585  -1.951
  303    HA   GLU  45           HA       GLU  45  -1.076  -5.680  -2.969
  304   1HB   GLU  45          2HB       GLU  45  -3.380  -6.456  -2.697
  305   1HG   GLU  45          2HG       GLU  45  -2.470  -6.079  -5.536
  306    H    VAL  46           H        VAL  46   0.128  -5.190  -4.631
  307    HA   VAL  46           HA       VAL  46  -0.692  -3.105  -6.523
  308    HB   VAL  46           HB       VAL  46   2.190  -3.203  -5.816
  309   1HG1  VAL  46          1HG1      VAL  46   1.791  -0.655  -6.035
  310   2HG1  VAL  46          2HG1      VAL  46   1.772  -1.655  -7.486
  311   3HG1  VAL  46          3HG1      VAL  46   0.257  -1.134  -6.753
  312   1HG2  VAL  46          1HG2      VAL  46   1.233  -3.185  -3.602
  313   2HG2  VAL  46          2HG2      VAL  46   1.930  -1.607  -3.967
  314   3HG2  VAL  46          3HG2      VAL  46   0.185  -1.838  -4.037
  315    H    ASN  47           H        ASN  47  -0.039  -3.584  -8.623
  316    HA   ASN  47           HA       ASN  47   0.267  -4.944 -10.357
  317   1HB   ASN  47          2HB       ASN  47   2.478  -6.096 -10.565
  318   1HD2  ASN  47          1HD2      ASN  47   3.574  -3.776  -8.268
  319   2HD2  ASN  47          2HD2      ASN  47   4.384  -4.895  -7.221
  320    H    ASP  48           H        ASP  48   1.813  -7.331  -8.274
  321    HA   ASP  48           HA       ASP  48  -0.639  -8.888  -8.222
  322   1HB   ASP  48          2HB       ASP  48   0.370 -10.901  -9.102
  323    H    ARG  49           H        ARG  49   1.611  -7.501  -6.520
  324    HA   ARG  49           HA       ARG  49   2.089  -9.789  -4.730
  325   1HB   ARG  49          2HB       ARG  49   4.138  -8.987  -5.848
  326   1HG   ARG  49          2HG       ARG  49   4.442  -8.022  -3.047
  327   1HD   ARG  49          2HD       ARG  49   6.487  -9.410  -3.184
  328    HE   ARG  49           HE       ARG  49   7.029  -7.206  -3.847
  329   1HH1  ARG  49          2HH1      ARG  49   5.891  -9.127  -6.562
  330   2HH1  ARG  49          1HH1      ARG  49   6.667  -8.114  -7.748
  331   1HH2  ARG  49          2HH2      ARG  49   8.071  -5.924  -5.384
  332   2HH2  ARG  49          1HH2      ARG  49   7.919  -6.307  -7.085
  333    H    GLN  50           H        GLN  50   1.094  -9.642  -2.860
  334    HA   GLN  50           HA       GLN  50   0.275  -6.998  -1.881
  335   1HB   GLN  50          2HB       GLN  50  -0.557  -9.683  -0.761
  336   1HG   GLN  50          2HG       GLN  50  -2.054  -8.126  -2.867
  337   1HE2  GLN  50          1HE2      GLN  50  -4.063  -8.942  -3.419
  338   2HE2  GLN  50          2HE2      GLN  50  -4.949  -9.983  -2.352
  339    H    GLY  51           H        GLY  51   1.186  -6.129  -0.130
  340   1HA   GLY  51          1HA       GLY  51   2.579  -7.714   1.831
  341   2HA   GLY  51          2HA       GLY  51   3.659  -6.817   0.772
  342    H    PHE  52           H        PHE  52   4.319  -5.771   2.797
  343    HA   PHE  52           HA       PHE  52   2.339  -3.888   3.846
  344   1HB   PHE  52          2HB       PHE  52   4.965  -4.878   4.945
  345    HD1  PHE  52           1HD      PHE  52   1.569  -4.029   6.217
  346    HD2  PHE  52           2HD      PHE  52   4.589  -6.991   5.771
  347    HE1  PHE  52           1HE      PHE  52   0.217  -5.601   7.540
  348    HE2  PHE  52           2HE      PHE  52   3.245  -8.571   7.091
  349    HZ   PHE  52           HZ       PHE  52   1.074  -7.867   8.012
  350    H    VAL  53           H        VAL  53   2.653  -1.744   3.957
  351    HA   VAL  53           HA       VAL  53   5.135  -0.562   2.917
  352    HB   VAL  53           HB       VAL  53   3.846   1.184   1.721
  353   1HG1  VAL  53          1HG1      VAL  53   3.208  -0.163  -0.224
  354   2HG1  VAL  53          2HG1      VAL  53   4.745  -0.688   0.464
  355   3HG1  VAL  53          3HG1      VAL  53   3.278  -1.619   0.768
  356   1HG2  VAL  53          1HG2      VAL  53   1.457  -0.578   2.286
  357   2HG2  VAL  53          2HG2      VAL  53   1.749   1.032   2.945
  358   3HG2  VAL  53          3HG2      VAL  53   1.472   0.827   1.216
  359    HA   PRO  54           HA       PRO  54   4.729   2.094   6.460
  360   1HB   PRO  54          2HB       PRO  54   5.672   4.457   5.416
  361   1HG   PRO  54          2HG       PRO  54   5.897   3.834   3.199
  362   1HD   PRO  54          2HD       PRO  54   5.717   1.639   2.525
  363    H    ALA  55           H        ALA  55   3.035   3.122   7.277
  364    HA   ALA  55           HA       ALA  55   0.758   3.728   5.755
  365   1HB   ALA  55          1HB       ALA  55  -0.166   4.613   7.828
  366   2HB   ALA  55          2HB       ALA  55   0.687   3.098   8.117
  367   3HB   ALA  55          3HB       ALA  55   1.442   4.630   8.550
  368    H    ALA  56           H        ALA  56   3.493   5.681   6.617
  369    HA   ALA  56           HA       ALA  56   2.137   8.199   6.192
  370   1HB   ALA  56          1HB       ALA  56   4.357   9.185   6.578
  371   2HB   ALA  56          2HB       ALA  56   3.897   8.053   7.852
  372   3HB   ALA  56          3HB       ALA  56   5.055   7.564   6.611
  373    H    TYR  57           H        TYR  57   3.103   5.908   4.074
  374    HA   TYR  57           HA       TYR  57   4.162   7.836   2.124
  375   1HB   TYR  57          2HB       TYR  57   4.596   4.900   2.473
  376    HD1  TYR  57           1HD      TYR  57   7.089   5.209   0.618
  377    HD2  TYR  57           2HD      TYR  57   5.672   7.370   3.997
  378    HE1  TYR  57           1HE      TYR  57   9.387   5.914   1.126
  379    HE2  TYR  57           2HE      TYR  57   7.962   8.078   4.512
  380    HH   TYR  57           HH       TYR  57  10.222   7.453   4.103
  381    H    VAL  58           H        VAL  58   1.467   5.887   2.806
  382    HA   VAL  58           HA       VAL  58   0.470   6.383   0.091
  383    HB   VAL  58           HB       VAL  58  -1.082   4.476   0.446
  384   1HG1  VAL  58          1HG1      VAL  58   1.849   3.847   0.765
  385   2HG1  VAL  58          2HG1      VAL  58   0.621   2.731   0.163
  386   3HG1  VAL  58          3HG1      VAL  58   1.024   4.183  -0.760
  387   1HG2  VAL  58          1HG2      VAL  58  -0.672   2.924   2.265
  388   2HG2  VAL  58          2HG2      VAL  58   0.600   3.971   2.898
  389   3HG2  VAL  58          3HG2      VAL  58  -1.076   4.518   2.905
  390    H    LYS  59           H        LYS  59  -1.765   6.895  -0.121
  391    HA   LYS  59           HA       LYS  59  -2.752   8.459   2.176
  392   1HB   LYS  59          2HB       LYS  59  -2.103   9.821   0.255
  393   1HG   LYS  59          2HG       LYS  59  -5.090   9.652   0.559
  394   1HD   LYS  59          2HD       LYS  59  -3.395  11.767  -0.765
  395   1HE   LYS  59          2HE       LYS  59  -5.587  12.825  -1.275
  396   1HZ   LYS  59          1HZ       LYS  59  -5.909  13.785   0.913
  397   2HZ   LYS  59          2HZ       LYS  59  -4.256  13.656   0.555
  398   3HZ   LYS  59          3HZ       LYS  59  -4.977  12.554   1.619
  399    H    LYS  60           H        LYS  60  -4.843   8.278   2.804
  400    HA   LYS  60           HA       LYS  60  -6.332   5.968   1.972
  401   1HB   LYS  60          2HB       LYS  60  -7.129   8.308   3.729
  402   1HG   LYS  60          2HG       LYS  60  -5.341   6.701   4.601
  403   1HD   LYS  60          2HD       LYS  60  -6.390   4.600   3.845
  404   1HE   LYS  60          2HE       LYS  60  -8.244   4.049   5.827
  405   1HZ   LYS  60          1HZ       LYS  60  -8.985   4.910   3.101
  406   2HZ   LYS  60          2HZ       LYS  60  -9.752   3.763   4.091
  407   3HZ   LYS  60          3HZ       LYS  60  -8.238   3.424   3.412
  408    H    LEU  61           H        LEU  61  -7.233   5.948   0.012
  409    HA   LEU  61           HA       LEU  61  -8.419   8.356  -1.110
  410   1HB   LEU  61          2HB       LEU  61  -8.145   5.531  -2.124
  411    HG   LEU  61           HG       LEU  61  -6.067   6.969  -2.314
  412   1HD1  LEU  61          1HD1      LEU  61  -5.686   6.387  -4.646
  413   2HD1  LEU  61          2HD1      LEU  61  -6.523   5.080  -3.806
  414   3HD1  LEU  61          3HD1      LEU  61  -7.417   6.150  -4.887
  415   1HD2  LEU  61          1HD2      LEU  61  -7.921   8.583  -4.066
  416   2HD2  LEU  61          2HD2      LEU  61  -6.995   9.140  -2.672
  417   3HD2  LEU  61          3HD2      LEU  61  -6.160   8.676  -4.152
  418    H    ASP  62           H        ASP  62  -9.449   7.290   1.312
  419    HA   ASP  62           HA       ASP  62 -12.169   6.532   0.505
  420   1HB   ASP  62          2HB       ASP  62 -11.059   4.645   1.600
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -17.403  -6.867  -1.134
    2   2H    MET   1          2H        MET   1 -17.622  -5.227  -1.502
    3   3H    MET   1          3H        MET   1 -16.260  -5.724  -0.631
    4    HA   MET   1           HA       MET   1 -16.888  -6.340  -3.451
    5   1HB   MET   1          2HB       MET   1 -15.906  -4.042  -2.639
    6   1HG   MET   1          2HG       MET   1 -14.549  -5.595  -4.834
    7   1HE   MET   1          1HE       MET   1 -15.004  -3.254  -7.012
    8   2HE   MET   1          2HE       MET   1 -13.409  -2.503  -6.976
    9   3HE   MET   1          3HE       MET   1 -13.556  -4.259  -6.921
   10    H    ASP   2           H        ASP   2 -13.853  -6.569  -3.732
   11    HA   ASP   2           HA       ASP   2 -13.964  -9.440  -3.547
   12   1HB   ASP   2          2HB       ASP   2 -11.607  -9.339  -4.489
   13    H    GLU   3           H        GLU   3 -12.500  -6.930  -1.652
   14    HA   GLU   3           HA       GLU   3 -11.340  -9.036   0.071
   15   1HB   GLU   3          2HB       GLU   3  -9.551  -7.728  -1.035
   16   1HG   GLU   3          2HG       GLU   3  -8.237  -7.113   0.840
   17    H    THR   4           H        THR   4 -13.865  -8.533   0.489
   18    HA   THR   4           HA       THR   4 -15.391  -8.015   2.193
   19    HB   THR   4           HB       THR   4 -13.187  -6.570   3.684
   20    HG1  THR   4           1HG      THR   4 -12.204  -8.455   3.619
   21   1HG2  THR   4          1HG2      THR   4 -15.459  -6.352   4.569
   22   2HG2  THR   4          2HG2      THR   4 -14.455  -7.325   5.644
   23   3HG2  THR   4          3HG2      THR   4 -15.628  -8.109   4.585
   24    H    GLY   5           H        GLY   5 -13.312  -5.643   0.810
   25   1HA   GLY   5          1HA       GLY   5 -15.358  -3.834   0.166
   26   2HA   GLY   5          2HA       GLY   5 -14.495  -3.249   1.589
   27    H    LYS   6           H        LYS   6 -13.843  -1.457   0.101
   28    HA   LYS   6           HA       LYS   6 -11.200  -2.098  -0.832
   29   1HB   LYS   6          2HB       LYS   6 -12.770  -2.478  -2.783
   30   1HG   LYS   6          2HG       LYS   6 -11.384  -1.418  -4.384
   31   1HD   LYS   6          2HD       LYS   6  -9.157  -2.024  -3.608
   32   1HE   LYS   6          2HE       LYS   6  -9.691  -4.339  -2.817
   33   1HZ   LYS   6          1HZ       LYS   6 -11.238  -4.848  -4.776
   34   2HZ   LYS   6          2HZ       LYS   6  -9.707  -4.202  -5.110
   35   3HZ   LYS   6          3HZ       LYS   6 -11.075  -3.199  -5.163
   36    H    GLU   7           H        GLU   7 -10.582  -0.748   0.863
   37    HA   GLU   7           HA       GLU   7 -11.444   1.926   1.136
   38   1HB   GLU   7          2HB       GLU   7  -9.120   0.364   2.154
   39   1HG   GLU   7          2HG       GLU   7 -11.323   0.460   3.386
   40    H    LEU   8           H        LEU   8  -8.823   0.486  -0.770
   41    HA   LEU   8           HA       LEU   8  -7.409   1.267  -2.337
   42   1HB   LEU   8          2HB       LEU   8  -9.539   3.382  -2.583
   43    HG   LEU   8           HG       LEU   8 -10.161   1.053  -3.301
   44   1HD1  LEU   8          1HD1      LEU   8 -11.033   1.771  -5.492
   45   2HD1  LEU   8          2HD1      LEU   8 -11.294   2.971  -4.225
   46   3HD1  LEU   8          3HD1      LEU   8 -10.005   3.201  -5.408
   47   1HD2  LEU   8          1HD2      LEU   8  -7.981   1.547  -5.332
   48   2HD2  LEU   8          2HD2      LEU   8  -8.009   0.284  -4.101
   49   3HD2  LEU   8          3HD2      LEU   8  -9.177   0.254  -5.422
   50    H    VAL   9           H        VAL   9  -5.481   2.153  -2.147
   51    HA   VAL   9           HA       VAL   9  -5.283   4.763  -0.806
   52    HB   VAL   9           HB       VAL   9  -2.936   4.011  -0.086
   53   1HG1  VAL   9          1HG1      VAL   9  -4.771   4.423   1.474
   54   2HG1  VAL   9          2HG1      VAL   9  -5.343   2.770   1.237
   55   3HG1  VAL   9          3HG1      VAL   9  -3.777   3.059   1.992
   56   1HG2  VAL   9          1HG2      VAL   9  -4.202   1.313  -0.546
   57   2HG2  VAL   9          2HG2      VAL   9  -2.801   1.970  -1.389
   58   3HG2  VAL   9          3HG2      VAL   9  -2.700   1.598   0.330
   59    H    LEU  10           H        LEU  10  -3.801   6.179  -1.575
   60    HA   LEU  10           HA       LEU  10  -2.831   5.584  -4.276
   61   1HB   LEU  10          2HB       LEU  10  -4.165   7.420  -4.517
   62    HG   LEU  10           HG       LEU  10  -1.505   8.581  -3.807
   63   1HD1  LEU  10          1HD1      LEU  10  -1.651   7.326  -5.871
   64   2HD1  LEU  10          2HD1      LEU  10  -3.024   8.302  -6.390
   65   3HD1  LEU  10          3HD1      LEU  10  -1.434   9.044  -6.210
   66   1HD2  LEU  10          1HD2      LEU  10  -2.302  10.733  -4.669
   67   2HD2  LEU  10          2HD2      LEU  10  -3.939  10.083  -4.746
   68   3HD2  LEU  10          3HD2      LEU  10  -3.134  10.262  -3.187
   69    H    ALA  11           H        ALA  11  -0.718   5.327  -4.563
   70    HA   ALA  11           HA       ALA  11   1.159   5.686  -2.457
   71   1HB   ALA  11          1HB       ALA  11   1.678   5.196  -5.392
   72   2HB   ALA  11          2HB       ALA  11   2.809   4.927  -4.062
   73   3HB   ALA  11          3HB       ALA  11   1.355   3.935  -4.198
   74    H    LEU  12           H        LEU  12   1.900   7.607  -1.817
   75    HA   LEU  12           HA       LEU  12   1.816   9.919  -3.570
   76   1HB   LEU  12          2HB       LEU  12   2.999   9.720  -0.802
   77    HG   LEU  12           HG       LEU  12   0.580   9.052  -0.747
   78   1HD1  LEU  12          1HD1      LEU  12   1.303  11.706   0.501
   79   2HD1  LEU  12          2HD1      LEU  12  -0.022  10.659   1.009
   80   3HD1  LEU  12          3HD1      LEU  12   1.647  10.109   1.166
   81   1HD2  LEU  12          1HD2      LEU  12  -1.101  10.749  -1.240
   82   2HD2  LEU  12          2HD2      LEU  12   0.158  11.868  -1.762
   83   3HD2  LEU  12          3HD2      LEU  12  -0.147  10.395  -2.681
   84    H    TYR  13           H        TYR  13   4.169   7.798  -2.129
   85    HA   TYR  13           HA       TYR  13   6.295   9.161  -3.631
   86   1HB   TYR  13          2HB       TYR  13   6.820   7.643  -1.082
   87    HD1  TYR  13           1HD      TYR  13   6.373   8.430   1.087
   88    HD2  TYR  13           2HD      TYR  13   5.983  11.085  -2.210
   89    HE1  TYR  13           1HE      TYR  13   5.419  10.130   2.576
   90    HE2  TYR  13           2HE      TYR  13   5.041  12.797  -0.725
   91    HH   TYR  13           HH       TYR  13   3.789  12.805   1.496
   92    H    ASP  14           H        ASP  14   7.996   7.713  -4.399
   93    HA   ASP  14           HA       ASP  14   6.998   5.093  -5.050
   94   1HB   ASP  14          2HB       ASP  14   9.019   4.843  -6.357
   95    H    TYR  15           H        TYR  15   7.775   3.151  -4.260
   96    HA   TYR  15           HA       TYR  15   9.519   3.384  -1.909
   97   1HB   TYR  15          2HB       TYR  15   7.112   3.315  -1.223
   98    HD1  TYR  15           1HD      TYR  15   9.162   3.493   0.493
   99    HD2  TYR  15           2HD      TYR  15   7.209  -0.115  -0.622
  100    HE1  TYR  15           1HE      TYR  15   9.930   2.448   2.567
  101    HE2  TYR  15           2HE      TYR  15   7.985  -1.179   1.449
  102    HH   TYR  15           HH       TYR  15   9.736  -0.935   3.116
  103    H    GLN  16           H        GLN  16  10.998   1.864  -1.707
  104    HA   GLN  16           HA       GLN  16  10.857  -0.456  -3.501
  105   1HB   GLN  16          2HB       GLN  16  12.762   0.998  -3.974
  106   1HG   GLN  16          2HG       GLN  16  14.593  -0.506  -3.826
  107   1HE2  GLN  16          1HE2      GLN  16  12.214  -2.853  -2.939
  108   2HE2  GLN  16          2HE2      GLN  16  11.842  -3.391  -4.546
  109    H    GLU  17           H        GLU  17  10.166  -2.172  -2.448
  110    HA   GLU  17           HA       GLU  17  10.203  -2.618   0.293
  111   1HB   GLU  17          2HB       GLU  17   9.705  -4.929  -0.212
  112   1HG   GLU  17          2HG       GLU  17  10.777  -4.327  -2.950
  113    H    LYS  18           H        LYS  18  11.799  -3.028   1.681
  114    HA   LYS  18           HA       LYS  18  14.392  -3.833   0.595
  115   1HB   LYS  18          2HB       LYS  18  15.344  -3.045   2.670
  116   1HG   LYS  18          2HG       LYS  18  12.502  -2.690   3.530
  117   1HD   LYS  18          2HD       LYS  18  13.880  -1.765   5.617
  118   1HE   LYS  18          2HE       LYS  18  12.040  -0.555   4.700
  119   1HZ   LYS  18          1HZ       LYS  18  12.306  -0.757   2.382
  120   2HZ   LYS  18          2HZ       LYS  18  13.816   0.003   2.392
  121   3HZ   LYS  18          3HZ       LYS  18  12.414   0.899   2.712
  122    H    SER  19           H        SER  19  11.739  -5.268   1.703
  123    HA   SER  19           HA       SER  19  13.183  -7.702   2.295
  124   1HB   SER  19          2HB       SER  19  11.910  -8.156   4.353
  125    HG   SER  19           HG       SER  19  10.998  -5.472   4.285
  126    HA   PRO  20           HA       PRO  20  10.007  -9.384  -0.275
  127   1HB   PRO  20          2HB       PRO  20   9.644 -11.853   0.891
  128   1HG   PRO  20          2HG       PRO  20  10.971 -11.557   2.761
  129   1HD   PRO  20          2HD       PRO  20  12.481  -9.806   2.939
  130    H    ALA  21           H        ALA  21   9.419  -8.813   3.034
  131    HA   ALA  21           HA       ALA  21   6.626  -9.617   2.915
  132   1HB   ALA  21          1HB       ALA  21   8.130  -8.197   5.113
  133   2HB   ALA  21          2HB       ALA  21   6.504  -8.867   5.229
  134   3HB   ALA  21          3HB       ALA  21   7.885  -9.941   4.999
  135    H    GLU  22           H        GLU  22   8.517  -6.952   2.126
  136    HA   GLU  22           HA       GLU  22   6.401  -4.979   2.476
  137   1HB   GLU  22          2HB       GLU  22   9.261  -4.836   1.539
  138   1HG   GLU  22          2HG       GLU  22   7.989  -3.258   3.728
  139    H    VAL  23           H        VAL  23   6.400  -3.386   0.420
  140    HA   VAL  23           HA       VAL  23   6.257  -4.996  -2.021
  141    HB   VAL  23           HB       VAL  23   4.023  -3.336  -0.872
  142   1HG1  VAL  23          1HG1      VAL  23   4.192  -4.133  -3.761
  143   2HG1  VAL  23          2HG1      VAL  23   2.897  -3.244  -2.962
  144   3HG1  VAL  23          3HG1      VAL  23   4.486  -2.505  -3.146
  145   1HG2  VAL  23          1HG2      VAL  23   2.655  -5.225  -1.339
  146   2HG2  VAL  23          2HG2      VAL  23   3.940  -6.005  -2.260
  147   3HG2  VAL  23          3HG2      VAL  23   4.101  -5.804  -0.513
  148    H    THR  24           H        THR  24   7.132  -4.078  -3.730
  149    HA   THR  24           HA       THR  24   8.102  -1.364  -3.669
  150    HB   THR  24           HB       THR  24   8.044  -3.306  -5.991
  151    HG1  THR  24           1HG      THR  24   9.217  -4.219  -4.289
  152   1HG2  THR  24          1HG2      THR  24   8.456  -0.989  -6.662
  153   2HG2  THR  24          2HG2      THR  24   9.911  -1.969  -6.854
  154   3HG2  THR  24          3HG2      THR  24   9.761  -0.872  -5.482
  155    H    MET  25           H        MET  25   7.119   0.388  -4.535
  156    HA   MET  25           HA       MET  25   4.904   0.046  -6.401
  157   1HB   MET  25          2HB       MET  25   3.342   1.330  -5.083
  158   1HG   MET  25          2HG       MET  25   5.511   1.526  -3.005
  159   1HE   MET  25          1HE       MET  25   3.517   3.631  -0.367
  160   2HE   MET  25          2HE       MET  25   5.091   2.980  -0.818
  161   3HE   MET  25          3HE       MET  25   4.358   4.259  -1.784
  162    H    LYS  26           H        LYS  26   4.454   1.918  -7.609
  163    HA   LYS  26           HA       LYS  26   6.382   4.105  -7.258
  164   1HB   LYS  26          2HB       LYS  26   5.006   3.056  -9.725
  165   1HG   LYS  26          2HG       LYS  26   7.256   2.143  -9.044
  166   1HD   LYS  26          2HD       LYS  26   8.149   4.910  -9.867
  167   1HE   LYS  26          2HE       LYS  26   9.761   2.484  -9.079
  168   1HZ   LYS  26          1HZ       LYS  26  10.709   5.111 -10.081
  169   2HZ   LYS  26          2HZ       LYS  26  11.661   3.802  -9.574
  170   3HZ   LYS  26          3HZ       LYS  26  10.733   4.656  -8.449
  171    H    LYS  27           H        LYS  27   5.678   6.115  -6.963
  172    HA   LYS  27           HA       LYS  27   3.124   6.588  -6.006
  173   1HB   LYS  27          2HB       LYS  27   3.705   8.825  -5.765
  174   1HG   LYS  27          2HG       LYS  27   4.261   9.122  -8.259
  175   1HD   LYS  27          2HD       LYS  27   6.999   8.613  -7.099
  176   1HE   LYS  27          2HE       LYS  27   6.403   9.531  -9.888
  177   1HZ   LYS  27          1HZ       LYS  27   8.740  10.141  -9.823
  178   2HZ   LYS  27          2HZ       LYS  27   8.551   8.496  -9.479
  179   3HZ   LYS  27          3HZ       LYS  27   8.865   9.594  -8.224
  180    H    GLY  28           H        GLY  28   1.347   7.658  -6.792
  181   1HA   GLY  28          1HA       GLY  28   0.030   8.609  -8.540
  182   2HA   GLY  28          2HA       GLY  28   1.166   7.954  -9.710
  183    H    ASP  29           H        ASP  29   1.159   5.334  -8.246
  184    HA   ASP  29           HA       ASP  29  -1.045   4.177  -9.678
  185   1HB   ASP  29          2HB       ASP  29   1.173   3.071  -7.988
  186    H    ILE  30           H        ILE  30  -2.789   3.061  -8.850
  187    HA   ILE  30           HA       ILE  30  -3.624   3.878  -6.150
  188    HB   ILE  30           HB       ILE  30  -5.299   2.728  -8.393
  189   1HG1  ILE  30          2HG1      ILE  30  -4.468   4.917  -9.032
  190   1HG2  ILE  30          1HG2      ILE  30  -6.239   2.276  -6.201
  191   2HG2  ILE  30          2HG2      ILE  30  -6.129   3.985  -5.782
  192   3HG2  ILE  30          3HG2      ILE  30  -7.221   3.459  -7.064
  193   1HD1  ILE  30          1HD1      ILE  30  -5.637   5.954  -6.466
  194   2HD1  ILE  30          2HD1      ILE  30  -3.921   5.860  -6.860
  195   3HD1  ILE  30          3HD1      ILE  30  -4.980   6.929  -7.778
  196    H    LEU  31           H        LEU  31  -3.324   2.362  -4.598
  197    HA   LEU  31           HA       LEU  31  -3.097  -0.432  -5.485
  198   1HB   LEU  31          2HB       LEU  31  -2.367   0.284  -2.712
  199    HG   LEU  31           HG       LEU  31  -1.191   2.131  -3.669
  200   1HD1  LEU  31          1HD1      LEU  31  -0.014   0.586  -2.087
  201   2HD1  LEU  31          2HD1      LEU  31   0.761  -0.146  -3.494
  202   3HD1  LEU  31          3HD1      LEU  31   1.044   1.554  -3.115
  203   1HD2  LEU  31          1HD2      LEU  31  -1.295   1.418  -6.032
  204   2HD2  LEU  31          2HD2      LEU  31   0.317   1.946  -5.539
  205   3HD2  LEU  31          3HD2      LEU  31  -0.041   0.226  -5.702
  206    H    THR  32           H        THR  32  -4.004  -2.100  -4.173
  207    HA   THR  32           HA       THR  32  -6.578  -1.418  -3.046
  208    HB   THR  32           HB       THR  32  -5.192  -4.106  -3.175
  209    HG1  THR  32           1HG      THR  32  -6.182  -4.418  -5.094
  210   1HG2  THR  32          1HG2      THR  32  -8.093  -3.385  -2.713
  211   2HG2  THR  32          2HG2      THR  32  -6.970  -4.058  -1.517
  212   3HG2  THR  32          3HG2      THR  32  -7.459  -5.023  -2.909
  213    H    LEU  33           H        LEU  33  -6.988  -1.175  -0.901
  214    HA   LEU  33           HA       LEU  33  -4.794  -1.534   0.939
  215   1HB   LEU  33          2HB       LEU  33  -6.930   0.258   0.826
  216    HG   LEU  33           HG       LEU  33  -4.974   1.076   1.789
  217   1HD1  LEU  33          1HD1      LEU  33  -6.973   0.637   3.990
  218   2HD1  LEU  33          2HD1      LEU  33  -5.602   1.744   4.089
  219   3HD1  LEU  33          3HD1      LEU  33  -6.862   2.011   2.889
  220   1HD2  LEU  33          1HD2      LEU  33  -5.083  -1.206   3.751
  221   2HD2  LEU  33          2HD2      LEU  33  -3.937  -1.009   2.425
  222   3HD2  LEU  33          3HD2      LEU  33  -3.912   0.110   3.789
  223    H    LEU  34           H        LEU  34  -4.538  -3.217   2.183
  224    HA   LEU  34           HA       LEU  34  -6.693  -5.209   2.374
  225   1HB   LEU  34          2HB       LEU  34  -3.697  -5.422   2.655
  226    HG   LEU  34           HG       LEU  34  -4.531  -5.355   0.301
  227   1HD1  LEU  34          1HD1      LEU  34  -3.399  -8.005   1.199
  228   2HD1  LEU  34          2HD1      LEU  34  -3.298  -7.315  -0.424
  229   3HD1  LEU  34          3HD1      LEU  34  -2.471  -6.530   0.919
  230   1HD2  LEU  34          1HD2      LEU  34  -5.946  -7.889   1.124
  231   2HD2  LEU  34          2HD2      LEU  34  -6.700  -6.378   0.615
  232   3HD2  LEU  34          3HD2      LEU  34  -5.752  -7.318  -0.536
  233    H    ASN  35           H        ASN  35  -4.443  -3.270   4.229
  234    HA   ASN  35           HA       ASN  35  -5.940  -3.841   6.659
  235   1HB   ASN  35          2HB       ASN  35  -4.399  -5.405   7.248
  236   1HD2  ASN  35          1HD2      ASN  35  -1.846  -3.044   6.870
  237   2HD2  ASN  35          2HD2      ASN  35  -1.627  -2.748   8.556
  238    H    SER  36           H        SER  36  -6.275  -2.025   7.737
  239    HA   SER  36           HA       SER  36  -4.188   0.037   7.690
  240   1HB   SER  36          2HB       SER  36  -6.076   1.736   7.806
  241    HG   SER  36           HG       SER  36  -8.088   1.078   7.133
  242    H    THR  37           H        THR  37  -5.525  -2.182   9.538
  243    HA   THR  37           HA       THR  37  -6.328  -0.638  11.821
  244    HB   THR  37           HB       THR  37  -7.327  -2.849  11.401
  245    HG1  THR  37           1HG      THR  37  -5.821  -2.994  13.819
  246   1HG2  THR  37          1HG2      THR  37  -4.583  -3.933  12.061
  247   2HG2  THR  37          2HG2      THR  37  -5.388  -4.024  10.495
  248   3HG2  THR  37          3HG2      THR  37  -6.048  -4.898  11.879
  249    H    ASN  38           H        ASN  38  -3.385  -2.014  10.628
  250    HA   ASN  38           HA       ASN  38  -1.942  -1.680  13.106
  251   1HB   ASN  38          2HB       ASN  38  -1.331  -3.362  11.293
  252   1HD2  ASN  38          1HD2      ASN  38   1.293  -2.983  10.336
  253   2HD2  ASN  38          2HD2      ASN  38   2.336  -2.842  11.716
  254    H    LYS  39           H        LYS  39  -0.663   0.072  13.669
  255    HA   LYS  39           HA       LYS  39  -1.484   2.521  12.387
  256   1HB   LYS  39          2HB       LYS  39  -0.728   3.641  14.294
  257   1HG   LYS  39          2HG       LYS  39   1.055   1.330  15.018
  258   1HD   LYS  39          2HD       LYS  39   0.505   4.013  16.231
  259   1HE   LYS  39          2HE       LYS  39   2.899   3.977  15.944
  260   1HZ   LYS  39          1HZ       LYS  39   4.258   2.205  16.784
  261   2HZ   LYS  39          2HZ       LYS  39   3.179   1.567  15.646
  262   3HZ   LYS  39          3HZ       LYS  39   2.898   1.338  17.308
  263    H    ASP  40           H        ASP  40   1.134   0.427  12.006
  264    HA   ASP  40           HA       ASP  40   2.894   2.608  11.093
