*HEADER    RNA BINDING PROTEIN                     27-APR-04   1T3O              
*TITLE     SOLUTION STRUCTURE OF CSRA, A BACTERIAL CARBON STORAGE                
*TITLE    2 REGULATORY PROTEIN                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CARBON STORAGE REGULATOR;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: CSRA, BSU35370;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3 (PLYS);                           
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET16B                                    
*KEYWDS    CSRA, CSRB, CSRC, MOSTLY BETA STRANDS, RNA BINDING PROTEIN,           
*KEYWDS   2 BETA SHEET SURFACE                                                   
*EXPDTA    NMR, 14 STRUCTURES                                                    
*AUTHOR    L.M.I.KOHARUDIN, T.GEORGIOU, C.KLEANTHOUS, R.GEOFFREY,                
*AUTHOR   2 R.KAPTEIN, R.BOELENS                                                 
*REVDAT   1   18-OCT-05 1T3O    0                                                


CsrA_restraints.tbl?/??O???mBIN???0!!!! unambig.tbl 

 ASSI {    2}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 58   and name HB2 ))
      2.700     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.20587E-02 ppm1      6.834 ppm2      3.124 CV     1
 ASSI {    4}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 28   and name HB  ))
      3.600     1.600     1.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.83951E-03 ppm1      6.834 ppm2      2.139 CV     1
 ASSI {    7}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 52   and name HB  ))
      3.600     3.600     2.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.45561E-03 ppm1      6.835 ppm2      1.504 CV     1
 ASSI {   16}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 28   and name HB  ))
      2.900     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      6.679 ppm2      2.143 CV     1
 ASSI {   19}
   (  segid "    " and resid 58   and name HE% )
   (  segid "    " and resid 59   and name HD1%)
      2.700     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.16432E-02 ppm1      6.682 ppm2      0.836 CV     1
 OR {   19}
   (  segid "    " and resid 58   and name HE% )
   (  segid "    " and resid 59   and name HD2%)
 ASSI {   23}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.700     3.700     2.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.40043E-03 ppm1      5.686 ppm2      1.472 CV     1
 OR {   23}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {   25}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
      3.700     1.700     1.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.48417E-03 ppm1      5.684 ppm2      0.723 CV     1
 OR {   25}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 30   and name HG1%)
 ASSI {   26}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      3.500     3.500     2.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.56832E-03 ppm1      5.682 ppm2      0.647 CV     1
 ASSI {   28}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.19952E-02 ppm1      5.489 ppm2      3.715 CV     1
 ASSI {   30}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.800     1.800     1.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.41433E-03 ppm1      5.487 ppm2      1.518 CV     1
 ASSI {   31}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.600     3.600     2.400 peak    31 spectrum    1 weight  0.10000E+01 volume  0.53701E-03 ppm1      5.487 ppm2      1.404 CV     1
 OR {   31}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {   32}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      4.300     2.300     1.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.65629E-03 ppm1      5.485 ppm2      1.331 CV     1
 ASSI {   33}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      4.300     2.300     1.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.56015E-03 ppm1      5.484 ppm2      1.122 CV     1
 ASSI {   34}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.29538E-02 ppm1      5.454 ppm2      5.313 CV     1
 ASSI {   36}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.000     1.100     1.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.13869E-02 ppm1      5.456 ppm2      2.223 CV     1
 OR {   36}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 39   and name HG1 ))
 ASSI {   38}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.26023E-02 ppm1      5.454 ppm2      1.921 CV     1
 ASSI {   41}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.900     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.11724E-02 ppm1      5.317 ppm2      2.756 CV     1
 ASSI {   44}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.200     1.300     1.300 peak    44 spectrum    1 weight  0.10000E+01 volume  0.80483E-03 ppm1      5.315 ppm2      2.227 CV     1
 ASSI {   46}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.100     3.100     2.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.29652E-02 ppm1      5.310 ppm2      1.910 CV     1
 ASSI {   47}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      3.400     1.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.53959E-03 ppm1      5.311 ppm2      1.840 CV     1
 ASSI {   48}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HD1%)
      3.100     3.100     2.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.84870E-03 ppm1      5.308 ppm2      0.766 CV     1
 ASSI {   49}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HG11))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.13784E-02 ppm1      5.311 ppm2      0.711 CV     1
 ASSI {   53}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.600     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.21421E-02 ppm1      5.153 ppm2      3.365 CV     1
 OR {   53}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {   57}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      3.300     1.300     1.300 peak    57 spectrum    1 weight  0.10000E+01 volume  0.12207E-02 ppm1      5.154 ppm2      0.834 CV     1
 OR {   57}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {   58}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HG11))
      2.600     2.600     3.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.42698E-02 ppm1      5.159 ppm2      0.710 CV     1
 OR {   58}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HG12))
 ASSI {   60}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 25   and name HA2 ))
      3.700     1.700     1.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.41239E-03 ppm1      5.158 ppm2      3.977 CV     1
 OR {   60}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 25   and name HA1 ))
 ASSI {   62}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.26678E-02 ppm1      4.955 ppm2      3.179 CV     1
 OR {   62}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   63}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE2 ))
      3.200     1.300     1.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.72991E-03 ppm1      4.898 ppm2      2.934 CV     1
 OR {   63}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE1 ))
 ASSI {   65}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.900     1.900     1.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.47164E-03 ppm1      5.058 ppm2      1.501 CV     1
 ASSI {   66}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      4.100     2.100     1.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.42140E-03 ppm1      5.059 ppm2      1.322 CV     1
 ASSI {   68}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      2.400     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.33059E-02 ppm1      5.060 ppm2      0.818 CV     1
 ASSI {   69}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HG1%)
      2.400     2.400     3.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.42788E-02 ppm1      5.058 ppm2      0.720 CV     1
 ASSI {   71}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.800     1.000     1.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.18182E-02 ppm1      4.853 ppm2      2.547 CV     1
 ASSI {   72}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.14191E-02 ppm1      4.900 ppm2      1.961 CV     1
 OR {   72}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {   73}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.500     1.500     1.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.13110E-02 ppm1      4.954 ppm2      1.915 CV     1
 ASSI {   74}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HB  ))
      2.400     2.400     3.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      4.953 ppm2      1.881 CV     1
 ASSI {   75}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
      3.900     1.900     1.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.99778E-03 ppm1      4.979 ppm2      1.178 CV     1
 ASSI {   79}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.18882E-02 ppm1      4.824 ppm2      1.488 CV     1
 ASSI {   81}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.96500E-03 ppm1      4.824 ppm2      1.285 CV     1
 ASSI {   83}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
      2.600     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.28778E-02 ppm1      4.824 ppm2      0.862 CV     1
 ASSI {   84}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      2.900     1.000     1.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.12357E-02 ppm1      4.825 ppm2      0.710 CV     1
 ASSI {   85}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 52   and name HG11))
      3.400     1.500     1.500 peak    85 spectrum    1 weight  0.10000E+01 volume  0.66570E-03 ppm1      4.840 ppm2      0.751 CV     1
 OR {   85}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 52   and name HG12))
 ASSI {   86}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.700     0.900     0.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.20541E-02 ppm1      4.899 ppm2      1.401 CV     1
 OR {   86}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {   88}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      2.300     2.300     3.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.44731E-02 ppm1      4.978 ppm2      0.762 CV     1
 ASSI {   89}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HG2%)
      2.200     0.600     0.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.64665E-02 ppm1      4.978 ppm2      0.714 CV     1
 ASSI {   91}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      3.100     1.200     1.200 peak    91 spectrum    1 weight  0.10000E+01 volume  0.11180E-02 ppm1      4.971 ppm2      0.589 CV     1
 ASSI {   92}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     1.500     1.500 peak    92 spectrum    1 weight  0.10000E+01 volume  0.80900E-03 ppm1      4.582 ppm2      4.061 CV     1
 ASSI {   94}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.700     1.700     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.50553E-03 ppm1      4.600 ppm2      3.179 CV     1
 OR {   94}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {   97}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.400     2.400     3.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.43255E-02 ppm1      4.590 ppm2      2.793 CV     1
 OR {   97}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {   98}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.100     3.100     2.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.15603E-02 ppm1      4.582 ppm2      2.508 CV     1
 ASSI {  100}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600     0.800     0.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.29107E-02 ppm1      4.526 ppm2      2.921 CV     1
 ASSI {  101}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.700     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.23759E-02 ppm1      4.466 ppm2      3.017 CV     1
 ASSI {  104}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.200     0.600     0.600 peak   104 spectrum    1 weight  0.10000E+01 volume  0.72165E-02 ppm1      4.447 ppm2      3.864 CV     1
 OR {  104}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  105}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.700     2.700     3.300 peak   105 spectrum    1 weight  0.10000E+01 volume  0.37664E-02 ppm1      4.438 ppm2      3.915 CV     1
 OR {  105}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI {  106}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      5.500     3.800     0.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.35862E-04 ppm1      4.405 ppm2      4.032 CV     1
 ASSI {  109}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.500     2.500     3.500 peak   109 spectrum    1 weight  0.10000E+01 volume  0.28947E-02 ppm1      4.602 ppm2      1.938 CV     1
 ASSI {  110}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      2.800     2.800     3.200 peak   110 spectrum    1 weight  0.10000E+01 volume  0.20818E-02 ppm1      4.602 ppm2      1.843 CV     1
 ASSI {  117}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 35   and name HG1%)
      2.600     2.600     3.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.83267E-03 ppm1      4.525 ppm2      0.654 CV     1
 ASSI {  118}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
      2.700     2.700     3.300 peak   118 spectrum    1 weight  0.10000E+01 volume  0.24170E-02 ppm1      4.492 ppm2      0.890 CV     1
 OR {  118}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 40   and name HG1%)
 ASSI {  120}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      2.800     2.800     3.200 peak   120 spectrum    1 weight  0.10000E+01 volume  0.21345E-02 ppm1      4.489 ppm2      0.947 CV     1
 ASSI {  121}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HB% )
      2.300     0.600     0.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.59816E-02 ppm1      4.492 ppm2      1.340 CV     1
 ASSI {  124}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 70   and name HB% )
      3.300     1.400     1.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.76060E-03 ppm1      4.407 ppm2      1.395 CV     1
 ASSI {  130}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG1%)
      2.300     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.54549E-02 ppm1      4.325 ppm2      0.654 CV     1
 ASSI {  132}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HD1%)
      2.600     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.25837E-02 ppm1      4.298 ppm2      0.844 CV     1
 ASSI {  134}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HG11))
      2.200     2.200     3.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.93441E-02 ppm1      4.278 ppm2      1.223 CV     1
 ASSI {  136}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      2.900     1.100     1.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.10308E-02 ppm1      4.345 ppm2      1.515 CV     1
 ASSI {  137}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.800     2.800     3.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.29828E-02 ppm1      4.347 ppm2      1.573 CV     1
 OR {  137}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  138}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     2.800     3.200 peak   138 spectrum    1 weight  0.10000E+01 volume  0.35939E-02 ppm1      4.349 ppm2      1.670 CV     1
 ASSI {  139}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.600     2.600     3.400 peak   139 spectrum    1 weight  0.10000E+01 volume  0.26008E-02 ppm1      4.303 ppm2      1.588 CV     1
 ASSI {  140}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      2.800     1.000     1.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.16551E-02 ppm1      4.324 ppm2      1.870 CV     1
 ASSI {  141}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.400     0.700     0.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.37640E-02 ppm1      4.295 ppm2      1.988 CV     1
 ASSI {  142}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.400     0.700     0.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.36764E-02 ppm1      4.287 ppm2      2.048 CV     1
 ASSI {  143}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.100     1.200     1.200 peak   143 spectrum    1 weight  0.10000E+01 volume  0.15216E-02 ppm1      4.293 ppm2      2.366 CV     1
 OR {  143}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  146}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     2.800     3.200 peak   146 spectrum    1 weight  0.10000E+01 volume  0.27272E-02 ppm1      4.209 ppm2      1.675 CV     1
 OR {  146}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  148}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.800     2.800     3.200 peak   148 spectrum    1 weight  0.10000E+01 volume  0.32527E-02 ppm1      4.208 ppm2      1.869 CV     1
 OR {  148}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  151}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.700     0.900     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.23205E-02 ppm1      4.150 ppm2      2.241 CV     1
 OR {  151}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG1 ))
 ASSI {  152}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HG1 ))
      2.500     2.500     3.500 peak   152 spectrum    1 weight  0.10000E+01 volume  0.25295E-02 ppm1      4.120 ppm2      2.237 CV     1
 OR {  152}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI {  155}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB  ))
      2.400     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.28776E-02 ppm1      4.154 ppm2      2.116 CV     1
 ASSI {  157}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.600     2.600     3.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.46343E-02 ppm1      4.093 ppm2      1.982 CV     1
 ASSI {  158}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.100     0.500     0.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.82446E-02 ppm1      4.120 ppm2      2.014 CV     1
 ASSI {  159}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.500     2.500     3.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.56747E-02 ppm1      4.089 ppm2      1.877 CV     1
 OR {  159}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  161}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     2.800     3.200 peak   161 spectrum    1 weight  0.10000E+01 volume  0.35453E-02 ppm1      4.107 ppm2      1.670 CV     1
 ASSI {  167}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.900     2.900     3.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.22106E-02 ppm1      4.121 ppm2      1.107 CV     1
 ASSI {  172}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      2.100     2.100     3.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.12984E-01 ppm1      4.118 ppm2      0.838 CV     1
 ASSI {  173}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      2.600     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.24720E-02 ppm1      3.973 ppm2      0.645 CV     1
 OR {  173}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI {  175}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 44   and name HG12))
      2.800     2.800     3.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.41971E-02 ppm1      3.922 ppm2      0.793 CV     1
 ASSI {  176}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.600     2.600     3.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.25375E-02 ppm1      4.034 ppm2      0.925 CV     1
 ASSI {  179}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HB  ))
      3.000     3.000     3.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.21613E-02 ppm1      3.918 ppm2      1.754 CV     1
 ASSI {  180}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.100     1.200     1.200 peak   180 spectrum    1 weight  0.10000E+01 volume  0.22906E-02 ppm1      3.921 ppm2      2.013 CV     1