  265   1HB   ASP  40          2HB       ASP  40   3.719  -0.156  12.012
  266    H    TRP  41           H        TRP  41   2.633  -0.888  10.551
  267    HA   TRP  41           HA       TRP  41   3.275  -0.434   7.742
  268   1HB   TRP  41          2HB       TRP  41   3.324  -2.904   9.471
  269    HD1  TRP  41           HD       TRP  41   5.343  -2.059  10.946
  270    HE1  TRP  41           1HE      TRP  41   7.806  -1.543  10.417
  271    HE3  TRP  41           3HE      TRP  41   5.080  -1.983   5.839
  272    HZ2  TRP  41           2HZ      TRP  41   9.424  -1.161   8.142
  273    HZ3  TRP  41           3HZ      TRP  41   7.135  -1.531   4.562
  274    HH2  TRP  41           HH       TRP  41   9.261  -1.129   5.692
  275    H    TRP  42           H        TRP  42   1.650  -0.214   6.418
  276    HA   TRP  42           HA       TRP  42  -0.880  -1.570   6.945
  277   1HB   TRP  42          2HB       TRP  42  -0.022   0.559   5.002
  278    HD1  TRP  42           HD       TRP  42  -0.885   0.159   8.415
  279    HE1  TRP  42           1HE      TRP  42  -2.227   2.148   9.340
  280    HE3  TRP  42           3HE      TRP  42  -2.345   2.219   4.012
  281    HZ2  TRP  42           2HZ      TRP  42  -3.710   4.333   8.315
  282    HZ3  TRP  42           3HZ      TRP  42  -3.720   4.273   4.042
  283    HH2  TRP  42           HH       TRP  42  -4.390   5.304   6.162
  284    H    LYS  43           H        LYS  43  -1.914  -2.721   5.115
  285    HA   LYS  43           HA       LYS  43   0.140  -4.207   3.612
  286   1HB   LYS  43          2HB       LYS  43  -1.357  -5.385   5.456
  287   1HG   LYS  43          2HG       LYS  43  -1.008  -6.606   2.721
  288   1HD   LYS  43          2HD       LYS  43  -1.410  -7.861   5.439
  289   1HE   LYS  43          2HE       LYS  43  -1.513  -9.989   4.127
  290   1HZ   LYS  43          1HZ       LYS  43   0.473  -9.448   5.368
  291   2HZ   LYS  43          2HZ       LYS  43   1.103  -8.573   4.059
  292   3HZ   LYS  43          3HZ       LYS  43   0.883 -10.244   3.930
  293    H    VAL  44           H        VAL  44  -0.027  -4.103   1.467
  294    HA   VAL  44           HA       VAL  44  -2.560  -3.121   0.348
  295    HB   VAL  44           HB       VAL  44  -1.288  -1.711  -1.245
  296   1HG1  VAL  44          1HG1      VAL  44  -0.804  -1.052   1.660
  297   2HG1  VAL  44          2HG1      VAL  44  -0.804   0.096   0.322
  298   3HG1  VAL  44          3HG1      VAL  44  -2.294  -0.739   0.768
  299   1HG2  VAL  44          1HG2      VAL  44   1.066  -2.357   0.533
  300   2HG2  VAL  44          2HG2      VAL  44   0.855  -2.878  -1.140
  301   3HG2  VAL  44          3HG2      VAL  44   1.054  -1.165  -0.767
  302    H    GLU  45           H        GLU  45  -2.686  -3.374  -1.977
  303    HA   GLU  45           HA       GLU  45  -1.236  -5.737  -2.968
  304   1HB   GLU  45          2HB       GLU  45  -3.484  -6.420  -2.510
  305   1HG   GLU  45          2HG       GLU  45  -3.104  -5.860  -5.432
  306    H    VAL  46           H        VAL  46  -0.011  -5.234  -4.645
  307    HA   VAL  46           HA       VAL  46  -0.889  -3.058  -6.428
  308    HB   VAL  46           HB       VAL  46   2.020  -3.540  -5.999
  309   1HG1  VAL  46          1HG1      VAL  46   2.077  -1.082  -6.471
  310   2HG1  VAL  46          2HG1      VAL  46   1.445  -2.077  -7.788
  311   3HG1  VAL  46          3HG1      VAL  46   0.341  -1.170  -6.757
  312   1HG2  VAL  46          1HG2      VAL  46   0.316  -1.833  -4.201
  313   2HG2  VAL  46          2HG2      VAL  46   1.187  -3.293  -3.739
  314   3HG2  VAL  46          3HG2      VAL  46   2.078  -1.850  -4.223
  315    H    ASN  47           H        ASN  47  -1.070  -3.680  -8.435
  316    HA   ASN  47           HA       ASN  47  -1.250  -4.966 -10.232
  317   1HB   ASN  47          2HB       ASN  47   0.719  -5.805 -11.306
  318   1HD2  ASN  47          1HD2      ASN  47   2.724  -4.136  -9.098
  319   2HD2  ASN  47          2HD2      ASN  47   3.718  -5.481  -8.656
  320    H    ASP  48           H        ASP  48   0.745  -7.113  -8.176
  321    HA   ASP  48           HA       ASP  48  -1.437  -8.941  -7.853
  322   1HB   ASP  48          2HB       ASP  48  -0.647  -9.501 -10.146
  323    H    ARG  49           H        ARG  49   0.958  -7.360  -6.620
  324    HA   ARG  49           HA       ARG  49   2.087  -9.575  -5.048
  325   1HB   ARG  49          2HB       ARG  49   3.689  -8.350  -6.517
  326   1HG   ARG  49          2HG       ARG  49   4.410  -7.617  -3.715
  327   1HD   ARG  49          2HD       ARG  49   6.612  -8.539  -4.453
  328    HE   ARG  49           HE       ARG  49   6.454  -6.158  -4.735
  329   1HH1  ARG  49          2HH1      ARG  49   5.743  -8.025  -7.610
  330   2HH1  ARG  49          1HH1      ARG  49   6.083  -6.718  -8.703
  331   1HH2  ARG  49          2HH2      ARG  49   6.865  -4.424  -6.169
  332   2HH2  ARG  49          1HH2      ARG  49   6.690  -4.654  -7.883
  333    H    GLN  50           H        GLN  50   1.304  -9.653  -3.073
  334    HA   GLN  50           HA       GLN  50   0.184  -7.232  -1.851
  335   1HB   GLN  50          2HB       GLN  50  -0.136  -9.780  -0.414
  336   1HG   GLN  50          2HG       GLN  50  -0.267 -10.526  -2.829
  337   1HE2  GLN  50          1HE2      GLN  50  -3.590  -9.922  -2.230
  338   2HE2  GLN  50          2HE2      GLN  50  -3.902  -8.988  -3.655
  339    H    GLY  51           H        GLY  51   0.923  -6.463   0.120
  340   1HA   GLY  51          1HA       GLY  51   2.583  -7.849   1.904
  341   2HA   GLY  51          2HA       GLY  51   3.617  -6.978   0.782
  342    H    PHE  52           H        PHE  52   4.295  -5.914   2.830
  343    HA   PHE  52           HA       PHE  52   2.337  -3.991   3.848
  344   1HB   PHE  52          2HB       PHE  52   4.940  -5.023   4.949
  345    HD1  PHE  52           1HD      PHE  52   1.595  -3.972   6.227
  346    HD2  PHE  52           2HD      PHE  52   4.501  -7.063   5.911
  347    HE1  PHE  52           1HE      PHE  52   0.232  -5.396   7.691
  348    HE2  PHE  52           2HE      PHE  52   3.137  -8.495   7.375
  349    HZ   PHE  52           HZ       PHE  52   1.003  -7.653   8.273
  350    H    VAL  53           H        VAL  53   2.675  -1.850   3.936
  351    HA   VAL  53           HA       VAL  53   5.181  -0.710   2.898
  352    HB   VAL  53           HB       VAL  53   3.915   1.065   1.716
  353   1HG1  VAL  53          1HG1      VAL  53   4.778  -0.809   0.440
  354   2HG1  VAL  53          2HG1      VAL  53   3.303  -1.725   0.754
  355   3HG1  VAL  53          3HG1      VAL  53   3.240  -0.262  -0.232
  356   1HG2  VAL  53          1HG2      VAL  53   1.531   0.744   1.219
  357   2HG2  VAL  53          2HG2      VAL  53   1.502  -0.658   2.288
  358   3HG2  VAL  53          3HG2      VAL  53   1.822   0.947   2.948
  359    HA   PRO  54           HA       PRO  54   4.712   2.075   6.372
  360   1HB   PRO  54          2HB       PRO  54   5.658   4.408   5.315
  361   1HG   PRO  54          2HG       PRO  54   5.823   3.796   3.090
  362   1HD   PRO  54          2HD       PRO  54   5.651   1.601   2.418
  363    H    ALA  55           H        ALA  55   2.966   3.060   7.129
  364    HA   ALA  55           HA       ALA  55   0.733   3.633   5.532
  365   1HB   ALA  55          1HB       ALA  55   1.305   4.526   8.352
  366   2HB   ALA  55          2HB       ALA  55  -0.274   4.511   7.567
  367   3HB   ALA  55          3HB       ALA  55   0.571   2.993   7.876
  368    H    ALA  56           H        ALA  56   3.386   5.647   6.530
  369    HA   ALA  56           HA       ALA  56   2.050   8.146   6.093
  370   1HB   ALA  56          1HB       ALA  56   4.992   7.532   6.311
  371   2HB   ALA  56          2HB       ALA  56   4.264   9.136   6.383
  372   3HB   ALA  56          3HB       ALA  56   3.917   7.953   7.645
  373    H    TYR  57           H        TYR  57   3.428   5.845   4.016
  374    HA   TYR  57           HA       TYR  57   4.289   7.794   2.024
  375   1HB   TYR  57          2HB       TYR  57   4.613   4.824   2.281
  376    HD1  TYR  57           1HD      TYR  57   7.114   5.274   0.348
  377    HD2  TYR  57           2HD      TYR  57   5.770   7.029   3.977
  378    HE1  TYR  57           1HE      TYR  57   9.427   5.860   0.912
  379    HE2  TYR  57           2HE      TYR  57   8.079   7.625   4.554
  380    HH   TYR  57           HH       TYR  57  10.648   7.424   2.279
  381    H    VAL  58           H        VAL  58   1.541   5.934   2.742
  382    HA   VAL  58           HA       VAL  58   0.522   6.377   0.024
  383    HB   VAL  58           HB       VAL  58  -1.092   4.564   0.453
  384   1HG1  VAL  58          1HG1      VAL  58   0.945   4.006  -0.700
  385   2HG1  VAL  58          2HG1      VAL  58   1.824   3.873   0.827
  386   3HG1  VAL  58          3HG1      VAL  58   0.571   2.700   0.423
  387   1HG2  VAL  58          1HG2      VAL  58  -1.187   4.746   2.902
  388   2HG2  VAL  58          2HG2      VAL  58  -0.819   3.100   2.388
  389   3HG2  VAL  58          3HG2      VAL  58   0.464   4.137   3.006
  390    H    LYS  59           H        LYS  59  -1.657   7.060  -0.197
  391    HA   LYS  59           HA       LYS  59  -2.623   8.569   2.147
  392   1HB   LYS  59          2HB       LYS  59  -1.757   9.994   0.332
  393   1HG   LYS  59          2HG       LYS  59  -4.753  10.107   0.572
  394   1HD   LYS  59          2HD       LYS  59  -2.794  12.185  -0.397
  395   1HE   LYS  59          2HE       LYS  59  -4.813  13.543  -0.784
  396   1HZ   LYS  59          1HZ       LYS  59  -5.233  14.118   1.529
  397   2HZ   LYS  59          2HZ       LYS  59  -3.573  13.906   1.244
  398   3HZ   LYS  59          3HZ       LYS  59  -4.461  12.699   2.045
  399    H    LYS  60           H        LYS  60  -4.802   8.547   2.588
  400    HA   LYS  60           HA       LYS  60  -6.357   6.362   1.598
  401   1HB   LYS  60          2HB       LYS  60  -7.106   8.741   3.317
  402   1HG   LYS  60          2HG       LYS  60  -5.678   6.958   4.370
  403   1HD   LYS  60          2HD       LYS  60  -6.493   4.944   3.404
  404   1HE   LYS  60          2HE       LYS  60  -8.804   5.744   2.855
  405   1HZ   LYS  60          1HZ       LYS  60 -10.422   5.126   4.767
  406   2HZ   LYS  60          2HZ       LYS  60  -9.728   6.672   4.719
  407   3HZ   LYS  60          3HZ       LYS  60  -9.105   5.497   5.770
  408    H    LEU  61           H        LEU  61  -7.348   6.322  -0.303
  409    HA   LEU  61           HA       LEU  61  -8.094   8.779  -1.654
  410   1HB   LEU  61          2HB       LEU  61  -8.327   5.862  -2.352
  411    HG   LEU  61           HG       LEU  61  -6.060   7.089  -2.660
  412   1HD1  LEU  61          1HD1      LEU  61  -5.708   5.972  -4.815
  413   2HD1  LEU  61          2HD1      LEU  61  -6.600   4.952  -3.688
  414   3HD1  LEU  61          3HD1      LEU  61  -7.450   5.776  -4.993
  415   1HD2  LEU  61          1HD2      LEU  61  -6.920   9.184  -3.550
  416   2HD2  LEU  61          2HD2      LEU  61  -5.907   8.387  -4.750
  417   3HD2  LEU  61          3HD2      LEU  61  -7.664   8.333  -4.903
  418    H    ASP  62           H        ASP  62  -9.333   7.253   0.806
  419    HA   ASP  62           HA       ASP  62 -12.127   7.265   0.044
  420   1HB   ASP  62          2HB       ASP  62 -11.581   5.448   1.436
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1 -14.500  -9.102  -5.277
    2   2H    MET   1          2H        MET   1 -14.441  -7.995  -6.558
    3   3H    MET   1          3H        MET   1 -13.042  -8.326  -5.663
    4    HA   MET   1           HA       MET   1 -14.509 -10.233  -7.390
    5   1HB   MET   1          2HB       MET   1 -12.521 -10.163  -8.825
    6   1HG   MET   1          2HG       MET   1 -11.575  -7.861  -7.140
    7   1HE   MET   1          1HE       MET   1  -9.475  -9.749 -10.793
    8   2HE   MET   1          2HE       MET   1  -9.589 -10.531  -9.218
    9   3HE   MET   1          3HE       MET   1 -11.040 -10.296 -10.193
   10    H    ASP   2           H        ASP   2 -11.881  -9.677  -5.091
   11    HA   ASP   2           HA       ASP   2 -11.920 -12.386  -4.220
   12   1HB   ASP   2          2HB       ASP   2 -10.689 -12.668  -6.375
   13    H    GLU   3           H        GLU   3 -11.416  -9.261  -3.723
   14    HA   GLU   3           HA       GLU   3  -9.347  -9.616  -1.709
   15   1HB   GLU   3          2HB       GLU   3  -9.011  -7.212  -1.771
   16   1HG   GLU   3          2HG       GLU   3 -11.395  -6.521  -2.281
   17    H    THR   4           H        THR   4 -10.183  -9.851   0.433
   18    HA   THR   4           HA       THR   4 -12.940  -9.239   0.944
   19    HB   THR   4           HB       THR   4 -11.029  -9.681   3.215
   20    HG1  THR   4           1HG      THR   4 -11.651 -11.504   1.121
   21   1HG2  THR   4          1HG2      THR   4 -13.421  -9.414   3.640
   22   2HG2  THR   4          2HG2      THR   4 -12.895 -11.053   4.028
   23   3HG2  THR   4          3HG2      THR   4 -13.777 -10.738   2.533
   24    H    GLY   5           H        GLY   5 -11.363  -7.012   0.050
   25   1HA   GLY   5          1HA       GLY   5 -12.284  -4.941   1.620
   26   2HA   GLY   5          2HA       GLY   5 -10.694  -5.327   2.269
   27    H    LYS   6           H        LYS   6 -11.880  -3.024   0.672
   28    HA   LYS   6           HA       LYS   6  -9.790  -2.995  -1.388
   29   1HB   LYS   6          2HB       LYS   6 -11.937  -3.279  -2.476
   30   1HG   LYS   6          2HG       LYS   6 -11.946  -1.494  -4.007
   31   1HD   LYS   6          2HD       LYS   6  -9.612  -1.189  -4.593
   32   1HE   LYS   6          2HE       LYS   6  -8.950  -3.568  -4.656
   33   1HZ   LYS   6          1HZ       LYS   6 -11.804  -3.022  -5.262
   34   2HZ   LYS   6          2HZ       LYS   6 -10.988  -4.432  -5.730
   35   3HZ   LYS   6          3HZ       LYS   6 -10.484  -2.924  -6.327
   36    H    GLU   7           H        GLU   7 -11.954  -0.403  -0.685
   37    HA   GLU   7           HA       GLU   7 -11.786   1.539   0.463
   38   1HB   GLU   7          2HB       GLU   7  -9.500   0.071   1.723
   39   1HG   GLU   7          2HG       GLU   7 -10.696   0.715   3.795
   40    H    LEU   8           H        LEU   8  -8.858   0.440  -1.136
   41    HA   LEU   8           HA       LEU   8  -7.453   1.385  -2.610
   42   1HB   LEU   8          2HB       LEU   8  -9.590   3.502  -2.754
   43    HG   LEU   8           HG       LEU   8 -10.247   1.283  -3.684
   44   1HD1  LEU   8          1HD1      LEU   8 -11.000   2.143  -5.840
   45   2HD1  LEU   8          2HD1      LEU   8 -11.189   3.354  -4.572
   46   3HD1  LEU   8          3HD1      LEU   8  -9.854   3.477  -5.715
   47   1HD2  LEU   8          1HD2      LEU   8  -7.883   1.777  -5.490
   48   2HD2  LEU   8          2HD2      LEU   8  -8.128   0.412  -4.399
   49   3HD2  LEU   8          3HD2      LEU   8  -9.154   0.598  -5.820
   50    H    VAL   9           H        VAL   9  -5.553   2.248  -2.211
   51    HA   VAL   9           HA       VAL   9  -5.451   4.803  -0.773
   52    HB   VAL   9           HB       VAL   9  -3.108   4.035   0.010
   53   1HG1  VAL   9          1HG1      VAL   9  -4.069   3.040   2.058
   54   2HG1  VAL   9          2HG1      VAL   9  -4.905   4.509   1.558
   55   3HG1  VAL   9          3HG1      VAL   9  -5.628   2.930   1.245
   56   1HG2  VAL   9          1HG2      VAL   9  -4.424   1.354  -0.427
   57   2HG2  VAL   9          2HG2      VAL   9  -3.020   1.974  -1.297
   58   3HG2  VAL   9          3HG2      VAL   9  -2.908   1.634   0.430
   59    H    LEU  10           H        LEU  10  -3.915   6.250  -1.405
   60    HA   LEU  10           HA       LEU  10  -3.000   5.844  -4.158
   61   1HB   LEU  10          2HB       LEU  10  -4.346   7.700  -4.189
   62    HG   LEU  10           HG       LEU  10  -1.639   8.801  -3.543
   63   1HD1  LEU  10          1HD1      LEU  10  -1.640   9.368  -5.916
   64   2HD1  LEU  10          2HD1      LEU  10  -1.888   7.640  -5.665
   65   3HD1  LEU  10          3HD1      LEU  10  -3.253   8.676  -6.079
   66   1HD2  LEU  10          1HD2      LEU  10  -3.234  10.450  -2.773
   67   2HD2  LEU  10          2HD2      LEU  10  -2.461  10.999  -4.259
   68   3HD2  LEU  10          3HD2      LEU  10  -4.104  10.355  -4.307
   69    H    ALA  11           H        ALA  11  -0.893   5.435  -4.425
   70    HA   ALA  11           HA       ALA  11   1.019   5.739  -2.357
   71   1HB   ALA  11          1HB       ALA  11   1.215   4.047  -4.135
   72   2HB   ALA  11          2HB       ALA  11   1.484   5.334  -5.311
   73   3HB   ALA  11          3HB       ALA  11   2.656   5.061  -4.022
   74    H    LEU  12           H        LEU  12   1.906   7.571  -1.681
   75    HA   LEU  12           HA       LEU  12   1.759   9.986  -3.288
   76   1HB   LEU  12          2HB       LEU  12   2.966   9.552  -0.553
   77    HG   LEU  12           HG       LEU  12   0.529   9.109  -0.487
   78   1HD1  LEU  12          1HD1      LEU  12  -0.016  10.752   1.242
   79   2HD1  LEU  12          2HD1      LEU  12   1.627  10.140   1.429
   80   3HD1  LEU  12          3HD1      LEU  12   1.354  11.740   0.740
   81   1HD2  LEU  12          1HD2      LEU  12  -0.106  10.441  -2.444
   82   2HD2  LEU  12          2HD2      LEU  12  -1.046  10.895  -1.024
   83   3HD2  LEU  12          3HD2      LEU  12   0.283  11.920  -1.565
   84    H    TYR  13           H        TYR  13   4.153   7.747  -2.117
   85    HA   TYR  13           HA       TYR  13   6.234   9.233  -3.552
   86   1HB   TYR  13          2HB       TYR  13   6.803   7.724  -1.003
   87    HD1  TYR  13           1HD      TYR  13   6.105   8.407   1.059
   88    HD2  TYR  13           2HD      TYR  13   6.112  11.255  -2.085
   89    HE1  TYR  13           1HE      TYR  13   5.164  10.079   2.591
   90    HE2  TYR  13           2HE      TYR  13   5.180  12.946  -0.570
   91    HH   TYR  13           HH       TYR  13   3.884  13.045   1.500
   92    H    ASP  14           H        ASP  14   8.050   7.813  -4.246
   93    HA   ASP  14           HA       ASP  14   7.021   5.247  -5.070
   94   1HB   ASP  14          2HB       ASP  14   9.110   5.115  -6.390
   95    H    TYR  15           H        TYR  15   7.784   3.273  -4.393
   96    HA   TYR  15           HA       TYR  15   9.552   3.376  -2.041
   97   1HB   TYR  15          2HB       TYR  15   7.110   3.362  -1.429
   98    HD1  TYR  15           1HD      TYR  15   9.028   3.551   0.403
   99    HD2  TYR  15           2HD      TYR  15   7.217  -0.083  -0.866
  100    HE1  TYR  15           1HE      TYR  15   9.699   2.484   2.512
  101    HE2  TYR  15           2HE      TYR  15   7.906  -1.165   1.216
  102    HH   TYR  15           HH       TYR  15   9.126   0.584   3.901
  103    H    GLN  16           H        GLN  16  10.853   1.623  -1.713
  104    HA   GLN  16           HA       GLN  16  10.614  -0.588  -3.627
  105   1HB   GLN  16          2HB       GLN  16  12.911   1.129  -3.043
  106   1HG   GLN  16          2HG       GLN  16  11.893   0.596  -5.313
  107   1HE2  GLN  16          1HE2      GLN  16  11.646  -1.993  -3.836
  108   2HE2  GLN  16          2HE2      GLN  16  12.036  -3.210  -5.007
  109    H    GLU  17           H        GLU  17  10.236  -2.439  -2.729
  110    HA   GLU  17           HA       GLU  17  10.209  -2.921   0.035
  111   1HB   GLU  17          2HB       GLU  17   9.694  -5.203  -0.560
  112   1HG   GLU  17          2HG       GLU  17  10.876  -4.524  -3.225
  113    H    LYS  18           H        LYS  18  11.763  -3.554   1.428
  114    HA   LYS  18           HA       LYS  18  14.351  -4.384   0.330
  115   1HB   LYS  18          2HB       LYS  18  15.394  -3.436   2.123
  116   1HG   LYS  18          2HG       LYS  18  13.073  -4.239   3.828
  117   1HD   LYS  18          2HD       LYS  18  14.073  -2.038   4.499
  118   1HE   LYS  18          2HE       LYS  18  16.386  -2.583   3.767
  119   1HZ   LYS  18          1HZ       LYS  18  16.438  -4.224   6.242
  120   2HZ   LYS  18          2HZ       LYS  18  17.775  -3.856   5.264
  121   3HZ   LYS  18          3HZ       LYS  18  16.524  -4.829   4.660
  122    H    SER  19           H        SER  19  11.587  -5.721   1.581
  123    HA   SER  19           HA       SER  19  12.930  -8.243   2.151
  124   1HB   SER  19          2HB       SER  19  11.627  -8.526   4.243
  125    HG   SER  19           HG       SER  19  10.846  -5.809   3.860
  126    HA   PRO  20           HA       PRO  20   9.592  -9.925  -0.244
  127   1HB   PRO  20          2HB       PRO  20   8.990 -12.213   1.182
  128   1HG   PRO  20          2HG       PRO  20  10.378 -11.853   3.001
  129   1HD   PRO  20          2HD       PRO  20  12.076 -10.268   2.967
  130    H    ALA  21           H        ALA  21   9.127  -9.030   3.014
  131    HA   ALA  21           HA       ALA  21   6.271  -9.547   3.020
  132   1HB   ALA  21          1HB       ALA  21   6.312  -8.612   5.280
  133   2HB   ALA  21          2HB       ALA  21   7.532  -9.871   5.089
  134   3HB   ALA  21          3HB       ALA  21   8.008  -8.173   5.071
  135    H    GLU  22           H        GLU  22   8.336  -7.182   1.888
  136    HA   GLU  22           HA       GLU  22   6.348  -5.033   2.113
  137   1HB   GLU  22          2HB       GLU  22   9.247  -5.063   1.283
  138   1HG   GLU  22          2HG       GLU  22   7.971  -3.403   3.406
  139    H    VAL  23           H        VAL  23   6.013  -3.719   0.100
  140    HA   VAL  23           HA       VAL  23   6.488  -5.301  -2.338
  141    HB   VAL  23           HB       VAL  23   4.367  -5.050  -3.194
  142   1HG1  VAL  23          1HG1      VAL  23   3.848  -5.132  -0.243
  143   2HG1  VAL  23          2HG1      VAL  23   2.724  -5.625  -1.508
  144   3HG1  VAL  23          3HG1      VAL  23   4.229  -6.507  -1.275
  145   1HG2  VAL  23          1HG2      VAL  23   3.985  -2.732  -1.340
  146   2HG2  VAL  23          2HG2      VAL  23   4.102  -2.702  -3.094
  147   3HG2  VAL  23          3HG2      VAL  23   2.693  -3.422  -2.314
  148    H    THR  24           H        THR  24   6.881  -4.128  -4.194
  149    HA   THR  24           HA       THR  24   7.846  -1.429  -3.814
  150    HB   THR  24           HB       THR  24   7.877  -3.191  -6.273
  151    HG1  THR  24           1HG      THR  24   9.089  -4.088  -4.558
  152   1HG2  THR  24          1HG2      THR  24   9.630  -1.697  -7.077
  153   2HG2  THR  24          2HG2      THR  24   9.460  -0.700  -5.632
  154   3HG2  THR  24          3HG2      THR  24   8.135  -0.807  -6.791
  155    H    MET  25           H        MET  25   6.937   0.403  -4.650
  156    HA   MET  25           HA       MET  25   4.695   0.203  -6.502
  157   1HB   MET  25          2HB       MET  25   3.203   1.522  -5.131
  158   1HG   MET  25          2HG       MET  25   5.321   1.449  -2.989
  159   1HE   MET  25          1HE       MET  25   3.405   3.747  -0.428
  160   2HE   MET  25          2HE       MET  25   4.933   2.950  -0.801
  161   3HE   MET  25          3HE       MET  25   4.378   4.300  -1.792
  162    H    LYS  26           H        LYS  26   4.241   2.165  -7.581
  163    HA   LYS  26           HA       LYS  26   6.250   4.268  -7.184
  164   1HB   LYS  26          2HB       LYS  26   5.046   3.086  -9.619
  165   1HG   LYS  26          2HG       LYS  26   7.489   2.926  -9.041
  166   1HD   LYS  26          2HD       LYS  26   7.395   5.845  -9.808
  167   1HE   LYS  26          2HE       LYS  26   9.312   4.686 -10.825
  168   1HZ   LYS  26          1HZ       LYS  26   9.840   3.861  -8.032
  169   2HZ   LYS  26          2HZ       LYS  26  11.080   3.973  -9.177
  170   3HZ   LYS  26          3HZ       LYS  26   9.790   2.899  -9.429
  171    H    LYS  27           H        LYS  27   5.531   6.442  -7.124
  172    HA   LYS  27           HA       LYS  27   2.989   6.724  -5.943
  173   1HB   LYS  27          2HB       LYS  27   3.452   8.992  -5.637
  174   1HG   LYS  27          2HG       LYS  27   4.334   9.094  -8.221
  175   1HD   LYS  27          2HD       LYS  27   6.644   9.427  -6.328
  176   1HE   LYS  27          2HE       LYS  27   6.569  10.311  -9.201
  177   1HZ   LYS  27          1HZ       LYS  27   8.628  11.487  -8.440
  178   2HZ   LYS  27          2HZ       LYS  27   8.762   9.800  -8.526
  179   3HZ   LYS  27          3HZ       LYS  27   8.570  10.559  -7.023
  180    H    GLY  28           H        GLY  28   1.185   7.828  -6.641
  181   1HA   GLY  28          1HA       GLY  28  -0.294   8.611  -8.315
  182   2HA   GLY  28          2HA       GLY  28   0.884   8.150  -9.538
  183    H    ASP  29           H        ASP  29   1.072   5.513  -7.877
  184    HA   ASP  29           HA       ASP  29  -0.941   4.089  -9.369
  185   1HB   ASP  29          2HB       ASP  29   1.130   3.188  -7.366
  186    H    ILE  30           H        ILE  30  -2.811   3.219  -8.612
  187    HA   ILE  30           HA       ILE  30  -3.584   3.934  -5.871
  188    HB   ILE  30           HB       ILE  30  -5.375   2.868  -8.059
  189   1HG1  ILE  30          2HG1      ILE  30  -4.423   4.988  -8.810
  190   1HG2  ILE  30          1HG2      ILE  30  -6.212   2.582  -5.790
  191   2HG2  ILE  30          2HG2      ILE  30  -5.995   4.305  -5.482
  192   3HG2  ILE  30          3HG2      ILE  30  -7.174   3.764  -6.677
  193   1HD1  ILE  30          1HD1      ILE  30  -3.777   5.968  -6.674
  194   2HD1  ILE  30          2HD1      ILE  30  -4.775   7.066  -7.627
  195   3HD1  ILE  30          3HD1      ILE  30  -5.478   6.193  -6.266
  196    H    LEU  31           H        LEU  31  -3.411   2.379  -4.373
  197    HA   LEU  31           HA       LEU  31  -3.161  -0.399  -5.309
  198   1HB   LEU  31          2HB       LEU  31  -2.602   0.270  -2.483
  199    HG   LEU  31           HG       LEU  31  -1.364   2.119  -3.353
  200   1HD1  LEU  31          1HD1      LEU  31   0.899   1.437  -2.780
  201   2HD1  LEU  31          2HD1      LEU  31  -0.275   0.711  -1.683
  202   3HD1  LEU  31          3HD1      LEU  31   0.442  -0.258  -2.972
  203   1HD2  LEU  31          1HD2      LEU  31  -1.327   1.469  -5.718
  204   2HD2  LEU  31          2HD2      LEU  31   0.280   1.900  -5.129
  205   3HD2  LEU  31          3HD2      LEU  31  -0.156   0.206  -5.343
  206    H    THR  32           H        THR  32  -4.156  -2.084  -4.040
  207    HA   THR  32           HA       THR  32  -6.711  -1.320  -2.902
  208    HB   THR  32           HB       THR  32  -5.452  -4.052  -3.240
  209    HG1  THR  32           1HG      THR  32  -6.447  -4.115  -5.147
  210   1HG2  THR  32          1HG2      THR  32  -7.096  -3.995  -1.423
  211   2HG2  THR  32          2HG2      THR  32  -7.701  -4.914  -2.806
  212   3HG2  THR  32          3HG2      THR  32  -8.285  -3.265  -2.520
  213    H    LEU  33           H        LEU  33  -7.140  -1.232  -0.752
  214    HA   LEU  33           HA       LEU  33  -4.910  -1.618   1.041
  215   1HB   LEU  33          2HB       LEU  33  -7.107   0.150   0.979
  216    HG   LEU  33           HG       LEU  33  -5.078   1.049   1.695
  217   1HD1  LEU  33          1HD1      LEU  33  -5.534   1.896   3.941
  218   2HD1  LEU  33          2HD1      LEU  33  -6.958   1.954   2.899
  219   3HD1  LEU  33          3HD1      LEU  33  -6.813   0.693   4.125
  220   1HD2  LEU  33          1HD2      LEU  33  -4.970  -1.093   3.813
  221   2HD2  LEU  33          2HD2      LEU  33  -3.964  -0.998   2.367
  222   3HD2  LEU  33          3HD2      LEU  33  -3.817   0.228   3.629
  223    H    LEU  34           H        LEU  34  -4.648  -3.298   2.230
  224    HA   LEU  34           HA       LEU  34  -6.803  -5.267   2.489
  225   1HB   LEU  34          2HB       LEU  34  -3.808  -5.494   2.776
  226    HG   LEU  34           HG       LEU  34  -4.595  -5.293   0.407
  227   1HD1  LEU  34          1HD1      LEU  34  -3.419  -7.341  -0.368
  228   2HD1  LEU  34          2HD1      LEU  34  -2.543  -6.448   0.876
  229   3HD1  LEU  34          3HD1      LEU  34  -3.415  -7.920   1.300
  230   1HD2  LEU  34          1HD2      LEU  34  -5.990  -7.903   0.991
  231   2HD2  LEU  34          2HD2      LEU  34  -6.779  -6.358   0.666
  232   3HD2  LEU  34          3HD2      LEU  34  -5.815  -7.135  -0.590
  233    H    ASN  35           H        ASN  35  -4.594  -3.243   4.276
  234    HA   ASN  35           HA       ASN  35  -6.092  -3.676   6.715
  235   1HB   ASN  35          2HB       ASN  35  -4.629  -5.326   7.334
  236   1HD2  ASN  35          1HD2      ASN  35  -2.084  -2.923   7.073
  237   2HD2  ASN  35          2HD2      ASN  35  -1.914  -2.669   8.772
  238    H    SER  36           H        SER  36  -6.203  -1.851   7.894
  239    HA   SER  36           HA       SER  36  -4.050   0.118   7.640
  240   1HB   SER  36          2HB       SER  36  -5.921   1.908   7.597
  241    HG   SER  36           HG       SER  36  -7.328  -0.244   6.386
  242    H    THR  37           H        THR  37  -5.534  -1.809   9.671
  243    HA   THR  37           HA       THR  37  -6.223   0.054  11.761
  244    HB   THR  37           HB       THR  37  -7.416  -2.097  11.556
  245    HG1  THR  37           1HG      THR  37  -6.881  -0.934  13.682
  246   1HG2  THR  37          1HG2      THR  37  -5.536  -3.500  10.835
  247   2HG2  THR  37          2HG2      THR  37  -6.334  -4.181  12.254
  248   3HG2  THR  37          3HG2      THR  37  -4.799  -3.332  12.427
  249    H    ASN  38           H        ASN  38  -3.384  -1.455  10.643
  250    HA   ASN  38           HA       ASN  38  -1.912  -1.250  13.125
  251   1HB   ASN  38          2HB       ASN  38  -1.419  -2.953  11.307
  252   1HD2  ASN  38          1HD2      ASN  38   1.156  -2.810  10.286
  253   2HD2  ASN  38          2HD2      ASN  38   2.258  -2.738  11.626
  254    H    LYS  39           H        LYS  39  -0.534   0.429  13.715
  255    HA   LYS  39           HA       LYS  39  -1.154   2.935  12.459
  256   1HB   LYS  39          2HB       LYS  39  -0.118   3.995  14.293
  257   1HG   LYS  39          2HG       LYS  39   1.244   1.438  15.106
  258   1HD   LYS  39          2HD       LYS  39   1.418   4.279  16.093
  259   1HE   LYS  39          2HE       LYS  39   3.009   3.396  17.743
  260   1HZ   LYS  39          1HZ       LYS  39   3.896   2.888  14.951
  261   2HZ   LYS  39          2HZ       LYS  39   4.900   3.198  16.280
  262   3HZ   LYS  39          3HZ       LYS  39   3.862   4.409  15.705
  263    H    ASP  40           H        ASP  40   1.318   0.646  11.978
  264    HA   ASP  40           HA       ASP  40   3.099   2.736  10.899
  265   1HB   ASP  40          2HB       ASP  40   3.838   0.001  11.954
  266    H    TRP  41           H        TRP  41   2.645  -0.755  10.441
  267    HA   TRP  41           HA       TRP  41   3.233  -0.382   7.608
  268   1HB   TRP  41          2HB       TRP  41   3.228  -2.822   9.378
  269    HD1  TRP  41           HD       TRP  41   5.292  -2.080  10.821
  270    HE1  TRP  41           1HE      TRP  41   7.765  -1.620  10.272
  271    HE3  TRP  41           3HE      TRP  41   4.971  -1.928   5.724
  272    HZ2  TRP  41           2HZ      TRP  41   9.362  -1.236   7.975
  273    HZ3  TRP  41           3HZ      TRP  41   7.016  -1.509   4.424
  274    HH2  TRP  41           HH       TRP  41   9.167  -1.167   5.529
  275    H    TRP  42           H        TRP  42   1.686  -0.339   6.187
  276    HA   TRP  42           HA       TRP  42  -0.906  -1.547   6.844
  277   1HB   TRP  42          2HB       TRP  42  -0.082   0.571   4.872
  278    HD1  TRP  42           HD       TRP  42  -0.713   0.237   8.316
  279    HE1  TRP  42           1HE      TRP  42  -1.975   2.237   9.319
  280    HE3  TRP  42           3HE      TRP  42  -2.486   2.250   4.015
  281    HZ2  TRP  42           2HZ      TRP  42  -3.527   4.409   8.383
  282    HZ3  TRP  42           3HZ      TRP  42  -3.872   4.306   4.129
  283    HH2  TRP  42           HH       TRP  42  -4.358   5.356   6.279
  284    H    LYS  43           H        LYS  43  -1.976  -2.805   5.223
  285    HA   LYS  43           HA       LYS  43  -0.034  -4.351   3.642
  286   1HB   LYS  43          2HB       LYS  43  -1.543  -5.398   5.546
  287   1HG   LYS  43          2HG       LYS  43  -1.456  -6.784   2.880
  288   1HD   LYS  43          2HD       LYS  43  -1.241  -7.925   5.677
  289   1HE   LYS  43          2HE       LYS  43  -0.439  -9.457   3.909
  290   1HZ   LYS  43          1HZ       LYS  43  -3.190  -9.263   2.806
  291   2HZ   LYS  43          2HZ       LYS  43  -1.941 -10.262   2.243
  292   3HZ   LYS  43          3HZ       LYS  43  -1.821  -8.583   2.081
  293    H    VAL  44           H        VAL  44  -0.192  -4.243   1.512
  294    HA   VAL  44           HA       VAL  44  -2.736  -3.393   0.323
  295    HB   VAL  44           HB       VAL  44  -1.492  -1.890  -1.240
  296   1HG1  VAL  44          1HG1      VAL  44  -1.238  -0.028   0.338
  297   2HG1  VAL  44          2HG1      VAL  44  -2.715  -0.944   0.635
  298   3HG1  VAL  44          3HG1      VAL  44  -1.314  -1.167   1.681
  299   1HG2  VAL  44          1HG2      VAL  44   0.727  -2.878  -0.931
  300   2HG2  VAL  44          2HG2      VAL  44   0.744  -1.138  -0.642
  301   3HG2  VAL  44          3HG2      VAL  44   0.770  -2.259   0.717
  302    H    GLU  45           H        GLU  45  -2.830  -3.789  -1.989
  303    HA   GLU  45           HA       GLU  45  -0.937  -5.860  -2.884
  304   1HB   GLU  45          2HB       GLU  45  -3.181  -6.794  -2.606
  305   1HG   GLU  45          2HG       GLU  45  -2.531  -6.387  -5.520
  306    H    VAL  46           H        VAL  46   0.278  -5.305  -4.549
  307    HA   VAL  46           HA       VAL  46  -0.646  -3.205  -6.384
  308    HB   VAL  46           HB       VAL  46   2.225  -3.189  -5.640
  309   1HG1  VAL  46          1HG1      VAL  46   1.703  -1.671  -7.324
  310   2HG1  VAL  46          2HG1      VAL  46   0.216  -1.163  -6.520
  311   3HG1  VAL  46          3HG1      VAL  46   1.780  -0.687  -5.862
  312   1HG2  VAL  46          1HG2      VAL  46   1.848  -1.634  -3.774
  313   2HG2  VAL  46          2HG2      VAL  46   0.118  -1.964  -3.880
  314   3HG2  VAL  46          3HG2      VAL  46   1.236  -3.254  -3.446
  315    H    ASN  47           H        ASN  47  -0.209  -3.649  -8.452
  316    HA   ASN  47           HA       ASN  47   0.200  -4.828 -10.286
  317   1HB   ASN  47          2HB       ASN  47   2.492  -5.501 -10.799
  318   1HD2  ASN  47          1HD2      ASN  47   3.619  -3.486  -8.277
  319   2HD2  ASN  47          2HD2      ASN  47   4.611  -4.671  -7.488
  320    H    ASP  48           H        ASP  48   1.973  -6.970  -8.033
  321    HA   ASP  48           HA       ASP  48  -0.085  -8.967  -8.320
  322   1HB   ASP  48          2HB       ASP  48   1.371  -9.187 -10.373
  323    H    ARG  49           H        ARG  49   1.750  -7.349  -6.370
  324    HA   ARG  49           HA       ARG  49   2.562  -9.658  -4.744
  325   1HB   ARG  49          2HB       ARG  49   4.443  -8.369  -5.770
  326   1HG   ARG  49          2HG       ARG  49   4.861  -7.634  -2.986
  327   1HD   ARG  49          2HD       ARG  49   6.803  -9.135  -3.265
  328    HE   ARG  49           HE       ARG  49   7.308  -6.963  -4.139
  329   1HH1  ARG  49          2HH1      ARG  49   6.148  -9.225  -6.570
  330   2HH1  ARG  49          1HH1      ARG  49   6.827  -8.326  -7.892
  331   1HH2  ARG  49          2HH2      ARG  49   8.214  -5.829  -5.853
  332   2HH2  ARG  49          1HH2      ARG  49   8.013  -6.397  -7.490
  333    H    GLN  50           H        GLN  50   1.357  -9.816  -2.976
  334    HA   GLN  50           HA       GLN  50   0.195  -7.438  -1.741
  335   1HB   GLN  50          2HB       GLN  50   0.003 -10.326  -0.839
  336   1HG   GLN  50          2HG       GLN  50  -2.344 -10.290  -1.620
  337   1HE2  GLN  50          1HE2      GLN  50  -2.572  -9.761  -4.415
  338   2HE2  GLN  50          2HE2      GLN  50  -1.528 -10.891  -5.221
  339    H    GLY  51           H        GLY  51   0.895  -6.582   0.163
  340   1HA   GLY  51          1HA       GLY  51   2.550  -7.891   2.023
  341   2HA   GLY  51          2HA       GLY  51   3.566  -7.003   0.895
  342    H    PHE  52           H        PHE  52   4.270  -5.706   2.646
  343    HA   PHE  52           HA       PHE  52   2.235  -3.871   3.701
  344   1HB   PHE  52          2HB       PHE  52   4.827  -4.867   4.858
  345    HD1  PHE  52           1HD      PHE  52   1.695  -3.675   6.402
  346    HD2  PHE  52           2HD      PHE  52   4.142  -7.029   5.476
  347    HE1  PHE  52           1HE      PHE  52   0.300  -5.083   7.852
  348    HE2  PHE  52           2HE      PHE  52   2.745  -8.449   6.921
  349    HZ   PHE  52           HZ       PHE  52   0.824  -7.471   8.118
  350    H    VAL  53           H        VAL  53   2.634  -1.718   3.889
  351    HA   VAL  53           HA       VAL  53   5.109  -0.569   2.795
  352    HB   VAL  53           HB       VAL  53   3.811   1.251   1.710
  353   1HG1  VAL  53          1HG1      VAL  53   4.640  -0.578   0.356
  354   2HG1  VAL  53          2HG1      VAL  53   3.165  -1.495   0.674
  355   3HG1  VAL  53          3HG1      VAL  53   3.090   0.003  -0.258
  356   1HG2  VAL  53          1HG2      VAL  53   1.419   0.907   1.240
  357   2HG2  VAL  53          2HG2      VAL  53   1.430  -0.498   2.306
  358   3HG2  VAL  53          3HG2      VAL  53   1.751   1.109   2.960
  359    HA   PRO  54           HA       PRO  54   4.592   2.119   6.338
  360   1HB   PRO  54          2HB       PRO  54   5.495   4.479   5.002
  361   1HG   PRO  54          2HG       PRO  54   6.995   3.701   3.484
  362   1HD   PRO  54          2HD       PRO  54   5.370   2.434   2.481
  363    H    ALA  55           H        ALA  55   2.811   3.042   7.110
  364    HA   ALA  55           HA       ALA  55   0.602   3.783   5.598
  365   1HB   ALA  55          1HB       ALA  55   1.348   4.726   8.367
  366   2HB   ALA  55          2HB       ALA  55  -0.264   4.773   7.654
  367   3HB   ALA  55          3HB       ALA  55   0.514   3.223   7.975
  368    H    ALA  56           H        ALA  56   3.379   5.665   6.540
  369    HA   ALA  56           HA       ALA  56   2.184   8.225   6.060
  370   1HB   ALA  56          1HB       ALA  56   4.429   9.102   6.439
  371   2HB   ALA  56          2HB       ALA  56   3.971   7.948   7.691
  372   3HB   ALA  56          3HB       ALA  56   5.080   7.462   6.409
  373    H    TYR  57           H        TYR  57   3.162   5.852   3.975
  374    HA   TYR  57           HA       TYR  57   4.175   7.760   1.982
  375   1HB   TYR  57          2HB       TYR  57   4.582   4.820   2.348
  376    HD1  TYR  57           1HD      TYR  57   6.961   5.359   0.225
  377    HD2  TYR  57           2HD      TYR  57   5.769   7.024   3.947
  378    HE1  TYR  57           1HE      TYR  57   9.282   6.051   0.647
  379    HE2  TYR  57           2HE      TYR  57   8.081   7.716   4.386
  380    HH   TYR  57           HH       TYR  57  10.447   7.847   2.051
  381    H    VAL  58           H        VAL  58   1.465   5.900   2.775
  382    HA   VAL  58           HA       VAL  58   0.398   6.324   0.072
  383    HB   VAL  58           HB       VAL  58  -1.200   4.517   0.502
  384   1HG1  VAL  58          1HG1      VAL  58   0.444   2.637   0.471
  385   2HG1  VAL  58          2HG1      VAL  58   0.820   3.944  -0.656
  386   3HG1  VAL  58          3HG1      VAL  58   1.708   3.807   0.865
  387   1HG2  VAL  58          1HG2      VAL  58  -0.925   3.038   2.434
  388   2HG2  VAL  58          2HG2      VAL  58   0.335   4.100   3.067
  389   3HG2  VAL  58          3HG2      VAL  58  -1.325   4.682   2.937
  390    H    LYS  59           H        LYS  59  -1.727   7.065  -0.118
  391    HA   LYS  59           HA       LYS  59  -2.628   8.591   2.229
  392   1HB   LYS  59          2HB       LYS  59  -1.814   9.873   0.220
  393   1HG   LYS  59          2HG       LYS  59  -4.740  10.272   0.795
  394   1HD   LYS  59          2HD       LYS  59  -2.646  11.910  -0.610
  395   1HE   LYS  59          2HE       LYS  59  -5.266  12.953   0.458
  396   1HZ   LYS  59          1HZ       LYS  59  -4.631  14.004  -1.588
  397   2HZ   LYS  59          2HZ       LYS  59  -3.055  14.261  -1.029
  398   3HZ   LYS  59          3HZ       LYS  59  -4.352  15.085  -0.316
  399    H    LYS  60           H        LYS  60  -4.743   8.486   2.815
  400    HA   LYS  60           HA       LYS  60  -6.120   6.102   1.969
  401   1HB   LYS  60          2HB       LYS  60  -6.013   7.096   4.371
  402   1HG   LYS  60          2HG       LYS  60  -8.690   6.651   4.559
  403   1HD   LYS  60          2HD       LYS  60  -6.584   4.535   4.336
  404   1HE   LYS  60          2HE       LYS  60  -8.033   3.445   6.067
  405   1HZ   LYS  60          1HZ       LYS  60  -8.214   2.958   3.602
  406   2HZ   LYS  60          2HZ       LYS  60  -9.616   3.914   3.617
  407   3HZ   LYS  60          3HZ       LYS  60  -9.529   2.518   4.572
  408    H    LEU  61           H        LEU  61  -7.096   6.223   0.015
  409    HA   LEU  61           HA       LEU  61  -8.553   8.586  -0.806
  410   1HB   LEU  61          2HB       LEU  61  -8.242   5.861  -2.086
  411    HG   LEU  61           HG       LEU  61  -6.143   7.263  -2.193
  412   1HD1  LEU  61          1HD1      LEU  61  -5.844   6.931  -4.594
  413   2HD1  LEU  61          2HD1      LEU  61  -6.658   5.553  -3.852
  414   3HD1  LEU  61          3HD1      LEU  61  -7.585   6.724  -4.788
  415   1HD2  LEU  61          1HD2      LEU  61  -7.961   9.091  -3.768
  416   2HD2  LEU  61          2HD2      LEU  61  -7.075   9.481  -2.293
  417   3HD2  LEU  61          3HD2      LEU  61  -6.197   9.166  -3.790
  418    H    ASP  62           H        ASP  62  -9.643   8.164   1.342
  419    HA   ASP  62           HA       ASP  62 -12.156   6.823   1.155
  420   1HB   ASP  62          2HB       ASP  62 -10.667   4.850   1.413
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1 -17.008  -5.016  -4.243
    2   2H    MET   1          2H        MET   1 -15.317  -5.035  -4.174
    3   3H    MET   1          3H        MET   1 -16.195  -3.959  -3.196
    4    HA   MET   1           HA       MET   1 -17.143  -5.774  -1.969
    5   1HB   MET   1          2HB       MET   1 -17.126  -7.417  -3.801
    6   1HG   MET   1          2HG       MET   1 -16.348  -9.404  -2.616
    7   1HE   MET   1          1HE       MET   1 -18.955  -9.586  -2.896
    8   2HE   MET   1          2HE       MET   1 -20.118  -8.637  -1.970
    9   3HE   MET   1          3HE       MET   1 -19.070  -7.844  -3.148
   10    H    ASP   2           H        ASP   2 -13.791  -6.527  -2.994
   11    HA   ASP   2           HA       ASP   2 -12.824  -5.310  -0.516
   12   1HB   ASP   2          2HB       ASP   2 -13.361  -7.698   0.071
   13    H    GLU   3           H        GLU   3 -12.597  -4.934  -3.449
   14    HA   GLU   3           HA       GLU   3  -9.968  -4.033  -3.456
   15   1HB   GLU   3          2HB       GLU   3  -9.171  -5.455  -5.504
   16   1HG   GLU   3          2HG       GLU   3  -9.536  -7.892  -5.047
   17    H    THR   4           H        THR   4 -11.959  -5.321  -6.170
   18    HA   THR   4           HA       THR   4 -11.919  -2.802  -7.515
   19    HB   THR   4           HB       THR   4 -14.168  -4.740  -7.991
   20    HG1  THR   4           1HG      THR   4 -12.261  -6.058  -7.798
   21   1HG2  THR   4          1HG2      THR   4 -12.384  -3.094  -9.794
   22   2HG2  THR   4          2HG2      THR   4 -14.037  -2.701  -9.318
   23   3HG2  THR   4          3HG2      THR   4 -13.721  -4.113 -10.328
   24    H    GLY   5           H        GLY   5 -12.467  -1.736  -5.311
   25   1HA   GLY   5          1HA       GLY   5 -14.428  -0.149  -5.046
   26   2HA   GLY   5          2HA       GLY   5 -15.389  -1.617  -4.929
   27    H    LYS   6           H        LYS   6 -13.314   0.562  -3.324
   28    HA   LYS   6           HA       LYS   6 -14.203   0.018  -0.771
   29   1HB   LYS   6          2HB       LYS   6 -12.433  -1.156   0.332
   30   1HG   LYS   6          2HG       LYS   6 -11.003  -1.813  -2.204
   31   1HD   LYS   6          2HD       LYS   6  -9.253  -2.461  -0.778
   32   1HE   LYS   6          2HE       LYS   6 -11.871  -3.121   0.565
   33   1HZ   LYS   6          1HZ       LYS   6 -10.567  -4.997   1.547
   34   2HZ   LYS   6          2HZ       LYS   6 -10.293  -3.474   2.244
   35   3HZ   LYS   6          3HZ       LYS   6  -9.155  -4.129   1.172
   36    H    GLU   7           H        GLU   7 -11.973   0.631   0.768
   37    HA   GLU   7           HA       GLU   7 -11.782   3.353   0.648
   38   1HB   GLU   7          2HB       GLU   7  -9.727   1.397   1.693
   39   1HG   GLU   7          2HG       GLU   7 -10.589   2.077   3.899
   40    H    LEU   8           H        LEU   8  -9.401   1.050  -0.644
   41    HA   LEU   8           HA       LEU   8  -7.659   1.249  -2.071
   42   1HB   LEU   8          2HB       LEU   8  -9.366   3.482  -3.157
   43    HG   LEU   8           HG       LEU   8 -10.280   1.173  -3.473
   44   1HD1  LEU   8          1HD1      LEU   8  -9.364   2.557  -5.989
   45   2HD1  LEU   8          2HD1      LEU   8 -10.716   1.434  -5.846
   46   3HD1  LEU   8          3HD1      LEU   8 -10.782   2.998  -5.035
   47   1HD2  LEU   8          1HD2      LEU   8  -7.754   0.810  -5.084
   48   2HD2  LEU   8          2HD2      LEU   8  -8.204  -0.073  -3.625
   49   3HD2  LEU   8          3HD2      LEU   8  -9.139  -0.284  -5.105
   50    H    VAL   9           H        VAL   9  -5.666   2.225  -2.254
   51    HA   VAL   9           HA       VAL   9  -5.390   4.791  -0.860
   52    HB   VAL   9           HB       VAL   9  -3.126   3.958  -0.050
   53   1HG1  VAL   9          1HG1      VAL   9  -4.999   4.310   1.455
   54   2HG1  VAL   9          2HG1      VAL   9  -5.621   2.701   1.078
   55   3HG1  VAL   9          3HG1      VAL   9  -4.086   2.875   1.928
   56   1HG2  VAL   9          1HG2      VAL   9  -2.896   1.535   0.243
   57   2HG2  VAL   9          2HG2      VAL   9  -4.379   1.288  -0.679
   58   3HG2  VAL   9          3HG2      VAL   9  -2.958   1.982  -1.463
   59    H    LEU  10           H        LEU  10  -3.955   6.205  -1.655
   60    HA   LEU  10           HA       LEU  10  -2.945   5.607  -4.335
   61   1HB   LEU  10          2HB       LEU  10  -4.237   7.489  -4.519
   62    HG   LEU  10           HG       LEU  10  -1.522   8.557  -3.866
   63   1HD1  LEU  10          1HD1      LEU  10  -3.069   8.248  -6.427
   64   2HD1  LEU  10          2HD1      LEU  10  -1.463   8.960  -6.283
   65   3HD1  LEU  10          3HD1      LEU  10  -1.710   7.258  -5.896
   66   1HD2  LEU  10          1HD2      LEU  10  -3.918  10.108  -4.827
   67   2HD2  LEU  10          2HD2      LEU  10  -3.098  10.297  -3.276
   68   3HD2  LEU  10          3HD2      LEU  10  -2.260  10.711  -4.771
   69    H    ALA  11           H        ALA  11  -0.833   5.255  -4.596
   70    HA   ALA  11           HA       ALA  11   1.038   5.516  -2.476
   71   1HB   ALA  11          1HB       ALA  11   1.234   3.813  -4.245
   72   2HB   ALA  11          2HB       ALA  11   1.537   5.090  -5.424
   73   3HB   ALA  11          3HB       ALA  11   2.692   4.802  -4.120
   74    H    LEU  12           H        LEU  12   1.847   7.399  -1.774
   75    HA   LEU  12           HA       LEU  12   1.784   9.747  -3.480
   76   1HB   LEU  12          2HB       LEU  12   2.913   9.500  -0.696
   77    HG   LEU  12           HG       LEU  12   0.490   8.890  -0.695
   78   1HD1  LEU  12          1HD1      LEU  12   1.166  11.546   0.555
   79   2HD1  LEU  12          2HD1      LEU  12  -0.117  10.449   1.065
   80   3HD1  LEU  12          3HD1      LEU  12   1.575   9.964   1.221
   81   1HD2  LEU  12          1HD2      LEU  12   0.175  11.689  -1.785
   82   2HD2  LEU  12          2HD2      LEU  12  -0.221  10.190  -2.626
   83   3HD2  LEU  12          3HD2      LEU  12  -1.137  10.666  -1.196
   84    H    TYR  13           H        TYR  13   4.130   7.604  -2.026
   85    HA   TYR  13           HA       TYR  13   6.274   9.013  -3.466
   86   1HB   TYR  13          2HB       TYR  13   6.769   7.359  -0.997
   87    HD1  TYR  13           1HD      TYR  13   6.381   8.055   1.231
   88    HD2  TYR  13           2HD      TYR  13   5.890  10.840  -1.943
   89    HE1  TYR  13           1HE      TYR  13   5.435   9.683   2.811
   90    HE2  TYR  13           2HE      TYR  13   4.951  12.475  -0.373
   91    HH   TYR  13           HH       TYR  13   3.843  12.529   1.785
   92    H    ASP  14           H        ASP  14   7.912   7.654  -4.366
   93    HA   ASP  14           HA       ASP  14   7.015   5.022  -5.094
   94   1HB   ASP  14          2HB       ASP  14   9.166   4.904  -6.324
   95    H    TYR  15           H        TYR  15   7.755   3.105  -4.299
   96    HA   TYR  15           HA       TYR  15   9.510   3.301  -1.948
   97   1HB   TYR  15          2HB       TYR  15   7.116   3.244  -1.267
   98    HD1  TYR  15           1HD      TYR  15   9.141   3.315   0.468
   99    HD2  TYR  15           2HD      TYR  15   7.126  -0.212  -0.786
  100    HE1  TYR  15           1HE      TYR  15   9.858   2.185   2.521
  101    HE2  TYR  15           2HE      TYR  15   7.854  -1.359   1.263
  102    HH   TYR  15           HH       TYR  15   9.587  -1.196   2.948
  103    H    GLN  16           H        GLN  16  11.183   2.033  -2.173
  104    HA   GLN  16           HA       GLN  16  10.892  -0.448  -3.705
  105   1HB   GLN  16          2HB       GLN  16  12.769   1.033  -4.338
  106   1HG   GLN  16          2HG       GLN  16  14.535  -0.549  -4.389
  107   1HE2  GLN  16          1HE2      GLN  16  12.111  -2.762  -3.257
  108   2HE2  GLN  16          2HE2      GLN  16  11.552  -3.281  -4.817
  109    H    GLU  17           H        GLU  17  10.203  -2.040  -2.518
  110    HA   GLU  17           HA       GLU  17  10.157  -2.363   0.185
  111   1HB   GLU  17          2HB       GLU  17   9.855  -4.741  -0.214
  112   1HG   GLU  17          2HG       GLU  17  10.985  -4.161  -2.932
  113    H    LYS  18           H        LYS  18  11.529  -2.866   1.759
  114    HA   LYS  18           HA       LYS  18  14.317  -3.442   1.056
  115   1HB   LYS  18          2HB       LYS  18  13.162  -2.874   3.793
  116   1HG   LYS  18          2HG       LYS  18  14.243  -0.879   1.815
  117   1HD   LYS  18          2HD       LYS  18  13.635   0.747   3.641
  118   1HE   LYS  18          2HE       LYS  18  15.703   0.358   4.945
  119   1HZ   LYS  18          1HZ       LYS  18  15.921   1.432   2.827
  120   2HZ   LYS  18          2HZ       LYS  18  15.947  -0.056   2.017
  121   3HZ   LYS  18          3HZ       LYS  18  17.230   0.372   3.042
  122    H    SER  19           H        SER  19  11.540  -5.076   1.783
  123    HA   SER  19           HA       SER  19  12.939  -7.449   2.723
  124   1HB   SER  19          2HB       SER  19  10.486  -6.383   4.149
  125    HG   SER  19           HG       SER  19  11.948  -4.985   4.824
  126    HA   PRO  20           HA       PRO  20  10.225  -9.354  -0.205
  127   1HB   PRO  20          2HB       PRO  20   9.787 -11.784   1.065
  128   1HG   PRO  20          2HG       PRO  20  10.989 -11.458   2.993
  129   1HD   PRO  20          2HD       PRO  20  12.229  -9.546   3.331
  130    H    ALA  21           H        ALA  21   9.187  -9.205   3.152
  131    HA   ALA  21           HA       ALA  21   6.436  -9.781   2.611
  132   1HB   ALA  21          1HB       ALA  21   6.026  -9.014   4.889
  133   2HB   ALA  21          2HB       ALA  21   7.396 -10.125   4.835
  134   3HB   ALA  21          3HB       ALA  21   7.674  -8.387   4.983
  135    H    GLU  22           H        GLU  22   8.393  -7.136   2.002
  136    HA   GLU  22           HA       GLU  22   6.246  -5.157   2.126
  137   1HB   GLU  22          2HB       GLU  22   9.192  -4.990   1.496
  138   1HG   GLU  22          2HG       GLU  22   7.686  -3.502   3.601
  139    H    VAL  23           H        VAL  23   6.104  -3.702   0.095
  140    HA   VAL  23           HA       VAL  23   6.653  -5.288  -2.322
  141    HB   VAL  23           HB       VAL  23   4.583  -4.690  -3.395
  142   1HG1  VAL  23          1HG1      VAL  23   2.966  -5.925  -2.020
  143   2HG1  VAL  23          2HG1      VAL  23   4.518  -6.743  -2.203
  144   3HG1  VAL  23          3HG1      VAL  23   4.134  -5.910  -0.697
  145   1HG2  VAL  23          1HG2      VAL  23   4.292  -2.503  -2.187
  146   2HG2  VAL  23          2HG2      VAL  23   2.826  -3.452  -2.433
  147   3HG2  VAL  23          3HG2      VAL  23   3.605  -3.436  -0.855
  148    H    THR  24           H        THR  24   7.336  -4.257  -4.050
  149    HA   THR  24           HA       THR  24   8.199  -1.542  -3.887
  150    HB   THR  24           HB       THR  24   8.043  -3.320  -6.334
  151    HG1  THR  24           1HG      THR  24   9.229  -4.272  -4.533
  152   1HG2  THR  24          1HG2      THR  24   9.929  -1.954  -7.127
  153   2HG2  THR  24          2HG2      THR  24   9.807  -0.955  -5.679
  154   3HG2  THR  24          3HG2      THR  24   8.488  -0.980  -6.847
  155    H    MET  25           H        MET  25   7.094   0.252  -4.490
  156    HA   MET  25           HA       MET  25   4.825  -0.050  -6.318
  157   1HB   MET  25          2HB       MET  25   3.316   1.171  -4.938
  158   1HG   MET  25          2HG       MET  25   5.560   1.552  -2.971
  159   1HE   MET  25          1HE       MET  25   4.337   4.331  -1.892
  160   2HE   MET  25          2HE       MET  25   3.558   3.761  -0.416
  161   3HE   MET  25          3HE       MET  25   5.142   3.139  -0.868
  162    H    LYS  26           H        LYS  26   4.315   1.779  -7.501
  163    HA   LYS  26           HA       LYS  26   6.333   3.913  -7.473
  164   1HB   LYS  26          2HB       LYS  26   6.273   2.676  -9.556
  165   1HG   LYS  26          2HG       LYS  26   5.536   4.346 -11.213
  166   1HD   LYS  26          2HD       LYS  26   6.990   5.738  -8.980
  167   1HE   LYS  26          2HE       LYS  26   7.240   5.769 -11.986
  168   1HZ   LYS  26          1HZ       LYS  26   9.374   6.112 -10.745
  169   2HZ   LYS  26          2HZ       LYS  26   8.686   7.503 -10.063
  170   3HZ   LYS  26          3HZ       LYS  26   8.899   7.402 -11.737
  171    H    LYS  27           H        LYS  27   5.668   5.998  -7.164
  172    HA   LYS  27           HA       LYS  27   3.179   6.437  -5.955
  173   1HB   LYS  27          2HB       LYS  27   3.793   8.655  -5.656
  174   1HG   LYS  27          2HG       LYS  27   4.400   8.739  -8.322
  175   1HD   LYS  27          2HD       LYS  27   6.721   7.946  -7.603
  176   1HE   LYS  27          2HE       LYS  27   6.730  10.756  -6.528
  177   1HZ   LYS  27          1HZ       LYS  27   9.114   9.067  -6.422
  178   2HZ   LYS  27          2HZ       LYS  27   8.980  10.759  -6.496
  179   3HZ   LYS  27          3HZ       LYS  27   8.765   9.829  -7.898
  180    H    GLY  28           H        GLY  28   1.361   7.556  -6.628
  181   1HA   GLY  28          1HA       GLY  28  -0.035   8.576  -8.244
  182   2HA   GLY  28          2HA       GLY  28   1.083   8.057  -9.498
  183    H    ASP  29           H        ASP  29   1.105   5.332  -8.105
  184    HA   ASP  29           HA       ASP  29  -1.095   4.251  -9.631
  185   1HB   ASP  29          2HB       ASP  29   1.140   3.009  -8.044
  186    H    ILE  30           H        ILE  30  -2.860   3.161  -8.848
  187    HA   ILE  30           HA       ILE  30  -3.607   3.815  -6.095
  188    HB   ILE  30           HB       ILE  30  -5.353   2.611  -8.245
  189   1HG1  ILE  30          2HG1      ILE  30  -4.566   4.721  -9.101