 ASSI {  184}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.93791E-03 ppm1      3.976 ppm2      1.335 CV     1
 OR {  184}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {  186}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 36   and name HG2 ))
      3.400     1.500     1.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.10118E-02 ppm1      3.994 ppm2      2.154 CV     1
 OR {  186}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  190}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
      2.800     2.800     3.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.29618E-02 ppm1      4.157 ppm2      2.810 CV     1
 ASSI {  191}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.800     2.800     3.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.20912E-02 ppm1      4.088 ppm2      2.787 CV     1
 OR {  191}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI {  197}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 48   and name HE2 ))
      3.400     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.58386E-03 ppm1      4.007 ppm2      2.904 CV     1
 OR {  197}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 48   and name HE2 ))
 OR {  197}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 48   and name HE1 ))
 OR {  197}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 48   and name HE1 ))
 ASSI {  199}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HA  ))
      2.200     2.200     3.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.11610E-01 ppm1      4.210 ppm2      4.269 CV     1
 ASSI {  200}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     2.500     3.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.35644E-02 ppm1      4.283 ppm2      4.147 CV     1
 ASSI {  202}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     2.500     3.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.41297E-02 ppm1      3.385 ppm2      3.281 CV     1
 ASSI {  203}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.800     2.800     3.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.24842E-02 ppm1      3.389 ppm2      3.017 CV     1
 ASSI {  204}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
      2.000     0.500     0.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.74483E-02 ppm1      3.268 ppm2      3.018 CV     1
 ASSI {  205}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 58   and name HB1 ))
      3.000     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.15799E-02 ppm1      3.369 ppm2      2.828 CV     1
 OR {  205}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 58   and name HB1 ))
 ASSI {  208}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.28603E-02 ppm1      2.728 ppm2      2.561 CV     1
 ASSI {  210}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.600     1.700     1.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.13856E-02 ppm1      2.760 ppm2      1.918 CV     1
 ASSI {  211}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.600     1.600     1.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      3.398 ppm2      2.383 CV     1
 OR {  211}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  213}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak   213 spectrum    1 weight  0.10000E+01 volume  0.84639E-03 ppm1      3.383 ppm2      1.935 CV     1
 OR {  213}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  215}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 40   and name HB  ))
      3.400     3.400     2.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.91247E-03 ppm1      3.286 ppm2      1.942 CV     1
 ASSI {  217}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.800     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.14637E-02 ppm1      3.397 ppm2      1.656 CV     1
 ASSI {  218}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 42   and name HG  ))
      3.300     3.300     2.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.10085E-02 ppm1      3.396 ppm2      1.553 CV     1
 ASSI {  220}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 40   and name HG1%)
      2.600     2.600     3.400 peak   220 spectrum    1 weight  0.10000E+01 volume  0.30628E-02 ppm1      3.396 ppm2      0.889 CV     1
 OR {  220}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI {  222}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      2.800     2.800     3.200 peak   222 spectrum    1 weight  0.10000E+01 volume  0.35541E-02 ppm1      3.397 ppm2      0.615 CV     1
 ASSI {  223}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 48   and name HD2 ))
      3.100     1.200     1.200 peak   223 spectrum    1 weight  0.10000E+01 volume  0.18253E-02 ppm1      3.156 ppm2      1.044 CV     1
 OR {  223}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 48   and name HD1 ))
 OR {  223}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  232}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 31   and name HG2 ))
      3.500     3.500     2.500 peak   232 spectrum    1 weight  0.10000E+01 volume  0.65966E-03 ppm1      3.023 ppm2      1.447 CV     1
 OR {  232}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 31   and name HG1 ))
 ASSI {  238}
   (( segid "    " and resid 41   and name HE2 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     2.700     3.300 peak   238 spectrum    1 weight  0.10000E+01 volume  0.26521E-02 ppm1      2.778 ppm2      1.518 CV     1
 OR {  238}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  239}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.31507E-02 ppm1      2.799 ppm2      1.533 CV     1
 OR {  239}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  240}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.500     1.500     1.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.78165E-03 ppm1      2.798 ppm2      1.638 CV     1
 OR {  240}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
 OR {  240}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR {  240}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  243}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 41   and name HB1 ))
      2.600     2.600     3.400 peak   243 spectrum    1 weight  0.10000E+01 volume  0.22782E-02 ppm1      2.940 ppm2      1.436 CV     1
 OR {  243}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  244}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 18   and name HG12))
      2.400     2.400     3.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      2.943 ppm2      1.372 CV     1
 OR {  244}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  247}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 62   and name HB2 ))
      3.100     3.100     2.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.12092E-02 ppm1      2.544 ppm2      1.958 CV     1
 ASSI {  248}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 50   and name HG11))
      3.300     3.300     2.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.83107E-03 ppm1      2.536 ppm2      1.433 CV     1
 OR {  248}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 50   and name HG12))
 ASSI {  249}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.500     1.600     1.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.15482E-02 ppm1      2.406 ppm2      1.918 CV     1
 ASSI {  251}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
      2.100     0.600     0.600 peak   251 spectrum    1 weight  0.10000E+01 volume  0.80256E-02 ppm1      2.247 ppm2      2.023 CV     1
 OR {  251}
   (( segid "    " and resid 63   and name HG1 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  253}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.200     0.600     0.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.51503E-02 ppm1      2.160 ppm2      1.884 CV     1
 OR {  253}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  254}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 41   and name HB2 ))
      3.500     1.500     1.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.11469E-02 ppm1      2.165 ppm2      1.576 CV     1
 OR {  254}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  256}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 57   and name HG12))
      2.700     0.900     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.21958E-02 ppm1      2.131 ppm2      1.460 CV     1
 ASSI {  257}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 24   and name HG12))
      2.500     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.21864E-02 ppm1      2.129 ppm2      1.317 CV     1
 OR {  257}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 24   and name HG11))
 ASSI {  259}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
      2.100     2.100     3.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.30717E-02 ppm1      2.019 ppm2      0.899 CV     1
 OR {  259}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI {  261}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
      2.900     1.100     1.100 peak   261 spectrum    1 weight  0.10000E+01 volume  0.15740E-02 ppm1      1.882 ppm2      1.332 CV     1
 ASSI {  262}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG  ))
      2.600     0.800     0.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.18345E-02 ppm1      1.885 ppm2      1.472 CV     1
 OR {  262}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI {  263}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     2.800     3.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.26489E-02 ppm1      1.903 ppm2      1.598 CV     1
 OR {  263}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  264}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 33   and name HB  ))
      2.300     2.300     3.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.92766E-02 ppm1      1.665 ppm2      1.518 CV     1
 OR {  264}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 33   and name HB  ))
 ASSI {  265}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      2.400     0.700     0.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.33925E-02 ppm1      1.883 ppm2      0.887 CV     1
 ASSI {  267}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      2.000     0.500     0.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.87805E-02 ppm1      1.880 ppm2      0.767 CV     1
 ASSI {  269}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG1%)
      2.200     2.200     3.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.58843E-02 ppm1      1.878 ppm2      0.654 CV     1
 ASSI {  272}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      2.300     2.300     3.700 peak   272 spectrum    1 weight  0.10000E+01 volume  0.67782E-02 ppm1      1.765 ppm2      0.791 CV     1
 ASSI {  274}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 18   and name HG2%)
      2.800     2.800     3.200 peak   274 spectrum    1 weight  0.10000E+01 volume  0.37724E-02 ppm1      1.694 ppm2      0.950 CV     1
 OR {  274}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  276}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      2.000     2.000     4.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.12206E-01 ppm1      1.519 ppm2      0.835 CV     1
 ASSI {  280}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      2.100     0.500     0.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.65842E-02 ppm1      1.531 ppm2      1.049 CV     1
 ASSI {  281}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HD2 ))
      2.300     0.600     0.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.61494E-02 ppm1      1.481 ppm2      1.054 CV     1
 OR {  281}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HD1 ))
 OR {  281}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HD2 ))
 OR {  281}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  282}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 41   and name HG1 ))
      2.600     2.600     3.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.28931E-02 ppm1      1.532 ppm2      1.119 CV     1
 ASSI {  283}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG11))
      2.000     0.500     0.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.11996E-01 ppm1      1.517 ppm2      1.340 CV     1
 OR {  283}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {  286}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HD1%)
      2.200     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.67778E-02 ppm1      1.353 ppm2      0.714 CV     1
 OR {  286}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HD1%)
 OR {  286}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HG2%)
 OR {  286}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HG2%)
 ASSI {  287}
   (( segid "    " and resid 6    and name HG12))
   (  segid "    " and resid 6    and name HD1%)
      2.200     0.600     0.600 peak   287 spectrum    1 weight  0.10000E+01 volume  0.70034E-02 ppm1      1.357 ppm2      0.831 CV     1
 OR {  287}
   (( segid "    " and resid 6    and name HG11))
   (  segid "    " and resid 6    and name HD1%)
 ASSI {  288}
   (( segid "    " and resid 61   and name HG11))
   (( segid "    " and resid 44   and name HG11))
      2.700     2.700     3.300 peak   288 spectrum    1 weight  0.10000E+01 volume  0.63866E-02 ppm1      1.195 ppm2      0.713 CV     1
 ASSI {  290}
   (( segid "    " and resid 41   and name HG1 ))
   (  segid "    " and resid 13   and name HG2%)
      2.300     2.300     3.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.42836E-02 ppm1      1.117 ppm2      0.792 CV     1
 ASSI {  291}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 43   and name HA2 ))
      2.700     0.900     0.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.11143E-02 ppm1      5.059 ppm2      5.109 CV     1
 ASSI {  294}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.400     0.700     0.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.38990E-02 ppm1      4.246 ppm2      3.019 CV     1
 ASSI {  296}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 22   and name HG11))
      3.100     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.11063E-02 ppm1      4.957 ppm2      1.277 CV     1
 OR {  296}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 22   and name HG12))
 ASSI {  298}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.400     0.700     0.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.35979E-02 ppm1      1.564 ppm2      1.278 CV     1
 ASSI {  299}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      1.902 ppm2      1.276 CV     1
 ASSI {  301}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 41   and name HB1 ))
      2.700     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.13880E-02 ppm1      2.192 ppm2      1.440 CV     1
 OR {  301}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  303}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HG12))
      2.500     0.800     0.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.33288E-02 ppm1      1.760 ppm2      1.456 CV     1
 ASSI {  304}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HG1 ))
      2.400     0.700     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.59034E-02 ppm1      1.420 ppm2      1.120 CV     1
 ASSI {  305}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 61   and name HG11))
      2.300     2.300     3.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.65225E-02 ppm1      1.492 ppm2      1.196 CV     1
 ASSI {  308}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.700     1.700     1.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.64274E-03 ppm1      4.522 ppm2      1.872 CV     1
 ASSI {  310}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 60   and name HB  ))
      3.000     3.000     3.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.15781E-02 ppm1      3.923 ppm2      4.283 CV     1
 ASSI {  311}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HB% )
      1.800     1.800     4.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.18941E-01 ppm1      4.220 ppm2      1.390 CV     1
 ASSI {  312}
   (( segid "    " and resid 53   and name HE1 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.600     1.600     1.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.55997E-03 ppm1      8.379 ppm2      7.190 CV     1
 ASSI {  314}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 58   and name HD% )
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.14830E-02 ppm1      7.184 ppm2      6.833 CV     1
 ASSI {  316}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 58   and name HE% )
      3.200     1.200     1.200 peak   316 spectrum    1 weight  0.10000E+01 volume  0.70189E-03 ppm1      7.184 ppm2      6.689 CV     1
 ASSI {  318}
   (( segid "    " and resid 53   and name HE1 ))
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.100     1.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.27583E-03 ppm1      8.392 ppm2      5.153 CV     1
 ASSI {  320}
   (( segid "    " and resid 53   and name HE1 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.900     1.900     1.900 peak   320 spectrum    1 weight  0.10000E+01 volume  0.41887E-03 ppm1      8.382 ppm2      2.503 CV     1
 ASSI {  321}
   (( segid "    " and resid 53   and name HE1 ))
   (( segid "    " and resid 57   and name HB  ))
      3.700     1.700     1.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.31717E-03 ppm1      8.385 ppm2      2.122 CV     1
 ASSI {  325}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 58   and name HB1 ))
      3.500     1.500     1.500 peak   325 spectrum    1 weight  0.10000E+01 volume  0.73156E-03 ppm1      7.187 ppm2      2.827 CV     1
 ASSI {  326}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
      3.700     1.700     1.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.44571E-03 ppm1      7.185 ppm2      2.588 CV     1
 ASSI {  329}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 27   and name HB2 ))
      4.900     3.000     1.100 peak   329 spectrum    1 weight  0.10000E+01 volume  0.78262E-04 ppm1      7.186 ppm2      2.737 CV     1
 ASSI {  336}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 48   and name HB1 ))
      3.800     1.800     1.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.62609E-03 ppm1      8.592 ppm2      1.505 CV     1
 OR {  336}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  341}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 9    and name HG1 ))
      3.400     3.400     2.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.48577E-03 ppm1      7.296 ppm2      1.550 CV     1
 ASSI {  342}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 48   and name HB1 ))
      3.700     3.700     2.300 peak   342 spectrum    1 weight  0.10000E+01 volume  0.52928E-03 ppm1      7.299 ppm2      1.490 CV     1
 OR {  342}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  350}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 51   and name HB2 ))
      4.000     2.000     2.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.46210E-03 ppm1      8.167 ppm2      2.548 CV     1
 ASSI {  351}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.600     1.600     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.69332E-03 ppm1      8.165 ppm2      2.513 CV     1
 ASSI {  352}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 50   and name HG11))
      3.500     3.500     2.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.59305E-03 ppm1      8.166 ppm2      1.427 CV     1
 OR {  352}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 50   and name HG12))
 ASSI {  356}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 52   and name HG12))
      3.000     1.100     1.100 peak   356 spectrum    1 weight  0.10000E+01 volume  0.12127E-02 ppm1      7.093 ppm2      0.749 CV     1
 OR {  356}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 52   and name HG11))
 ASSI {  359}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HD2 ))