  190   1HG2  ILE  30          1HG2      ILE  30  -7.190   3.521  -6.875
  191   2HG2  ILE  30          2HG2      ILE  30  -6.230   2.309  -6.023
  192   3HG2  ILE  30          3HG2      ILE  30  -6.006   4.024  -5.669
  193   1HD1  ILE  30          1HD1      ILE  30  -3.757   5.788  -7.085
  194   2HD1  ILE  30          2HD1      ILE  30  -4.890   6.835  -7.937
  195   3HD1  ILE  30          3HD1      ILE  30  -5.409   5.959  -6.495
  196    H    LEU  31           H        LEU  31  -3.306   2.316  -4.566
  197    HA   LEU  31           HA       LEU  31  -3.111  -0.497  -5.398
  198   1HB   LEU  31          2HB       LEU  31  -2.415   0.291  -2.630
  199    HG   LEU  31           HG       LEU  31  -1.189   2.078  -3.680
  200   1HD1  LEU  31          1HD1      LEU  31  -0.078   0.707  -1.958
  201   2HD1  LEU  31          2HD1      LEU  31   0.632  -0.276  -3.244
  202   3HD1  LEU  31          3HD1      LEU  31   1.060   1.431  -3.100
  203   1HD2  LEU  31          1HD2      LEU  31   0.313   1.786  -5.511
  204   2HD2  LEU  31          2HD2      LEU  31   0.052   0.040  -5.511
  205   3HD2  LEU  31          3HD2      LEU  31  -1.251   1.125  -5.999
  206    H    THR  32           H        THR  32  -4.106  -2.118  -4.016
  207    HA   THR  32           HA       THR  32  -6.658  -1.227  -2.941
  208    HB   THR  32           HB       THR  32  -5.539  -4.022  -3.268
  209    HG1  THR  32           1HG      THR  32  -6.612  -2.333  -5.032
  210   1HG2  THR  32          1HG2      THR  32  -8.290  -3.068  -2.450
  211   2HG2  THR  32          2HG2      THR  32  -7.150  -3.993  -1.468
  212   3HG2  THR  32          3HG2      THR  32  -7.892  -4.730  -2.887
  213    H    LEU  33           H        LEU  33  -7.070  -1.007  -0.814
  214    HA   LEU  33           HA       LEU  33  -4.948  -1.415   1.064
  215   1HB   LEU  33          2HB       LEU  33  -7.268   0.180   0.989
  216    HG   LEU  33           HG       LEU  33  -5.403   1.214   1.908
  217   1HD1  LEU  33          1HD1      LEU  33  -6.019   1.782   4.220
  218   2HD1  LEU  33          2HD1      LEU  33  -7.392   1.832   3.113
  219   3HD1  LEU  33          3HD1      LEU  33  -7.191   0.467   4.213
  220   1HD2  LEU  33          1HD2      LEU  33  -5.149  -1.063   3.871
  221   2HD2  LEU  33          2HD2      LEU  33  -4.141  -0.817   2.444
  222   3HD2  LEU  33          3HD2      LEU  33  -4.097   0.348   3.768
  223    H    LEU  34           H        LEU  34  -4.611  -3.104   2.303
  224    HA   LEU  34           HA       LEU  34  -6.668  -5.206   2.435
  225   1HB   LEU  34          2HB       LEU  34  -3.659  -5.347   2.445
  226    HG   LEU  34           HG       LEU  34  -4.596  -5.159   0.192
  227   1HD1  LEU  34          1HD1      LEU  34  -2.599  -6.551   0.628
  228   2HD1  LEU  34          2HD1      LEU  34  -3.649  -7.961   0.769
  229   3HD1  LEU  34          3HD1      LEU  34  -3.533  -7.098  -0.765
  230   1HD2  LEU  34          1HD2      LEU  34  -5.989  -7.000  -0.701
  231   2HD2  LEU  34          2HD2      LEU  34  -6.173  -7.622   0.939
  232   3HD2  LEU  34          3HD2      LEU  34  -6.817  -6.034   0.516
  233    H    ASN  35           H        ASN  35  -4.469  -3.212   4.239
  234    HA   ASN  35           HA       ASN  35  -5.753  -3.983   6.719
  235   1HB   ASN  35          2HB       ASN  35  -4.136  -5.522   7.142
  236   1HD2  ASN  35          1HD2      ASN  35  -1.722  -3.020   6.737
  237   2HD2  ASN  35          2HD2      ASN  35  -1.393  -2.823   8.421
  238    H    SER  36           H        SER  36  -5.954  -2.305   8.044
  239    HA   SER  36           HA       SER  36  -4.031  -0.101   7.871
  240   1HB   SER  36          2HB       SER  36  -5.946   1.527   8.043
  241    HG   SER  36           HG       SER  36  -7.507  -0.700   7.198
  242    H    THR  37           H        THR  37  -5.497  -2.366   9.724
  243    HA   THR  37           HA       THR  37  -6.093  -0.946  12.099
  244    HB   THR  37           HB       THR  37  -6.976  -3.179  11.782
  245    HG1  THR  37           1HG      THR  37  -6.347  -2.407  13.974
  246   1HG2  THR  37          1HG2      THR  37  -5.563  -5.172  11.850
  247   2HG2  THR  37          2HG2      THR  37  -4.124  -4.159  11.937
  248   3HG2  THR  37          3HG2      THR  37  -5.127  -4.142  10.487
  249    H    ASN  38           H        ASN  38  -3.144  -2.270  10.757
  250    HA   ASN  38           HA       ASN  38  -1.587  -1.707  13.132
  251   1HB   ASN  38          2HB       ASN  38  -1.077  -3.564  11.446
  252   1HD2  ASN  38          1HD2      ASN  38   1.536  -3.168  10.328
  253   2HD2  ASN  38          2HD2      ASN  38   2.620  -3.004  11.675
  254    H    LYS  39           H        LYS  39  -1.033   0.330  13.631
  255    HA   LYS  39           HA       LYS  39  -1.530   2.422  11.728
  256   1HB   LYS  39          2HB       LYS  39  -1.175   3.970  13.499
  257   1HG   LYS  39          2HG       LYS  39  -0.111   1.787  15.277
  258   1HD   LYS  39          2HD       LYS  39  -0.100   4.776  15.598
  259   1HE   LYS  39          2HE       LYS  39   1.659   3.558  16.813
  260   1HZ   LYS  39          1HZ       LYS  39   0.628   1.430  17.107
  261   2HZ   LYS  39          2HZ       LYS  39  -0.628   2.105  18.030
  262   3HZ   LYS  39          3HZ       LYS  39   0.952   2.081  18.638
  263    H    ASP  40           H        ASP  40   1.006   0.483  11.826
  264    HA   ASP  40           HA       ASP  40   2.899   2.652  11.181
  265   1HB   ASP  40          2HB       ASP  40   3.466   1.191  13.217
  266    H    TRP  41           H        TRP  41   2.534  -0.830  10.537
  267    HA   TRP  41           HA       TRP  41   3.275  -0.299   7.750
  268   1HB   TRP  41          2HB       TRP  41   3.331  -2.836   9.383
  269    HD1  TRP  41           HD       TRP  41   5.333  -2.128  10.921
  270    HE1  TRP  41           1HE      TRP  41   7.783  -1.512  10.470
  271    HE3  TRP  41           3HE      TRP  41   5.116  -1.628   5.839
  272    HZ2  TRP  41           2HZ      TRP  41   9.418  -0.888   8.242
  273    HZ3  TRP  41           3HZ      TRP  41   7.167  -1.024   4.626
  274    HH2  TRP  41           HH       TRP  41   9.271  -0.664   5.806
  275    H    TRP  42           H        TRP  42   1.706  -0.205   6.332
  276    HA   TRP  42           HA       TRP  42  -0.839  -1.532   6.889
  277   1HB   TRP  42          2HB       TRP  42  -0.003   0.581   4.919
  278    HD1  TRP  42           HD       TRP  42  -0.978   0.204   8.329
  279    HE1  TRP  42           1HE      TRP  42  -2.342   2.208   9.183
  280    HE3  TRP  42           3HE      TRP  42  -2.228   2.227   3.859
  281    HZ2  TRP  42           2HZ      TRP  42  -3.773   4.389   8.077
  282    HZ3  TRP  42           3HZ      TRP  42  -3.603   4.283   3.812
  283    HH2  TRP  42           HH       TRP  42  -4.357   5.340   5.885
  284    H    LYS  43           H        LYS  43  -1.881  -2.665   5.043
  285    HA   LYS  43           HA       LYS  43   0.142  -4.127   3.473
  286   1HB   LYS  43          2HB       LYS  43  -1.194  -5.424   5.295
  287   1HG   LYS  43          2HG       LYS  43  -1.308  -6.508   2.498
  288   1HD   LYS  43          2HD       LYS  43  -0.916  -7.903   5.152
  289   1HE   LYS  43          2HE       LYS  43  -1.259  -9.938   3.972
  290   1HZ   LYS  43          1HZ       LYS  43   0.523  -9.916   2.289
  291   2HZ   LYS  43          2HZ       LYS  43   0.999  -9.265   3.779
  292   3HZ   LYS  43          3HZ       LYS  43   0.651  -8.241   2.477
  293    H    VAL  44           H        VAL  44  -0.022  -3.872   1.387
  294    HA   VAL  44           HA       VAL  44  -2.606  -3.060   0.256
  295    HB   VAL  44           HB       VAL  44  -1.426  -1.486  -1.254
  296   1HG1  VAL  44          1HG1      VAL  44  -2.528  -0.636   0.746
  297   2HG1  VAL  44          2HG1      VAL  44  -1.061  -0.912   1.687
  298   3HG1  VAL  44          3HG1      VAL  44  -1.067   0.291   0.396
  299   1HG2  VAL  44          1HG2      VAL  44   0.945  -1.997   0.541
  300   2HG2  VAL  44          2HG2      VAL  44   0.794  -2.502  -1.142
  301   3HG2  VAL  44          3HG2      VAL  44   0.855  -0.787  -0.737
  302    H    GLU  45           H        GLU  45  -2.860  -3.586  -1.968
  303    HA   GLU  45           HA       GLU  45  -0.998  -5.676  -2.874
  304   1HB   GLU  45          2HB       GLU  45  -3.325  -6.423  -2.352
  305   1HG   GLU  45          2HG       GLU  45  -2.553  -6.632  -5.253
  306    H    VAL  46           H        VAL  46   0.195  -5.163  -4.529
  307    HA   VAL  46           HA       VAL  46  -0.768  -3.107  -6.410
  308    HB   VAL  46           HB       VAL  46   2.147  -3.430  -5.990
  309   1HG1  VAL  46          1HG1      VAL  46   1.935  -0.881  -6.231
  310   2HG1  VAL  46          2HG1      VAL  46   1.623  -1.890  -7.647
  311   3HG1  VAL  46          3HG1      VAL  46   0.280  -1.223  -6.727
  312   1HG2  VAL  46          1HG2      VAL  46   1.446  -3.358  -3.702
  313   2HG2  VAL  46          2HG2      VAL  46   2.132  -1.791  -4.131
  314   3HG2  VAL  46          3HG2      VAL  46   0.381  -1.990  -4.025
  315    H    ASN  47           H        ASN  47  -0.945  -3.856  -8.385
  316    HA   ASN  47           HA       ASN  47  -0.917  -5.147 -10.195
  317   1HB   ASN  47          2HB       ASN  47   1.166  -5.799 -11.200
  318   1HD2  ASN  47          1HD2      ASN  47   2.956  -3.903  -8.980
  319   2HD2  ASN  47          2HD2      ASN  47   4.044  -5.156  -8.470
  320    H    ASP  48           H        ASP  48   1.222  -7.075  -8.072
  321    HA   ASP  48           HA       ASP  48  -0.778  -9.120  -7.824
  322   1HB   ASP  48          2HB       ASP  48   0.184  -9.668 -10.029
  323    H    ARG  49           H        ARG  49   1.137  -7.239  -6.414
  324    HA   ARG  49           HA       ARG  49   2.421  -9.197  -4.628
  325   1HB   ARG  49          2HB       ARG  49   3.313  -6.407  -5.390
  326   1HG   ARG  49          2HG       ARG  49   5.065  -8.825  -5.450
  327   1HD   ARG  49          2HD       ARG  49   5.723  -7.440  -7.642
  328    HE   ARG  49           HE       ARG  49   6.808  -7.094  -4.937
  329   1HH1  ARG  49          2HH1      ARG  49   7.252  -6.893  -8.419
  330   2HH1  ARG  49          1HH1      ARG  49   8.983  -6.781  -8.299
  331   1HH2  ARG  49          2HH2      ARG  49   9.076  -6.933  -4.801
  332   2HH2  ARG  49          1HH2      ARG  49  10.016  -6.790  -6.261
  333    H    GLN  50           H        GLN  50   1.119  -9.386  -2.938
  334    HA   GLN  50           HA       GLN  50   0.020  -6.923  -1.767
  335   1HB   GLN  50          2HB       GLN  50  -1.452  -8.431  -0.430
  336   1HG   GLN  50          2HG       GLN  50  -1.518 -10.721  -1.997
  337   1HE2  GLN  50          1HE2      GLN  50  -3.063 -10.992  -0.383
  338   2HE2  GLN  50          2HE2      GLN  50  -2.620 -11.532   1.206
  339    H    GLY  51           H        GLY  51   1.239  -6.023  -0.313
  340   1HA   GLY  51          1HA       GLY  51   2.556  -7.662   1.707
  341   2HA   GLY  51          2HA       GLY  51   3.605  -6.771   0.609
  342    H    PHE  52           H        PHE  52   4.334  -5.803   2.664
  343    HA   PHE  52           HA       PHE  52   2.443  -3.882   3.786
  344   1HB   PHE  52          2HB       PHE  52   5.107  -4.904   4.743
  345    HD1  PHE  52           1HD      PHE  52   1.818  -3.935   6.189
  346    HD2  PHE  52           2HD      PHE  52   4.733  -6.984   5.640
  347    HE1  PHE  52           1HE      PHE  52   0.517  -5.431   7.640
  348    HE2  PHE  52           2HE      PHE  52   3.437  -8.486   7.094
  349    HZ   PHE  52           HZ       PHE  52   1.326  -7.706   8.097
  350    H    VAL  53           H        VAL  53   2.745  -1.757   3.873
  351    HA   VAL  53           HA       VAL  53   5.223  -0.558   2.841
  352    HB   VAL  53           HB       VAL  53   3.940   1.276   1.796
  353   1HG1  VAL  53          1HG1      VAL  53   3.216  -1.432   0.711
  354   2HG1  VAL  53          2HG1      VAL  53   3.174   0.087  -0.188
  355   3HG1  VAL  53          3HG1      VAL  53   4.713  -0.549   0.398
  356   1HG2  VAL  53          1HG2      VAL  53   1.519  -0.432   2.362
  357   2HG2  VAL  53          2HG2      VAL  53   1.892   1.133   3.088
  358   3HG2  VAL  53          3HG2      VAL  53   1.537   1.022   1.363
  359    HA   PRO  54           HA       PRO  54   4.693   1.973   6.489
  360   1HB   PRO  54          2HB       PRO  54   5.561   4.385   5.206
  361   1HG   PRO  54          2HG       PRO  54   7.126   3.653   3.728
  362   1HD   PRO  54          2HD       PRO  54   5.560   2.375   2.652
  363    H    ALA  55           H        ALA  55   2.963   2.975   7.303
  364    HA   ALA  55           HA       ALA  55   0.698   3.517   5.771
  365   1HB   ALA  55          1HB       ALA  55  -0.251   4.464   7.801
  366   2HB   ALA  55          2HB       ALA  55   0.646   2.990   8.165
  367   3HB   ALA  55          3HB       ALA  55   1.354   4.565   8.521
  368    H    ALA  56           H        ALA  56   3.374   5.562   6.611
  369    HA   ALA  56           HA       ALA  56   2.021   8.038   6.023
  370   1HB   ALA  56          1HB       ALA  56   3.802   7.936   7.685
  371   2HB   ALA  56          2HB       ALA  56   4.950   7.464   6.432
  372   3HB   ALA  56          3HB       ALA  56   4.205   9.061   6.388
  373    H    TYR  57           H        TYR  57   3.188   5.629   4.053
  374    HA   TYR  57           HA       TYR  57   4.285   7.464   2.044
  375   1HB   TYR  57          2HB       TYR  57   4.546   4.511   2.466
  376    HD1  TYR  57           1HD      TYR  57   7.036   5.092   0.403
  377    HD2  TYR  57           2HD      TYR  57   5.753   6.528   4.192
  378    HE1  TYR  57           1HE      TYR  57   9.348   5.716   0.941
  379    HE2  TYR  57           2HE      TYR  57   8.065   7.149   4.748
  380    HH   TYR  57           HH       TYR  57  10.484   7.416   2.491
  381    H    VAL  58           H        VAL  58   1.481   5.644   2.709
  382    HA   VAL  58           HA       VAL  58   0.510   6.216  -0.010
  383    HB   VAL  58           HB       VAL  58  -1.115   4.398   0.266
  384   1HG1  VAL  58          1HG1      VAL  58   0.499   2.515   0.161
  385   2HG1  VAL  58          2HG1      VAL  58   0.975   3.893  -0.831
  386   3HG1  VAL  58          3HG1      VAL  58   1.763   3.615   0.721
  387   1HG2  VAL  58          1HG2      VAL  58   0.332   3.838   2.857
  388   2HG2  VAL  58          2HG2      VAL  58  -1.321   4.438   2.699
  389   3HG2  VAL  58          3HG2      VAL  58  -0.912   2.820   2.128
  390    H    LYS  59           H        LYS  59  -1.691   6.947  -0.191
  391    HA   LYS  59           HA       LYS  59  -2.614   8.267   2.279
  392   1HB   LYS  59          2HB       LYS  59  -1.648   9.886   0.727
  393   1HG   LYS  59          2HG       LYS  59  -4.640  10.144   0.598
  394   1HD   LYS  59          2HD       LYS  59  -2.419  12.182   0.576
  395   1HE   LYS  59          2HE       LYS  59  -4.144  13.848   0.401
  396   1HZ   LYS  59          1HZ       LYS  59  -3.555  13.153   2.657
  397   2HZ   LYS  59          2HZ       LYS  59  -4.811  12.015   2.644
  398   3HZ   LYS  59          3HZ       LYS  59  -5.167  13.671   2.560
  399    H    LYS  60           H        LYS  60  -4.824   8.432   2.627
  400    HA   LYS  60           HA       LYS  60  -6.418   6.330   1.560
  401   1HB   LYS  60          2HB       LYS  60  -7.178   8.741   3.222
  402   1HG   LYS  60          2HG       LYS  60  -5.769   6.971   4.338
  403   1HD   LYS  60          2HD       LYS  60  -6.617   4.942   3.443
  404   1HE   LYS  60          2HE       LYS  60  -8.859   5.659   2.769
  405   1HZ   LYS  60          1HZ       LYS  60  -9.487   5.627   5.674
  406   2HZ   LYS  60          2HZ       LYS  60 -10.641   5.734   4.430
  407   3HZ   LYS  60          3HZ       LYS  60  -9.516   6.980   4.647
  408    H    LEU  61           H        LEU  61  -7.343   6.327  -0.377
  409    HA   LEU  61           HA       LEU  61  -8.341   8.822  -1.531
  410   1HB   LEU  61          2HB       LEU  61  -8.287   5.977  -2.551
  411    HG   LEU  61           HG       LEU  61  -6.086   7.247  -2.694
  412   1HD1  LEU  61          1HD1      LEU  61  -7.435   6.435  -5.271
  413   2HD1  LEU  61          2HD1      LEU  61  -5.698   6.551  -4.996
  414   3HD1  LEU  61          3HD1      LEU  61  -6.649   5.345  -4.130
  415   1HD2  LEU  61          1HD2      LEU  61  -6.898   9.470  -3.152
  416   2HD2  LEU  61          2HD2      LEU  61  -5.958   8.909  -4.531
  417   3HD2  LEU  61          3HD2      LEU  61  -7.720   8.916  -4.610
  418    H    ASP  62           H        ASP  62  -9.340   7.929   0.905
  419    HA   ASP  62           HA       ASP  62 -12.135   7.363   0.329
  420   1HB   ASP  62          2HB       ASP  62 -11.263   5.160   0.697
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  -8.972  -2.248  -6.779
    2   2H    MET   1          2H        MET   1  -7.591  -2.856  -6.006
    3   3H    MET   1          3H        MET   1  -9.071  -3.675  -5.867
    4    HA   MET   1           HA       MET   1  -7.563  -3.271  -8.380
    5   1HB   MET   1          2HB       MET   1  -6.249  -4.775  -7.219
    6   1HG   MET   1          2HG       MET   1  -6.644  -7.039  -7.938
    7   1HE   MET   1          1HE       MET   1  -4.508  -6.153  -9.240
    8   2HE   MET   1          2HE       MET   1  -4.589  -4.972 -10.544
    9   3HE   MET   1          3HE       MET   1  -5.042  -4.509  -8.904
   10    H    ASP   2           H        ASP   2  -9.910  -5.583  -6.957
   11    HA   ASP   2           HA       ASP   2 -11.855  -4.979  -9.021
   12   1HB   ASP   2          2HB       ASP   2 -10.171  -6.534 -10.142
   13    H    GLU   3           H        GLU   3 -11.671  -4.996  -6.156
   14    HA   GLU   3           HA       GLU   3 -13.116  -7.331  -5.201
   15   1HB   GLU   3          2HB       GLU   3 -12.428  -4.843  -3.607
   16   1HG   GLU   3          2HG       GLU   3 -10.504  -6.074  -2.695
   17    H    THR   4           H        THR   4 -14.405  -5.470  -7.110
   18    HA   THR   4           HA       THR   4 -16.474  -4.463  -7.486
   19    HB   THR   4           HB       THR   4 -17.142  -5.303  -4.645
   20    HG1  THR   4           1HG      THR   4 -16.817  -6.732  -6.889
   21   1HG2  THR   4          1HG2      THR   4 -19.474  -5.041  -5.356
   22   2HG2  THR   4          2HG2      THR   4 -18.930  -4.443  -6.926
   23   3HG2  THR   4          3HG2      THR   4 -18.601  -3.512  -5.464
   24    H    GLY   5           H        GLY   5 -14.636  -3.632  -4.631
   25   1HA   GLY   5          1HA       GLY   5 -14.198  -1.052  -5.012
   26   2HA   GLY   5          2HA       GLY   5 -15.867  -1.002  -4.449
   27    H    LYS   6           H        LYS   6 -13.706   0.198  -3.131
   28    HA   LYS   6           HA       LYS   6 -13.981  -0.713  -0.506
   29   1HB   LYS   6          2HB       LYS   6 -11.846  -1.681  -0.001
   30   1HG   LYS   6          2HG       LYS   6 -11.036  -1.629  -2.889
   31   1HD   LYS   6          2HD       LYS   6  -8.821  -2.081  -1.967
   32   1HE   LYS   6          2HE       LYS   6 -10.584  -3.959  -2.399
   33   1HZ   LYS   6          1HZ       LYS   6 -10.706  -5.381  -0.342
   34   2HZ   LYS   6          2HZ       LYS   6 -11.750  -4.051  -0.374
   35   3HZ   LYS   6          3HZ       LYS   6 -10.332  -3.996   0.562
   36    H    GLU   7           H        GLU   7 -11.514   0.109   0.545
   37    HA   GLU   7           HA       GLU   7 -11.923   2.923   0.492
   38   1HB   GLU   7          2HB       GLU   7  -9.869   1.180   1.816
   39   1HG   GLU   7          2HG       GLU   7 -11.876   1.292   3.099
   40    H    LEU   8           H        LEU   8  -9.142   0.939  -0.606
   41    HA   LEU   8           HA       LEU   8  -7.642   1.249  -2.287
   42   1HB   LEU   8          2HB       LEU   8  -9.697   3.207  -3.116
   43    HG   LEU   8           HG       LEU   8  -9.129   2.079  -5.364
   44   1HD1  LEU   8          1HD1      LEU   8  -8.280  -0.199  -3.638
   45   2HD1  LEU   8          2HD1      LEU   8  -8.302  -0.102  -5.390
   46   3HD1  LEU   8          3HD1      LEU   8  -7.143   0.863  -4.475
   47   1HD2  LEU   8          1HD2      LEU   8 -10.829   0.412  -5.033
   48   2HD2  LEU   8          2HD2      LEU   8 -10.629   0.524  -3.286
   49   3HD2  LEU   8          3HD2      LEU   8 -11.265   1.897  -4.189
   50    H    VAL   9           H        VAL   9  -5.648   2.150  -2.239
   51    HA   VAL   9           HA       VAL   9  -5.419   4.741  -0.872
   52    HB   VAL   9           HB       VAL   9  -3.120   3.938  -0.107
   53   1HG1  VAL   9          1HG1      VAL   9  -5.584   2.651   1.057
   54   2HG1  VAL   9          2HG1      VAL   9  -4.040   2.864   1.883
   55   3HG1  VAL   9          3HG1      VAL   9  -4.988   4.276   1.409
   56   1HG2  VAL   9          1HG2      VAL   9  -4.353   1.266  -0.768
   57   2HG2  VAL   9          2HG2      VAL   9  -2.914   1.972  -1.501
   58   3HG2  VAL   9          3HG2      VAL   9  -2.896   1.502   0.199
   59    H    LEU  10           H        LEU  10  -4.049   6.206  -1.664
   60    HA   LEU  10           HA       LEU  10  -3.017   5.681  -4.345
   61   1HB   LEU  10          2HB       LEU  10  -4.283   7.571  -4.503
   62    HG   LEU  10           HG       LEU  10  -1.605   8.628  -3.701
   63   1HD1  LEU  10          1HD1      LEU  10  -1.747   7.466  -5.828
   64   2HD1  LEU  10          2HD1      LEU  10  -3.073   8.518  -6.323
   65   3HD1  LEU  10          3HD1      LEU  10  -1.462   9.190  -6.069
   66   1HD2  LEU  10          1HD2      LEU  10  -4.001  10.216  -4.596
   67   2HD2  LEU  10          2HD2      LEU  10  -3.191  10.314  -3.031
   68   3HD2  LEU  10          3HD2      LEU  10  -2.350  10.834  -4.491
   69    H    ALA  11           H        ALA  11  -0.908   5.319  -4.615
   70    HA   ALA  11           HA       ALA  11   0.980   5.568  -2.508
   71   1HB   ALA  11          1HB       ALA  11   1.446   5.146  -5.462
   72   2HB   ALA  11          2HB       ALA  11   2.629   4.893  -4.177
   73   3HB   ALA  11          3HB       ALA  11   1.193   3.872  -4.268
   74    H    LEU  12           H        LEU  12   1.777   7.425  -1.794
   75    HA   LEU  12           HA       LEU  12   1.664   9.831  -3.388
   76   1HB   LEU  12          2HB       LEU  12   2.878   9.360  -0.660
   77    HG   LEU  12           HG       LEU  12   0.441   8.960  -0.603
   78   1HD1  LEU  12          1HD1      LEU  12   1.309  11.566   0.639
   79   2HD1  LEU  12          2HD1      LEU  12  -0.083  10.600   1.134
   80   3HD1  LEU  12          3HD1      LEU  12   1.547   9.953   1.319
   81   1HD2  LEU  12          1HD2      LEU  12   0.261  11.762  -1.711
   82   2HD2  LEU  12          2HD2      LEU  12  -0.228  10.278  -2.529
   83   3HD2  LEU  12          3HD2      LEU  12  -1.096  10.821  -1.091
   84    H    TYR  13           H        TYR  13   4.093   7.613  -2.217
   85    HA   TYR  13           HA       TYR  13   6.139   9.128  -3.674
   86   1HB   TYR  13          2HB       TYR  13   6.707   7.649  -1.109
   87    HD1  TYR  13           1HD      TYR  13   5.904   8.385   0.943
   88    HD2  TYR  13           2HD      TYR  13   6.164  11.144  -2.270
   89    HE1  TYR  13           1HE      TYR  13   4.908  10.123   2.368
   90    HE2  TYR  13           2HE      TYR  13   5.180  12.898  -0.865
   91    HH   TYR  13           HH       TYR  13   4.669  12.439   2.562
   92    H    ASP  14           H        ASP  14   7.953   7.780  -4.431
   93    HA   ASP  14           HA       ASP  14   7.107   5.132  -5.167
   94   1HB   ASP  14          2HB       ASP  14   9.246   5.039  -6.386
   95    H    TYR  15           H        TYR  15   7.755   3.250  -4.294
   96    HA   TYR  15           HA       TYR  15   9.551   3.442  -1.970
   97   1HB   TYR  15          2HB       TYR  15   7.134   3.377  -1.313
   98    HD1  TYR  15           1HD      TYR  15   9.104   3.544   0.474
   99    HD2  TYR  15           2HD      TYR  15   7.255  -0.066  -0.794
  100    HE1  TYR  15           1HE      TYR  15   9.831   2.451   2.542
  101    HE2  TYR  15           2HE      TYR  15   7.988  -1.174   1.256
  102    HH   TYR  15           HH       TYR  15   9.173   0.516   3.947
  103    H    GLN  16           H        GLN  16  11.080   1.933  -1.849
  104    HA   GLN  16           HA       GLN  16  10.844  -0.402  -3.616
  105   1HB   GLN  16          2HB       GLN  16  12.690   1.142  -4.207
  106   1HG   GLN  16          2HG       GLN  16  14.449  -0.413  -4.432
  107   1HE2  GLN  16          1HE2      GLN  16  12.122  -2.721  -3.275
  108   2HE2  GLN  16          2HE2      GLN  16  11.501  -3.184  -4.830
  109    H    GLU  17           H        GLU  17  10.271  -2.119  -2.523
  110    HA   GLU  17           HA       GLU  17  10.365  -2.526   0.213
  111   1HB   GLU  17          2HB       GLU  17   9.878  -4.843  -0.262
  112   1HG   GLU  17          2HG       GLU  17  10.949  -4.277  -3.004
  113    H    LYS  18           H        LYS  18  11.857  -3.204   1.627
  114    HA   LYS  18           HA       LYS  18  14.419  -4.175   0.564
  115   1HB   LYS  18          2HB       LYS  18  15.580  -3.059   2.209
  116   1HG   LYS  18          2HG       LYS  18  13.259  -3.472   3.927
  117   1HD   LYS  18          2HD       LYS  18  14.961  -1.015   4.296
  118   1HE   LYS  18          2HE       LYS  18  12.455  -1.985   5.655
  119   1HZ   LYS  18          1HZ       LYS  18  12.628  -0.049   7.013
  120   2HZ   LYS  18          2HZ       LYS  18  12.585   0.454   5.397
  121   3HZ   LYS  18          3HZ       LYS  18  14.057   0.442   6.241
  122    H    SER  19           H        SER  19  11.766  -5.450   1.648
  123    HA   SER  19           HA       SER  19  13.131  -7.798   2.621
  124   1HB   SER  19          2HB       SER  19  11.891  -8.009   4.692
  125    HG   SER  19           HG       SER  19  10.725  -5.469   4.315
  126    HA   PRO  20           HA       PRO  20   9.878  -9.737   0.270
  127   1HB   PRO  20          2HB       PRO  20   9.505 -12.048   1.687
  128   1HG   PRO  20          2HG       PRO  20  10.778 -11.498   3.553
  129   1HD   PRO  20          2HD       PRO  20  12.363  -9.801   3.514
  130    H    ALA  21           H        ALA  21   9.361  -8.501   3.312
  131    HA   ALA  21           HA       ALA  21   6.538  -9.299   3.365
  132   1HB   ALA  21          1HB       ALA  21   8.176  -7.839   5.434
  133   2HB   ALA  21          2HB       ALA  21   6.486  -8.305   5.605
  134   3HB   ALA  21          3HB       ALA  21   7.732  -9.544   5.473
  135    H    GLU  22           H        GLU  22   8.492  -6.959   2.131
  136    HA   GLU  22           HA       GLU  22   6.479  -4.827   2.313
  137   1HB   GLU  22          2HB       GLU  22   9.384  -4.823   1.496
  138   1HG   GLU  22          2HG       GLU  22   8.119  -3.098   3.570
  139    H    VAL  23           H        VAL  23   6.223  -3.545   0.221
  140    HA   VAL  23           HA       VAL  23   6.721  -5.240  -2.134
  141    HB   VAL  23           HB       VAL  23   4.634  -5.071  -3.014
  142   1HG1  VAL  23          1HG1      VAL  23   4.014  -4.705  -0.102
  143   2HG1  VAL  23          2HG1      VAL  23   2.894  -5.299  -1.327
  144   3HG1  VAL  23          3HG1      VAL  23   4.337  -6.230  -0.928
  145   1HG2  VAL  23          1HG2      VAL  23   4.239  -2.489  -1.532
  146   2HG2  VAL  23          2HG2      VAL  23   4.525  -2.700  -3.257
  147   3HG2  VAL  23          3HG2      VAL  23   3.013  -3.257  -2.539
  148    H    THR  24           H        THR  24   7.295  -4.201  -4.001
  149    HA   THR  24           HA       THR  24   8.201  -1.475  -3.827
  150    HB   THR  24           HB       THR  24   7.982  -3.173  -6.325
  151    HG1  THR  24           1HG      THR  24   9.213  -4.201  -4.588