      3.500     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.82290E-03 ppm1      8.294 ppm2      7.084 CV     1
 ASSI {  361}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak   361 spectrum    1 weight  0.10000E+01 volume  0.80993E-03 ppm1      8.292 ppm2      3.091 CV     1
 ASSI {  362}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.600     3.600     2.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.70718E-03 ppm1      8.294 ppm2      3.020 CV     1
 ASSI {  363}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.800     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.34488E-02 ppm1      7.081 ppm2      3.094 CV     1
 ASSI {  364}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB1 ))
      2.300     0.700     0.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.43391E-02 ppm1      7.083 ppm2      3.016 CV     1
 ASSI {  367}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.400     1.400 peak   367 spectrum    1 weight  0.10000E+01 volume  0.89648E-03 ppm1      4.960 ppm2      5.686 CV     1
 ASSI {  368}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   368 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      4.909 ppm2      5.490 CV     1
 ASSI {  370}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 26   and name HB% )
      3.000     3.000     3.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.11606E-02 ppm1      4.854 ppm2      1.383 CV     1
 ASSI {  373}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 39   and name HG1 ))
      3.800     1.800     1.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.42546E-03 ppm1      4.898 ppm2      2.211 CV     1
 OR {  373}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI {  376}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak   376 spectrum    1 weight  0.10000E+01 volume  0.96447E-03 ppm1      4.953 ppm2      1.639 CV     1
 OR {  376}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  378}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.81136E-03 ppm1      4.977 ppm2      1.643 CV     1
 OR {  378}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  380}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.100     1.200     1.200 peak   380 spectrum    1 weight  0.10000E+01 volume  0.87628E-03 ppm1      4.960 ppm2      1.546 CV     1
 OR {  380}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  384}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.900     1.900     1.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.46716E-03 ppm1      4.459 ppm2      3.737 CV     1
 ASSI {  387}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HB% )
      1.900     1.900     4.100 peak   387 spectrum    1 weight  0.10000E+01 volume  0.18941E-01 ppm1      4.220 ppm2      1.390 CV     1
 ASSI {  388}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      2.900     2.900     3.100 peak   388 spectrum    1 weight  0.10000E+01 volume  0.20651E-02 ppm1      4.410 ppm2      0.634 CV     1
 ASSI {  391}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
      3.300     3.300     2.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.18167E-02 ppm1      4.326 ppm2      2.141 CV     1
 OR {  391}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI {  392}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      2.700     2.700     3.300 peak   392 spectrum    1 weight  0.10000E+01 volume  0.19285E-02 ppm1      4.347 ppm2      2.114 CV     1
 OR {  392}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI {  394}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      2.000     2.000     4.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.50002E-02 ppm1      4.097 ppm2      0.883 CV     1
 ASSI {  396}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 37   and name HA2 ))
      2.300     0.600     0.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.37581E-02 ppm1      3.573 ppm2      3.989 CV     1
 ASSI {  397}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   397 spectrum    1 weight  0.10000E+01 volume  0.21861E-02 ppm1      3.389 ppm2      4.462 CV     1
 ASSI {  401}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
      3.000     3.000     3.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.17856E-02 ppm1      2.398 ppm2      0.618 CV     1
 OR {  401}
   (( segid "    " and resid 20   and name HG1 ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  403}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.40832E-02 ppm1      2.513 ppm2      2.582 CV     1
 ASSI {  404}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   404 spectrum    1 weight  0.10000E+01 volume  0.17819E-02 ppm1      2.418 ppm2      1.993 CV     1
 ASSI {  406}
   (( segid "    " and resid 61   and name HG11))
   (  segid "    " and resid 24   and name HD1%)
      2.700     2.700     3.300 peak   406 spectrum    1 weight  0.10000E+01 volume  0.20428E-02 ppm1      1.201 ppm2      0.650 CV     1
 ASSI {  407}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HD2%)
      2.400     2.400     3.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.36153E-02 ppm1      1.513 ppm2      0.541 CV     1
 ASSI {  408}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
      2.000     2.000     4.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.12570E-01 ppm1      0.920 ppm2      0.644 CV     1
 ASSI {  421}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.22664E-02 ppm1      2.615 ppm2      4.582 CV     1
 OR {  421}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  427}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 25   and name HA2 ))
      3.100     1.200     1.200 peak   427 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1      3.130 ppm2      3.982 CV     1
 OR {  427}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 25   and name HA1 ))
 ASSI {  428}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 25   and name HA2 ))
      3.400     1.400     1.400 peak   428 spectrum    1 weight  0.10000E+01 volume  0.76824E-03 ppm1      2.830 ppm2      3.979 CV     1
 OR {  428}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 25   and name HA1 ))
 ASSI {  432}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HD% )
      3.100     3.100     2.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.21326E-02 ppm1      4.170 ppm2      6.836 CV     1
 ASSI {  434}
   (( segid "    " and resid 58   and name HB1 ))
   (  segid "    " and resid 58   and name HD% )
      2.400     0.700     0.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.23822E-02 ppm1      2.820 ppm2      6.836 CV     1
 ASSI {  444}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HE% )
      3.800     1.800     1.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.53683E-03 ppm1      4.182 ppm2      6.683 CV     1
 ASSI {  445}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 58   and name HE% )
      3.700     1.700     1.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.52178E-03 ppm1      4.305 ppm2      6.674 CV     1
 ASSI {  449}
   (  segid "    " and resid 35   and name HG2%)
   (  segid "    " and resid 35   and name HG1%)
      2.000     2.000     4.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.12570E-01 ppm1      0.920 ppm2      0.644 CV     1
 ASSI {  450}
   (( segid "    " and resid 61   and name HG11))
   (  segid "    " and resid 22   and name HG2%)
      2.900     2.900     3.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.20428E-02 ppm1      1.201 ppm2      0.650 CV     1
 ASSI {  454}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG11))
      2.700     0.900     0.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.21526E-02 ppm1      5.688 ppm2      1.275 CV     1
 OR {  454}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG12))
 ASSI {  456}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.100     3.100     2.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.99742E-03 ppm1      5.156 ppm2      0.576 CV     1
 ASSI {  458}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HD1%)
      2.500     2.500     3.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.39307E-02 ppm1      1.777 ppm2      0.832 CV     1
 ASSI {  463}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.13218E-02 ppm1      2.236 ppm2      5.446 CV     1
 ASSI {  464}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.17602E-02 ppm1      2.406 ppm2      5.313 CV     1
 ASSI {  466}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.23175E-02 ppm1      1.928 ppm2      5.293 CV     1
 OR {  466}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  469}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.12539E-02 ppm1      1.889 ppm2      4.958 CV     1
 ASSI {  477}
   (  segid "    " and resid 30   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
      3.100     3.100     2.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.15345E-02 ppm1      0.720 ppm2      5.304 CV     1
 OR {  477}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  478}
   (  segid "    " and resid 46   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   478 spectrum    1 weight  0.10000E+01 volume  0.17262E-02 ppm1      1.204 ppm2      5.208 CV     1
 ASSI {  481}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HA2 ))
      3.400     1.500     1.500 peak   481 spectrum    1 weight  0.10000E+01 volume  0.92681E-03 ppm1      2.162 ppm2      3.982 CV     1
 ASSI {  485}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 25   and name HA1 ))
      3.400     3.400     2.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.12632E-02 ppm1      2.099 ppm2      4.022 CV     1
 ASSI {  486}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.24462E-02 ppm1      2.213 ppm2      4.347 CV     1
 ASSI {  487}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     3.100     2.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.18226E-02 ppm1      2.053 ppm2      4.346 CV     1
 ASSI {  489}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     3.000     3.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.23173E-02 ppm1      1.984 ppm2      4.293 CV     1
 ASSI {  491}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     3.400     2.600 peak   491 spectrum    1 weight  0.10000E+01 volume  0.12040E-02 ppm1      2.131 ppm2      4.346 CV     1
 ASSI {  493}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.200     2.200     3.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.25477E-02 ppm1      1.883 ppm2      4.204 CV     1
 ASSI {  495}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     2.300     3.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.18439E-02 ppm1      2.049 ppm2      4.202 CV     1
 ASSI {  497}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak   497 spectrum    1 weight  0.10000E+01 volume  0.46219E-02 ppm1      2.033 ppm2      4.155 CV     1
 ASSI {  498}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.500     2.500     3.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.69359E-02 ppm1      2.031 ppm2      4.113 CV     1
 ASSI {  499}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     2.700     3.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.39027E-02 ppm1      1.990 ppm2      4.090 CV     1
 ASSI {  502}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.500     1.500 peak   502 spectrum    1 weight  0.10000E+01 volume  0.12605E-02 ppm1      2.095 ppm2      4.599 CV     1
 ASSI {  503}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   503 spectrum    1 weight  0.10000E+01 volume  0.12004E-02 ppm1      2.035 ppm2      4.595 CV     1
 OR {  503}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  504}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.400     1.400 peak   504 spectrum    1 weight  0.10000E+01 volume  0.18757E-02 ppm1      1.955 ppm2      4.598 CV     1
 ASSI {  509}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     3.200     2.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.15933E-02 ppm1      1.397 ppm2      4.891 CV     1
 ASSI {  510}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   510 spectrum    1 weight  0.10000E+01 volume  0.83360E-03 ppm1      1.326 ppm2      4.950 CV     1
 ASSI {  512}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.200     1.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.15150E-02 ppm1      0.881 ppm2      4.821 CV     1
 ASSI {  513}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     3.300     2.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.11306E-02 ppm1      1.407 ppm2      4.594 CV     1
 ASSI {  514}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak   514 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      1.395 ppm2      4.616 CV     1
 ASSI {  517}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      2.500     2.500     3.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.12147E-02 ppm1      0.712 ppm2      4.407 CV     1
 ASSI {  518}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      3.100     3.100     2.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.17890E-02 ppm1      0.653 ppm2      4.405 CV     1
 ASSI {  520}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      2.000     2.000     4.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.43135E-02 ppm1      0.870 ppm2      4.341 CV     1
 ASSI {  521}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 60   and name HB  ))
      2.700     0.900     0.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.21954E-02 ppm1      0.866 ppm2      4.290 CV     1
 ASSI {  522}
   (( segid "    " and resid 83   and name HD2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.000     1.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.25844E-02 ppm1      1.687 ppm2      4.341 CV     1
 ASSI {  523}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.21834E-02 ppm1      1.587 ppm2      4.341 CV     1
 ASSI {  524}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.11266E-01 ppm1      1.401 ppm2      4.302 CV     1
 ASSI {  525}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 68   and name HA  ))
      2.000     0.500     0.500 peak   525 spectrum    1 weight  0.10000E+01 volume  0.14363E-01 ppm1      1.406 ppm2      4.213 CV     1
 ASSI {  527}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     2.900     3.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.16049E-02 ppm1      1.132 ppm2      4.119 CV     1
 ASSI {  530}
   (( segid "    " and resid 57   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak   530 spectrum    1 weight  0.10000E+01 volume  0.17627E-02 ppm1      1.474 ppm2      3.916 CV     1
 ASSI {  532}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     2.900     3.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.19348E-02 ppm1      1.691 ppm2      4.203 CV     1
 ASSI {  533}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.400     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.13118E-02 ppm1      1.620 ppm2      4.201 CV     1
 ASSI {  535}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HB2 ))
      2.300     0.700     0.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.32418E-02 ppm1      2.822 ppm2      3.112 CV     1
 ASSI {  536}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.37176E-02 ppm1      2.627 ppm2      2.920 CV     1
 ASSI {  538}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.14992E-02 ppm1      2.408 ppm2      2.761 CV     1
 ASSI {  539}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 53   and name HB1 ))
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.13317E-02 ppm1      2.828 ppm2      3.349 CV     1
 ASSI {  540}
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.600     2.600     3.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.20672E-02 ppm1      2.176 ppm2      2.575 CV     1
 ASSI {  542}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HD2 ))
      2.900     1.100     1.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18718E-02 ppm1      1.878 ppm2      3.179 CV     1
 ASSI {  543}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.800     1.000     1.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.17844E-02 ppm1      1.832 ppm2      3.179 CV     1
 ASSI {  544}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 17   and name HE1 ))
      2.900     2.900     3.100 peak   544 spectrum    1 weight  0.10000E+01 volume  0.16000E-02 ppm1      1.981 ppm2      2.932 CV     1
 OR {  544}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 17   and name HE2 ))
 ASSI {  546}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.400     0.700     0.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.33036E-02 ppm1      1.625 ppm2      3.179 CV     1
 ASSI {  549}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 41   and name HE2 ))
      2.100     2.100     3.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.30289E-02 ppm1      1.528 ppm2      2.771 CV     1
 ASSI {  552}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HE2 ))
      2.700     0.900     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.29853E-02 ppm1      1.407 ppm2      2.934 CV     1
 ASSI {  553}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HE1 ))
      2.500     0.800     0.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.20226E-02 ppm1      1.435 ppm2      2.758 CV     1
 ASSI {  554}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HE2 ))
      3.000     1.200     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.24683E-02 ppm1      1.351 ppm2      2.758 CV     1
 ASSI {  555}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.300     0.700     0.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.25720E-02 ppm1      1.408 ppm2      2.753 CV     1
 ASSI {  556}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HE2 ))
      2.600     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.17524E-02 ppm1      1.135 ppm2      2.759 CV     1
 ASSI {  557}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HE2 ))
      2.400     0.700     0.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.31987E-02 ppm1      1.063 ppm2      2.894 CV     1
 ASSI {  558}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 10   and name HB1 ))
      3.200     1.300     1.300 peak   558 spectrum    1 weight  0.10000E+01 volume  0.13940E-02 ppm1      1.068 ppm2      3.161 CV     1
 OR {  558}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  562}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HA1 ))
      2.800     2.800     3.200 peak   562 spectrum    1 weight  0.10000E+01 volume  0.15726E-02 ppm1      1.538 ppm2      3.981 CV     1
 ASSI {  563}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.14347E-02 ppm1      1.582 ppm2      3.983 CV     1
 ASSI {  565}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.13181E-02 ppm1      1.349 ppm2      3.980 CV     1
 ASSI {  566}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 25   and name HA2 ))
      3.400     1.400     1.400 peak   566 spectrum    1 weight  0.10000E+01 volume  0.10054E-02 ppm1      1.304 ppm2      3.979 CV     1
 ASSI {  567}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.500     1.500     1.500 peak   567 spectrum    1 weight  0.10000E+01 volume  0.69181E-03 ppm1      1.397 ppm2      3.952 CV     1
 ASSI {  568}
   (( segid "    " and resid 50   and name HG11))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      1.417 ppm2      4.027 CV     1
 ASSI {  573}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.100     1.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.13744E-02 ppm1      1.353 ppm2      4.132 CV     1
 ASSI {  574}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 59   and name HA  ))
      4.000     2.000     2.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.97317E-03 ppm1      1.298 ppm2      4.147 CV     1
 ASSI {  582}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 62   and name HA  ))
      2.600     2.600     3.400 peak   582 spectrum    1 weight  0.10000E+01 volume  0.32035E-02 ppm1      0.731 ppm2      4.132 CV     1