  152   1HG2  THR  24          1HG2      THR  24   9.862  -1.769  -7.090
  153   2HG2  THR  24          2HG2      THR  24   9.755  -0.840  -5.597
  154   3HG2  THR  24          3HG2      THR  24   8.419  -0.816  -6.744
  155    H    MET  25           H        MET  25   7.144   0.330  -4.513
  156    HA   MET  25           HA       MET  25   4.847   0.050  -6.292
  157   1HB   MET  25          2HB       MET  25   3.329   1.246  -4.896
  158   1HG   MET  25          2HG       MET  25   5.576   1.580  -2.921
  159   1HE   MET  25          1HE       MET  25   4.266   4.327  -1.735
  160   2HE   MET  25          2HE       MET  25   3.575   3.663  -0.254
  161   3HE   MET  25          3HE       MET  25   5.168   3.136  -0.797
  162    H    LYS  26           H        LYS  26   4.274   2.014  -7.350
  163    HA   LYS  26           HA       LYS  26   6.283   4.139  -7.081
  164   1HB   LYS  26          2HB       LYS  26   5.010   3.068  -9.606
  165   1HG   LYS  26          2HG       LYS  26   7.002   1.824  -8.737
  166   1HD   LYS  26          2HD       LYS  26   8.429   4.399  -9.396
  167   1HE   LYS  26          2HE       LYS  26  10.439   3.243  -8.672
  168   1HZ   LYS  26          1HZ       LYS  26   9.089   1.571 -10.715
  169   2HZ   LYS  26          2HZ       LYS  26  10.753   1.844 -10.541
  170   3HZ   LYS  26          3HZ       LYS  26   9.734   3.101 -11.041
  171    H    LYS  27           H        LYS  27   5.571   6.213  -7.048
  172    HA   LYS  27           HA       LYS  27   2.972   6.598  -6.101
  173   1HB   LYS  27          2HB       LYS  27   3.520   8.791  -5.730
  174   1HG   LYS  27          2HG       LYS  27   3.924   9.231  -8.258
  175   1HD   LYS  27          2HD       LYS  27   6.050   7.985  -8.393
  176   1HE   LYS  27          2HE       LYS  27   6.965  10.102  -6.455
  177   1HZ   LYS  27          1HZ       LYS  27   8.589   8.251  -8.111
  178   2HZ   LYS  27          2HZ       LYS  27   9.180   9.088  -6.758
  179   3HZ   LYS  27          3HZ       LYS  27   8.638   9.946  -8.119
  180    H    GLY  28           H        GLY  28   1.215   7.683  -6.934
  181   1HA   GLY  28          1HA       GLY  28  -0.064   8.594  -8.729
  182   2HA   GLY  28          2HA       GLY  28   1.113   7.939  -9.859
  183    H    ASP  29           H        ASP  29   1.098   5.347  -8.319
  184    HA   ASP  29           HA       ASP  29  -1.135   4.175  -9.727
  185   1HB   ASP  29          2HB       ASP  29   1.104   3.031  -8.080
  186    H    ILE  30           H        ILE  30  -2.882   3.149  -8.848
  187    HA   ILE  30           HA       ILE  30  -3.546   3.881  -6.087
  188    HB   ILE  30           HB       ILE  30  -5.346   2.791  -8.258
  189   1HG1  ILE  30          2HG1      ILE  30  -4.543   4.974  -8.928
  190   1HG2  ILE  30          1HG2      ILE  30  -7.177   3.521  -6.817
  191   2HG2  ILE  30          2HG2      ILE  30  -6.156   2.327  -6.015
  192   3HG2  ILE  30          3HG2      ILE  30  -6.011   4.034  -5.597
  193   1HD1  ILE  30          1HD1      ILE  30  -3.825   5.867  -6.770
  194   2HD1  ILE  30          2HD1      ILE  30  -4.890   6.979  -7.627
  195   3HD1  ILE  30          3HD1      ILE  30  -5.512   6.021  -6.283
  196    H    LEU  31           H        LEU  31  -3.132   2.347  -4.616
  197    HA   LEU  31           HA       LEU  31  -2.924  -0.430  -5.539
  198   1HB   LEU  31          2HB       LEU  31  -2.225   0.280  -2.749
  199    HG   LEU  31           HG       LEU  31  -1.031   2.109  -3.728
  200   1HD1  LEU  31          1HD1      LEU  31   1.228   1.484  -3.226
  201   2HD1  LEU  31          2HD1      LEU  31   0.143   0.646  -2.114
  202   3HD1  LEU  31          3HD1      LEU  31   0.850  -0.222  -3.481
  203   1HD2  LEU  31          1HD2      LEU  31  -0.109   0.124  -5.787
  204   2HD2  LEU  31          2HD2      LEU  31  -1.099   1.552  -6.060
  205   3HD2  LEU  31          3HD2      LEU  31   0.592   1.727  -5.576
  206    H    THR  32           H        THR  32  -3.835  -2.125  -4.261
  207    HA   THR  32           HA       THR  32  -6.452  -1.472  -3.223
  208    HB   THR  32           HB       THR  32  -5.037  -4.149  -3.349
  209    HG1  THR  32           1HG      THR  32  -5.841  -4.392  -5.324
  210   1HG2  THR  32          1HG2      THR  32  -7.331  -5.066  -3.227
  211   2HG2  THR  32          2HG2      THR  32  -7.937  -3.431  -2.942
  212   3HG2  THR  32          3HG2      THR  32  -6.854  -4.191  -1.771
  213    H    LEU  33           H        LEU  33  -6.972  -1.289  -1.091
  214    HA   LEU  33           HA       LEU  33  -4.849  -1.588   0.838
  215   1HB   LEU  33          2HB       LEU  33  -7.101   0.074   0.659
  216    HG   LEU  33           HG       LEU  33  -5.252   1.071   1.635
  217   1HD1  LEU  33          1HD1      LEU  33  -7.260   1.714   2.808
  218   2HD1  LEU  33          2HD1      LEU  33  -7.079   0.354   3.916
  219   3HD1  LEU  33          3HD1      LEU  33  -5.896   1.660   3.926
  220   1HD2  LEU  33          1HD2      LEU  33  -4.017  -0.950   2.199
  221   2HD2  LEU  33          2HD2      LEU  33  -4.031   0.171   3.562
  222   3HD2  LEU  33          3HD2      LEU  33  -5.089  -1.240   3.570
  223    H    LEU  34           H        LEU  34  -4.611  -3.209   2.184
  224    HA   LEU  34           HA       LEU  34  -6.699  -5.281   2.294
  225   1HB   LEU  34          2HB       LEU  34  -3.698  -5.437   2.528
  226    HG   LEU  34           HG       LEU  34  -4.518  -5.351   0.197
  227   1HD1  LEU  34          1HD1      LEU  34  -3.495  -8.066   1.000
  228   2HD1  LEU  34          2HD1      LEU  34  -3.330  -7.298  -0.579
  229   3HD1  LEU  34          3HD1      LEU  34  -2.501  -6.619   0.821
  230   1HD2  LEU  34          1HD2      LEU  34  -6.028  -7.839   0.982
  231   2HD2  LEU  34          2HD2      LEU  34  -6.718  -6.301   0.463
  232   3HD2  LEU  34          3HD2      LEU  34  -5.792  -7.279  -0.673
  233    H    ASN  35           H        ASN  35  -4.507  -3.283   4.115
  234    HA   ASN  35           HA       ASN  35  -5.955  -3.845   6.561
  235   1HB   ASN  35          2HB       ASN  35  -4.434  -5.460   7.087
  236   1HD2  ASN  35          1HD2      ASN  35  -1.898  -3.060   6.831
  237   2HD2  ASN  35          2HD2      ASN  35  -1.704  -2.829   8.530
  238    H    SER  36           H        SER  36  -6.164  -2.073   7.730
  239    HA   SER  36           HA       SER  36  -4.135   0.035   7.491
  240   1HB   SER  36          2HB       SER  36  -6.102   1.672   7.672
  241    HG   SER  36           HG       SER  36  -8.019   0.839   7.722
  242    H    THR  37           H        THR  37  -5.259  -2.164   9.453
  243    HA   THR  37           HA       THR  37  -5.894  -0.476  11.739
  244    HB   THR  37           HB       THR  37  -7.265  -2.496  11.298
  245    HG1  THR  37           1HG      THR  37  -5.815  -2.272  13.732
  246   1HG2  THR  37          1HG2      THR  37  -5.518  -3.993  10.475
  247   2HG2  THR  37          2HG2      THR  37  -6.348  -4.711  11.857
  248   3HG2  THR  37          3HG2      THR  37  -4.752  -3.989  12.063
  249    H    ASN  38           H        ASN  38  -3.122  -1.431  10.338
  250    HA   ASN  38           HA       ASN  38  -1.704  -1.777  12.888
  251   1HB   ASN  38          2HB       ASN  38  -1.221  -3.383  10.988
  252   1HD2  ASN  38          1HD2      ASN  38   1.453  -3.104  10.044
  253   2HD2  ASN  38          2HD2      ASN  38   2.491  -3.178  11.434
  254    H    LYS  39           H        LYS  39  -0.811  -0.066  13.778
  255    HA   LYS  39           HA       LYS  39  -1.070   2.500  12.664
  256   1HB   LYS  39          2HB       LYS  39  -0.025   3.337  14.645
  257   1HG   LYS  39          2HG       LYS  39   0.945   0.564  15.315
  258   1HD   LYS  39          2HD       LYS  39   1.499   3.232  16.590
  259   1HE   LYS  39          2HE       LYS  39   2.565   1.890  18.337
  260   1HZ   LYS  39          1HZ       LYS  39   3.672   1.366  15.627
  261   2HZ   LYS  39          2HZ       LYS  39   4.514   1.156  17.082
  262   3HZ   LYS  39          3HZ       LYS  39   4.011   2.706  16.615
  263    H    ASP  40           H        ASP  40   1.355   0.205  12.065
  264    HA   ASP  40           HA       ASP  40   3.282   2.322  11.362
  265   1HB   ASP  40          2HB       ASP  40   3.898  -0.572  11.989
  266    H    TRP  41           H        TRP  41   2.558  -1.034  10.447
  267    HA   TRP  41           HA       TRP  41   3.278  -0.332   7.688
  268   1HB   TRP  41          2HB       TRP  41   3.474  -2.940   9.192
  269    HD1  TRP  41           HD       TRP  41   5.385  -1.910  10.768
  270    HE1  TRP  41           1HE      TRP  41   7.845  -1.324  10.316
  271    HE3  TRP  41           3HE      TRP  41   5.291  -1.930   5.658
  272    HZ2  TRP  41           2HZ      TRP  41   9.525  -0.931   8.092
  273    HZ3  TRP  41           3HZ      TRP  41   7.377  -1.442   4.445
  274    HH2  TRP  41           HH       TRP  41   9.450  -0.951   5.640
  275    H    TRP  42           H        TRP  42   1.611  -0.125   6.396
  276    HA   TRP  42           HA       TRP  42  -0.874  -1.540   6.925
  277   1HB   TRP  42          2HB       TRP  42  -0.043   0.604   4.994
  278    HD1  TRP  42           HD       TRP  42  -1.027   0.165   8.371
  279    HE1  TRP  42           1HE      TRP  42  -2.456   2.115   9.249
  280    HE3  TRP  42           3HE      TRP  42  -2.359   2.188   3.924
  281    HZ2  TRP  42           2HZ      TRP  42  -3.967   4.250   8.164
  282    HZ3  TRP  42           3HZ      TRP  42  -3.807   4.195   3.898
  283    HH2  TRP  42           HH       TRP  42  -4.592   5.201   5.986
  284    H    LYS  43           H        LYS  43  -1.938  -2.663   5.071
  285    HA   LYS  43           HA       LYS  43   0.092  -4.202   3.590
  286   1HB   LYS  43          2HB       LYS  43  -1.391  -5.346   5.431
  287   1HG   LYS  43          2HG       LYS  43  -1.251  -6.621   2.718
  288   1HD   LYS  43          2HD       LYS  43  -1.147  -7.839   5.492
  289   1HE   LYS  43          2HE       LYS  43  -1.317  -9.043   2.740
  290   1HZ   LYS  43          1HZ       LYS  43  -1.824 -10.490   5.272
  291   2HZ   LYS  43          2HZ       LYS  43  -1.992 -11.073   3.687
  292   3HZ   LYS  43          3HZ       LYS  43  -3.077  -9.913   4.286
  293    H    VAL  44           H        VAL  44   0.010  -3.983   1.476
  294    HA   VAL  44           HA       VAL  44  -2.504  -3.041   0.276
  295    HB   VAL  44           HB       VAL  44  -1.176  -1.630  -1.281
  296   1HG1  VAL  44          1HG1      VAL  44  -0.750   0.182   0.294
  297   2HG1  VAL  44          2HG1      VAL  44  -2.258  -0.647   0.684
  298   3HG1  VAL  44          3HG1      VAL  44  -0.806  -0.957   1.637
  299   1HG2  VAL  44          1HG2      VAL  44   0.962  -2.831  -1.034
  300   2HG2  VAL  44          2HG2      VAL  44   1.135  -1.096  -0.769
  301   3HG2  VAL  44          3HG2      VAL  44   1.110  -2.199   0.607
  302    H    GLU  45           H        GLU  45  -2.629  -3.381  -2.019
  303    HA   GLU  45           HA       GLU  45  -1.060  -5.689  -2.963
  304   1HB   GLU  45          2HB       GLU  45  -3.311  -6.421  -2.479
  305   1HG   GLU  45          2HG       GLU  45  -2.755  -6.076  -5.401
  306    H    VAL  46           H        VAL  46   0.240  -5.027  -4.520
  307    HA   VAL  46           HA       VAL  46  -0.691  -2.910  -6.345
  308    HB   VAL  46           HB       VAL  46   2.184  -3.668  -6.129
  309   1HG1  VAL  46          1HG1      VAL  46   0.915  -0.987  -6.512
  310   2HG1  VAL  46          2HG1      VAL  46   2.584  -1.436  -6.822
  311   3HG1  VAL  46          3HG1      VAL  46   1.293  -2.070  -7.846
  312   1HG2  VAL  46          1HG2      VAL  46   0.719  -1.913  -4.180
  313   2HG2  VAL  46          2HG2      VAL  46   1.625  -3.381  -3.825
  314   3HG2  VAL  46          3HG2      VAL  46   2.472  -1.933  -4.369
  315    H    ASN  47           H        ASN  47  -1.363  -3.718  -8.179
  316    HA   ASN  47           HA       ASN  47  -1.827  -5.049  -9.898
  317   1HB   ASN  47          2HB       ASN  47  -0.084  -5.864 -11.310
  318   1HD2  ASN  47          1HD2      ASN  47   2.316  -4.108  -9.676
  319   2HD2  ASN  47          2HD2      ASN  47   3.387  -5.439  -9.371
  320    H    ASP  48           H        ASP  48   0.546  -7.007  -8.117
  321    HA   ASP  48           HA       ASP  48  -1.487  -8.958  -7.483
  322   1HB   ASP  48          2HB       ASP  48  -0.827  -9.794  -9.647
  323    H    ARG  49           H        ARG  49   1.182  -7.202  -6.814
  324    HA   ARG  49           HA       ARG  49   2.479  -9.095  -5.020
  325   1HB   ARG  49          2HB       ARG  49   3.883  -7.774  -6.547
  326   1HG   ARG  49          2HG       ARG  49   4.360  -6.609  -3.832
  327   1HD   ARG  49          2HD       ARG  49   6.721  -6.939  -4.458
  328    HE   ARG  49           HE       ARG  49   5.675  -4.790  -5.167
  329   1HH1  ARG  49          2HH1      ARG  49   6.705  -7.141  -7.550
  330   2HH1  ARG  49          1HH1      ARG  49   6.904  -5.955  -8.813
  331   1HH2  ARG  49          2HH2      ARG  49   5.900  -3.235  -6.834
  332   2HH2  ARG  49          1HH2      ARG  49   6.461  -3.743  -8.407
  333    H    GLN  50           H        GLN  50   1.247  -9.259  -3.228
  334    HA   GLN  50           HA       GLN  50   0.393  -6.793  -1.911
  335   1HB   GLN  50          2HB       GLN  50  -0.944  -8.381  -0.442
  336   1HG   GLN  50          2HG       GLN  50  -1.477 -10.507  -1.955
  337   1HE2  GLN  50          1HE2      GLN  50  -2.172 -10.985   0.136
  338   2HE2  GLN  50          2HE2      GLN  50  -1.094 -11.632   1.329
  339    H    GLY  51           H        GLY  51   0.851  -6.397   0.248
  340   1HA   GLY  51          1HA       GLY  51   2.383  -7.855   2.010
  341   2HA   GLY  51          2HA       GLY  51   3.537  -7.059   0.942
  342    H    PHE  52           H        PHE  52   4.300  -5.829   2.768
  343    HA   PHE  52           HA       PHE  52   2.349  -3.924   3.845
  344   1HB   PHE  52          2HB       PHE  52   4.947  -4.978   4.953
  345    HD1  PHE  52           1HD      PHE  52   1.839  -3.918   6.638
  346    HD2  PHE  52           2HD      PHE  52   4.233  -7.186   5.337
  347    HE1  PHE  52           1HE      PHE  52   0.450  -5.460   7.960
  348    HE2  PHE  52           2HE      PHE  52   2.849  -8.731   6.655
  349    HZ   PHE  52           HZ       PHE  52   0.928  -7.839   7.979
  350    H    VAL  53           H        VAL  53   2.736  -1.803   4.006
  351    HA   VAL  53           HA       VAL  53   5.247  -0.651   3.012
  352    HB   VAL  53           HB       VAL  53   3.991   1.164   1.868
  353   1HG1  VAL  53          1HG1      VAL  53   4.905  -0.647   0.554
  354   2HG1  VAL  53          2HG1      VAL  53   3.441  -1.599   0.816
  355   3HG1  VAL  53          3HG1      VAL  53   3.367  -0.109  -0.126
  356   1HG2  VAL  53          1HG2      VAL  53   1.626   0.796   1.282
  357   2HG2  VAL  53          2HG2      VAL  53   1.599  -0.609   2.346
  358   3HG2  VAL  53          3HG2      VAL  53   1.871   1.000   3.016
  359    HA   PRO  54           HA       PRO  54   4.726   2.041   6.548
  360   1HB   PRO  54          2HB       PRO  54   5.568   4.442   5.517
  361   1HG   PRO  54          2HG       PRO  54   5.837   3.837   3.300
  362   1HD   PRO  54          2HD       PRO  54   5.771   1.637   2.621
  363    H    ALA  55           H        ALA  55   2.932   2.940   7.327
  364    HA   ALA  55           HA       ALA  55   0.669   3.442   5.768
  365   1HB   ALA  55          1HB       ALA  55   1.270   4.443   8.551
  366   2HB   ALA  55          2HB       ALA  55  -0.325   4.320   7.807
  367   3HB   ALA  55          3HB       ALA  55   0.606   2.861   8.146
  368    H    ALA  56           H        ALA  56   3.337   5.491   6.457
  369    HA   ALA  56           HA       ALA  56   1.838   7.940   5.965
  370   1HB   ALA  56          1HB       ALA  56   3.927   9.075   6.568
  371   2HB   ALA  56          2HB       ALA  56   3.416   7.931   7.811
  372   3HB   ALA  56          3HB       ALA  56   4.725   7.508   6.706
  373    H    TYR  57           H        TYR  57   3.035   5.681   3.993
  374    HA   TYR  57           HA       TYR  57   4.160   7.616   2.084
  375   1HB   TYR  57          2HB       TYR  57   4.633   4.717   2.511
  376    HD1  TYR  57           1HD      TYR  57   6.860   5.091   0.241
  377    HD2  TYR  57           2HD      TYR  57   5.861   7.113   3.847
  378    HE1  TYR  57           1HE      TYR  57   9.189   5.849   0.452
  379    HE2  TYR  57           2HE      TYR  57   8.191   7.870   4.072
  380    HH   TYR  57           HH       TYR  57  10.493   7.529   1.516
  381    H    VAL  58           H        VAL  58   1.467   5.624   2.704
  382    HA   VAL  58           HA       VAL  58   0.437   6.221   0.021
  383    HB   VAL  58           HB       VAL  58  -1.192   4.404   0.367
  384   1HG1  VAL  58          1HG1      VAL  58   0.409   2.530   0.169
  385   2HG1  VAL  58          2HG1      VAL  58   0.876   3.922  -0.812
  386   3HG1  VAL  58          3HG1      VAL  58   1.701   3.602   0.717
  387   1HG2  VAL  58          1HG2      VAL  58  -0.902   2.826   2.222
  388   2HG2  VAL  58          2HG2      VAL  58   0.365   3.851   2.896
  389   3HG2  VAL  58          3HG2      VAL  58  -1.296   4.441   2.810
  390    H    LYS  59           H        LYS  59  -1.746   6.955  -0.137
  391    HA   LYS  59           HA       LYS  59  -2.695   8.251   2.336
  392   1HB   LYS  59          2HB       LYS  59  -1.879   9.962   0.885
  393   1HG   LYS  59          2HG       LYS  59  -4.870   9.798   0.591
  394   1HD   LYS  59          2HD       LYS  59  -3.115  12.225   0.296
  395   1HE   LYS  59          2HE       LYS  59  -5.126  13.278  -0.557
  396   1HZ   LYS  59          1HZ       LYS  59  -5.867  11.911   1.967
  397   2HZ   LYS  59          2HZ       LYS  59  -6.352  13.447   1.431
  398   3HZ   LYS  59          3HZ       LYS  59  -4.744  13.182   1.901
  399    H    LYS  60           H        LYS  60  -4.820   8.139   2.812
  400    HA   LYS  60           HA       LYS  60  -6.511   6.246   1.563
  401   1HB   LYS  60          2HB       LYS  60  -7.165   8.573   3.391
  402   1HG   LYS  60          2HG       LYS  60  -5.908   6.682   4.437
  403   1HD   LYS  60          2HD       LYS  60  -6.736   4.752   3.321
  404   1HE   LYS  60          2HE       LYS  60  -8.957   5.672   2.657
  405   1HZ   LYS  60          1HZ       LYS  60 -10.805   5.386   4.221
  406   2HZ   LYS  60          2HZ       LYS  60  -9.711   6.577   4.742
  407   3HZ   LYS  60          3HZ       LYS  60  -9.698   5.039   5.462
  408    H    LEU  61           H        LEU  61  -7.572   6.434  -0.322
  409    HA   LEU  61           HA       LEU  61  -7.914   9.037  -1.537
  410   1HB   LEU  61          2HB       LEU  61  -8.616   6.235  -2.369
  411    HG   LEU  61           HG       LEU  61  -6.214   7.203  -2.695
  412   1HD1  LEU  61          1HD1      LEU  61  -7.798   6.093  -5.019
  413   2HD1  LEU  61          2HD1      LEU  61  -6.044   6.058  -4.854
  414   3HD1  LEU  61          3HD1      LEU  61  -7.053   5.146  -3.731
  415   1HD2  LEU  61          1HD2      LEU  61  -5.985   8.497  -4.779
  416   2HD2  LEU  61          2HD2      LEU  61  -7.740   8.640  -4.876
  417   3HD2  LEU  61          3HD2      LEU  61  -6.863   9.387  -3.541
  418    H    ASP  62           H        ASP  62  -9.239   8.207   0.996
  419    HA   ASP  62           HA       ASP  62 -11.945   9.072   0.278
  420   1HB   ASP  62          2HB       ASP  62 -12.108   6.708   0.861
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1  -9.734 -10.306  -4.199
    2   2H    MET   1          2H        MET   1  -9.697 -11.996  -4.199
    3   3H    MET   1          3H        MET   1  -8.246 -11.114  -4.196
    4    HA   MET   1           HA       MET   1  -8.658 -12.001  -2.026
    5   1HB   MET   1          2HB       MET   1  -7.536  -9.829  -2.205
    6   1HG   MET   1          2HG       MET   1  -7.856  -8.920  -0.054
    7   1HE   MET   1          1HE       MET   1  -5.642 -10.358   0.140
    8   2HE   MET   1          2HE       MET   1  -5.629 -12.118   0.221
    9   3HE   MET   1          3HE       MET   1  -6.182 -11.304  -1.246
   10    H    ASP   2           H        ASP   2 -10.809  -9.296  -1.619
   11    HA   ASP   2           HA       ASP   2 -13.267 -10.677  -1.650
   12   1HB   ASP   2          2HB       ASP   2 -13.771 -10.914   0.677
   13    H    GLU   3           H        GLU   3 -11.439  -8.118  -0.002
   14    HA   GLU   3           HA       GLU   3 -11.389  -5.898  -0.519
   15   1HB   GLU   3          2HB       GLU   3 -13.236  -6.777  -2.728
   16   1HG   GLU   3          2HG       GLU   3 -10.458  -5.644  -2.964
   17    H    THR   4           H        THR   4 -13.860  -7.272   1.051
   18    HA   THR   4           HA       THR   4 -15.872  -5.360   1.119
   19    HB   THR   4           HB       THR   4 -15.001  -6.623   3.701
   20    HG1  THR   4           1HG      THR   4 -15.338  -8.592   2.954
   21   1HG2  THR   4          1HG2      THR   4 -17.418  -6.911   3.963
   22   2HG2  THR   4          2HG2      THR   4 -17.679  -6.239   2.354
   23   3HG2  THR   4          3HG2      THR   4 -17.013  -5.228   3.637
   24    H    GLY   5           H        GLY   5 -12.630  -5.203   2.466
   25   1HA   GLY   5          1HA       GLY   5 -13.268  -2.487   3.466
   26   2HA   GLY   5          2HA       GLY   5 -11.991  -3.502   4.133
   27    H    LYS   6           H        LYS   6 -13.054  -2.098   1.077
   28    HA   LYS   6           HA       LYS   6 -10.482  -2.489  -0.139
   29   1HB   LYS   6          2HB       LYS   6 -12.290  -2.625  -1.680
   30   1HG   LYS   6          2HG       LYS   6 -11.859  -0.874  -3.321
   31   1HD   LYS   6          2HD       LYS   6  -9.441  -1.222  -3.570
   32   1HE   LYS   6          2HE       LYS   6  -9.572  -3.634  -3.801
   33   1HZ   LYS   6          1HZ       LYS   6 -10.858  -2.335  -5.394
   34   2HZ   LYS   6          2HZ       LYS   6 -12.219  -2.399  -4.380
   35   3HZ   LYS   6          3HZ       LYS   6 -11.608  -3.823  -5.071
   36    H    GLU   7           H        GLU   7 -12.209   0.525   0.014
   37    HA   GLU   7           HA       GLU   7 -11.636   2.624   0.616
   38   1HB   GLU   7          2HB       GLU   7  -9.555   1.096   1.997
   39   1HG   GLU   7          2HG       GLU   7  -9.878   2.974   3.671
   40    H    LEU   8           H        LEU   8  -9.037   0.809  -0.992
   41    HA   LEU   8           HA       LEU   8  -7.477   1.374  -2.523
   42   1HB   LEU   8          2HB       LEU   8  -9.532   3.463  -3.225
   43    HG   LEU   8           HG       LEU   8 -10.144   1.104  -3.792
   44   1HD1  LEU   8          1HD1      LEU   8 -10.731   1.581  -6.117
   45   2HD1  LEU   8          2HD1      LEU   8 -11.022   2.975  -5.078
   46   3HD1  LEU   8          3HD1      LEU   8  -9.604   2.937  -6.123
   47   1HD2  LEU   8          1HD2      LEU   8  -7.937   0.192  -4.188
   48   2HD2  LEU   8          2HD2      LEU   8  -8.910   0.036  -5.650
   49   3HD2  LEU   8          3HD2      LEU   8  -7.688   1.303  -5.534
   50    H    VAL   9           H        VAL   9  -5.563   2.155  -1.998
   51    HA   VAL   9           HA       VAL   9  -5.466   4.827  -0.776
   52    HB   VAL   9           HB       VAL   9  -3.185   4.097   0.103
   53   1HG1  VAL   9          1HG1      VAL   9  -5.684   2.771   1.174
   54   2HG1  VAL   9          2HG1      VAL   9  -4.170   2.942   2.058
   55   3HG1  VAL   9          3HG1      VAL   9  -5.084   4.375   1.587
   56   1HG2  VAL   9          1HG2      VAL   9  -2.840   1.699   0.402
   57   2HG2  VAL   9          2HG2      VAL   9  -4.312   1.365  -0.511
   58   3HG2  VAL   9          3HG2      VAL   9  -2.929   2.116  -1.309
   59    H    LEU  10           H        LEU  10  -3.939   6.264  -1.463
   60    HA   LEU  10           HA       LEU  10  -2.991   5.754  -4.185
   61   1HB   LEU  10          2HB       LEU  10  -4.319   7.635  -4.233
   62    HG   LEU  10           HG       LEU  10  -1.589   8.748  -3.693
   63   1HD1  LEU  10          1HD1      LEU  10  -1.555   9.049  -6.126
   64   2HD1  LEU  10          2HD1      LEU  10  -1.740   7.357  -5.665
   65   3HD1  LEU  10          3HD1      LEU  10  -3.136   8.275  -6.230
   66   1HD2  LEU  10          1HD2      LEU  10  -3.247  10.444  -3.168
   67   2HD2  LEU  10          2HD2      LEU  10  -2.407  10.838  -4.666
   68   3HD2  LEU  10          3HD2      LEU  10  -4.038  10.172  -4.720
   69    H    ALA  11           H        ALA  11  -0.894   5.355  -4.488
   70    HA   ALA  11           HA       ALA  11   1.052   5.634  -2.427
   71   1HB   ALA  11          1HB       ALA  11   2.650   4.908  -4.142
   72   2HB   ALA  11          2HB       ALA  11   1.210   3.890  -4.131
   73   3HB   ALA  11          3HB       ALA  11   1.413   5.114  -5.384
   74    H    LEU  12           H        LEU  12   1.690   7.586  -1.757
   75    HA   LEU  12           HA       LEU  12   1.692   9.877  -3.515
   76   1HB   LEU  12          2HB       LEU  12   2.840   9.692  -0.731
   77    HG   LEU  12           HG       LEU  12   0.432   8.991  -0.682
   78   1HD1  LEU  12          1HD1      LEU  12   1.476  10.109   1.218
   79   2HD1  LEU  12          2HD1      LEU  12   1.057  11.680   0.534
   80   3HD1  LEU  12          3HD1      LEU  12  -0.217  10.578   1.054
   81   1HD2  LEU  12          1HD2      LEU  12  -1.281  10.634  -1.205
   82   2HD2  LEU  12          2HD2      LEU  12  -0.048  11.782  -1.732
   83   3HD2  LEU  12          3HD2      LEU  12  -0.307  10.290  -2.637
   84    H    TYR  13           H        TYR  13   4.059   7.787  -1.983
   85    HA   TYR  13           HA       TYR  13   6.180   9.179  -3.474
   86   1HB   TYR  13          2HB       TYR  13   6.706   7.668  -0.920
   87    HD1  TYR  13           1HD      TYR  13   6.135   8.366   1.189
   88    HD2  TYR  13           2HD      TYR  13   5.798  11.142  -2.012
   89    HE1  TYR  13           1HE      TYR  13   5.130  10.001   2.722
   90    HE2  TYR  13           2HE      TYR  13   4.802  12.788  -0.492
   91    HH   TYR  13           HH       TYR  13   3.569  12.823   1.622
   92    H    ASP  14           H        ASP  14   7.937   7.792  -4.203
   93    HA   ASP  14           HA       ASP  14   6.969   5.160  -4.924
   94   1HB   ASP  14          2HB       ASP  14   9.188   5.022  -6.164
   95    H    TYR  15           H        TYR  15   7.754   3.246  -4.193
   96    HA   TYR  15           HA       TYR  15   9.608   3.414  -1.921
   97   1HB   TYR  15          2HB       TYR  15   7.244   3.482  -1.135
   98    HD1  TYR  15           1HD      TYR  15   9.039   3.605   0.698
   99    HD2  TYR  15           2HD      TYR  15   7.400  -0.043  -0.744
  100    HE1  TYR  15           1HE      TYR  15   9.780   2.463   2.739
  101    HE2  TYR  15           2HE      TYR  15   8.154  -1.191   1.275
  102    HH   TYR  15           HH       TYR  15   9.263   0.501   4.049
  103    H    GLN  16           H        GLN  16  11.084   1.849  -1.873
  104    HA   GLN  16           HA       GLN  16  10.683  -0.503  -3.590
  105   1HB   GLN  16          2HB       GLN  16  12.992   1.133  -2.995
  106   1HG   GLN  16          2HG       GLN  16  12.524   0.560  -5.258
  107   1HE2  GLN  16          1HE2      GLN  16  12.525  -2.279  -3.231
  108   2HE2  GLN  16          2HE2      GLN  16  11.940  -3.378  -4.439
  109    H    GLU  17           H        GLU  17  10.316  -2.403  -2.690
  110    HA   GLU  17           HA       GLU  17  10.253  -2.734   0.139
  111   1HB   GLU  17          2HB       GLU  17   9.532  -4.978  -0.293
  112   1HG   GLU  17          2HG       GLU  17  10.614  -4.598  -3.059
  113    H    LYS  18           H        LYS  18  11.857  -3.255   1.457