 ASSI {  583}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      3.100     3.100     2.900 peak   583 spectrum    1 weight  0.10000E+01 volume  0.13116E-02 ppm1      0.685 ppm2      4.147 CV     1
 ASSI {  584}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 51   and name HA  ))
      2.600     2.600     3.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.53608E-02 ppm1      0.720 ppm2      4.056 CV     1
 ASSI {  586}
   (  segid "    " and resid 30   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
      2.800     2.800     3.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.27115E-02 ppm1      0.725 ppm2      3.959 CV     1
 ASSI {  587}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 37   and name HA2 ))
      2.800     2.800     3.200 peak   587 spectrum    1 weight  0.10000E+01 volume  0.23690E-02 ppm1      0.654 ppm2      3.962 CV     1
 ASSI {  588}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.19646E-02 ppm1      0.636 ppm2      3.962 CV     1
 ASSI {  590}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.100     3.100     2.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.11279E-02 ppm1      2.013 ppm2      2.546 CV     1
 ASSI {  591}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.700     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.19364E-02 ppm1      2.043 ppm2      2.385 CV     1
 OR {  591}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  592}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG1 ))
      2.700     0.900     0.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.21809E-02 ppm1      2.001 ppm2      2.403 CV     1
 OR {  592}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HG2 ))
 OR {  592}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HG1 ))
 OR {  592}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  595}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      3.100     3.100     2.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.15101E-02 ppm1      1.908 ppm2      2.382 CV     1
 ASSI {  596}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.300     0.600     0.600 peak   596 spectrum    1 weight  0.10000E+01 volume  0.46405E-02 ppm1      1.937 ppm2      2.308 CV     1
 ASSI {  597}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HG2 ))
      2.600     2.600     3.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.24656E-02 ppm1      1.973 ppm2      2.276 CV     1
 ASSI {  598}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.100     3.100     2.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.88702E-03 ppm1      1.853 ppm2      2.299 CV     1
 ASSI {  599}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HG2 ))
      2.100     0.500     0.500 peak   599 spectrum    1 weight  0.10000E+01 volume  0.77676E-02 ppm1      1.938 ppm2      2.219 CV     1
 OR {  599}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  599}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  599}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HG1 ))
 ASSI {  601}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HB1 ))
      2.500     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.30377E-02 ppm1      2.346 ppm2      2.003 CV     1
 OR {  601}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  602}
   (( segid "    " and resid 61   and name HG11))
   (( segid "    " and resid 61   and name HG12))
      1.800     0.400     0.400 peak   602 spectrum    1 weight  0.10000E+01 volume  0.86140E-02 ppm1      1.214 ppm2      1.475 CV     1
 ASSI {  603}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HB1 ))
      2.300     2.300     3.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.70664E-02 ppm1      1.071 ppm2      1.467 CV     1
 ASSI {  605}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 61   and name HB  ))
      3.400     1.500     1.500 peak   605 spectrum    1 weight  0.10000E+01 volume  0.17073E-02 ppm1      1.081 ppm2      1.754 CV     1
 ASSI {  606}
   (( segid "    " and resid 61   and name HG11))
   (( segid "    " and resid 44   and name HB  ))
      3.000     3.000     3.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.21540E-02 ppm1      1.202 ppm2      1.854 CV     1
 ASSI {  607}
   (( segid "    " and resid 50   and name HG11))
   (( segid "    " and resid 50   and name HB  ))
      2.100     0.600     0.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.66521E-02 ppm1      1.418 ppm2      1.845 CV     1
 ASSI {  608}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     2.600     3.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.68786E-02 ppm1      1.414 ppm2      1.895 CV     1
 ASSI {  609}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.200     0.600     0.600 peak   609 spectrum    1 weight  0.10000E+01 volume  0.64496E-02 ppm1      1.412 ppm2      1.953 CV     1
 ASSI {  612}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.300     2.300     3.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.52431E-02 ppm1      1.419 ppm2      2.147 CV     1
 ASSI {  613}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     2.400     3.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.43239E-02 ppm1      1.319 ppm2      1.659 CV     1
 ASSI {  614}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   614 spectrum    1 weight  0.10000E+01 volume  0.24112E-02 ppm1      1.075 ppm2      1.637 CV     1
 ASSI {  615}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 20   and name HG2 ))
      2.800     2.800     3.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.26950E-02 ppm1      0.665 ppm2      2.383 CV     1
 ASSI {  616}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 20   and name HG1 ))
      3.000     3.000     3.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.25423E-02 ppm1      0.635 ppm2      2.383 CV     1
 ASSI {  618}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 20   and name HB1 ))
      2.200     2.200     3.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.26820E-02 ppm1      0.671 ppm2      2.003 CV     1
 ASSI {  619}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 62   and name HB1 ))
      2.400     2.400     3.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.70025E-02 ppm1      0.846 ppm2      1.917 CV     1
 ASSI {  628}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.000     2.000     4.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.13136E-01 ppm1      0.877 ppm2      1.490 CV     1
 ASSI {  629}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     2.400     3.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.11555E-01 ppm1      0.778 ppm2      1.499 CV     1
 ASSI {  630}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
      2.100     2.100     3.900 peak   630 spectrum    1 weight  0.10000E+01 volume  0.15308E-01 ppm1      0.726 ppm2      1.486 CV     1
 ASSI {  631}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 61   and name HG11))
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.23614E-02 ppm1      1.076 ppm2      1.218 CV     1
 ASSI {  632}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 6    and name HG12))
      2.000     0.500     0.500 peak   632 spectrum    1 weight  0.10000E+01 volume  0.11946E-01 ppm1      0.854 ppm2      1.394 CV     1
 ASSI {  633}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      2.100     2.100     3.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.67694E-02 ppm1      0.771 ppm2      1.180 CV     1
 ASSI {  635}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG12))
      2.000     0.500     0.500 peak   635 spectrum    1 weight  0.10000E+01 volume  0.10666E-01 ppm1      0.731 ppm2      1.396 CV     1
 OR {  635}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG11))
 ASSI {  636}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.100     0.600     0.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.73959E-02 ppm1      0.635 ppm2      1.501 CV     1
 ASSI {  641}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 49   and name HD2 ))
      3.500     3.500     2.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.50748E-03 ppm1      4.851 ppm2      7.109 CV     1
 ASSI {  643}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HD2 ))
      3.600     1.600     1.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.10864E-02 ppm1      4.467 ppm2      7.095 CV     1
 ASSI {  644}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 5    and name HD2 ))
      3.500     1.600     1.600 peak   644 spectrum    1 weight  0.10000E+01 volume  0.51112E-03 ppm1      4.286 ppm2      7.095 CV     1
 ASSI {  646}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HD2 ))
      2.900     1.000     1.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.11578E-02 ppm1      3.386 ppm2      7.093 CV     1
 ASSI {  648}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HE1 ))
      3.600     1.700     1.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.58390E-03 ppm1      3.398 ppm2      8.162 CV     1
 ASSI {    1}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.29657E-02 ppm1      6.834 ppm2      4.160 CV     1
 ASSI {    1}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 25   and name HA2 ))
      3.100     1.200     1.200 peak     1 spectrum    1 weight  0.10000E+01 volume  0.85994E-03 ppm1      6.833 ppm2      3.989 CV     1
 OR {    1}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 25   and name HA1 ))
 ASSI {    5}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 24   and name HB  ))
      2.900     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.10424E-02 ppm1      6.833 ppm2      1.514 CV     1
 ASSI {    7}
   (  segid "    " and resid 58   and name HD% )
   (  segid "    " and resid 59   and name HD1%)
      2.900     1.000     1.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.29893E-02 ppm1      6.837 ppm2      0.839 CV     1
 OR {    7}
   (  segid "    " and resid 58   and name HD% )
   (  segid "    " and resid 59   and name HD2%)
 ASSI {    8}
   (  segid "    " and resid 58   and name HD% )
   (  segid "    " and resid 24   and name HG2%)
      3.700     1.800     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.59794E-03 ppm1      6.833 ppm2      0.652 CV     1
 ASSI {   10}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.12591E-02 ppm1      6.681 ppm2      4.158 CV     1
 ASSI {   11}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 58   and name HB2 ))
      3.400     1.500     1.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.11420E-02 ppm1      6.676 ppm2      3.124 CV     1
 ASSI {   12}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 58   and name HB1 ))
      3.400     1.500     1.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.12612E-02 ppm1      6.681 ppm2      2.816 CV     1
 ASSI {   14}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 28   and name HG12))
      3.200     1.200     1.200 peak    14 spectrum    1 weight  0.10000E+01 volume  0.99462E-03 ppm1      6.678 ppm2      1.387 CV     1
 OR {   14}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 28   and name HG11))
 ASSI {   16}
   (  segid "    " and resid 58   and name HE% )
   (  segid "    " and resid 59   and name HD1%)
      2.500     0.800     0.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.26918E-02 ppm1      6.681 ppm2      0.837 CV     1
 ASSI {   17}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 24   and name HB  ))
      3.700     1.700     1.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.48354E-03 ppm1      6.678 ppm2      1.538 CV     1
 ASSI {   20}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.400     1.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.51685E-03 ppm1      5.692 ppm2      1.665 CV     1
 OR {   20}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   21}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      2.600     0.800     0.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.24379E-02 ppm1      5.687 ppm2      1.276 CV     1
 ASSI {   25}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.400     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.24947E-02 ppm1      5.487 ppm2      3.668 CV     1
 ASSI {   26}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 42   and name HG  ))
      3.900     1.900     1.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.57338E-03 ppm1      5.489 ppm2      1.545 CV     1
 ASSI {   27}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.200     1.300     1.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.82925E-03 ppm1      5.486 ppm2      1.409 CV     1
 ASSI {   31}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.000     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.17951E-02 ppm1      5.456 ppm2      2.306 CV     1
 ASSI {   35}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 41   and name HE1 ))
      3.200     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.78027E-03 ppm1      5.490 ppm2      2.752 CV     1
 OR {   35}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 41   and name HE2 ))
 ASSI {   36}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.600     1.600     1.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.70571E-03 ppm1      5.454 ppm2      2.406 CV     1
 ASSI {   39}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.800     1.800     1.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.14839E-02 ppm1      5.317 ppm2      2.304 CV     1
 ASSI {   48}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      3.100     3.100     2.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.11478E-02 ppm1      5.157 ppm2      1.524 CV     1
 ASSI {   50}
   (( segid "    " and resid 43   and name HA2 ))
   (  segid "    " and resid 13   and name HG2%)
      3.200     3.200     2.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.14587E-02 ppm1      5.146 ppm2      0.828 CV     1
 ASSI {   51}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      2.900     2.900     3.100 peak    51 spectrum    1 weight  0.10000E+01 volume  0.39224E-02 ppm1      5.145 ppm2      0.701 CV     1
 ASSI {   53}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.600     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.65376E-03 ppm1      5.142 ppm2      3.976 CV     1
 ASSI {   54}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.500     1.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.78089E-03 ppm1      4.850 ppm2      4.307 CV     1
 ASSI {   59}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      2.600     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.18743E-02 ppm1      5.061 ppm2      1.871 CV     1
 ASSI {   61}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG  ))
      3.500     1.500     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.72756E-03 ppm1      5.144 ppm2      1.561 CV     1
 ASSI {   65}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.25906E-02 ppm1      4.854 ppm2      2.725 CV     1
 ASSI {   71}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.12914E-02 ppm1      4.817 ppm2      1.989 CV     1
 ASSI {   72}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.300     1.400     1.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.78853E-03 ppm1      4.816 ppm2      1.935 CV     1
 ASSI {   73}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.000     2.000     2.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.84506E-03 ppm1      4.805 ppm2      1.577 CV     1
 ASSI {   74}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 61   and name HG12))
      3.100     3.100     2.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.26505E-02 ppm1      4.824 ppm2      1.479 CV     1
 ASSI {   75}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      4.000     2.000     2.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.72352E-03 ppm1      4.815 ppm2      1.355 CV     1
 ASSI {   78}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
      2.500     0.800     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.38061E-02 ppm1      4.823 ppm2      0.862 CV     1
 OR {   78}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HG1%)
 ASSI {   83}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HD1%)
      2.700     2.700     3.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.63666E-02 ppm1      4.975 ppm2      0.758 CV     1
 ASSI {   84}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
      2.200     2.200     3.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.90523E-02 ppm1      4.976 ppm2      0.710 CV     1
 ASSI {   87}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     3.500     2.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.72876E-03 ppm1      4.589 ppm2      4.046 CV     1
 ASSI {   88}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.300     3.300     2.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.86633E-03 ppm1      4.608 ppm2      3.194 CV     1
 OR {   88}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {   89}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.42221E-02 ppm1      4.632 ppm2      2.809 CV     1
 OR {   89}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI {   90}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.400     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.60602E-02 ppm1      4.595 ppm2      2.794 CV     1
 ASSI {   92}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.600     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.37200E-02 ppm1      4.526 ppm2      2.637 CV     1
 ASSI {  103}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.400     2.400     3.600 peak   103 spectrum    1 weight  0.10000E+01 volume  0.35215E-02 ppm1      4.605 ppm2      1.941 CV     1
 ASSI {  105}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.14614E-02 ppm1      4.629 ppm2      1.505 CV     1
 ASSI {  106}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.500     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.37456E-02 ppm1      4.629 ppm2      1.385 CV     1
 ASSI {  108}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      3.100     1.200     1.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.37456E-02 ppm1      4.593 ppm2      1.397 CV     1
 ASSI {  109}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      2.900     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.26420E-02 ppm1      4.629 ppm2      0.829 CV     1
 ASSI {  110}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 44   and name HG12))
      3.300     3.300     2.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.14647E-02 ppm1      4.616 ppm2      0.769 CV     1
 ASSI {  112}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 50   and name HG2%)
      2.600     2.600     3.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.33659E-02 ppm1      4.491 ppm2      0.889 CV     1
 ASSI {  117}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      2.800     1.000     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.16094E-02 ppm1      4.410 ppm2      0.686 CV     1
 ASSI {  121}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      3.500     1.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.18607E-02 ppm1      4.349 ppm2      2.084 CV     1
 ASSI {  123}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
      3.100     3.100     2.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.23957E-02 ppm1      4.329 ppm2      0.611 CV     1
 ASSI {  128}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.200     1.300     1.300 peak   128 spectrum    1 weight  0.10000E+01 volume  0.11665E-02 ppm1      4.355 ppm2      1.506 CV     1
 OR {  128}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  130}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HD2 ))
      2.700     0.900     0.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.53239E-02 ppm1      4.349 ppm2      1.670 CV     1
 OR {  130}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HD1 ))
 ASSI {  135}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 82   and name HG1 ))
      2.800     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.35763E-02 ppm1      4.294 ppm2      2.345 CV     1
 ASSI {  136}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      2.700     0.900     0.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.26968E-02 ppm1      4.294 ppm2      2.408 CV     1
 OR {  136}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG1 ))
 ASSI {  137}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG  ))
      2.800     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.25523E-02 ppm1      4.210 ppm2      1.591 CV     1
 ASSI {  138}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HD2 ))
      2.600     2.600     3.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.45139E-02 ppm1      4.212 ppm2      1.674 CV     1
 ASSI {  139}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.400     0.700     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.45646E-02 ppm1      4.209 ppm2      1.814 CV     1
 OR {  139}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  140}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.300     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.56854E-02 ppm1      4.209 ppm2      1.865 CV     1
 ASSI {  141}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.400     2.400     3.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.47728E-02 ppm1      4.205 ppm2      2.028 CV     1
 ASSI {  142}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.000     3.000     3.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.24663E-02 ppm1      4.153 ppm2      2.280 CV     1
 ASSI {  148}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      1.700     1.700     4.300 peak   148 spectrum    1 weight  0.10000E+01 volume  0.10774E-01 ppm1      4.154 ppm2      2.029 CV     1
 ASSI {  152}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HB  ))
      2.500     2.500     3.500 peak   152 spectrum    1 weight  0.10000E+01 volume  0.45708E-02 ppm1      4.120 ppm2      1.764 CV     1
 ASSI {  154}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      3.000     1.100     1.100 peak   154 spectrum    1 weight  0.10000E+01 volume  0.24822E-02 ppm1      4.143 ppm2      1.524 CV     1
 ASSI {  155}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      2.500     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.41979E-02 ppm1      4.109 ppm2      1.506 CV     1
 ASSI {  156}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      2.600     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.21037E-02 ppm1      4.154 ppm2      1.473 CV     1
 ASSI {  159}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
      2.900     2.900     3.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.16268E-02 ppm1      4.145 ppm2      1.160 CV     1
 ASSI {  168}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.27837E-02 ppm1      3.924 ppm2      1.056 CV     1
 ASSI {  170}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB  ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.33431E-02 ppm1      3.922 ppm2      1.756 CV     1
 ASSI {  171}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.500     0.800     0.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.34406E-02 ppm1      3.922 ppm2      2.012 CV     1
 OR {  171}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {  172}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.500     1.500     1.500 peak   172 spectrum    1 weight  0.10000E+01 volume  0.50792E-03 ppm1      3.973 ppm2      1.655 CV     1
 ASSI {  176}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      2.700     0.900     0.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.26038E-02 ppm1      4.032 ppm2      2.084 CV     1
 ASSI {  178}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 75   and name HB  ))
      2.800     2.800     3.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.64190E-03 ppm1      3.853 ppm2      2.085 CV     1
 ASSI {  181}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.38310E-02 ppm1      4.160 ppm2      2.797 CV     1
 ASSI {  182}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.900     1.100     1.100 peak   182 spectrum    1 weight  0.10000E+01 volume  0.31098E-02 ppm1      4.087 ppm2      2.790 CV     1
 ASSI {  186}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 58   and name HB2 ))
      3.300     3.300     2.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.75309E-03 ppm1      3.995 ppm2      3.131 CV     1
 ASSI {  187}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 48   and name HE1 ))
      3.300     1.300     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.89688E-03 ppm1      4.011 ppm2      2.898 CV     1
 ASSI {  198}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 63   and name HG1 ))
      4.000     2.000     2.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.54594E-03 ppm1      2.589 ppm2      2.254 CV     1
 ASSI {  199}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      3.600     3.600     2.400 peak   199 spectrum    1 weight  0.10000E+01 volume  0.17545E-02 ppm1      2.754 ppm2      1.918 CV     1
 ASSI {  200}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.600     1.600     1.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.14944E-02 ppm1      3.398 ppm2      2.384 CV     1
 ASSI {  201}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 57   and name HB  ))
      4.300     2.300     1.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.56308E-03 ppm1      3.372 ppm2      2.105 CV     1
 ASSI {  203}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.800     3.800     2.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.66321E-03 ppm1      3.198 ppm2      1.984 CV     1
 ASSI {  205}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.200     3.200     2.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.22059E-02 ppm1      3.394 ppm2      1.668 CV     1
 ASSI {  213}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 33   and name HB  ))
      3.800     1.800     1.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.75625E-03 ppm1      3.256 ppm2      1.525 CV     1
 ASSI {  214}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 48   and name HB1 ))
      3.100     3.100     2.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.30342E-02 ppm1      3.159 ppm2      1.484 CV     1
 ASSI {  215}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     2.400     3.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.33540E-02 ppm1      3.158 ppm2      1.535 CV     1
 ASSI {  216}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HG1 ))
      2.500     0.800     0.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.31024E-02 ppm1      3.178 ppm2      1.588 CV     1
 OR {  216}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG1 ))
 OR {  216}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HG2 ))
 OR {  216}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  218}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.25335E-02 ppm1      3.192 ppm2      1.807 CV     1
 OR {  218}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  219}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HB1 ))
      2.700     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.26023E-02 ppm1      3.188 ppm2      1.866 CV     1
 OR {  219}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  219}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HB1 ))
 OR {  219}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  221}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 18   and name HG12))
      2.600     2.600     3.400 peak   221 spectrum    1 weight  0.10000E+01 volume  0.17543E-02 ppm1      2.943 ppm2      1.366 CV     1
 OR {  221}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 18   and name HG11))
 OR {  221}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 18   and name HG12))
 OR {  221}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  222}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 33   and name HG12))
      3.600     1.600     1.600 peak   222 spectrum    1 weight  0.10000E+01 volume  0.53404E-03 ppm1      3.021 ppm2      1.351 CV     1
 ASSI {  223}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HD2 ))
      2.400     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.39595E-02 ppm1      2.906 ppm2      1.046 CV     1
 OR {  223}
   (( segid "    " and resid 48   and name HE1 ))
   (( segid "    " and resid 48   and name HD1 ))
 OR {  223}
   (( segid "    " and resid 48   and name HE1 ))
   (( segid "    " and resid 48   and name HD2 ))
 OR {  223}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  229}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 17   and name HD2 ))
      2.200     0.600     0.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.61566E-02 ppm1      2.944 ppm2      1.638 CV     1
 OR {  229}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 17   and name HD1 ))
 OR {  229}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  229}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  230}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 41   and name HB1 ))
      2.800     1.000     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.29722E-02 ppm1      2.940 ppm2      1.436 CV     1
 ASSI {  231}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 62   and name HG1 ))
      2.700     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.25067E-02 ppm1      2.577 ppm2      2.184 CV     1
 OR {  231}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  233}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
      2.900     1.100     1.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.13111E-02 ppm1      2.578 ppm2      2.028 CV     1
 ASSI {  234}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
      3.100     1.200     1.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.13507E-02 ppm1      2.544 ppm2      1.992 CV     1
 OR {  234}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
 OR {  234}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  235}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.600     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.26042E-02 ppm1      2.366 ppm2      2.057 CV     1
 OR {  235}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  235}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  235}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  235}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  240}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
      2.000     0.500     0.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.92672E-02 ppm1      2.249 ppm2      2.002 CV     1
 ASSI {  241}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.600     0.800     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.63044E-02 ppm1      2.234 ppm2      1.926 CV     1
 ASSI {  243}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 24   and name HB  ))
      3.800     1.800     1.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.11970E-02 ppm1      2.153 ppm2      1.525 CV     1
 ASSI {  244}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.400     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.93729E-03 ppm1      2.116 ppm2      1.566 CV     1
 OR {  244}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  245}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 59   and name HG  ))
      2.700     0.900     0.900 peak   245 spectrum    1 weight  0.10000E+01 volume  0.26743E-02 ppm1      2.143 ppm2      1.462 CV     1
 ASSI {  246}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 24   and name HG12))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.25389E-02 ppm1      2.133 ppm2      1.299 CV     1
 ASSI {  248}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
      2.000     2.000     4.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.40626E-02 ppm1      2.019 ppm2      0.901 CV     1
 ASSI {  249}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      3.100     3.100     2.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.29678E-02 ppm1      1.980 ppm2      1.429 CV     1
 ASSI {  253}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500     2.500     3.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.80398E-02 ppm1      1.674 ppm2      1.516 CV     1
 ASSI {  254}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 61   and name HG2%)
      2.700     2.700     3.300 peak   254 spectrum    1 weight  0.10000E+01 volume  0.70873E-02 ppm1      1.886 ppm2      0.884 CV     1
 OR {  254}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI {  255}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      2.000     0.500     0.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.10427E-01 ppm1      1.886 ppm2      0.820 CV     1
 OR {  255}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 59   and name HD2%)
 OR {  255}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 59   and name HD1%)
 OR {  255}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  260}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 44   and name HG11))
      3.000     1.100     1.100 peak   260 spectrum    1 weight  0.10000E+01 volume  0.32293E-02 ppm1      1.762 ppm2      0.739 CV     1
 ASSI {  267}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 44   and name HD1%)
      2.200     2.200     3.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.13036E-01 ppm1      1.510 ppm2      0.762 CV     1
 ASSI {  275}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HG1 ))
      2.100     0.500     0.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.42547E-02 ppm1      1.350 ppm2      1.160 CV     1
 ASSI {  282}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     3.500     2.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10804E-02 ppm1      5.059 ppm2      5.122 CV     1
 ASSI {  283}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.800     0.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.40221E-02 ppm1      4.245 ppm2      3.249 CV     1
 ASSI {  285}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.000     3.000     3.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.25763E-02 ppm1      4.236 ppm2      2.791 CV     1
 OR {  285}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {  286}
   (  segid "    " and resid 58   and name HD% )
   (  segid "    " and resid 58   and name HE% )
      1.700     0.300     0.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.20137E-01 ppm1      6.834 ppm2      6.683 CV     1
 ASSI {  288}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      3.300     3.300     2.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.18889E-02 ppm1      4.959 ppm2      1.278 CV     1
 ASSI {  289}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name HG11))
      2.400     0.700     0.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.34527E-02 ppm1      4.160 ppm2      1.221 CV     1
 ASSI {  291}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.18247E-02 ppm1      1.904 ppm2      1.275 CV     1
 OR {  291}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  292}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 41   and name HG2 ))
      3.300     3.300     2.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.11665E-02 ppm1      2.196 ppm2      1.339 CV     1
 OR {  292}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  294}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
      3.400     1.400     1.400 peak   294 spectrum    1 weight  0.10000E+01 volume  0.14434E-02 ppm1      2.052 ppm2      1.332 CV     1
 ASSI {  296}
   (( segid "    " and resid 6    and name HG11))
   (  segid "    " and resid 6    and name HG2%)
      2.200     2.200     3.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.94697E-02 ppm1      1.397 ppm2      1.105 CV     1
 OR {  296}
   (( segid "    " and resid 6    and name HG12))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  302}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 25   and name HA1 ))
      3.300     3.300     2.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.42257E-03 ppm1      6.685 ppm2      3.980 CV     1
 ASSI {  304}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 52   and name HB  ))
      3.500     1.500     1.500 peak   304 spectrum    1 weight  0.10000E+01 volume  0.56943E-03 ppm1      6.676 ppm2      1.485 CV     1
 ASSI {  305}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     2.800     3.200 peak   305 spectrum    1 weight  0.10000E+01 volume  0.64940E-03 ppm1      5.311 ppm2      4.969 CV     1
 ASSI {  307}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      3.400     1.400     1.400 peak   307 spectrum    1 weight  0.10000E+01 volume  0.76704E-03 ppm1      4.485 ppm2      1.545 CV     1
 ASSI {  308}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 57   and name HB  ))
      4.300     2.300     1.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.54825E-03 ppm1      5.157 ppm2      2.115 CV     1
 ASSI {  310}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HG1 ))
      2.800     1.000     1.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.13792E-02 ppm1      4.960 ppm2      1.546 CV     1
 ASSI {  311}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 48   and name HD2 ))
      4.100     2.100     1.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.90301E-03 ppm1      4.962 ppm2      1.050 CV     1
 ASSI {  313}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      2.700     2.700     3.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.79368E-03 ppm1      4.408 ppm2      1.876 CV     1
 ASSI {  315}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      3.200     3.200     2.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.13751E-02 ppm1      5.144 ppm2      0.647 CV     1
 ASSI {  316}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      3.300     3.300     2.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.66117E-03 ppm1      5.059 ppm2      0.901 CV     1
 ASSI {  318}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG11))
      3.200     1.200     1.200 peak   318 spectrum    1 weight  0.10000E+01 volume  0.13201E-02 ppm1      3.924 ppm2      1.219 CV     1
 ASSI {  320}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HG11))
      3.500     3.500     2.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.11165E-02 ppm1      4.121 ppm2      1.198 CV     1
 ASSI {  322}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HD1 ))
      3.300     1.400     1.400 peak   322 spectrum    1 weight  0.10000E+01 volume  0.24159E-02 ppm1      4.298 ppm2      1.670 CV     1
 OR {  322}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI {  323}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 46   and name HB% )
      3.600     3.600     2.400 peak   323 spectrum    1 weight  0.10000E+01 volume  0.69550E-03 ppm1      4.349 ppm2      1.219 CV     1
 ASSI {  324}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.700     3.700     2.300 peak   324 spectrum    1 weight  0.10000E+01 volume  0.58874E-03 ppm1      4.357 ppm2      2.639 CV     1
 ASSI {  325}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HG1 ))
      4.000     2.000     2.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.49904E-03 ppm1      3.919 ppm2      2.259 CV     1
 OR {  325}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI {  326}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 41   and name HE1 ))
      4.000     2.000     2.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.46196E-03 ppm1      3.708 ppm2      2.754 CV     1
 OR {  326}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 41   and name HE2 ))
 ASSI {  327}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 41   and name HE1 ))