  114    HA   LYS  18           HA       LYS  18  14.408  -4.097   0.331
  115   1HB   LYS  18          2HB       LYS  18  13.676  -3.480   3.208
  116   1HG   LYS  18          2HG       LYS  18  15.064  -1.725   1.187
  117   1HD   LYS  18          2HD       LYS  18  14.906  -0.026   2.979
  118   1HE   LYS  18          2HE       LYS  18  16.398  -2.537   3.735
  119   1HZ   LYS  18          1HZ       LYS  18  17.845  -1.016   4.963
  120   2HZ   LYS  18          2HZ       LYS  18  16.275  -1.036   5.599
  121   3HZ   LYS  18          3HZ       LYS  18  16.782   0.267   4.640
  122    H    SER  19           H        SER  19  11.649  -5.513   1.540
  123    HA   SER  19           HA       SER  19  12.968  -8.096   1.751
  124   1HB   SER  19          2HB       SER  19  11.835  -8.624   3.870
  125    HG   SER  19           HG       SER  19  10.998  -5.901   3.877
  126    HA   PRO  20           HA       PRO  20   9.443  -9.370  -0.634
  127   1HB   PRO  20          2HB       PRO  20   8.996 -11.881   0.410
  128   1HG   PRO  20          2HG       PRO  20  10.508 -11.795   2.164
  129   1HD   PRO  20          2HD       PRO  20  12.172 -10.187   2.285
  130    H    ALA  21           H        ALA  21   9.265  -9.000   2.738
  131    HA   ALA  21           HA       ALA  21   6.442  -9.580   2.967
  132   1HB   ALA  21          1HB       ALA  21   8.261  -8.193   4.931
  133   2HB   ALA  21          2HB       ALA  21   6.653  -8.839   5.257
  134   3HB   ALA  21          3HB       ALA  21   7.981  -9.933   4.868
  135    H    GLU  22           H        GLU  22   8.471  -6.951   2.156
  136    HA   GLU  22           HA       GLU  22   6.457  -4.905   2.587
  137   1HB   GLU  22          2HB       GLU  22   9.252  -4.907   1.451
  138   1HG   GLU  22          2HG       GLU  22   8.250  -3.223   3.695
  139    H    VAL  23           H        VAL  23   6.461  -3.326   0.477
  140    HA   VAL  23           HA       VAL  23   6.175  -4.945  -1.937
  141    HB   VAL  23           HB       VAL  23   3.953  -3.488  -0.601
  142   1HG1  VAL  23          1HG1      VAL  23   4.174  -3.563  -3.597
  143   2HG1  VAL  23          2HG1      VAL  23   2.773  -3.037  -2.665
  144   3HG1  VAL  23          3HG1      VAL  23   4.276  -2.117  -2.593
  145   1HG2  VAL  23          1HG2      VAL  23   4.032  -5.954  -0.788
  146   2HG2  VAL  23          2HG2      VAL  23   2.605  -5.237  -1.533
  147   3HG2  VAL  23          3HG2      VAL  23   3.936  -5.788  -2.546
  148    H    THR  24           H        THR  24   6.925  -4.048  -3.699
  149    HA   THR  24           HA       THR  24   7.978  -1.358  -3.658
  150    HB   THR  24           HB       THR  24   7.851  -3.333  -5.947
  151    HG1  THR  24           1HG      THR  24   9.088  -4.145  -4.204
  152   1HG2  THR  24          1HG2      THR  24   9.515  -0.844  -5.558
  153   2HG2  THR  24          2HG2      THR  24   8.189  -1.043  -6.702
  154   3HG2  THR  24          3HG2      THR  24   9.673  -1.976  -6.898
  155    H    MET  25           H        MET  25   6.852   0.370  -4.236
  156    HA   MET  25           HA       MET  25   4.621   0.039  -6.109
  157   1HB   MET  25          2HB       MET  25   3.155   1.395  -4.782
  158   1HG   MET  25          2HG       MET  25   5.363   1.632  -2.749
  159   1HE   MET  25          1HE       MET  25   4.337   4.544  -1.829
  160   2HE   MET  25          2HE       MET  25   3.458   4.102  -0.367
  161   3HE   MET  25          3HE       MET  25   5.002   3.336  -0.731
  162    H    LYS  26           H        LYS  26   4.328   1.684  -7.513
  163    HA   LYS  26           HA       LYS  26   6.342   3.812  -7.447
  164   1HB   LYS  26          2HB       LYS  26   6.311   2.336  -9.422
  165   1HG   LYS  26          2HG       LYS  26   6.171   3.938 -11.211
  166   1HD   LYS  26          2HD       LYS  26   7.659   5.669 -10.396
  167   1HE   LYS  26          2HE       LYS  26   9.332   4.306  -9.150
  168   1HZ   LYS  26          1HZ       LYS  26   9.739   2.761 -10.884
  169   2HZ   LYS  26          2HZ       LYS  26   9.097   4.155 -11.608
  170   3HZ   LYS  26          3HZ       LYS  26   8.124   2.784 -11.395
  171    H    LYS  27           H        LYS  27   5.699   5.869  -7.044
  172    HA   LYS  27           HA       LYS  27   3.131   6.349  -6.075
  173   1HB   LYS  27          2HB       LYS  27   3.765   8.533  -5.630
  174   1HG   LYS  27          2HG       LYS  27   4.407   9.044  -8.065
  175   1HD   LYS  27          2HD       LYS  27   6.973   8.008  -6.955
  176   1HE   LYS  27          2HE       LYS  27   6.858  10.016  -9.183
  177   1HZ   LYS  27          1HZ       LYS  27   8.785   8.608  -9.222
  178   2HZ   LYS  27          2HZ       LYS  27   9.085   8.882  -7.574
  179   3HZ   LYS  27          3HZ       LYS  27   9.255  10.149  -8.688
  180    H    GLY  28           H        GLY  28   1.429   7.602  -6.795
  181   1HA   GLY  28          1HA       GLY  28   0.178   8.677  -8.513
  182   2HA   GLY  28          2HA       GLY  28   1.301   8.024  -9.699
  183    H    ASP  29           H        ASP  29   1.135   5.389  -8.192
  184    HA   ASP  29           HA       ASP  29  -1.123   4.327  -9.652
  185   1HB   ASP  29          2HB       ASP  29   1.132   3.128  -8.088
  186    H    ILE  30           H        ILE  30  -2.973   3.495  -8.821
  187    HA   ILE  30           HA       ILE  30  -3.561   4.055  -6.009
  188    HB   ILE  30           HB       ILE  30  -5.429   2.996  -8.136
  189   1HG1  ILE  30          2HG1      ILE  30  -4.606   5.153  -8.870
  190   1HG2  ILE  30          1HG2      ILE  30  -5.955   4.296  -5.466
  191   2HG2  ILE  30          2HG2      ILE  30  -7.189   3.819  -6.634
  192   3HG2  ILE  30          3HG2      ILE  30  -6.182   2.592  -5.865
  193   1HD1  ILE  30          1HD1      ILE  30  -4.891   7.184  -7.581
  194   2HD1  ILE  30          2HD1      ILE  30  -5.437   6.238  -6.196
  195   3HD1  ILE  30          3HD1      ILE  30  -3.781   6.071  -6.781
  196    H    LEU  31           H        LEU  31  -3.453   2.475  -4.517
  197    HA   LEU  31           HA       LEU  31  -3.170  -0.289  -5.504
  198   1HB   LEU  31          2HB       LEU  31  -2.472   0.389  -2.704
  199    HG   LEU  31           HG       LEU  31  -1.234   2.195  -3.673
  200   1HD1  LEU  31          1HD1      LEU  31   1.032   1.491  -3.191
  201   2HD1  LEU  31          2HD1      LEU  31  -0.093   0.778  -2.033
  202   3HD1  LEU  31          3HD1      LEU  31   0.554  -0.202  -3.351
  203   1HD2  LEU  31          1HD2      LEU  31   0.321   1.898  -5.516
  204   2HD2  LEU  31          2HD2      LEU  31  -0.171   0.212  -5.677
  205   3HD2  LEU  31          3HD2      LEU  31  -1.326   1.500  -6.018
  206    H    THR  32           H        THR  32  -4.108  -1.985  -4.201
  207    HA   THR  32           HA       THR  32  -6.668  -1.226  -3.037
  208    HB   THR  32           HB       THR  32  -5.447  -3.961  -3.497
  209    HG1  THR  32           1HG      THR  32  -6.736  -4.023  -5.309
  210   1HG2  THR  32          1HG2      THR  32  -7.062  -3.997  -1.658
  211   2HG2  THR  32          2HG2      THR  32  -7.710  -4.826  -3.073
  212   3HG2  THR  32          3HG2      THR  32  -8.267  -3.191  -2.680
  213    H    LEU  33           H        LEU  33  -7.060  -1.164  -0.877
  214    HA   LEU  33           HA       LEU  33  -4.853  -1.617   0.900
  215   1HB   LEU  33          2HB       LEU  33  -7.234  -0.070   0.999
  216    HG   LEU  33           HG       LEU  33  -5.258   0.995   1.671
  217   1HD1  LEU  33          1HD1      LEU  33  -5.730   1.695   3.968
  218   2HD1  LEU  33          2HD1      LEU  33  -7.180   1.661   2.957
  219   3HD1  LEU  33          3HD1      LEU  33  -6.884   0.371   4.122
  220   1HD2  LEU  33          1HD2      LEU  33  -3.841   0.226   3.499
  221   2HD2  LEU  33          2HD2      LEU  33  -4.881  -1.180   3.726
  222   3HD2  LEU  33          3HD2      LEU  33  -3.957  -0.997   2.235
  223    H    LEU  34           H        LEU  34  -4.596  -3.194   2.306
  224    HA   LEU  34           HA       LEU  34  -6.625  -5.321   2.436
  225   1HB   LEU  34          2HB       LEU  34  -3.612  -5.484   2.453
  226    HG   LEU  34           HG       LEU  34  -4.625  -5.247   0.192
  227   1HD1  LEU  34          1HD1      LEU  34  -2.532  -6.475   0.548
  228   2HD1  LEU  34          2HD1      LEU  34  -3.450  -7.963   0.769
  229   3HD1  LEU  34          3HD1      LEU  34  -3.471  -7.138  -0.787
  230   1HD2  LEU  34          1HD2      LEU  34  -6.769  -6.281   0.562
  231   2HD2  LEU  34          2HD2      LEU  34  -5.909  -7.151  -0.706
  232   3HD2  LEU  34          3HD2      LEU  34  -6.003  -7.830   0.920
  233    H    ASN  35           H        ASN  35  -4.426  -3.250   4.150
  234    HA   ASN  35           HA       ASN  35  -5.822  -3.820   6.613
  235   1HB   ASN  35          2HB       ASN  35  -4.272  -5.362   7.242
  236   1HD2  ASN  35          1HD2      ASN  35  -1.753  -2.963   6.799
  237   2HD2  ASN  35          2HD2      ASN  35  -1.541  -2.623   8.478
  238    H    SER  36           H        SER  36  -6.171  -1.958   7.632
  239    HA   SER  36           HA       SER  36  -3.962  -0.036   7.736
  240   1HB   SER  36          2HB       SER  36  -5.690   1.829   7.678
  241    HG   SER  36           HG       SER  36  -7.315  -0.367   7.102
  242    H    THR  37           H        THR  37  -5.185  -2.156   9.503
  243    HA   THR  37           HA       THR  37  -6.141  -0.579  11.753
  244    HB   THR  37           HB       THR  37  -7.157  -2.802  11.205
  245    HG1  THR  37           1HG      THR  37  -6.436  -1.843  13.609
  246   1HG2  THR  37          1HG2      THR  37  -5.975  -4.840  11.850
  247   2HG2  THR  37          2HG2      THR  37  -4.545  -3.895  12.259
  248   3HG2  THR  37          3HG2      THR  37  -5.092  -3.985  10.585
  249    H    ASN  38           H        ASN  38  -3.205  -1.679  10.498
  250    HA   ASN  38           HA       ASN  38  -1.803  -1.524  13.057
  251   1HB   ASN  38          2HB       ASN  38  -1.213  -3.284  11.341
  252   1HD2  ASN  38          1HD2      ASN  38   1.387  -2.991  10.276
  253   2HD2  ASN  38          2HD2      ASN  38   2.473  -2.820  11.613
  254    H    LYS  39           H        LYS  39  -0.807   0.323  13.719
  255    HA   LYS  39           HA       LYS  39  -1.367   2.705  12.232
  256   1HB   LYS  39          2HB       LYS  39  -0.652   3.898  14.122
  257   1HG   LYS  39          2HG       LYS  39   1.021   1.532  14.943
  258   1HD   LYS  39          2HD       LYS  39   0.530   4.184  16.275
  259   1HE   LYS  39          2HE       LYS  39   2.881   3.777  16.376
  260   1HZ   LYS  39          1HZ       LYS  39   3.778   1.694  17.234
  261   2HZ   LYS  39          2HZ       LYS  39   2.926   1.437  15.790
  262   3HZ   LYS  39          3HZ       LYS  39   2.222   1.020  17.276
  263    H    ASP  40           H        ASP  40   1.174   0.508  12.098
  264    HA   ASP  40           HA       ASP  40   3.131   2.550  11.289
  265   1HB   ASP  40          2HB       ASP  40   3.601  -0.333  12.089
  266    H    TRP  41           H        TRP  41   2.484  -0.842  10.477
  267    HA   TRP  41           HA       TRP  41   3.228  -0.231   7.709
  268   1HB   TRP  41          2HB       TRP  41   3.246  -2.805   9.281
  269    HD1  TRP  41           HD       TRP  41   5.218  -1.996  10.849
  270    HE1  TRP  41           1HE      TRP  41   7.706  -1.527  10.412
  271    HE3  TRP  41           3HE      TRP  41   5.117  -1.805   5.743
  272    HZ2  TRP  41           2HZ      TRP  41   9.405  -1.116   8.193
  273    HZ3  TRP  41           3HZ      TRP  41   7.220  -1.372   4.538
  274    HH2  TRP  41           HH       TRP  41   9.317  -1.035   5.742
  275    H    TRP  42           H        TRP  42   1.735  -0.232   6.205
  276    HA   TRP  42           HA       TRP  42  -0.852  -1.491   6.766
  277   1HB   TRP  42          2HB       TRP  42   0.020   0.672   4.874
  278    HD1  TRP  42           HD       TRP  42  -0.769   0.268   8.261
  279    HE1  TRP  42           1HE      TRP  42  -2.158   2.199   9.231
  280    HE3  TRP  42           3HE      TRP  42  -2.434   2.266   3.913
  281    HZ2  TRP  42           2HZ      TRP  42  -3.759   4.323   8.252
  282    HZ3  TRP  42           3HZ      TRP  42  -3.901   4.261   3.988
  283    HH2  TRP  42           HH       TRP  42  -4.535   5.263   6.118
  284    H    LYS  43           H        LYS  43  -1.871  -2.710   5.030
  285    HA   LYS  43           HA       LYS  43   0.158  -4.167   3.465
  286   1HB   LYS  43          2HB       LYS  43  -1.280  -5.387   5.297
  287   1HG   LYS  43          2HG       LYS  43  -1.198  -6.550   2.528
  288   1HD   LYS  43          2HD       LYS  43  -1.112  -7.869   5.245
  289   1HE   LYS  43          2HE       LYS  43  -1.508  -9.937   3.934
  290   1HZ   LYS  43          1HZ       LYS  43   0.987  -8.492   3.228
  291   2HZ   LYS  43          2HZ       LYS  43   0.740 -10.154   3.041
  292   3HZ   LYS  43          3HZ       LYS  43   0.746  -9.468   4.593
  293    H    VAL  44           H        VAL  44   0.016  -3.939   1.346
  294    HA   VAL  44           HA       VAL  44  -2.549  -3.052   0.209
  295    HB   VAL  44           HB       VAL  44  -1.276  -1.581  -1.361
  296   1HG1  VAL  44          1HG1      VAL  44  -0.967  -0.915   1.565
  297   2HG1  VAL  44          2HG1      VAL  44  -0.908   0.240   0.234
  298   3HG1  VAL  44          3HG1      VAL  44  -2.403  -0.629   0.581
  299   1HG2  VAL  44          1HG2      VAL  44   0.911  -2.675  -1.128
  300   2HG2  VAL  44          2HG2      VAL  44   1.006  -0.941  -0.821
  301   3HG2  VAL  44          3HG2      VAL  44   1.027  -2.077   0.528
  302    H    GLU  45           H        GLU  45  -2.873  -3.600  -1.983
  303    HA   GLU  45           HA       GLU  45  -1.075  -5.714  -2.957
  304   1HB   GLU  45          2HB       GLU  45  -3.372  -6.486  -2.503
  305   1HG   GLU  45          2HG       GLU  45  -2.726  -6.345  -5.441
  306    H    VAL  46           H        VAL  46   0.131  -5.178  -4.584
  307    HA   VAL  46           HA       VAL  46  -0.852  -3.273  -6.600
  308    HB   VAL  46           HB       VAL  46   2.063  -3.294  -6.062
  309   1HG1  VAL  46          1HG1      VAL  46   1.517  -1.818  -7.755
  310   2HG1  VAL  46          2HG1      VAL  46   0.050  -1.271  -6.936
  311   3HG1  VAL  46          3HG1      VAL  46   1.630  -0.766  -6.346
  312   1HG2  VAL  46          1HG2      VAL  46   0.155  -1.919  -4.195
  313   2HG2  VAL  46          2HG2      VAL  46   1.291  -3.204  -3.793
  314   3HG2  VAL  46          3HG2      VAL  46   1.890  -1.617  -4.268
  315    H    ASN  47           H        ASN  47  -0.281  -3.870  -8.706
  316    HA   ASN  47           HA       ASN  47  -0.037  -5.351 -10.357
  317   1HB   ASN  47          2HB       ASN  47   2.188  -6.431 -10.613
  318   1HD2  ASN  47          1HD2      ASN  47   3.323  -4.011  -8.448
  319   2HD2  ASN  47          2HD2      ASN  47   4.205  -5.074  -7.401
  320    H    ASP  48           H        ASP  48   1.593  -7.507  -8.042
  321    HA   ASP  48           HA       ASP  48  -0.772  -9.147  -7.800
  322   1HB   ASP  48          2HB       ASP  48   0.304  -9.845  -9.971
  323    H    ARG  49           H        ARG  49   1.440  -7.625  -6.299
  324    HA   ARG  49           HA       ARG  49   2.210  -9.819  -4.505
  325   1HB   ARG  49          2HB       ARG  49   4.090  -8.832  -5.825
  326   1HG   ARG  49          2HG       ARG  49   4.597  -7.956  -3.033
  327   1HD   ARG  49          2HD       ARG  49   6.684  -9.279  -3.414
  328    HE   ARG  49           HE       ARG  49   7.034  -6.988  -3.952
  329   1HH1  ARG  49          2HH1      ARG  49   5.985  -8.891  -6.727
  330   2HH1  ARG  49          1HH1      ARG  49   6.615  -7.751  -7.881
  331   1HH2  ARG  49          2HH2      ARG  49   7.838  -5.536  -5.445
  332   2HH2  ARG  49          1HH2      ARG  49   7.639  -5.818  -7.150
  333    H    GLN  50           H        GLN  50   1.277  -9.689  -2.607
  334    HA   GLN  50           HA       GLN  50   0.236  -7.094  -1.690
  335   1HB   GLN  50          2HB       GLN  50  -0.445  -9.782  -0.513
  336   1HG   GLN  50          2HG       GLN  50  -2.047  -8.504  -2.712
  337   1HE2  GLN  50          1HE2      GLN  50  -3.828  -9.731  -3.326
  338   2HE2  GLN  50          2HE2      GLN  50  -4.436 -11.032  -2.352
  339    H    GLY  51           H        GLY  51   1.409  -6.095  -0.183
  340   1HA   GLY  51          1HA       GLY  51   2.659  -7.628   1.947
  341   2HA   GLY  51          2HA       GLY  51   3.765  -6.797   0.863
  342    H    PHE  52           H        PHE  52   4.405  -5.727   2.887
  343    HA   PHE  52           HA       PHE  52   2.455  -3.777   3.861
  344   1HB   PHE  52          2HB       PHE  52   5.048  -4.791   5.009
  345    HD1  PHE  52           1HD      PHE  52   1.658  -3.835   6.230
  346    HD2  PHE  52           2HD      PHE  52   4.629  -6.865   5.889
  347    HE1  PHE  52           1HE      PHE  52   0.287  -5.326   7.624
  348    HE2  PHE  52           2HE      PHE  52   3.257  -8.366   7.277
  349    HZ   PHE  52           HZ       PHE  52   1.088  -7.590   8.154
  350    H    VAL  53           H        VAL  53   2.743  -1.669   3.866
  351    HA   VAL  53           HA       VAL  53   5.272  -0.496   2.926
  352    HB   VAL  53           HB       VAL  53   4.013   1.245   1.686
  353   1HG1  VAL  53          1HG1      VAL  53   3.424  -1.560   0.742
  354   2HG1  VAL  53          2HG1      VAL  53   3.401  -0.107  -0.258
  355   3HG1  VAL  53          3HG1      VAL  53   4.914  -0.661   0.461
  356   1HG2  VAL  53          1HG2      VAL  53   1.604  -0.499   2.191
  357   2HG2  VAL  53          2HG2      VAL  53   1.898   1.092   2.893
  358   3HG2  VAL  53          3HG2      VAL  53   1.653   0.929   1.156
  359    HA   PRO  54           HA       PRO  54   4.612   2.182   6.415
  360   1HB   PRO  54          2HB       PRO  54   5.440   4.579   5.087
  361   1HG   PRO  54          2HG       PRO  54   7.001   3.844   3.608
  362   1HD   PRO  54          2HD       PRO  54   5.460   2.508   2.571
  363    H    ALA  55           H        ALA  55   2.847   3.108   7.212
  364    HA   ALA  55           HA       ALA  55   0.591   3.706   5.670
  365   1HB   ALA  55          1HB       ALA  55   0.514   3.123   8.054
  366   2HB   ALA  55          2HB       ALA  55   1.247   4.676   8.455
  367   3HB   ALA  55          3HB       ALA  55  -0.357   4.620   7.722
  368    H    ALA  56           H        ALA  56   3.260   5.711   6.684
  369    HA   ALA  56           HA       ALA  56   1.975   8.215   6.163
  370   1HB   ALA  56          1HB       ALA  56   4.900   7.559   6.488
  371   2HB   ALA  56          2HB       ALA  56   4.201   9.180   6.495
  372   3HB   ALA  56          3HB       ALA  56   3.793   8.034   7.774
  373    H    TYR  57           H        TYR  57   3.182   5.840   4.119
  374    HA   TYR  57           HA       TYR  57   4.130   7.737   2.097
  375   1HB   TYR  57          2HB       TYR  57   4.462   4.776   2.432
  376    HD1  TYR  57           1HD      TYR  57   6.925   5.274   0.438
  377    HD2  TYR  57           2HD      TYR  57   5.643   6.942   4.127
  378    HE1  TYR  57           1HE      TYR  57   9.250   5.873   0.966
  379    HE2  TYR  57           2HE      TYR  57   7.960   7.541   4.671
  380    HH   TYR  57           HH       TYR  57  10.268   6.700   4.032
  381    H    VAL  58           H        VAL  58   1.461   5.633   2.767
  382    HA   VAL  58           HA       VAL  58   0.381   6.252   0.100
  383    HB   VAL  58           HB       VAL  58  -1.138   4.364   0.365
  384   1HG1  VAL  58          1HG1      VAL  58   1.767   3.683   0.815
  385   2HG1  VAL  58          2HG1      VAL  58   0.541   2.540   0.259
  386   3HG1  VAL  58          3HG1      VAL  58   0.957   3.935  -0.736
  387   1HG2  VAL  58          1HG2      VAL  58   0.297   3.864   2.973
  388   2HG2  VAL  58          2HG2      VAL  58  -1.388   4.353   2.785
  389   3HG2  VAL  58          3HG2      VAL  58  -0.859   2.768   2.216
  390    H    LYS  59           H        LYS  59  -1.702   7.072  -0.073
  391    HA   LYS  59           HA       LYS  59  -2.675   8.285   2.423
  392   1HB   LYS  59          2HB       LYS  59  -1.889   9.947   0.846
  393   1HG   LYS  59          2HG       LYS  59  -4.891   9.966   0.712
  394   1HD   LYS  59          2HD       LYS  59  -2.899  12.225   0.792
  395   1HE   LYS  59          2HE       LYS  59  -4.814  13.617   0.237
  396   1HZ   LYS  59          1HZ       LYS  59  -5.290  11.909   2.627
  397   2HZ   LYS  59          2HZ       LYS  59  -6.084  13.373   2.313
  398   3HZ   LYS  59          3HZ       LYS  59  -4.409  13.361   2.575
  399    H    LYS  60           H        LYS  60  -4.728   8.079   3.001
  400    HA   LYS  60           HA       LYS  60  -6.247   5.942   1.811
  401   1HB   LYS  60          2HB       LYS  60  -6.130   6.639   4.324
  402   1HG   LYS  60          2HG       LYS  60  -8.919   6.395   4.221
  403   1HD   LYS  60          2HD       LYS  60  -6.938   4.145   4.428
  404   1HE   LYS  60          2HE       LYS  60  -9.014   4.362   6.465
  405   1HZ   LYS  60          1HZ       LYS  60  -8.263   2.243   4.539
  406   2HZ   LYS  60          2HZ       LYS  60  -9.488   2.071   5.685
  407   3HZ   LYS  60          3HZ       LYS  60  -7.888   2.310   6.187
  408    H    LEU  61           H        LEU  61  -7.165   6.371  -0.142
  409    HA   LEU  61           HA       LEU  61  -8.210   8.954  -0.841
  410   1HB   LEU  61          2HB       LEU  61  -8.342   6.253  -2.187
  411    HG   LEU  61           HG       LEU  61  -6.091   7.459  -2.275
  412   1HD1  LEU  61          1HD1      LEU  61  -7.565   6.985  -4.867
  413   2HD1  LEU  61          2HD1      LEU  61  -5.815   6.988  -4.643
  414   3HD1  LEU  61          3HD1      LEU  61  -6.801   5.741  -3.880
  415   1HD2  LEU  61          1HD2      LEU  61  -5.965   9.298  -3.926
  416   2HD2  LEU  61          2HD2      LEU  61  -7.727   9.359  -3.963
  417   3HD2  LEU  61          3HD2      LEU  61  -6.860   9.748  -2.476
  418    H    ASP  62           H        ASP  62  -9.382   8.512   1.356
  419    HA   ASP  62           HA       ASP  62 -12.155   7.814   0.822
  420   1HB   ASP  62          2HB       ASP  62 -11.086   5.696   1.562
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1  -6.014  -5.261  -5.657
    2   2H    MET   1          2H        MET   1  -5.715  -6.729  -6.446
    3   3H    MET   1          3H        MET   1  -7.297  -6.329  -5.964
    4    HA   MET   1           HA       MET   1  -5.674  -5.044  -8.076
    5   1HB   MET   1          2HB       MET   1  -6.717  -6.986  -8.932
    6   1HG   MET   1          2HG       MET   1  -8.699  -4.782  -9.441
    7   1HE   MET   1          1HE       MET   1 -10.092  -6.109 -12.833
    8   2HE   MET   1          2HE       MET   1 -10.190  -4.843 -11.608
    9   3HE   MET   1          3HE       MET   1  -8.725  -5.024 -12.573
   10    H    ASP   2           H        ASP   2  -8.941  -5.035  -6.696
   11    HA   ASP   2           HA       ASP   2  -9.038  -2.388  -5.853
   12   1HB   ASP   2          2HB       ASP   2 -10.117  -1.153  -7.556
   13    H    GLU   3           H        GLU   3 -10.532  -5.142  -7.257
   14    HA   GLU   3           HA       GLU   3 -12.311  -6.425  -6.732
   15   1HB   GLU   3          2HB       GLU   3 -12.363  -5.131  -4.019
   16   1HG   GLU   3          2HG       GLU   3 -10.078  -5.541  -4.076
   17    H    THR   4           H        THR   4 -13.107  -4.343  -8.208
   18    HA   THR   4           HA       THR   4 -15.054  -3.253  -8.895
   19    HB   THR   4           HB       THR   4 -16.389  -4.334  -6.405
   20    HG1  THR   4           1HG      THR   4 -15.185  -5.804  -8.148
   21   1HG2  THR   4          1HG2      THR   4 -18.393  -4.302  -7.828
   22   2HG2  THR   4          2HG2      THR   4 -17.443  -3.620  -9.149
   23   3HG2  THR   4          3HG2      THR   4 -17.690  -2.691  -7.669
   24    H    GLY   5           H        GLY   5 -13.395  -2.539  -6.088
   25   1HA   GLY   5          1HA       GLY   5 -13.187  -0.070  -5.748
   26   2HA   GLY   5          2HA       GLY   5 -14.949  -0.061  -5.675
   27    H    LYS   6           H        LYS   6 -13.109   0.826  -3.643
   28    HA   LYS   6           HA       LYS   6 -14.044  -0.419  -1.327
   29   1HB   LYS   6          2HB       LYS   6 -12.136  -1.703  -0.571
   30   1HG   LYS   6          2HG       LYS   6 -10.820  -1.368  -3.254
   31   1HD   LYS   6          2HD       LYS   6  -8.864  -2.247  -2.067
   32   1HE   LYS   6          2HE       LYS   6 -10.599  -3.760  -3.223
   33   1HZ   LYS   6          1HZ       LYS   6 -12.309  -4.012  -1.686
   34   2HZ   LYS   6          2HZ       LYS   6 -11.253  -4.215  -0.376
   35   3HZ   LYS   6          3HZ       LYS   6 -11.431  -5.451  -1.520
   36    H    GLU   7           H        GLU   7 -11.743  -0.106   0.311
   37    HA   GLU   7           HA       GLU   7 -11.675   2.639   0.758
   38   1HB   GLU   7          2HB       GLU   7  -9.566   0.611   1.538
   39   1HG   GLU   7          2HG       GLU   7 -10.696   0.828   3.796
   40    H    LEU   8           H        LEU   8  -9.178   0.591  -0.773
   41    HA   LEU   8           HA       LEU   8  -7.437   1.029  -2.135
   42   1HB   LEU   8          2HB       LEU   8  -9.235   3.297  -2.980
   43    HG   LEU   8           HG       LEU   8 -10.071   0.978  -3.484
   44   1HD1  LEU   8          1HD1      LEU   8 -10.774   2.878  -4.813
   45   2HD1  LEU   8          2HD1      LEU   8  -9.329   2.738  -5.815
   46   3HD1  LEU   8          3HD1      LEU   8 -10.548   1.465  -5.845
   47   1HD2  LEU   8          1HD2      LEU   8  -7.916  -0.118  -3.850
   48   2HD2  LEU   8          2HD2      LEU   8  -8.953  -0.270  -5.268
   49   3HD2  LEU   8          3HD2      LEU   8  -7.634   0.899  -5.264
   50    H    VAL   9           H        VAL   9  -5.523   2.226  -2.363
   51    HA   VAL   9           HA       VAL   9  -5.341   4.678  -0.767
   52    HB   VAL   9           HB       VAL   9  -2.970   3.928  -0.120
   53   1HG1  VAL   9          1HG1      VAL   9  -4.722   4.193   1.518
   54   2HG1  VAL   9          2HG1      VAL   9  -5.383   2.608   1.113
   55   3HG1  VAL   9          3HG1      VAL   9  -3.798   2.734   1.874
   56   1HG2  VAL   9          1HG2      VAL   9  -2.836   1.987  -1.589
   57   2HG2  VAL   9          2HG2      VAL   9  -2.653   1.510   0.098
   58   3HG2  VAL   9          3HG2      VAL   9  -4.182   1.232  -0.732
   59    H    LEU  10           H        LEU  10  -3.901   6.174  -1.463
   60    HA   LEU  10           HA       LEU  10  -2.940   5.773  -4.199
   61   1HB   LEU  10          2HB       LEU  10  -4.311   7.616  -4.243
   62    HG   LEU  10           HG       LEU  10  -1.606   8.742  -3.638
   63   1HD1  LEU  10          1HD1      LEU  10  -1.609   9.207  -6.045
   64   2HD1  LEU  10          2HD1      LEU  10  -1.789   7.487  -5.695
   65   3HD1  LEU  10          3HD1      LEU  10  -3.193   8.441  -6.174
   66   1HD2  LEU  10          1HD2      LEU  10  -4.072  10.234  -4.514
   67   2HD2  LEU  10          2HD2      LEU  10  -3.228  10.413  -2.974
   68   3HD2  LEU  10          3HD2      LEU  10  -2.436  10.891  -4.474
   69    H    ALA  11           H        ALA  11  -0.830   5.485  -4.493
   70    HA   ALA  11           HA       ALA  11   1.043   5.732  -2.351
   71   1HB   ALA  11          1HB       ALA  11   2.698   5.029  -3.989
   72   2HB   ALA  11          2HB       ALA  11   1.254   4.024  -4.122
   73   3HB   ALA  11          3HB       ALA  11   1.550   5.306  -5.299
   74    H    LEU  12           H        LEU  12   1.793   7.626  -1.662
   75    HA   LEU  12           HA       LEU  12   1.734   9.975  -3.363