      3.000     1.100     1.100 peak   327 spectrum    1 weight  0.10000E+01 volume  0.91016E-03 ppm1      3.670 ppm2      2.758 CV     1
 OR {  327}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 41   and name HE2 ))
 ASSI {  328}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.800     3.800     2.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.65580E-03 ppm1      3.682 ppm2      1.988 CV     1
 ASSI {  329}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 18   and name HB  ))
      3.100     1.200     1.200 peak   329 spectrum    1 weight  0.10000E+01 volume  0.16916E-02 ppm1      1.979 ppm2      1.627 CV     1
 ASSI {  330}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HG11))
      2.700     0.900     0.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.23511E-02 ppm1      1.884 ppm2      1.190 CV     1
 OR {  330}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HG11))
 ASSI {  335}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 48   and name HD1 ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10443E-02 ppm1      1.638 ppm2      1.055 CV     1
 OR {  335}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 48   and name HD2 ))
 OR {  335}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 48   and name HD1 ))
 OR {  335}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 48   and name HD2 ))
 ASSI {  337}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     3.100     2.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.15879E-02 ppm1      1.699 ppm2      1.272 CV     1
 OR {  337}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  338}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG2 ))
      2.300     0.600     0.600 peak   338 spectrum    1 weight  0.10000E+01 volume  0.60096E-02 ppm1      1.664 ppm2      1.444 CV     1
 OR {  338}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HG2 ))
 OR {  338}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG1 ))
 OR {  338}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HG1 ))
 ASSI {  340}
   (  segid "    " and resid 34   and name HB% )
   (  segid "    " and resid 32   and name HG1%)
      2.600     2.600     3.400 peak   340 spectrum    1 weight  0.10000E+01 volume  0.30059E-02 ppm1      1.362 ppm2      0.630 CV     1
 ASSI {  341}
   (( segid "    " and resid 12   and name HG  ))
   (  segid "    " and resid 12   and name HD1%)
      2.000     0.500     0.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.95839E-02 ppm1      1.398 ppm2      0.834 CV     1
 ASSI {  343}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 42   and name HD2%)
      3.500     3.500     2.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.10951E-02 ppm1      1.086 ppm2      0.577 CV     1
 ASSI {  344}
   (  segid "    " and resid 46   and name HB% )
   (  segid "    " and resid 28   and name HD1%)
      2.300     2.300     3.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.46632E-02 ppm1      1.208 ppm2      0.690 CV     1
 ASSI {  345}
   (( segid "    " and resid 61   and name HG11))
   (  segid "    " and resid 59   and name HD2%)
      2.100     2.100     3.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.52946E-02 ppm1      1.201 ppm2      0.824 CV     1
 ASSI {  346}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HD2 ))
      3.600     1.600     1.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.81353E-03 ppm1      8.593 ppm2      7.298 CV     1
 ASSI {  348}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HB1 ))
      4.000     2.000     2.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.60868E-03 ppm1      8.595 ppm2      3.158 CV     1
 OR {  348}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  350}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 48   and name HD2 ))
      3.600     1.700     1.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.41000E-03 ppm1      8.592 ppm2      1.040 CV     1
 OR {  350}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  354}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.28090E-02 ppm1      7.299 ppm2      3.165 CV     1
 OR {  354}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  357}
   (( segid "    " and resid 10   and name HD2 ))
   (  segid "    " and resid 46   and name HB% )
      3.200     1.300     1.300 peak   357 spectrum    1 weight  0.10000E+01 volume  0.10323E-02 ppm1      7.298 ppm2      1.209 CV     1
 ASSI {  358}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 48   and name HD2 ))
      3.500     1.500     1.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10821E-02 ppm1      7.298 ppm2      1.050 CV     1
 OR {  358}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  362}
   (( segid "    " and resid 53   and name HE1 ))
   (( segid "    " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak   362 spectrum    1 weight  0.10000E+01 volume  0.89426E-03 ppm1      8.384 ppm2      2.585 CV     1
 ASSI {  365}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   365 spectrum    1 weight  0.10000E+01 volume  0.11329E-02 ppm1      7.186 ppm2      5.150 CV     1
 ASSI {  366}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.600     1.600     1.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.61002E-03 ppm1      7.184 ppm2      4.154 CV     1
 ASSI {  370}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 57   and name HB  ))
      3.600     1.600     1.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.45361E-03 ppm1      7.191 ppm2      2.116 CV     1
 ASSI {  372}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 57   and name HG2%)
      3.900     1.900     1.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.60868E-03 ppm1      7.188 ppm2      0.847 CV     1
 ASSI {  373}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 49   and name HD2 ))
      3.600     1.600     1.600 peak   373 spectrum    1 weight  0.10000E+01 volume  0.80625E-03 ppm1      8.167 ppm2      7.097 CV     1
 ASSI {  375}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.900     2.900     3.100 peak   375 spectrum    1 weight  0.10000E+01 volume  0.43639E-03 ppm1      8.172 ppm2      1.967 CV     1
 OR {  375}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  376}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 50   and name HG11))
      4.000     2.000     2.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.61024E-03 ppm1      8.172 ppm2      1.422 CV     1
 ASSI {  377}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 48   and name HD2 ))
      3.900     3.900     2.100 peak   377 spectrum    1 weight  0.10000E+01 volume  0.47182E-03 ppm1      8.177 ppm2      1.033 CV     1
 OR {  377}
   (( segid "    " and resid 49   and name HE1 ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  384}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 52   and name HG12))
      2.800     2.800     3.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.21525E-02 ppm1      7.094 ppm2      0.716 CV     1
 ASSI {  385}
   (( segid "    " and resid 49   and name HD2 ))
   (  segid "    " and resid 50   and name HD1%)
      3.500     1.500     1.500 peak   385 spectrum    1 weight  0.10000E+01 volume  0.76637E-03 ppm1      7.096 ppm2      0.664 CV     1
 ASSI {  389}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12558E-02 ppm1      4.907 ppm2      5.489 CV     1
 ASSI {  392}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD2 ))
      3.400     1.400     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.10020E-02 ppm1      4.955 ppm2      7.302 CV     1
 ASSI {  397}
   (( segid "    " and resid 25   and name HA1 ))
   (  segid "    " and resid 58   and name HD% )
      3.100     3.100     2.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.73897E-03 ppm1      3.990 ppm2      6.833 CV     1
 ASSI {  405}
   (( segid "    " and resid 57   and name HB  ))
   (  segid "    " and resid 58   and name HD% )
      3.600     1.600     1.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.93152E-03 ppm1      2.126 ppm2      6.833 CV     1
 ASSI {  407}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HD% )
      2.700     0.900     0.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10481E-02 ppm1      1.474 ppm2      6.835 CV     1
 ASSI {  409}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 58   and name HE% )
      3.400     1.400     1.400 peak   409 spectrum    1 weight  0.10000E+01 volume  0.95199E-03 ppm1      1.356 ppm2      6.684 CV     1
 ASSI {  411}
   (( segid "    " and resid 57   and name HG12))
   (  segid "    " and resid 58   and name HD% )
      3.400     3.400     2.600 peak   411 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      1.434 ppm2      6.837 CV     1
 ASSI {  415}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 58   and name HD% )
      2.900     2.900     3.100 peak   415 spectrum    1 weight  0.10000E+01 volume  0.25531E-02 ppm1      0.854 ppm2      6.838 CV     1
 ASSI {  421}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.100     2.100     1.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.61663E-03 ppm1      3.383 ppm2      5.057 CV     1
 ASSI {  426}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   426 spectrum    1 weight  0.10000E+01 volume  0.13202E-02 ppm1      2.828 ppm2      5.150 CV     1
 ASSI {  431}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.900     1.900     1.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.50810E-03 ppm1      1.665 ppm2      5.692 CV     1
 ASSI {  432}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak   432 spectrum    1 weight  0.10000E+01 volume  0.80749E-03 ppm1      1.423 ppm2      5.678 CV     1
 ASSI {  434}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   434 spectrum    1 weight  0.10000E+01 volume  0.73498E-03 ppm1      0.722 ppm2      5.680 CV     1
 ASSI {  435}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      3.600     3.600     2.400 peak   435 spectrum    1 weight  0.10000E+01 volume  0.78516E-03 ppm1      0.737 ppm2      5.487 CV     1
 ASSI {  445}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   445 spectrum    1 weight  0.10000E+01 volume  0.74896E-03 ppm1      1.980 ppm2      4.891 CV     1
 ASSI {  446}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     3.200     2.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      1.920 ppm2      4.957 CV     1
 ASSI {  448}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.10599E-02 ppm1      1.537 ppm2      4.958 CV     1
 ASSI {  449}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.000     1.100     1.100 peak   449 spectrum    1 weight  0.10000E+01 volume  0.96691E-03 ppm1      1.446 ppm2      4.892 CV     1
 ASSI {  450}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.64536E-03 ppm1      1.622 ppm2      4.896 CV     1
 OR {  450}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  456}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.900     1.900     1.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.67987E-03 ppm1      1.066 ppm2      4.960 CV     1
 ASSI {  459}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 31   and name HA  ))
      3.400     3.400     2.600 peak   459 spectrum    1 weight  0.10000E+01 volume  0.10501E-02 ppm1      1.355 ppm2      4.957 CV     1
 ASSI {  461}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     2.600     3.400 peak   461 spectrum    1 weight  0.10000E+01 volume  0.88427E-03 ppm1      1.509 ppm2      4.951 CV     1
 ASSI {  469}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.100     2.100     3.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.31026E-02 ppm1      3.920 ppm2      4.403 CV     1
 OR {  469}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  471}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
      2.200     0.600     0.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.88405E-02 ppm1      3.870 ppm2      4.442 CV     1
 OR {  471}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  472}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      1.800     0.400     0.400 peak   472 spectrum    1 weight  0.10000E+01 volume  0.92766E-02 ppm1      3.710 ppm2      3.679 CV     1
 ASSI {  481}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 17   and name HE1 ))
      2.700     0.900     0.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.17132E-02 ppm1      2.219 ppm2      2.932 CV     1
 OR {  481}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 17   and name HE1 ))
 OR {  481}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 17   and name HE2 ))
 OR {  481}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 17   and name HE2 ))
 ASSI {  484}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      3.400     3.400     2.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.20889E-02 ppm1      3.109 ppm2      3.346 CV     1
 ASSI {  491}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.600     0.800     0.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.26689E-02 ppm1      2.062 ppm2      2.378 CV     1
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  491}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  493}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 7    and name HG1 ))
      2.300     2.300     3.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.17025E-02 ppm1      1.883 ppm2      2.376 CV     1
 OR {  493}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
 OR {  493}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 7    and name HG1 ))
 OR {  493}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  495}
   (( segid "    " and resid 83   and name HD2 ))
   (( segid "    " and resid 82   and name HG2 ))
      2.500     2.500     3.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.12226E-02 ppm1      1.690 ppm2      2.369 CV     1
 OR {  495}
   (( segid "    " and resid 83   and name HD2 ))
   (( segid "    " and resid 82   and name HG1 ))
 OR {  495}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR {  495}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 82   and name HG1 ))
 ASSI {  500}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.800     0.400     0.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.11252E-01 ppm1      1.294 ppm2      1.492 CV     1
 ASSI {  501}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      1.800     0.400     0.400 peak   501 spectrum    1 weight  0.10000E+01 volume  0.12864E-01 ppm1      1.711 ppm2      1.800 CV     1
 ASSI {  503}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
      2.200     0.600     0.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.63328E-02 ppm1      0.560 ppm2      1.499 CV     1
 ASSI {  506}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HB  ))
      2.300     0.700     0.700 peak   506 spectrum    1 weight  0.10000E+01 volume  0.37938E-02 ppm1      0.726 ppm2      2.156 CV     1
 ASSI {  507}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 44   and name HB  ))
      1.900     1.900     4.100 peak   507 spectrum    1 weight  0.10000E+01 volume  0.15747E-01 ppm1      0.737 ppm2      1.866 CV     1
 ASSI {  508}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB2 ))
      2.300     2.300     3.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.12021E-01 ppm1      0.843 ppm2      1.872 CV     1
 ASSI {  512}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 20   and name HG1 ))
      2.500     0.800     0.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.30137E-02 ppm1      0.673 ppm2      2.385 CV     1
 OR {  512}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  513}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 28   and name HB  ))
      3.600     3.600     2.400 peak   513 spectrum    1 weight  0.10000E+01 volume  0.25389E-02 ppm1      0.678 ppm2      2.159 CV     1
 ASSI {  514}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 62   and name HG1 ))
      3.200     3.200     2.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.26712E-02 ppm1      0.788 ppm2      2.160 CV     1
 ASSI {  515}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 57   and name HB  ))
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.53745E-02 ppm1      0.865 ppm2      2.129 CV     1
 ASSI {  518}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 20   and name HG1 ))
      3.000     1.100     1.100 peak   518 spectrum    1 weight  0.10000E+01 volume  0.16045E-02 ppm1      0.724 ppm2      2.380 CV     1
 ASSI {  519}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 41   and name HE1 ))
      3.800     1.800     1.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.11802E-02 ppm1      1.884 ppm2      2.760 CV     1
 OR {  519}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 41   and name HE2 ))
 ASSI {  520}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 65   and name HB1 ))
      3.000     1.100     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.24824E-02 ppm1      1.932 ppm2      2.755 CV     1
 OR {  520}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  521}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 17   and name HE1 ))
      3.300     3.300     2.700 peak   521 spectrum    1 weight  0.10000E+01 volume  0.17808E-02 ppm1      1.984 ppm2      2.942 CV     1
 OR {  521}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 17   and name HE2 ))
 ASSI {  522}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE2 ))
      3.200     1.300     1.300 peak   522 spectrum    1 weight  0.10000E+01 volume  0.18306E-02 ppm1      1.951 ppm2      2.931 CV     1
 OR {  522}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HE2 ))
 OR {  522}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE1 ))
 OR {  522}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HE1 ))
 ASSI {  523}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HE2 ))
      2.600     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.25823E-02 ppm1      1.135 ppm2      2.767 CV     1
 OR {  523}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HE1 ))
 ASSI {  525}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 41   and name HE1 ))
      3.100     3.100     2.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.23490E-02 ppm1      0.852 ppm2      2.762 CV     1
 OR {  525}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 41   and name HE1 ))
 OR {  525}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 41   and name HE2 ))
 OR {  525}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 41   and name HE2 ))
 ASSI {  526}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 45   and name HB2 ))
      2.800     2.800     3.200 peak   526 spectrum    1 weight  0.10000E+01 volume  0.38678E-02 ppm1      0.737 ppm2      2.764 CV     1
 ASSI {  528}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HE1 ))
      2.900     1.000     1.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.40391E-02 ppm1      1.345 ppm2      2.759 CV     1
 OR {  528}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HE2 ))
 ASSI {  529}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HE1 ))
      2.400     0.700     0.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.40406E-02 ppm1      1.419 ppm2      2.758 CV     1
 OR {  529}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HE2 ))
 ASSI {  531}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 41   and name HE2 ))
      2.000     2.000     4.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.48772E-02 ppm1      1.550 ppm2      2.788 CV     1
 OR {  531}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 41   and name HE1 ))
 ASSI {  532}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HB1 ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.13921E-02 ppm1      1.652 ppm2      2.793 CV     1
 OR {  532}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  532}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI {  533}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 17   and name HE2 ))
      2.800     2.800     3.200 peak   533 spectrum    1 weight  0.10000E+01 volume  0.40967E-02 ppm1      1.687 ppm2      2.935 CV     1