   76   1HB   LEU  12          2HB       LEU  12   2.905   9.726  -0.596
   77    HG   LEU  12           HG       LEU  12   0.507   9.027  -0.535
   78   1HD1  LEU  12          1HD1      LEU  12  -0.114  10.534   1.260
   79   2HD1  LEU  12          2HD1      LEU  12   1.603  10.136   1.364
   80   3HD1  LEU  12          3HD1      LEU  12   1.096  11.702   0.728
   81   1HD2  LEU  12          1HD2      LEU  12   0.013  11.835  -1.533
   82   2HD2  LEU  12          2HD2      LEU  12  -0.273  10.355  -2.449
   83   3HD2  LEU  12          3HD2      LEU  12  -1.214  10.690  -0.996
   84    H    TYR  13           H        TYR  13   4.055   7.773  -1.994
   85    HA   TYR  13           HA       TYR  13   6.210   9.169  -3.425
   86   1HB   TYR  13          2HB       TYR  13   6.693   7.583  -0.909
   87    HD1  TYR  13           1HD      TYR  13   6.289   8.302   1.236
   88    HD2  TYR  13           2HD      TYR  13   5.867  11.100  -1.934
   89    HE1  TYR  13           1HE      TYR  13   5.430   9.962   2.824
   90    HE2  TYR  13           2HE      TYR  13   5.016  12.774  -0.354
   91    HH   TYR  13           HH       TYR  13   5.301  12.455   2.980
   92    H    ASP  14           H        ASP  14   7.870   7.752  -4.269
   93    HA   ASP  14           HA       ASP  14   6.908   5.136  -4.977
   94   1HB   ASP  14          2HB       ASP  14   8.849   4.940  -6.332
   95    H    TYR  15           H        TYR  15   7.889   3.135  -4.370
   96    HA   TYR  15           HA       TYR  15   9.590   3.259  -1.996
   97   1HB   TYR  15          2HB       TYR  15   7.190   3.318  -1.262
   98    HD1  TYR  15           1HD      TYR  15   9.133   3.472   0.489
   99    HD2  TYR  15           2HD      TYR  15   7.275  -0.159  -0.708
  100    HE1  TYR  15           1HE      TYR  15   9.889   2.412   2.565
  101    HE2  TYR  15           2HE      TYR  15   8.050  -1.242   1.357
  102    HH   TYR  15           HH       TYR  15   9.713  -0.993   3.073
  103    H    GLN  16           H        GLN  16  11.217   1.954  -2.397
  104    HA   GLN  16           HA       GLN  16  10.834  -0.508  -3.904
  105   1HB   GLN  16          2HB       GLN  16  12.840   0.749  -4.410
  106   1HG   GLN  16          2HG       GLN  16  14.632  -0.786  -4.020
  107   1HE2  GLN  16          1HE2      GLN  16  12.060  -2.982  -3.215
  108   2HE2  GLN  16          2HE2      GLN  16  11.800  -3.592  -4.825
  109    H    GLU  17           H        GLU  17  10.115  -2.247  -2.860
  110    HA   GLU  17           HA       GLU  17   9.906  -2.586  -0.120
  111   1HB   GLU  17          2HB       GLU  17   9.425  -4.903  -0.564
  112   1HG   GLU  17          2HG       GLU  17  11.051  -4.488  -2.999
  113    H    LYS  18           H        LYS  18  11.223  -3.233   1.476
  114    HA   LYS  18           HA       LYS  18  14.023  -3.658   0.830
  115   1HB   LYS  18          2HB       LYS  18  13.713  -2.030   2.527
  116   1HG   LYS  18          2HG       LYS  18  14.342  -4.608   3.865
  117   1HD   LYS  18          2HD       LYS  18  13.579  -2.979   5.504
  118   1HE   LYS  18          2HE       LYS  18  15.829  -1.167   4.728
  119   1HZ   LYS  18          1HZ       LYS  18  14.730  -0.899   6.895
  120   2HZ   LYS  18          2HZ       LYS  18  13.247  -0.659   6.101
  121   3HZ   LYS  18          3HZ       LYS  18  14.509   0.450   5.886
  122    H    SER  19           H        SER  19  11.250  -5.455   1.752
  123    HA   SER  19           HA       SER  19  12.849  -7.875   1.974
  124   1HB   SER  19          2HB       SER  19  11.706  -8.562   4.046
  125    HG   SER  19           HG       SER  19  10.621  -5.942   4.178
  126    HA   PRO  20           HA       PRO  20   9.572  -9.616  -0.481
  127   1HB   PRO  20          2HB       PRO  20   9.230 -12.067   0.774
  128   1HG   PRO  20          2HG       PRO  20  10.715 -11.758   2.517
  129   1HD   PRO  20          2HD       PRO  20  12.278 -10.034   2.520
  130    H    ALA  21           H        ALA  21   9.141  -8.934   2.814
  131    HA   ALA  21           HA       ALA  21   6.330  -9.696   2.840
  132   1HB   ALA  21          1HB       ALA  21   7.612 -10.069   4.874
  133   2HB   ALA  21          2HB       ALA  21   8.018  -8.354   4.952
  134   3HB   ALA  21          3HB       ALA  21   6.345  -8.873   5.154
  135    H    GLU  22           H        GLU  22   8.293  -7.093   2.000
  136    HA   GLU  22           HA       GLU  22   6.173  -5.092   2.237
  137   1HB   GLU  22          2HB       GLU  22   9.077  -4.941   1.410
  138   1HG   GLU  22          2HG       GLU  22   7.800  -3.388   3.602
  139    H    VAL  23           H        VAL  23   6.074  -3.616   0.161
  140    HA   VAL  23           HA       VAL  23   6.481  -5.244  -2.255
  141    HB   VAL  23           HB       VAL  23   4.391  -4.953  -3.150
  142   1HG1  VAL  23          1HG1      VAL  23   3.769  -4.939  -0.215
  143   2HG1  VAL  23          2HG1      VAL  23   2.694  -5.464  -1.511
  144   3HG1  VAL  23          3HG1      VAL  23   4.178  -6.356  -1.179
  145   1HG2  VAL  23          1HG2      VAL  23   3.959  -2.616  -1.322
  146   2HG2  VAL  23          2HG2      VAL  23   4.267  -2.560  -3.054
  147   3HG2  VAL  23          3HG2      VAL  23   2.760  -3.248  -2.447
  148    H    THR  24           H        THR  24   6.989  -4.126  -4.111
  149    HA   THR  24           HA       THR  24   7.921  -1.408  -3.797
  150    HB   THR  24           HB       THR  24   7.991  -3.261  -6.185
  151    HG1  THR  24           1HG      THR  24   9.494  -4.095  -4.925
  152   1HG2  THR  24          1HG2      THR  24   8.065  -0.897  -6.861
  153   2HG2  THR  24          2HG2      THR  24   9.607  -1.702  -7.139
  154   3HG2  THR  24          3HG2      THR  24   9.414  -0.631  -5.753
  155    H    MET  25           H        MET  25   6.968   0.385  -4.548
  156    HA   MET  25           HA       MET  25   4.677   0.166  -6.353
  157   1HB   MET  25          2HB       MET  25   3.238   1.483  -4.930
  158   1HG   MET  25          2HG       MET  25   5.453   1.463  -2.888
  159   1HE   MET  25          1HE       MET  25   5.184   3.055  -0.775
  160   2HE   MET  25          2HE       MET  25   4.491   4.368  -1.727
  161   3HE   MET  25          3HE       MET  25   3.660   3.791  -0.285
  162    H    LYS  26           H        LYS  26   4.204   2.090  -7.479
  163    HA   LYS  26           HA       LYS  26   6.203   4.223  -7.175
  164   1HB   LYS  26          2HB       LYS  26   4.716   3.269  -9.618
  165   1HG   LYS  26          2HG       LYS  26   6.910   2.207  -9.116
  166   1HD   LYS  26          2HD       LYS  26   7.879   5.037  -9.515
  167   1HE   LYS  26          2HE       LYS  26   9.442   2.452  -9.536
  168   1HZ   LYS  26          1HZ       LYS  26  10.667   4.114  -8.352
  169   2HZ   LYS  26          2HZ       LYS  26  10.382   5.265  -9.562
  170   3HZ   LYS  26          3HZ       LYS  26  11.360   3.923  -9.890
  171    H    LYS  27           H        LYS  27   5.530   6.233  -6.797
  172    HA   LYS  27           HA       LYS  27   2.995   6.750  -5.816
  173   1HB   LYS  27          2HB       LYS  27   3.618   8.982  -5.586
  174   1HG   LYS  27          2HG       LYS  27   4.148   9.277  -8.078
  175   1HD   LYS  27          2HD       LYS  27   6.877   8.630  -6.970
  176   1HE   LYS  27          2HE       LYS  27   6.240   9.720  -9.692
  177   1HZ   LYS  27          1HZ       LYS  27   8.786   9.307  -8.226
  178   2HZ   LYS  27          2HZ       LYS  27   8.653  10.126  -9.706
  179   3HZ   LYS  27          3HZ       LYS  27   8.260   8.475  -9.611
  180    H    GLY  28           H        GLY  28   1.232   7.871  -6.584
  181   1HA   GLY  28          1HA       GLY  28  -0.112   8.807  -8.300
  182   2HA   GLY  28          2HA       GLY  28   1.026   8.195  -9.493
  183    H    ASP  29           H        ASP  29   1.038   5.544  -8.050
  184    HA   ASP  29           HA       ASP  29  -1.152   4.414  -9.534
  185   1HB   ASP  29          2HB       ASP  29   1.096   3.257  -7.915
  186    H    ILE  30           H        ILE  30  -2.869   3.269  -8.745
  187    HA   ILE  30           HA       ILE  30  -3.682   3.938  -6.009
  188    HB   ILE  30           HB       ILE  30  -5.390   2.715  -8.180
  189   1HG1  ILE  30          2HG1      ILE  30  -4.591   4.834  -9.046
  190   1HG2  ILE  30          1HG2      ILE  30  -7.248   3.629  -6.839
  191   2HG2  ILE  30          2HG2      ILE  30  -6.284   2.443  -5.956
  192   3HG2  ILE  30          3HG2      ILE  30  -6.080   4.165  -5.631
  193   1HD1  ILE  30          1HD1      ILE  30  -5.578   6.102  -6.509
  194   2HD1  ILE  30          2HD1      ILE  30  -3.890   5.928  -6.989
  195   3HD1  ILE  30          3HD1      ILE  30  -4.976   6.949  -7.933
  196    H    LEU  31           H        LEU  31  -3.157   2.394  -4.548
  197    HA   LEU  31           HA       LEU  31  -2.890  -0.361  -5.503
  198   1HB   LEU  31          2HB       LEU  31  -2.293   0.368  -2.678
  199    HG   LEU  31           HG       LEU  31  -1.006   2.118  -3.578
  200   1HD1  LEU  31          1HD1      LEU  31   0.131   0.508  -2.050
  201   2HD1  LEU  31          2HD1      LEU  31   0.827  -0.260  -3.482
  202   3HD1  LEU  31          3HD1      LEU  31   1.225   1.418  -3.097
  203   1HD2  LEU  31          1HD2      LEU  31  -1.172   1.464  -5.964
  204   2HD2  LEU  31          2HD2      LEU  31   0.456   1.947  -5.479
  205   3HD2  LEU  31          3HD2      LEU  31   0.060   0.238  -5.675
  206    H    THR  32           H        THR  32  -3.664  -2.092  -4.059
  207    HA   THR  32           HA       THR  32  -6.399  -1.548  -3.223
  208    HB   THR  32           HB       THR  32  -4.898  -4.178  -3.259
  209    HG1  THR  32           1HG      THR  32  -5.691  -2.727  -5.286
  210   1HG2  THR  32          1HG2      THR  32  -7.839  -3.541  -2.998
  211   2HG2  THR  32          2HG2      THR  32  -6.796  -4.275  -1.774
  212   3HG2  THR  32          3HG2      THR  32  -7.179  -5.159  -3.253
  213    H    LEU  33           H        LEU  33  -6.974  -1.265  -1.133
  214    HA   LEU  33           HA       LEU  33  -4.943  -1.496   0.895
  215   1HB   LEU  33          2HB       LEU  33  -7.234   0.103   0.586
  216    HG   LEU  33           HG       LEU  33  -5.461   1.188   1.589
  217   1HD1  LEU  33          1HD1      LEU  33  -6.127   1.756   3.894
  218   2HD1  LEU  33          2HD1      LEU  33  -7.469   1.818   2.750
  219   3HD1  LEU  33          3HD1      LEU  33  -7.306   0.448   3.847
  220   1HD2  LEU  33          1HD2      LEU  33  -4.161  -0.789   2.182
  221   2HD2  LEU  33          2HD2      LEU  33  -4.202   0.370   3.512
  222   3HD2  LEU  33          3HD2      LEU  33  -5.215  -1.071   3.567
  223    H    LEU  34           H        LEU  34  -4.672  -3.137   2.184
  224    HA   LEU  34           HA       LEU  34  -6.759  -5.204   2.352
  225   1HB   LEU  34          2HB       LEU  34  -3.764  -5.388   2.685
  226    HG   LEU  34           HG       LEU  34  -4.455  -5.242   0.308
  227   1HD1  LEU  34          1HD1      LEU  34  -2.483  -6.528   0.925
  228   2HD1  LEU  34          2HD1      LEU  34  -3.482  -7.961   1.167
  229   3HD1  LEU  34          3HD1      LEU  34  -3.315  -7.265  -0.444
  230   1HD2  LEU  34          1HD2      LEU  34  -6.691  -6.171   0.468
  231   2HD2  LEU  34          2HD2      LEU  34  -5.724  -7.089  -0.685
  232   3HD2  LEU  34          3HD2      LEU  34  -6.030  -7.742   0.926
  233    H    ASN  35           H        ASN  35  -4.555  -3.172   4.148
  234    HA   ASN  35           HA       ASN  35  -6.110  -3.567   6.564
  235   1HB   ASN  35          2HB       ASN  35  -4.639  -5.137   7.312
  236   1HD2  ASN  35          1HD2      ASN  35  -2.024  -2.864   6.809
  237   2HD2  ASN  35          2HD2      ASN  35  -1.825  -2.456   8.476
  238    H    SER  36           H        SER  36  -6.199  -1.748   7.787
  239    HA   SER  36           HA       SER  36  -4.145   0.305   7.399
  240   1HB   SER  36          2HB       SER  36  -6.080   2.001   7.518
  241    HG   SER  36           HG       SER  36  -8.058   1.277   7.312
  242    H    THR  37           H        THR  37  -5.249  -1.729   9.527
  243    HA   THR  37           HA       THR  37  -5.925   0.136  11.658
  244    HB   THR  37           HB       THR  37  -7.198  -2.015  11.333
  245    HG1  THR  37           1HG      THR  37  -7.187  -0.843  13.335
  246   1HG2  THR  37          1HG2      THR  37  -4.712  -3.250  12.527
  247   2HG2  THR  37          2HG2      THR  37  -5.272  -3.484  10.871
  248   3HG2  THR  37          3HG2      THR  37  -6.238  -4.077  12.223
  249    H    ASN  38           H        ASN  38  -3.173  -1.393  10.412
  250    HA   ASN  38           HA       ASN  38  -1.704  -1.253  12.930
  251   1HB   ASN  38          2HB       ASN  38  -1.327  -3.134  11.284
  252   1HD2  ASN  38          1HD2      ASN  38   1.339  -3.047  10.209
  253   2HD2  ASN  38          2HD2      ASN  38   2.410  -2.957  11.571
  254    H    LYS  39           H        LYS  39  -0.987   0.690  13.538
  255    HA   LYS  39           HA       LYS  39  -1.062   2.939  11.835
  256   1HB   LYS  39          2HB       LYS  39  -0.300   4.229  13.685
  257   1HG   LYS  39          2HG       LYS  39   0.597   1.700  15.064
  258   1HD   LYS  39          2HD       LYS  39  -0.322   3.645  16.435
  259   1HE   LYS  39          2HE       LYS  39   2.309   4.852  15.581
  260   1HZ   LYS  39          1HZ       LYS  39   1.775   6.617  17.071
  261   2HZ   LYS  39          2HZ       LYS  39   1.701   5.169  17.949
  262   3HZ   LYS  39          3HZ       LYS  39   0.272   5.932  17.450
  263    H    ASP  40           H        ASP  40   1.337   0.583  12.132
  264    HA   ASP  40           HA       ASP  40   3.464   2.401  11.261
  265   1HB   ASP  40          2HB       ASP  40   3.527  -0.452  12.248
  266    H    TRP  41           H        TRP  41   2.439  -0.891  10.439
  267    HA   TRP  41           HA       TRP  41   3.185  -0.334   7.652
  268   1HB   TRP  41          2HB       TRP  41   3.193  -2.899   9.238
  269    HD1  TRP  41           HD       TRP  41   5.193  -2.148  10.787
  270    HE1  TRP  41           1HE      TRP  41   7.691  -1.711  10.330
  271    HE3  TRP  41           3HE      TRP  41   5.058  -1.912   5.677
  272    HZ2  TRP  41           2HZ      TRP  41   9.369  -1.318   8.099
  273    HZ3  TRP  41           3HZ      TRP  41   7.162  -1.505   4.462
  274    HH2  TRP  41           HH       TRP  41   9.270  -1.214   5.652
  275    H    TRP  42           H        TRP  42   1.515  -0.065   6.357
  276    HA   TRP  42           HA       TRP  42  -1.015  -1.402   6.909
  277   1HB   TRP  42          2HB       TRP  42  -0.149   0.626   4.855
  278    HD1  TRP  42           HD       TRP  42  -1.175   0.354   8.304
  279    HE1  TRP  42           1HE      TRP  42  -2.332   2.503   9.111
  280    HE3  TRP  42           3HE      TRP  42  -2.169   2.393   3.800
  281    HZ2  TRP  42           2HZ      TRP  42  -3.524   4.796   7.949
  282    HZ3  TRP  42           3HZ      TRP  42  -3.325   4.583   3.688
  283    HH2  TRP  42           HH       TRP  42  -3.983   5.754   5.729
  284    H    LYS  43           H        LYS  43  -2.048  -2.643   5.140
  285    HA   LYS  43           HA       LYS  43   0.004  -4.171   3.693
  286   1HB   LYS  43          2HB       LYS  43  -1.527  -5.310   5.525
  287   1HG   LYS  43          2HG       LYS  43  -1.206  -6.571   2.805
  288   1HD   LYS  43          2HD       LYS  43  -1.408  -7.827   5.544
  289   1HE   LYS  43          2HE       LYS  43  -1.669  -9.923   4.199
  290   1HZ   LYS  43          1HZ       LYS  43   0.444  -9.496   5.214
  291   2HZ   LYS  43          2HZ       LYS  43   0.931  -8.515   3.922
  292   3HZ   LYS  43          3HZ       LYS  43   0.690 -10.172   3.677
  293    H    VAL  44           H        VAL  44  -0.094  -4.093   1.558
  294    HA   VAL  44           HA       VAL  44  -2.601  -3.244   0.296
  295    HB   VAL  44           HB       VAL  44  -1.367  -1.720  -1.211
  296   1HG1  VAL  44          1HG1      VAL  44  -1.056  -1.065   1.718
  297   2HG1  VAL  44          2HG1      VAL  44  -1.012   0.098   0.393
  298   3HG1  VAL  44          3HG1      VAL  44  -2.496  -0.793   0.735
  299   1HG2  VAL  44          1HG2      VAL  44   0.834  -2.777  -0.999
  300   2HG2  VAL  44          2HG2      VAL  44   0.903  -1.041  -0.693
  301   3HG2  VAL  44          3HG2      VAL  44   0.957  -2.178   0.655
  302    H    GLU  45           H        GLU  45  -2.427  -3.464  -2.108
  303    HA   GLU  45           HA       GLU  45  -0.671  -5.680  -2.887
  304   1HB   GLU  45          2HB       GLU  45  -2.891  -6.621  -2.473
  305   1HG   GLU  45          2HG       GLU  45  -2.199  -6.377  -5.388
  306    H    VAL  46           H        VAL  46   0.426  -5.282  -4.660
  307    HA   VAL  46           HA       VAL  46  -0.650  -3.389  -6.635
  308    HB   VAL  46           HB       VAL  46   2.278  -3.371  -6.403
  309   1HG1  VAL  46          1HG1      VAL  46   0.154  -1.271  -6.710
  310   2HG1  VAL  46          2HG1      VAL  46   1.879  -0.916  -6.658
  311   3HG1  VAL  46          3HG1      VAL  46   1.221  -1.912  -7.958
  312   1HG2  VAL  46          1HG2      VAL  46   0.615  -2.113  -4.232
  313   2HG2  VAL  46          2HG2      VAL  46   1.804  -3.403  -4.036
  314   3HG2  VAL  46          3HG2      VAL  46   2.326  -1.788  -4.517
  315    H    ASN  47           H        ASN  47  -0.559  -4.156  -8.633
  316    HA   ASN  47           HA       ASN  47  -0.663  -5.757 -10.186
  317   1HB   ASN  47          2HB       ASN  47   1.506  -6.716 -10.979
  318   1HD2  ASN  47          1HD2      ASN  47   2.960  -3.970  -9.554
  319   2HD2  ASN  47          2HD2      ASN  47   4.198  -4.816  -8.693
  320    H    ASP  48           H        ASP  48   1.777  -7.627  -8.427
  321    HA   ASP  48           HA       ASP  48  -0.334  -9.500  -7.670
  322   1HB   ASP  48          2HB       ASP  48   0.773 -10.216  -9.819
  323    H    ARG  49           H        ARG  49   2.029  -7.577  -6.632
  324    HA   ARG  49           HA       ARG  49   3.050  -9.407  -4.589
  325   1HB   ARG  49          2HB       ARG  49   3.954  -6.750  -5.622
  326   1HG   ARG  49          2HG       ARG  49   5.440  -9.245  -4.820
  327   1HD   ARG  49          2HD       ARG  49   6.582  -6.883  -4.513
  328    HE   ARG  49           HE       ARG  49   7.442  -7.170  -7.273
  329   1HH1  ARG  49          2HH1      ARG  49   5.440  -5.380  -5.021
  330   2HH1  ARG  49          1HH1      ARG  49   5.361  -3.965  -6.029
  331   1HH2  ARG  49          2HH2      ARG  49   7.335  -5.377  -8.591
  332   2HH2  ARG  49          1HH2      ARG  49   6.431  -3.968  -8.098
  333    H    GLN  50           H        GLN  50   1.765  -9.643  -2.933
  334    HA   GLN  50           HA       GLN  50   0.283  -7.324  -1.885
  335   1HB   GLN  50          2HB       GLN  50  -0.116 -10.172  -0.980
  336   1HG   GLN  50          2HG       GLN  50  -1.613  -8.986  -3.300
  337   1HE2  GLN  50          1HE2      GLN  50  -3.601  -9.682  -2.600
  338   2HE2  GLN  50          2HE2      GLN  50  -3.998 -11.357  -2.385
  339    H    GLY  51           H        GLY  51   1.104  -6.385  -0.098
  340   1HA   GLY  51          1HA       GLY  51   2.453  -7.884   1.941
  341   2HA   GLY  51          2HA       GLY  51   3.578  -7.016   0.903
  342    H    PHE  52           H        PHE  52   4.239  -5.773   2.720
  343    HA   PHE  52           HA       PHE  52   2.202  -3.920   3.744
  344   1HB   PHE  52          2HB       PHE  52   4.753  -4.967   4.943
  345    HD1  PHE  52           1HD      PHE  52   1.691  -3.703   6.543
  346    HD2  PHE  52           2HD      PHE  52   3.928  -7.141   5.416
  347    HE1  PHE  52           1HE      PHE  52   0.225  -5.105   7.931
  348    HE2  PHE  52           2HE      PHE  52   2.461  -8.550   6.800
  349    HZ   PHE  52           HZ       PHE  52   0.609  -7.531   8.062
  350    H    VAL  53           H        VAL  53   2.632  -1.764   4.003
  351    HA   VAL  53           HA       VAL  53   5.138  -0.632   2.971
  352    HB   VAL  53           HB       VAL  53   3.913   1.211   1.860
  353   1HG1  VAL  53          1HG1      VAL  53   4.734  -0.600   0.501
  354   2HG1  VAL  53          2HG1      VAL  53   3.262  -1.527   0.811
  355   3HG1  VAL  53          3HG1      VAL  53   3.183  -0.034  -0.126
  356   1HG2  VAL  53          1HG2      VAL  53   1.526   0.935   1.322
  357   2HG2  VAL  53          2HG2      VAL  53   1.468  -0.478   2.377
  358   3HG2  VAL  53          3HG2      VAL  53   1.813   1.114   3.053
  359    HA   PRO  54           HA       PRO  54   4.751   2.014   6.558
  360   1HB   PRO  54          2HB       PRO  54   5.672   4.379   5.502
  361   1HG   PRO  54          2HG       PRO  54   5.926   3.744   3.294
  362   1HD   PRO  54          2HD       PRO  54   5.780   1.540   2.637
  363    H    ALA  55           H        ALA  55   3.013   3.014   7.350
  364    HA   ALA  55           HA       ALA  55   0.763   3.593   5.794
  365   1HB   ALA  55          1HB       ALA  55  -0.194   4.521   7.835
  366   2HB   ALA  55          2HB       ALA  55   0.673   3.022   8.173
  367   3HB   ALA  55          3HB       ALA  55   1.408   4.577   8.573
  368    H    ALA  56           H        ALA  56   3.422   5.615   6.796
  369    HA   ALA  56           HA       ALA  56   2.112   8.103   6.226
  370   1HB   ALA  56          1HB       ALA  56   3.844   7.965   7.916
  371   2HB   ALA  56          2HB       ALA  56   5.018   7.469   6.695
  372   3HB   ALA  56          3HB       ALA  56   4.317   9.088   6.641
  373    H    TYR  57           H        TYR  57   3.085   5.794   4.130
  374    HA   TYR  57           HA       TYR  57   4.206   7.707   2.194
  375   1HB   TYR  57          2HB       TYR  57   4.532   4.749   2.515
  376    HD1  TYR  57           1HD      TYR  57   7.012   5.237   0.512
  377    HD2  TYR  57           2HD      TYR  57   5.694   6.929   4.182
  378    HE1  TYR  57           1HE      TYR  57   9.324   5.843   1.054
  379    HE2  TYR  57           2HE      TYR  57   8.007   7.540   4.737
  380    HH   TYR  57           HH       TYR  57  10.545   7.401   2.438
  381    H    VAL  58           H        VAL  58   1.527   5.601   2.782
  382    HA   VAL  58           HA       VAL  58   0.444   6.336   0.148
  383    HB   VAL  58           HB       VAL  58  -1.084   4.409   0.368
  384   1HG1  VAL  58          1HG1      VAL  58   1.031   4.176  -0.840
  385   2HG1  VAL  58          2HG1      VAL  58   1.837   3.714   0.663
  386   3HG1  VAL  58          3HG1      VAL  58   0.594   2.670  -0.030
  387   1HG2  VAL  58          1HG2      VAL  58  -1.147   4.257   2.802
  388   2HG2  VAL  58          2HG2      VAL  58  -0.662   2.718   2.089
  389   3HG2  VAL  58          3HG2      VAL  58   0.548   3.769   2.824
  390    H    LYS  59           H        LYS  59  -1.738   7.019   0.034
  391    HA   LYS  59           HA       LYS  59  -2.728   8.097   2.591
  392   1HB   LYS  59          2HB       LYS  59  -1.813   9.840   1.105
  393   1HG   LYS  59          2HG       LYS  59  -4.815  10.039   1.186
  394   1HD   LYS  59          2HD       LYS  59  -2.741  12.224   1.289
  395   1HE   LYS  59          2HE       LYS  59  -5.718  12.291   0.790
  396   1HZ   LYS  59          1HZ       LYS  59  -5.477  14.655   0.824
  397   2HZ   LYS  59          2HZ       LYS  59  -4.462  14.027  -0.380
  398   3HZ   LYS  59          3HZ       LYS  59  -3.810  14.540   1.102
  399    H    LYS  60           H        LYS  60  -4.943   8.153   2.937
  400    HA   LYS  60           HA       LYS  60  -6.402   5.982   1.808
  401   1HB   LYS  60          2HB       LYS  60  -7.380   8.289   3.510
  402   1HG   LYS  60          2HG       LYS  60  -5.608   6.759   4.547
  403   1HD   LYS  60          2HD       LYS  60  -6.586   4.628   3.704
  404   1HE   LYS  60          2HE       LYS  60  -8.461   4.199   5.803
  405   1HZ   LYS  60          1HZ       LYS  60  -8.965   4.364   2.889
  406   2HZ   LYS  60          2HZ       LYS  60  -9.897   3.545   4.045
  407   3HZ   LYS  60          3HZ       LYS  60  -8.336   3.005   3.677
  408    H    LEU  61           H        LEU  61  -7.285   6.031  -0.178
  409    HA   LEU  61           HA       LEU  61  -8.428   8.514  -1.205
  410   1HB   LEU  61          2HB       LEU  61  -8.172   5.742  -2.372
  411    HG   LEU  61           HG       LEU  61  -6.065   7.150  -2.446
  412   1HD1  LEU  61          1HD1      LEU  61  -5.669   6.697  -4.817
  413   2HD1  LEU  61          2HD1      LEU  61  -6.486   5.350  -4.025
  414   3HD1  LEU  61          3HD1      LEU  61  -7.398   6.448  -5.060
  415   1HD2  LEU  61          1HD2      LEU  61  -6.074   8.952  -4.177
  416   2HD2  LEU  61          2HD2      LEU  61  -7.836   8.884  -4.172
  417   3HD2  LEU  61          3HD2      LEU  61  -6.964   9.353  -2.712
  418    H    ASP  62           H        ASP  62  -9.399   7.198   1.163
  419    HA   ASP  62           HA       ASP  62 -12.166   6.625   0.388
  420   1HB   ASP  62          2HB       ASP  62 -11.080   4.492   0.910
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1 -14.125  -4.333  -1.427
    2   2H    MET   1          2H        MET   1 -13.396  -5.610  -2.278
    3   3H    MET   1          3H        MET   1 -13.694  -5.757  -0.612
    4    HA   MET   1           HA       MET   1 -16.059  -5.653  -0.975
    5   1HB   MET   1          2HB       MET   1 -16.976  -5.761  -3.231
    6   1HG   MET   1          2HG       MET   1 -14.168  -5.351  -4.236
    7   1HE   MET   1          1HE       MET   1 -14.705  -6.830  -7.019
    8   2HE   MET   1          2HE       MET   1 -15.039  -5.443  -8.058
    9   3HE   MET   1          3HE       MET   1 -13.745  -5.357  -6.859
   10    H    ASP   2           H        ASP   2 -13.430  -7.386  -2.419
   11    HA   ASP   2           HA       ASP   2 -14.565  -9.923  -1.597
   12   1HB   ASP   2          2HB       ASP   2 -15.619  -9.657  -3.813
   13    H    GLU   3           H        GLU   3 -12.129  -7.863  -1.943
   14    HA   GLU   3           HA       GLU   3 -10.028  -9.843  -2.499
   15   1HB   GLU   3          2HB       GLU   3  -9.597  -6.868  -2.207
   16   1HG   GLU   3          2HG       GLU   3  -9.546  -6.902  -4.784
   17    H    THR   4           H        THR   4 -11.452  -9.695   0.112
   18    HA   THR   4           HA       THR   4 -10.992  -9.632   2.413
   19    HB   THR   4           HB       THR   4  -8.151  -8.867   1.674
   20    HG1  THR   4           1HG      THR   4  -7.825 -10.898   1.189
   21   1HG2  THR   4          1HG2      THR   4  -8.741  -8.481   4.026
   22   2HG2  THR   4          2HG2      THR   4  -7.599  -9.815   3.867
   23   3HG2  THR   4          3HG2      THR   4  -9.306 -10.148   4.161
   24    H    GLY   5           H        GLY   5 -10.272  -7.066   0.263
   25   1HA   GLY   5          1HA       GLY   5 -11.668  -5.130   1.630
   26   2HA   GLY   5          2HA       GLY   5  -9.988  -4.955   2.133
   27    H    LYS   6           H        LYS   6 -11.288  -2.941   0.731
   28    HA   LYS   6           HA       LYS   6  -9.588  -2.926  -1.630
   29   1HB   LYS   6          2HB       LYS   6 -11.804  -3.435  -2.475
   30   1HG   LYS   6          2HG       LYS   6 -12.074  -1.789  -4.089
   31   1HD   LYS   6          2HD       LYS   6  -9.770  -1.085  -4.729
   32   1HE   LYS   6          2HE       LYS   6  -8.877  -3.443  -4.869
   33   1HZ   LYS   6          1HZ       LYS   6 -10.262  -2.585  -6.616
   34   2HZ   LYS   6          2HZ       LYS   6 -11.670  -2.969  -5.759
   35   3HZ   LYS   6          3HZ       LYS   6 -10.659  -4.209  -6.328
   36    H    GLU   7           H        GLU   7 -11.866  -0.462  -0.913
   37    HA   GLU   7           HA       GLU   7 -11.771   1.566   0.091
   38   1HB   GLU   7          2HB       GLU   7  -9.464   0.214   1.415