 OR {  533}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HE2 ))
 OR {  533}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 17   and name HE1 ))
 OR {  533}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HE1 ))
 ASSI {  534}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HE2 ))
      2.600     0.900     0.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.28898E-02 ppm1      1.401 ppm2      2.943 CV     1
 OR {  534}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HE1 ))
 OR {  534}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HE2 ))
 OR {  534}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HE1 ))
 ASSI {  535}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 83   and name HE2 ))
      3.000     3.000     3.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      1.585 ppm2      3.014 CV     1
 OR {  535}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 83   and name HE1 ))
 OR {  535}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 83   and name HE2 ))
 OR {  535}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 83   and name HE1 ))
 ASSI {  537}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.700     0.900     0.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.24633E-02 ppm1      1.827 ppm2      3.180 CV     1
 OR {  537}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR {  537}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  537}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI {  539}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
      2.300     0.700     0.700 peak   539 spectrum    1 weight  0.10000E+01 volume  0.47178E-02 ppm1      1.622 ppm2      3.180 CV     1
 OR {  539}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR {  539}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  539}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  540}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.29086E-02 ppm1      0.910 ppm2      3.387 CV     1
 ASSI {  542}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
      2.700     0.900     0.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.26350E-02 ppm1      0.667 ppm2      3.387 CV     1
 ASSI {  545}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     3.300     2.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.17800E-02 ppm1      3.077 ppm2      4.590 CV     1
 ASSI {  546}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      2.900     1.100     1.100 peak   546 spectrum    1 weight  0.10000E+01 volume  0.13735E-02 ppm1      2.808 ppm2      4.629 CV     1
 OR {  546}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  546}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  546}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  546}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  546}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  546}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  546}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  546}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  546}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  548}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     3.200     2.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.19136E-02 ppm1      2.695 ppm2      4.576 CV     1
 ASSI {  550}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.100     3.100     2.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.12088E-02 ppm1      2.572 ppm2      4.570 CV     1
 ASSI {  554}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.600     1.600     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.18005E-02 ppm1      1.952 ppm2      4.594 CV     1
 OR {  554}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  555}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak   555 spectrum    1 weight  0.10000E+01 volume  0.16796E-02 ppm1      1.855 ppm2      4.598 CV     1
 ASSI {  563}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.400     1.400 peak   563 spectrum    1 weight  0.10000E+01 volume  0.20476E-02 ppm1      3.190 ppm2      4.199 CV     1
 OR {  563}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  564}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   564 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      3.136 ppm2      4.168 CV     1
 ASSI {  568}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.19179E-02 ppm1      2.774 ppm2      4.096 CV     1
 OR {  568}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  569}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.18492E-02 ppm1      2.825 ppm2      4.197 CV     1
 ASSI {  573}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.15690E-02 ppm1      2.403 ppm2      4.284 CV     1
 OR {  573}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  573}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  574}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.29838E-02 ppm1      2.357 ppm2      4.285 CV     1
 OR {  574}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  577}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 80   and name HA  ))
      2.600     2.600     3.400 peak   577 spectrum    1 weight  0.10000E+01 volume  0.51521E-02 ppm1      2.052 ppm2      4.285 CV     1
 ASSI {  578}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.50735E-02 ppm1      1.999 ppm2      4.285 CV     1
 OR {  578}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  582}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.18419E-02 ppm1      1.685 ppm2      4.291 CV     1
 ASSI {  584}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     3.100     2.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.13071E-02 ppm1      1.884 ppm2      4.315 CV     1
 ASSI {  585}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.000     0.500     0.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.15793E-01 ppm1      1.407 ppm2      4.302 CV     1
 OR {  585}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  587}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak   587 spectrum    1 weight  0.10000E+01 volume  0.26520E-02 ppm1      1.617 ppm2      4.203 CV     1
 OR {  587}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  588}
   (( segid "    " and resid 83   and name HD2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.37209E-02 ppm1      1.691 ppm2      4.204 CV     1
 OR {  588}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  593}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.29857E-02 ppm1      2.255 ppm2      4.141 CV     1
 OR {  593}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  595}
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.600     0.800     0.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.57240E-02 ppm1      2.161 ppm2      4.095 CV     1
 OR {  595}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  599}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.500     2.500     3.500 peak   599 spectrum    1 weight  0.10000E+01 volume  0.60291E-02 ppm1      1.993 ppm2      4.097 CV     1
 OR {  599}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  602}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     2.800     3.200 peak   602 spectrum    1 weight  0.10000E+01 volume  0.41186E-02 ppm1      1.876 ppm2      4.099 CV     1
 ASSI {  603}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     2.900     3.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.24130E-02 ppm1      1.651 ppm2      4.115 CV     1
 OR {  603}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI {  604}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak   604 spectrum    1 weight  0.10000E+01 volume  0.10204E-02 ppm1      1.658 ppm2      3.974 CV     1
 OR {  604}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  605}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HA2 ))
      2.900     1.100     1.100 peak   605 spectrum    1 weight  0.10000E+01 volume  0.21611E-02 ppm1      1.537 ppm2      4.002 CV     1
 OR {  605}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HA1 ))
 ASSI {  606}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 25   and name HA1 ))
      3.100     1.200     1.200 peak   606 spectrum    1 weight  0.10000E+01 volume  0.14476E-02 ppm1      1.366 ppm2      3.984 CV     1
 OR {  606}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 25   and name HA2 ))
 ASSI {  607}
   (( segid "    " and resid 50   and name HG11))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   607 spectrum    1 weight  0.10000E+01 volume  0.99125E-03 ppm1      1.426 ppm2      4.038 CV     1
 OR {  607}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  609}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.42087E-02 ppm1      1.522 ppm2      4.099 CV     1
 ASSI {  611}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 62   and name HA  ))
      2.600     0.900     0.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.32705E-02 ppm1      1.412 ppm2      4.107 CV     1
 ASSI {  612}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 33   and name HA  ))
      2.600     0.800     0.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.28269E-02 ppm1      1.345 ppm2      4.137 CV     1
 OR {  612}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 33   and name HA  ))
 ASSI {  613}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     2.900     3.100 peak   613 spectrum    1 weight  0.10000E+01 volume  0.21742E-02 ppm1      1.330 ppm2      4.141 CV     1
 ASSI {  617}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.500     1.500 peak   617 spectrum    1 weight  0.10000E+01 volume  0.91354E-03 ppm1      1.346 ppm2      4.614 CV     1
 ASSI {  621}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      3.100     3.100     2.900 peak   621 spectrum    1 weight  0.10000E+01 volume  0.27878E-02 ppm1      1.472 ppm2      3.915 CV     1
 ASSI {  625}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      2.700     2.700     3.300 peak   625 spectrum    1 weight  0.10000E+01 volume  0.35278E-02 ppm1      0.727 ppm2      3.962 CV     1
 OR {  625}
   (  segid "    " and resid 30   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  628}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      2.900     2.900     3.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.34945E-02 ppm1      0.920 ppm2      4.027 CV     1
 ASSI {  631}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.79008E-02 ppm1      0.726 ppm2      4.058 CV     1
 OR {  631}
   (( segid "    " and resid 52   and name HG11))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  632}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 62   and name HA  ))
      2.600     2.600     3.400 peak   632 spectrum    1 weight  0.10000E+01 volume  0.54305E-02 ppm1      0.806 ppm2      4.114 CV     1
 ASSI {  636}
   (( segid "    " and resid 57   and name HG11))
   (( segid "    " and resid 58   and name HA  ))
      2.200     2.200     3.800 peak   636 spectrum    1 weight  0.10000E+01 volume  0.95812E-02 ppm1      1.239 ppm2      4.200 CV     1
 ASSI {  637}
   (( segid "    " and resid 57   and name HG11))
   (( segid "    " and resid 57   and name HA  ))
      2.800     1.000     1.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.29239E-02 ppm1      1.240 ppm2      4.147 CV     1
 ASSI {  638}
   (( segid "    " and resid 57   and name HG11))
   (( segid "    " and resid 60   and name HB  ))
      2.000     2.000     4.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.11425E-01 ppm1      1.239 ppm2      4.272 CV     1
 ASSI {  643}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.000     1.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.17458E-02 ppm1      0.926 ppm2      4.305 CV     1
 ASSI {  645}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      2.500     2.500     3.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.24946E-02 ppm1      0.653 ppm2      4.406 CV     1
 ASSI {  648}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.11525E-02 ppm1      0.673 ppm2      4.488 CV     1
 ASSI {  651}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 34   and name HA  ))
      3.300     3.300     2.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.10913E-02 ppm1      0.638 ppm2      4.483 CV     1
 OR {  651}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  653}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 10   and name HE1 ))
      2.700     0.900     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.18982E-02 ppm1      4.581 ppm2      8.603 CV     1
 ASSI {  655}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 49   and name HE1 ))
      2.800     2.800     3.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.15981E-02 ppm1      0.723 ppm2      8.174 CV     1
 ASSI {  657}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 10   and name HD2 ))
      3.100     1.200     1.200 peak   657 spectrum    1 weight  0.10000E+01 volume  0.10654E-02 ppm1      1.506 ppm2      7.306 CV     1
 ASSI {  659}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.000     1.100     1.100 peak   659 spectrum    1 weight  0.10000E+01 volume  0.13795E-02 ppm1      3.366 ppm2      7.188 CV     1
 OR {  659}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI {  662}
   (( segid "    " and resid 52   and name HG11))
   (( segid "    " and resid 53   and name HD2 ))
      3.800     3.800     2.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.52471E-03 ppm1      0.713 ppm2      7.186 CV     1
 OR {  662}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI {  663}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      2.600     2.600     3.400 peak   663 spectrum    1 weight  0.10000E+01 volume  0.97726E-03 ppm1      0.551 ppm2      7.304 CV     1
 ASSI {  664}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.60602E-02 ppm1      4.591 ppm2      2.790 CV     1
 OR {  664}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {  666}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG11))
      3.500     1.500     1.500 peak   666 spectrum    1 weight  0.10000E+01 volume  0.22404E-02 ppm1      5.686 ppm2      1.270 CV     1
 ASSI {  667}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HE1 ))
      4.400     2.400     1.600 peak   667 spectrum    1 weight  0.10000E+01 volume  0.54096E-03 ppm1      4.907 ppm2      2.755 CV     1
 OR {  667}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HE2 ))
 ASSI {  669}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.700     3.700     2.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.59088E-03 ppm1      4.828 ppm2      1.901 CV     1
 OR {  669}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  670}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 61   and name HB  ))
      4.100     2.100     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.76233E-03 ppm1      4.983 ppm2      1.758 CV     1
 ASSI {  671}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      3.300     1.400     1.400 peak   671 spectrum    1 weight  0.10000E+01 volume  0.10996E-02 ppm1      4.824 ppm2      0.897 CV     1
 ASSI {  673}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      3.200     3.200     2.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.14862E-02 ppm1      4.969 ppm2      0.834 CV     1
 ASSI {  675}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
      3.100     1.200     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.13453E-02 ppm1      4.958 ppm2      1.333 CV     1
 OR {  675}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {  676}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG12))
      3.000     3.000     3.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.17546E-02 ppm1      4.854 ppm2      1.387 CV     1
 OR {  676}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  677}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HB  ))
      4.000     2.000     2.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      4.947 ppm2      1.614 CV     1
 ASSI {  678}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.77854E-03 ppm1      4.469 ppm2      3.077 CV     1
 ASSI {  680}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.500     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.36857E-02 ppm1      4.412 ppm2      3.907 CV     1
 ASSI {  682}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.700     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.24978E-02 ppm1      4.370 ppm2      3.879 CV     1
 OR {  682}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  685}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 10   and name HD2 ))
      3.400     1.400     1.400 peak   685 spectrum    1 weight  0.10000E+01 volume  0.70713E-03 ppm1      0.717 ppm2      7.306 CV     1
 ASSI {  686}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 10   and name HD2 ))
      3.400     1.400     1.400 peak   686 spectrum    1 weight  0.10000E+01 volume  0.67263E-03 ppm1      0.773 ppm2      7.305 CV     1
 ASSI {  688}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 43   and name HA2 ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.16889E-02 ppm1      3.381 ppm2      5.139 CV     1
 ASSI {  689}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.700     3.700     2.300 peak   689 spectrum    1 weight  0.10000E+01 volume  0.66588E-03 ppm1      1.388 ppm2      5.484 CV     1
 ASSI {  690}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.500     1.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.55149E-03 ppm1      1.689 ppm2      4.896 CV     1
 OR {  690}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  691}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
      3.800     1.800     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.73649E-03 ppm1      1.640 ppm2      4.894 CV     1
 ASSI {  694}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      3.200     3.200     2.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.80523E-03 ppm1      0.830 ppm2      5.029 CV     1
 ASSI {  698}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 61   and name HG11))
      2.600     2.600     3.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.95852E-03 ppm1      2.027 ppm2      1.224 CV     1
 ASSI {  699}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.88405E-02 ppm1      3.871 ppm2      4.441 CV     1
 OR {  699}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  704}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 61   and name HB  ))
      1.800     0.400     0.400 peak   704 spectrum    1 weight  0.10000E+01 volume  0.12525E-01 ppm1      0.807 ppm2      1.762 CV     1
 ASSI {  707}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 71   and name HG  ))
      1.800     0.400     0.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.24805E-01 ppm1      0.910 ppm2      1.669 CV     1
 OR {  707}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 71   and name HG  ))
 ASSI {  713}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.700     1.700     1.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.13071E-02 ppm1      1.884 ppm2      4.315 CV     1
 ASSI {  714}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.24449E-02 ppm1      1.364 ppm2      4.312 CV     1
 ASSI {  716}
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     0.900     0.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.26982E-02 ppm1      2.149 ppm2      4.150 CV     1
 OR {  716}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  720}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.400     1.400 peak   720 spectrum    1 weight  0.10000E+01 volume  0.16474E-02 ppm1      0.857 ppm2      3.920 CV     1
 ASSI {  725}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.700     3.700     2.300 peak   725 spectrum    1 weight  0.10000E+01 volume  0.41742E-03 ppm1      5.689 ppm2      4.242 CV     1