   39   1HG   GLU   7          2HG       GLU   7 -10.631   0.747   3.441
   40    H    LEU   8           H        LEU   8  -8.836   0.486  -1.460
   41    HA   LEU   8           HA       LEU   8  -7.408   1.407  -2.927
   42   1HB   LEU   8          2HB       LEU   8  -9.488   3.579  -3.119
   43    HG   LEU   8           HG       LEU   8 -10.225   1.394  -4.054
   44   1HD1  LEU   8          1HD1      LEU   8 -10.850   2.274  -6.250
   45   2HD1  LEU   8          2HD1      LEU   8 -11.047   3.486  -4.984
   46   3HD1  LEU   8          3HD1      LEU   8  -9.660   3.563  -6.071
   47   1HD2  LEU   8          1HD2      LEU   8  -7.810   1.756  -5.828
   48   2HD2  LEU   8          2HD2      LEU   8  -8.103   0.433  -4.697
   49   3HD2  LEU   8          3HD2      LEU   8  -9.116   0.612  -6.129
   50    H    VAL   9           H        VAL   9  -5.519   2.217  -2.462
   51    HA   VAL   9           HA       VAL   9  -5.407   4.700  -0.888
   52    HB   VAL   9           HB       VAL   9  -3.049   3.879  -0.202
   53   1HG1  VAL   9          1HG1      VAL   9  -3.953   2.727   1.774
   54   2HG1  VAL   9          2HG1      VAL   9  -4.831   4.208   1.400
   55   3HG1  VAL   9          3HG1      VAL   9  -5.529   2.643   0.986
   56   1HG2  VAL   9          1HG2      VAL   9  -4.356   1.248  -0.884
   57   2HG2  VAL   9          2HG2      VAL   9  -2.922   1.942  -1.641
   58   3HG2  VAL   9          3HG2      VAL   9  -2.868   1.435   0.049
   59    H    LEU  10           H        LEU  10  -3.974   6.220  -1.516
   60    HA   LEU  10           HA       LEU  10  -2.975   5.879  -4.243
   61   1HB   LEU  10          2HB       LEU  10  -4.337   7.715  -4.282
   62    HG   LEU  10           HG       LEU  10  -1.672   8.861  -3.550
   63   1HD1  LEU  10          1HD1      LEU  10  -1.588   9.378  -5.941
   64   2HD1  LEU  10          2HD1      LEU  10  -1.768   7.648  -5.644
   65   3HD1  LEU  10          3HD1      LEU  10  -3.158   8.604  -6.153
   66   1HD2  LEU  10          1HD2      LEU  10  -3.367  10.481  -2.911
   67   2HD2  LEU  10          2HD2      LEU  10  -2.504  11.018  -4.351
   68   3HD2  LEU  10          3HD2      LEU  10  -4.124  10.334  -4.499
   69    H    ALA  11           H        ALA  11  -0.890   5.500  -4.491
   70    HA   ALA  11           HA       ALA  11   1.002   5.760  -2.387
   71   1HB   ALA  11          1HB       ALA  11   1.473   5.336  -5.341
   72   2HB   ALA  11          2HB       ALA  11   2.642   5.061  -4.048
   73   3HB   ALA  11          3HB       ALA  11   1.191   4.060  -4.157
   74    H    LEU  12           H        LEU  12   1.747   7.659  -1.681
   75    HA   LEU  12           HA       LEU  12   1.654  10.018  -3.362
   76   1HB   LEU  12          2HB       LEU  12   2.822   9.765  -0.587
   77    HG   LEU  12           HG       LEU  12   0.410   9.043  -0.588
   78   1HD1  LEU  12          1HD1      LEU  12  -0.224  10.531   1.251
   79   2HD1  LEU  12          2HD1      LEU  12   1.458  10.015   1.380
   80   3HD1  LEU  12          3HD1      LEU  12   1.072  11.636   0.799
   81   1HD2  LEU  12          1HD2      LEU  12  -0.046  11.889  -1.485
   82   2HD2  LEU  12          2HD2      LEU  12  -0.367  10.442  -2.438
   83   3HD2  LEU  12          3HD2      LEU  12  -1.293  10.755  -0.971
   84    H    TYR  13           H        TYR  13   4.064   7.941  -1.890
   85    HA   TYR  13           HA       TYR  13   6.146   9.358  -3.410
   86   1HB   TYR  13          2HB       TYR  13   6.718   7.885  -0.847
   87    HD1  TYR  13           1HD      TYR  13   6.093   8.618   1.286
   88    HD2  TYR  13           2HD      TYR  13   5.807  11.319  -1.981
   89    HE1  TYR  13           1HE      TYR  13   5.046  10.276   2.761
   90    HE2  TYR  13           2HE      TYR  13   4.767  12.996  -0.518
   91    HH   TYR  13           HH       TYR  13   3.519  13.101   1.588
   92    H    ASP  14           H        ASP  14   7.951   7.944  -4.086
   93    HA   ASP  14           HA       ASP  14   6.902   5.352  -4.839
   94   1HB   ASP  14          2HB       ASP  14   8.952   5.172  -6.233
   95    H    TYR  15           H        TYR  15   7.701   3.401  -4.192
   96    HA   TYR  15           HA       TYR  15   9.564   3.520  -1.920
   97   1HB   TYR  15          2HB       TYR  15   7.136   3.495  -1.218
   98    HD1  TYR  15           1HD      TYR  15   9.116   3.749   0.537
   99    HD2  TYR  15           2HD      TYR  15   7.329   0.069  -0.612
  100    HE1  TYR  15           1HE      TYR  15   9.903   2.724   2.629
  101    HE2  TYR  15           2HE      TYR  15   8.117  -0.976   1.453
  102    HH   TYR  15           HH       TYR  15   9.861  -0.664   3.126
  103    H    GLN  16           H        GLN  16  10.868   1.768  -1.617
  104    HA   GLN  16           HA       GLN  16  10.554  -0.466  -3.493
  105   1HB   GLN  16          2HB       GLN  16  12.906   1.226  -2.974
  106   1HG   GLN  16          2HG       GLN  16  11.740   0.923  -5.193
  107   1HE2  GLN  16          1HE2      GLN  16  11.450  -1.758  -3.857
  108   2HE2  GLN  16          2HE2      GLN  16  11.633  -2.900  -5.144
  109    H    GLU  17           H        GLU  17  10.130  -2.252  -2.523
  110    HA   GLU  17           HA       GLU  17  10.282  -2.730   0.226
  111   1HB   GLU  17          2HB       GLU  17   9.671  -5.000  -0.313
  112   1HG   GLU  17          2HG       GLU  17  10.609  -4.374  -3.094
  113    H    LYS  18           H        LYS  18  11.913  -3.360   1.523
  114    HA   LYS  18           HA       LYS  18  14.404  -4.270   0.291
  115   1HB   LYS  18          2HB       LYS  18  15.436  -3.873   2.445
  116   1HG   LYS  18          2HG       LYS  18  12.685  -3.216   3.444
  117   1HD   LYS  18          2HD       LYS  18  15.341  -3.186   4.873
  118   1HE   LYS  18          2HE       LYS  18  13.566  -3.830   6.359
  119   1HZ   LYS  18          1HZ       LYS  18  11.611  -3.160   5.278
  120   2HZ   LYS  18          2HZ       LYS  18  12.110  -1.543   5.176
  121   3HZ   LYS  18          3HZ       LYS  18  11.686  -2.202   6.682
  122    H    SER  19           H        SER  19  11.716  -5.464   2.109
  123    HA   SER  19           HA       SER  19  13.014  -8.104   2.267
  124   1HB   SER  19          2HB       SER  19  11.699  -8.546   4.286
  125    HG   SER  19           HG       SER  19  10.785  -5.876   4.309
  126    HA   PRO  20           HA       PRO  20   9.756  -9.552  -0.375
  127   1HB   PRO  20          2HB       PRO  20   9.283 -12.050   0.653
  128   1HG   PRO  20          2HG       PRO  20  10.561 -11.882   2.581
  129   1HD   PRO  20          2HD       PRO  20  12.149 -10.217   2.866
  130    H    ALA  21           H        ALA  21   9.234  -8.968   2.904
  131    HA   ALA  21           HA       ALA  21   6.413  -9.674   2.842
  132   1HB   ALA  21          1HB       ALA  21   8.041  -8.344   5.003
  133   2HB   ALA  21          2HB       ALA  21   6.375  -8.898   5.158
  134   3HB   ALA  21          3HB       ALA  21   7.671 -10.065   4.900
  135    H    GLU  22           H        GLU  22   8.398  -7.125   1.981
  136    HA   GLU  22           HA       GLU  22   6.350  -5.064   2.307
  137   1HB   GLU  22          2HB       GLU  22   9.239  -5.013   1.424
  138   1HG   GLU  22          2HG       GLU  22   8.073  -3.337   3.586
  139    H    VAL  23           H        VAL  23   6.183  -3.570   0.289
  140    HA   VAL  23           HA       VAL  23   6.295  -5.186  -2.158
  141    HB   VAL  23           HB       VAL  23   4.091  -5.127  -2.489
  142   1HG1  VAL  23          1HG1      VAL  23   2.565  -4.359  -0.740
  143   2HG1  VAL  23          2HG1      VAL  23   3.892  -5.326  -0.098
  144   3HG1  VAL  23          3HG1      VAL  23   3.913  -3.571   0.078
  145   1HG2  VAL  23          1HG2      VAL  23   2.833  -2.978  -2.643
  146   2HG2  VAL  23          2HG2      VAL  23   4.296  -2.144  -2.127
  147   3HG2  VAL  23          3HG2      VAL  23   4.285  -3.049  -3.641
  148    H    THR  24           H        THR  24   6.841  -4.170  -3.988
  149    HA   THR  24           HA       THR  24   7.955  -1.504  -3.829
  150    HB   THR  24           HB       THR  24   7.746  -3.357  -6.214
  151    HG1  THR  24           1HG      THR  24   8.992  -4.209  -4.419
  152   1HG2  THR  24          1HG2      THR  24   9.557  -1.992  -7.142
  153   2HG2  THR  24          2HG2      THR  24   9.505  -0.952  -5.717
  154   3HG2  THR  24          3HG2      THR  24   8.125  -1.013  -6.814
  155    H    MET  25           H        MET  25   6.889   0.293  -4.403
  156    HA   MET  25           HA       MET  25   4.620   0.087  -6.246
  157   1HB   MET  25          2HB       MET  25   3.173   1.375  -4.829
  158   1HG   MET  25          2HG       MET  25   5.413   1.497  -2.824
  159   1HE   MET  25          1HE       MET  25   3.566   3.840  -0.267
  160   2HE   MET  25          2HE       MET  25   5.116   3.169  -0.770
  161   3HE   MET  25          3HE       MET  25   4.329   4.404  -1.753
  162    H    LYS  26           H        LYS  26   4.279   1.886  -7.495
  163    HA   LYS  26           HA       LYS  26   6.246   4.046  -7.190
  164   1HB   LYS  26          2HB       LYS  26   4.946   2.800  -9.559
  165   1HG   LYS  26          2HG       LYS  26   7.381   2.483  -8.971
  166   1HD   LYS  26          2HD       LYS  26   7.477   5.359  -9.883
  167   1HE   LYS  26          2HE       LYS  26   9.271   3.970 -10.878
  168   1HZ   LYS  26          1HZ       LYS  26   9.847   3.385  -8.038
  169   2HZ   LYS  26          2HZ       LYS  26  11.057   3.331  -9.223
  170   3HZ   LYS  26          3HZ       LYS  26   9.716   2.298  -9.336
  171    H    LYS  27           H        LYS  27   5.604   6.096  -6.896
  172    HA   LYS  27           HA       LYS  27   3.023   6.571  -5.912
  173   1HB   LYS  27          2HB       LYS  27   3.652   8.778  -5.512
  174   1HG   LYS  27          2HG       LYS  27   4.357   9.237  -7.925
  175   1HD   LYS  27          2HD       LYS  27   6.884   8.169  -6.750
  176   1HE   LYS  27          2HE       LYS  27   6.822  10.105  -9.041
  177   1HZ   LYS  27          1HZ       LYS  27   9.056   9.018  -7.405
  178   2HZ   LYS  27          2HZ       LYS  27   9.205  10.132  -8.677
  179   3HZ   LYS  27          3HZ       LYS  27   8.678   8.554  -8.993
  180    H    GLY  28           H        GLY  28   1.332   7.789  -6.690
  181   1HA   GLY  28          1HA       GLY  28   0.083   8.824  -8.424
  182   2HA   GLY  28          2HA       GLY  28   1.266   8.242  -9.588
  183    H    ASP  29           H        ASP  29   1.072   5.563  -8.050
  184    HA   ASP  29           HA       ASP  29  -1.080   4.496  -9.673
  185   1HB   ASP  29          2HB       ASP  29   1.100   3.286  -8.014
  186    H    ILE  30           H        ILE  30  -2.717   3.089  -8.814
  187    HA   ILE  30           HA       ILE  30  -3.652   3.999  -6.170
  188    HB   ILE  30           HB       ILE  30  -5.334   2.887  -8.424
  189   1HG1  ILE  30          2HG1      ILE  30  -4.401   5.010  -9.143
  190   1HG2  ILE  30          1HG2      ILE  30  -6.102   4.293  -5.869
  191   2HG2  ILE  30          2HG2      ILE  30  -7.217   3.768  -7.130
  192   3HG2  ILE  30          3HG2      ILE  30  -6.298   2.575  -6.214
  193   1HD1  ILE  30          1HD1      ILE  30  -4.787   7.088  -7.965
  194   2HD1  ILE  30          2HD1      ILE  30  -5.505   6.205  -6.618
  195   3HD1  ILE  30          3HD1      ILE  30  -3.796   5.993  -7.000
  196    H    LEU  31           H        LEU  31  -3.278   2.467  -4.669
  197    HA   LEU  31           HA       LEU  31  -3.075  -0.318  -5.562
  198   1HB   LEU  31          2HB       LEU  31  -2.473   0.421  -2.756
  199    HG   LEU  31           HG       LEU  31  -1.209   2.214  -3.678
  200   1HD1  LEU  31          1HD1      LEU  31  -0.123   0.729  -2.036
  201   2HD1  LEU  31          2HD1      LEU  31   0.597  -0.172  -3.371
  202   3HD1  LEU  31          3HD1      LEU  31   1.029   1.521  -3.114
  203   1HD2  LEU  31          1HD2      LEU  31  -1.258   1.522  -6.044
  204   2HD2  LEU  31          2HD2      LEU  31   0.367   1.959  -5.504
  205   3HD2  LEU  31          3HD2      LEU  31  -0.079   0.262  -5.682
  206    H    THR  32           H        THR  32  -3.955  -1.998  -4.089
  207    HA   THR  32           HA       THR  32  -6.580  -1.213  -3.071
  208    HB   THR  32           HB       THR  32  -5.364  -3.956  -3.461
  209    HG1  THR  32           1HG      THR  32  -5.877  -2.733  -5.405
  210   1HG2  THR  32          1HG2      THR  32  -7.051  -3.914  -1.675
  211   2HG2  THR  32          2HG2      THR  32  -7.615  -4.809  -3.088
  212   3HG2  THR  32          3HG2      THR  32  -8.211  -3.171  -2.793
  213    H    LEU  33           H        LEU  33  -7.067  -1.173  -0.937
  214    HA   LEU  33           HA       LEU  33  -4.884  -1.522   0.930
  215   1HB   LEU  33          2HB       LEU  33  -7.085   0.199   0.799
  216    HG   LEU  33           HG       LEU  33  -5.209   1.114   1.799
  217   1HD1  LEU  33          1HD1      LEU  33  -7.127   0.486   4.030
  218   2HD1  LEU  33          2HD1      LEU  33  -5.897   1.749   4.055
  219   3HD1  LEU  33          3HD1      LEU  33  -7.229   1.838   2.901
  220   1HD2  LEU  33          1HD2      LEU  33  -4.061  -0.933   2.396
  221   2HD2  LEU  33          2HD2      LEU  33  -4.079   0.185   3.760
  222   3HD2  LEU  33          3HD2      LEU  33  -5.179  -1.193   3.735
  223    H    LEU  34           H        LEU  34  -4.689  -3.114   2.338
  224    HA   LEU  34           HA       LEU  34  -6.812  -5.151   2.446
  225   1HB   LEU  34          2HB       LEU  34  -3.816  -5.398   2.615
  226    HG   LEU  34           HG       LEU  34  -4.687  -5.108   0.300
  227   1HD1  LEU  34          1HD1      LEU  34  -3.512  -6.998  -0.634
  228   2HD1  LEU  34          2HD1      LEU  34  -2.651  -6.390   0.779
  229   3HD1  LEU  34          3HD1      LEU  34  -3.618  -7.858   0.901
  230   1HD2  LEU  34          1HD2      LEU  34  -6.157  -7.669   0.897
  231   2HD2  LEU  34          2HD2      LEU  34  -6.878  -6.099   0.545
  232   3HD2  LEU  34          3HD2      LEU  34  -5.965  -6.948  -0.702
  233    H    ASN  35           H        ASN  35  -4.573  -3.179   4.218
  234    HA   ASN  35           HA       ASN  35  -5.975  -3.697   6.695
  235   1HB   ASN  35          2HB       ASN  35  -4.491  -5.338   7.250
  236   1HD2  ASN  35          1HD2      ASN  35  -1.924  -2.979   6.849
  237   2HD2  ASN  35          2HD2      ASN  35  -1.640  -2.748   8.536
  238    H    SER  36           H        SER  36  -6.053  -1.901   7.916
  239    HA   SER  36           HA       SER  36  -4.028   0.182   7.437
  240   1HB   SER  36          2HB       SER  36  -5.928   1.852   7.742
  241    HG   SER  36           HG       SER  36  -7.598  -0.235   6.842
  242    H    THR  37           H        THR  37  -5.487  -1.826   9.619
  243    HA   THR  37           HA       THR  37  -5.819  -0.037  11.801
  244    HB   THR  37           HB       THR  37  -7.057  -2.161  11.686
  245    HG1  THR  37           1HG      THR  37  -6.473  -1.049  13.731
  246   1HG2  THR  37          1HG2      THR  37  -4.401  -3.460  12.314
  247   2HG2  THR  37          2HG2      THR  37  -5.263  -3.589  10.783
  248   3HG2  THR  37          3HG2      THR  37  -5.965  -4.273  12.251
  249    H    ASN  38           H        ASN  38  -3.110  -1.874  10.576
  250    HA   ASN  38           HA       ASN  38  -1.494  -1.420  12.931
  251   1HB   ASN  38          2HB       ASN  38  -1.144  -3.362  11.326
  252   1HD2  ASN  38          1HD2      ASN  38   1.471  -3.261  10.183
  253   2HD2  ASN  38          2HD2      ASN  38   2.585  -3.096  11.504
  254    H    LYS  39           H        LYS  39  -0.957   0.636  13.397
  255    HA   LYS  39           HA       LYS  39  -1.076   2.707  11.483
  256   1HB   LYS  39          2HB       LYS  39  -0.399   4.198  13.206
  257   1HG   LYS  39          2HG       LYS  39   0.439   1.891  14.945
  258   1HD   LYS  39          2HD       LYS  39   0.765   4.870  15.224
  259   1HE   LYS  39          2HE       LYS  39   1.286   2.647  17.190
  260   1HZ   LYS  39          1HZ       LYS  39   2.187   4.397  18.555
  261   2HZ   LYS  39          2HZ       LYS  39   0.581   4.773  18.163
  262   3HZ   LYS  39          3HZ       LYS  39   1.855   5.558  17.364
  263    H    ASP  40           H        ASP  40   1.421   0.500  12.070
  264    HA   ASP  40           HA       ASP  40   3.493   2.328  11.109
  265   1HB   ASP  40          2HB       ASP  40   3.590  -0.496  12.167
  266    H    TRP  41           H        TRP  41   2.560  -1.004  10.351
  267    HA   TRP  41           HA       TRP  41   3.317  -0.478   7.565
  268   1HB   TRP  41          2HB       TRP  41   3.345  -3.017   9.196
  269    HD1  TRP  41           HD       TRP  41   5.351  -2.300  10.727
  270    HE1  TRP  41           1HE      TRP  41   7.833  -1.808  10.269
  271    HE3  TRP  41           3HE      TRP  41   5.175  -1.930   5.634
  272    HZ2  TRP  41           2HZ      TRP  41   9.493  -1.317   8.041
  273    HZ3  TRP  41           3HZ      TRP  41   7.256  -1.447   4.415
  274    HH2  TRP  41           HH       TRP  41   9.371  -1.147   5.596
  275    H    TRP  42           H        TRP  42   1.610  -0.152   6.334
  276    HA   TRP  42           HA       TRP  42  -0.910  -1.491   6.870
  277   1HB   TRP  42          2HB       TRP  42  -0.004   0.571   4.881
  278    HD1  TRP  42           HD       TRP  42  -0.998   0.290   8.283
  279    HE1  TRP  42           1HE      TRP  42  -2.333   2.345   9.085
  280    HE3  TRP  42           3HE      TRP  42  -2.206   2.210   3.771
  281    HZ2  TRP  42           2HZ      TRP  42  -3.725   4.518   7.914
  282    HZ3  TRP  42           3HZ      TRP  42  -3.543   4.288   3.653
  283    HH2  TRP  42           HH       TRP  42  -4.280   5.415   5.692
  284    H    LYS  43           H        LYS  43  -1.981  -2.711   5.140
  285    HA   LYS  43           HA       LYS  43  -0.005  -4.255   3.590
  286   1HB   LYS  43          2HB       LYS  43  -1.485  -5.432   5.410
  287   1HG   LYS  43          2HG       LYS  43  -1.459  -6.564   2.625
  288   1HD   LYS  43          2HD       LYS  43  -1.478  -7.891   5.337
  289   1HE   LYS  43          2HE       LYS  43  -1.741  -9.979   4.069
  290   1HZ   LYS  43          1HZ       LYS  43   0.495  -9.355   4.709
  291   2HZ   LYS  43          2HZ       LYS  43   0.692  -8.475   3.279
  292   3HZ   LYS  43          3HZ       LYS  43   0.512 -10.153   3.218
  293    H    VAL  44           H        VAL  44  -0.085  -3.938   1.494
  294    HA   VAL  44           HA       VAL  44  -2.636  -3.117   0.292
  295    HB   VAL  44           HB       VAL  44  -1.452  -1.538  -1.183
  296   1HG1  VAL  44          1HG1      VAL  44  -2.539  -0.692   0.825
  297   2HG1  VAL  44          2HG1      VAL  44  -1.065  -0.970   1.754
  298   3HG1  VAL  44          3HG1      VAL  44  -1.081   0.235   0.465
  299   1HG2  VAL  44          1HG2      VAL  44   0.836  -0.839  -0.664
  300   2HG2  VAL  44          2HG2      VAL  44   0.931  -2.076   0.590
  301   3HG2  VAL  44          3HG2      VAL  44   0.769  -2.547  -1.103
  302    H    GLU  45           H        GLU  45  -2.895  -3.676  -1.889
  303    HA   GLU  45           HA       GLU  45  -0.982  -5.696  -2.833
  304   1HB   GLU  45          2HB       GLU  45  -3.298  -6.529  -2.426
  305   1HG   GLU  45          2HG       GLU  45  -2.554  -6.489  -5.344
  306    H    VAL  46           H        VAL  46   0.208  -5.182  -4.445
  307    HA   VAL  46           HA       VAL  46  -0.758  -3.250  -6.442
  308    HB   VAL  46           HB       VAL  46   2.153  -3.359  -5.862
  309   1HG1  VAL  46          1HG1      VAL  46   0.224  -1.248  -6.751
  310   2HG1  VAL  46          2HG1      VAL  46   1.879  -0.869  -6.269
  311   3HG1  VAL  46          3HG1      VAL  46   1.584  -1.940  -7.637
  312   1HG2  VAL  46          1HG2      VAL  46   1.294  -3.205  -3.624
  313   2HG2  VAL  46          2HG2      VAL  46   1.975  -1.651  -4.102
  314   3HG2  VAL  46          3HG2      VAL  46   0.227  -1.884  -4.093
  315    H    ASN  47           H        ASN  47  -0.378  -3.904  -8.511
  316    HA   ASN  47           HA       ASN  47  -0.184  -5.353 -10.190
  317   1HB   ASN  47          2HB       ASN  47   1.987  -6.495 -10.564
  318   1HD2  ASN  47          1HD2      ASN  47   3.356  -4.144  -8.495
  319   2HD2  ASN  47          2HD2      ASN  47   4.246  -5.237  -7.493
  320    H    ASP  48           H        ASP  48   1.505  -7.578  -8.005
  321    HA   ASP  48           HA       ASP  48  -0.988  -9.008  -7.559
  322   1HB   ASP  48          2HB       ASP  48  -0.219 -11.119  -8.300
  323    H    ARG  49           H        ARG  49   1.828  -7.705  -6.491
  324    HA   ARG  49           HA       ARG  49   2.301  -9.624  -4.355
  325   1HB   ARG  49          2HB       ARG  49   4.203  -8.669  -5.659
  326   1HG   ARG  49          2HG       ARG  49   4.652  -7.511  -2.976
  327   1HD   ARG  49          2HD       ARG  49   6.668  -8.969  -3.133
  328    HE   ARG  49           HE       ARG  49   7.167  -6.819  -3.981
  329   1HH1  ARG  49          2HH1      ARG  49   5.863  -8.902  -6.512
  330   2HH1  ARG  49          1HH1      ARG  49   6.577  -7.969  -7.790
  331   1HH2  ARG  49          2HH2      ARG  49   8.090  -5.641  -5.648
  332   2HH2  ARG  49          1HH2      ARG  49   7.845  -6.114  -7.310
  333    H    GLN  50           H        GLN  50   1.191  -9.420  -2.569
  334    HA   GLN  50           HA       GLN  50   0.386  -6.728  -1.735
  335   1HB   GLN  50          2HB       GLN  50  -1.597  -7.820  -0.619
  336   1HG   GLN  50          2HG       GLN  50  -1.551 -10.058  -2.510
  337   1HE2  GLN  50          1HE2      GLN  50  -3.774 -10.073  -2.288
  338   2HE2  GLN  50          2HE2      GLN  50  -4.553 -10.464  -0.790
  339    H    GLY  51           H        GLY  51   1.697  -6.140  -0.254
  340   1HA   GLY  51          1HA       GLY  51   2.204  -7.916   2.034
  341   2HA   GLY  51          2HA       GLY  51   3.565  -7.179   1.194
  342    H    PHE  52           H        PHE  52   4.311  -5.784   2.725
  343    HA   PHE  52           HA       PHE  52   2.333  -3.932   3.857
  344   1HB   PHE  52          2HB       PHE  52   4.935  -4.954   4.974
  345    HD1  PHE  52           1HD      PHE  52   1.557  -4.002   6.229
  346    HD2  PHE  52           2HD      PHE  52   4.493  -7.052   5.802
  347    HE1  PHE  52           1HE      PHE  52   0.176  -5.507   7.587
  348    HE2  PHE  52           2HE      PHE  52   3.113  -8.570   7.159
  349    HZ   PHE  52           HZ       PHE  52   0.953  -7.795   8.056
  350    H    VAL  53           H        VAL  53   2.678  -1.795   3.930
  351    HA   VAL  53           HA       VAL  53   5.190  -0.668   2.904
  352    HB   VAL  53           HB       VAL  53   3.943   1.112   1.707
  353   1HG1  VAL  53          1HG1      VAL  53   4.809  -0.787   0.451
  354   2HG1  VAL  53          2HG1      VAL  53   3.306  -1.666   0.727
  355   3HG1  VAL  53          3HG1      VAL  53   3.303  -0.197  -0.249
  356   1HG2  VAL  53          1HG2      VAL  53   1.841   1.009   2.911
  357   2HG2  VAL  53          2HG2      VAL  53   1.568   0.799   1.183
  358   3HG2  VAL  53          3HG2      VAL  53   1.523  -0.597   2.258
  359    HA   PRO  54           HA       PRO  54   4.781   2.082   6.387
  360   1HB   PRO  54          2HB       PRO  54   5.628   4.447   5.303
  361   1HG   PRO  54          2HG       PRO  54   5.737   3.818   3.075
  362   1HD   PRO  54          2HD       PRO  54   5.662   1.603   2.426
  363    H    ALA  55           H        ALA  55   3.025   2.995   7.209
  364    HA   ALA  55           HA       ALA  55   0.767   3.645   5.639
  365   1HB   ALA  55          1HB       ALA  55   0.633   2.811   7.944
  366   2HB   ALA  55          2HB       ALA  55   1.323   4.328   8.527
  367   3HB   ALA  55          3HB       ALA  55  -0.255   4.321   7.738
  368    H    ALA  56           H        ALA  56   3.516   5.488   6.448
  369    HA   ALA  56           HA       ALA  56   2.149   8.050   6.272
  370   1HB   ALA  56          1HB       ALA  56   4.330   9.017   6.772
  371   2HB   ALA  56          2HB       ALA  56   3.908   7.762   7.938
  372   3HB   ALA  56          3HB       ALA  56   5.070   7.420   6.655
  373    H    TYR  57           H        TYR  57   3.057   5.887   4.034
  374    HA   TYR  57           HA       TYR  57   4.120   7.907   2.171
  375   1HB   TYR  57          2HB       TYR  57   4.504   4.941   2.344
  376    HD1  TYR  57           1HD      TYR  57   6.947   5.442   0.391
  377    HD2  TYR  57           2HD      TYR  57   5.680   7.144   4.072
  378    HE1  TYR  57           1HE      TYR  57   9.278   6.021   0.918
  379    HE2  TYR  57           2HE      TYR  57   8.002   7.726   4.610
  380    HH   TYR  57           HH       TYR  57  10.499   7.656   2.332
  381    H    VAL  58           H        VAL  58   1.446   5.873   2.805
  382    HA   VAL  58           HA       VAL  58   0.360   6.463   0.136
  383    HB   VAL  58           HB       VAL  58  -1.120   4.525   0.404
  384   1HG1  VAL  58          1HG1      VAL  58   0.999   4.195  -0.726
  385   2HG1  VAL  58          2HG1      VAL  58   1.802   3.900   0.819
  386   3HG1  VAL  58          3HG1      VAL  58   0.595   2.760   0.218
  387   1HG2  VAL  58          1HG2      VAL  58  -0.767   2.928   2.228
  388   2HG2  VAL  58          2HG2      VAL  58   0.400   4.031   2.963
  389   3HG2  VAL  58          3HG2      VAL  58  -1.296   4.498   2.835
  390    H    LYS  59           H        LYS  59  -1.908   6.983   0.040
  391    HA   LYS  59           HA       LYS  59  -2.904   8.179   2.548
  392   1HB   LYS  59          2HB       LYS  59  -2.043   9.876   0.969
  393   1HG   LYS  59          2HG       LYS  59  -5.043   9.944   1.216
  394   1HD   LYS  59          2HD       LYS  59  -3.119  12.226   0.806
  395   1HE   LYS  59          2HE       LYS  59  -6.131  12.056   0.807
  396   1HZ   LYS  59          1HZ       LYS  59  -4.401  14.375   0.135
  397   2HZ   LYS  59          2HZ       LYS  59  -6.093  14.394   0.255
  398   3HZ   LYS  59          3HZ       LYS  59  -5.338  13.499  -0.973
  399    H    LYS  60           H        LYS  60  -5.121   8.125   2.909
  400    HA   LYS  60           HA       LYS  60  -6.548   5.941   1.763
  401   1HB   LYS  60          2HB       LYS  60  -7.569   8.241   3.449
  402   1HG   LYS  60          2HG       LYS  60  -5.822   6.690   4.503
  403   1HD   LYS  60          2HD       LYS  60  -6.600   4.562   3.745
  404   1HE   LYS  60          2HE       LYS  60  -9.204   5.373   5.026
  405   1HZ   LYS  60          1HZ       LYS  60  -9.970   3.117   4.660
  406   2HZ   LYS  60          2HZ       LYS  60  -8.703   3.150   5.781
  407   3HZ   LYS  60          3HZ       LYS  60  -8.413   2.643   4.192
  408    H    LEU  61           H        LEU  61  -7.435   5.968  -0.225
  409    HA   LEU  61           HA       LEU  61  -8.570   8.454  -1.256
  410   1HB   LEU  61          2HB       LEU  61  -8.235   5.712  -2.468
  411    HG   LEU  61           HG       LEU  61  -6.157   7.173  -2.458
  412   1HD1  LEU  61          1HD1      LEU  61  -7.381   6.497  -5.133
  413   2HD1  LEU  61          2HD1      LEU  61  -5.665   6.738  -4.803
  414   3HD1  LEU  61          3HD1      LEU  61  -6.520   5.376  -4.079
  415   1HD2  LEU  61          1HD2      LEU  61  -7.126   9.350  -2.728
  416   2HD2  LEU  61          2HD2      LEU  61  -6.151   8.998  -4.148
  417   3HD2  LEU  61          3HD2      LEU  61  -7.908   8.874  -4.235
  418    H    ASP  62           H        ASP  62  -9.519   6.670   1.003
  419    HA   ASP  62           HA       ASP  62 -12.251   6.124   0.086
  420   1HB   ASP  62          2HB       ASP  62 -11.135   4.195   1.078