 ASSI {  726}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.400     2.400     1.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.20801E-03 ppm1      4.918 ppm2      3.704 CV     1
 OR {  726}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {  727}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      4.400     2.400     1.600 peak   727 spectrum    1 weight  0.10000E+01 volume  0.60131E-03 ppm1      5.147 ppm2      4.146 CV     1
 ASSI {  728}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.500     1.500 peak   728 spectrum    1 weight  0.10000E+01 volume  0.83600E-03 ppm1      4.574 ppm2      4.491 CV     1
 ASSI {  729}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
      2.200     0.600     0.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.90523E-02 ppm1      4.974 ppm2      0.711 CV     1
 OR {  729}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HG1%)
 ASSI {  733}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.100     0.500     0.500 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12362E-01 ppm1      4.120 ppm2      2.016 CV     1
 OR {  733}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  737}
   (( segid "    " and resid 43   and name HA2 ))
   (  segid "    " and resid 44   and name HG2%)
      2.900     2.900     3.100 peak   737 spectrum    1 weight  0.10000E+01 volume  0.22064E-02 ppm1      5.148 ppm2      0.758 CV     1
 ASSI {  738}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.300     2.300     3.700 peak   738 spectrum    1 weight  0.10000E+01 volume  0.17757E-02 ppm1      5.150 ppm2      0.626 CV     1
 ASSI {  742}
   (( segid "    " and resid 48   and name HE1 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.200     3.200     2.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12718E-02 ppm1      2.869 ppm2      1.642 CV     1
 OR {  742}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR {  742}
   (( segid "    " and resid 48   and name HE1 ))
   (( segid "    " and resid 67   and name HG1 ))
 OR {  742}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  743}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.15379E-02 ppm1      2.786 ppm2      1.920 CV     1
 OR {  743}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  744}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HB  ))
      3.500     3.500     2.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.78729E-03 ppm1      2.577 ppm2      2.097 CV     1
 ASSI {  745}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HB2 ))
      2.100     0.600     0.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.10782E-01 ppm1      2.252 ppm2      2.024 CV     1
 OR {  745}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HB1 ))
 OR {  745}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  745}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {  746}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
      1.700     1.700     4.300 peak   746 spectrum    1 weight  0.10000E+01 volume  0.11031E-01 ppm1      2.250 ppm2      2.020 CV     1
 OR {  746}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  747}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.100     0.500     0.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.96620E-02 ppm1      2.151 ppm2      1.983 CV     1
 OR {  747}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  748}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB1 ))
      1.800     0.400     0.400 peak   748 spectrum    1 weight  0.10000E+01 volume  0.11992E-01 ppm1      2.115 ppm2      1.981 CV     1
 ASSI {  749}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 59   and name HD2%)
      2.600     0.800     0.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.21544E-02 ppm1      2.145 ppm2      0.854 CV     1
 OR {  749}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI {  751}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      2.600     0.900     0.900 peak   751 spectrum    1 weight  0.10000E+01 volume  0.19161E-02 ppm1      2.005 ppm2      1.442 CV     1
 ASSI {  754}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 41   and name HG1 ))
      4.200     2.200     1.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.69079E-03 ppm1      3.698 ppm2      1.123 CV     1
 ASSI {  755}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.500     1.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.51339E-03 ppm1      3.920 ppm2      2.276 CV     1
 OR {  755}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI {  758}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      4.400     2.400     1.600 peak   758 spectrum    1 weight  0.10000E+01 volume  0.40985E-03 ppm1      7.182 ppm2      2.529 CV     1
 ASSI {  759}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.400     1.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.92779E-03 ppm1      7.096 ppm2      4.056 CV     1
 ASSI {  760}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 45   and name HA  ))
      3.400     3.400     2.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12953E-02 ppm1      0.778 ppm2      5.303 CV     1
 ASSI {  762}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   762 spectrum    1 weight  0.10000E+01 volume  0.70358E-03 ppm1      1.674 ppm2      4.959 CV     1
 ASSI {  766}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.600     1.600     1.600 peak   766 spectrum    1 weight  0.10000E+01 volume  0.11622E-02 ppm1      1.395 ppm2      4.923 CV     1
 OR {  766}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  767}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12003E-02 ppm1      1.391 ppm2      4.928 CV     1
 OR {  767}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  768}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     3.400     2.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.77428E-03 ppm1      1.461 ppm2      4.940 CV     1
 ASSI {  769}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 13   and name HA  ))
      2.700     2.700     3.300 peak   769 spectrum    1 weight  0.10000E+01 volume  0.47711E-02 ppm1      0.737 ppm2      5.058 CV     1
 ASSI {  770}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 43   and name HA2 ))
      2.600     2.600     3.400 peak   770 spectrum    1 weight  0.10000E+01 volume  0.90736E-03 ppm1      0.911 ppm2      5.128 CV     1
 ASSI {  772}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.46245E-02 ppm1      3.851 ppm2      4.457 CV     1
 ASSI {  773}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HB2 ))
      3.800     1.800     1.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.10135E-02 ppm1      2.943 ppm2      1.975 CV     1
 OR {  773}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HB1 ))
 OR {  773}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  773}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG1 ))
      3.100     3.100     2.900 peak   774 spectrum    1 weight  0.10000E+01 volume  0.80287E-03 ppm1      2.946 ppm2      2.208 CV     1
 OR {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  774}
   (( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI {  777}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     1.600     1.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.10464E-02 ppm1      1.695 ppm2      3.391 CV     1
 OR {  777}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  777}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  777}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  777}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  777}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  777}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  777}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  777}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  777}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  778}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 33   and name HA  ))
      3.000     3.000     3.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.29156E-02 ppm1      1.358 ppm2      4.130 CV     1
 ASSI {  779}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     2.700     3.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.27925E-02 ppm1      2.028 ppm2      3.913 CV     1
 ASSI {  781}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      3.100     3.100     2.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.25653E-02 ppm1      0.924 ppm2      4.328 CV     1
 ASSI {  786}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 59   and name HB2 ))
      3.900     1.900     1.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.30868E-03 ppm1      6.832 ppm2      1.870 CV     1
 OR {  786}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  791}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.400     1.500     1.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.69608E-03 ppm1      5.457 ppm2      2.204 CV     1
 ASSI {  799}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 48   and name HE1 ))
      3.900     1.900     1.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.48772E-03 ppm1      4.949 ppm2      2.888 CV     1
 OR {  799}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 48   and name HE2 ))
 ASSI {  801}
   (( segid "    " and resid 43   and name HA2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.500     1.500 peak   801 spectrum    1 weight  0.10000E+01 volume  0.71521E-03 ppm1      5.136 ppm2      1.516 CV     1
 ASSI {  802}
   (( segid "    " and resid 43   and name HA2 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.800     1.800     1.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.43073E-03 ppm1      5.143 ppm2      1.399 CV     1
 ASSI {  805}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      4.100     2.100     1.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.50735E-03 ppm1      5.056 ppm2      0.582 CV     1
 ASSI {  808}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HB  ))
      3.400     3.400     2.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.12134E-02 ppm1      4.982 ppm2      1.898 CV     1
 ASSI {  809}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      3.300     3.300     2.700 peak   809 spectrum    1 weight  0.10000E+01 volume  0.16136E-02 ppm1      4.823 ppm2      1.503 CV     1
 ASSI {  812}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.100     1.200     1.200 peak   812 spectrum    1 weight  0.10000E+01 volume  0.15568E-02 ppm1      4.903 ppm2      1.351 CV     1
 ASSI {  814}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.700     1.700     1.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.10016E-02 ppm1      4.899 ppm2      1.609 CV     1
 ASSI {  816}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      3.400     3.400     2.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.27337E-02 ppm1      4.928 ppm2      0.711 CV     1
 ASSI {  819}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.400     1.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.71610E-03 ppm1      4.595 ppm2      4.117 CV     1
 ASSI {  822}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      2.700     2.700     3.300 peak   822 spectrum    1 weight  0.10000E+01 volume  0.71086E-03 ppm1      4.489 ppm2      0.627 CV     1
 ASSI {  823}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 35   and name HG1%)
      4.100     2.100     1.900 peak   823 spectrum    1 weight  0.10000E+01 volume  0.48323E-03 ppm1      4.588 ppm2      0.651 CV     1
 ASSI {  824}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      3.300     3.300     2.700 peak   824 spectrum    1 weight  0.10000E+01 volume  0.82814E-03 ppm1      4.495 ppm2      0.656 CV     1
 ASSI {  829}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 44   and name HD1%)
      2.800     2.800     3.200 peak   829 spectrum    1 weight  0.10000E+01 volume  0.24442E-02 ppm1      4.091 ppm2      0.789 CV     1
 ASSI {  832}
   (( segid "    " and resid 25   and name HA2 ))
   (  segid "    " and resid 26   and name HB% )
      3.100     3.100     2.900 peak   832 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      3.988 ppm2      1.381 CV     1
 ASSI {  833}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG12))
      2.600     0.800     0.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.26251E-02 ppm1      3.923 ppm2      1.466 CV     1
 ASSI {  835}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 9    and name HG2 ))
      3.600     3.600     2.400 peak   835 spectrum    1 weight  0.10000E+01 volume  0.16011E-02 ppm1      3.994 ppm2      1.566 CV     1
 ASSI {  836}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      3.500     1.500     1.500 peak   836 spectrum    1 weight  0.10000E+01 volume  0.22510E-02 ppm1      4.029 ppm2      1.518 CV     1
 ASSI {  837}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 6    and name HG11))
      2.300     2.300     3.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.18070E-02 ppm1      4.031 ppm2      1.395 CV     1
 ASSI {  840}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 48   and name HE1 ))
      3.400     3.400     2.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.65580E-03 ppm1      4.007 ppm2      2.876 CV     1
 ASSI {  841}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.900     2.900     3.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.17999E-02 ppm1      4.097 ppm2      2.809 CV     1
 ASSI {  842}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.500     1.500     1.500 peak   842 spectrum    1 weight  0.10000E+01 volume  0.66677E-03 ppm1      4.171 ppm2      3.139 CV     1
 ASSI {  843}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HA  ))
      2.300     2.300     3.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.13055E-01 ppm1      4.272 ppm2      4.203 CV     1
 ASSI {  845}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 13   and name HB  ))
      3.900     1.900     1.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.58564E-03 ppm1      3.386 ppm2      1.877 CV     1
 ASSI {  849}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 50   and name HG2%)
      3.300     3.300     2.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.15750E-02 ppm1      3.386 ppm2      0.853 CV     1
 ASSI {  850}
   (( segid "    " and resid 43   and name HA1 ))
   (  segid "    " and resid 32   and name HG1%)
      2.800     1.000     1.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.24403E-02 ppm1      3.399 ppm2      0.646 CV     1
 OR {  850}
   (( segid "    " and resid 43   and name HA1 ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI {  851}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.38488E-02 ppm1      2.774 ppm2      1.512 CV     1
 ASSI {  852}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.000     3.000     3.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      2.865 ppm2      1.651 CV     1
 ASSI {  862}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 17   and name HD2 ))
      3.300     1.400     1.400 peak   862 spectrum    1 weight  0.10000E+01 volume  0.76597E-03 ppm1      2.216 ppm2      1.631 CV     1
 ASSI {  863}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 41   and name HG2 ))
      3.200     3.200     2.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.11665E-02 ppm1      2.191 ppm2      1.341 CV     1
 ASSI {  864}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 33   and name HG12))
      2.800     2.800     3.200 peak   864 spectrum    1 weight  0.10000E+01 volume  0.19492E-02 ppm1      1.966 ppm2      1.358 CV     1
 ASSI {  867}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 24   and name HG11))
      2.500     0.800     0.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.21095E-02 ppm1      4.149 ppm2      1.304 CV     1
 ASSI {  868}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 41   and name HG1 ))
      3.200     3.200     2.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.10984E-02 ppm1      1.632 ppm2      1.126 CV     1
 ASSI {  869}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 22   and name HG11))
      3.300     1.400     1.400 peak   869 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      1.645 ppm2      1.280 CV     1
 ASSI {  870}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 61   and name HG11))
      2.700     2.700     3.300 peak   870 spectrum    1 weight  0.10000E+01 volume  0.71362E-02 ppm1      1.490 ppm2      1.200 CV     1
 ASSI {  871}
   (( segid "    " and resid 61   and name HG11))
   (  segid "    " and resid 44   and name HG2%)
      2.800     2.800     3.200 peak   871 spectrum    1 weight  0.10000E+01 volume  0.58066E-02 ppm1      1.200 ppm2      0.754 CV     1
 ASSI {  875}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD2%)
      2.500     0.800     0.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.28394E-02 ppm1      1.092 ppm2      0.720 CV     1
 ASSI {  876}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.66131E-03 ppm1      1.970 ppm2      4.945 CV     1
 ASSI {  879}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.400     0.700     0.700 peak   879 spectrum    1 weight  0.10000E+01 volume  0.31626E-02 ppm1      1.515 ppm2      3.141 CV     1
 ASSI {  883}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 43   and name HA1 ))
      2.500     2.500     3.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.10286E-02 ppm1      0.732 ppm2      3.412 CV     1
 ASSI {  886}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HE2 ))
      2.600     0.800     0.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.52373E-02 ppm1      1.502 ppm2      2.896 CV     1
 OR {  886}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HE1 ))
 OR {  886}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HE2 ))
 OR {  886}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HE1 ))
 ASSI {  887}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 65   and name HB1 ))
      4.000     2.000     2.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.11519E-02 ppm1      0.805 ppm2      2.763 CV     1
 ASSI {  890}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 27   and name HB1 ))
      3.500     3.500     2.500 peak   890 spectrum    1 weight  0.10000E+01 volume  0.71060E-03 ppm1      0.718 ppm2      2.525 CV     1
 ASSI {  892}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 82   and name HG2 ))
      2.300     2.300     3.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.17079E-02 ppm1      1.421 ppm2      2.354 CV     1
 ASSI {  895}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HB  ))
      2.200     0.600     0.600 peak   895 spectrum    1 weight  0.10000E+01 volume  0.82583E-02 ppm1      0.912 ppm2      1.867 CV     1
 ASSI {  896}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 20   and name HB1 ))
      2.100     2.100     3.900 peak   896 spectrum    1 weight  0.10000E+01 volume  0.69910E-02 ppm1      0.920 ppm2      2.002 CV     1
 ASSI {  897}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 20   and name HB2 ))
      3.000     3.000     3.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.45117E-02 ppm1      0.945 ppm2      2.085 CV     1
 ASSI {  898}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     2.400     3.600 peak   898 spectrum    1 weight  0.10000E+01 volume  0.77032E-02 ppm1      1.408 ppm2      1.713 CV     1
 OR {  898}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  899}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 50   and name HB  ))
      2.300     0.700     0.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.73338E-02 ppm1      1.419 ppm2      1.821 CV     1
 ASSI {  900}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.500     2.500     3.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.51014E-02 ppm1      1.410 ppm2      1.859 CV     1
 ASSI {  901}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     0.600     0.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.66601E-02 ppm1      1.407 ppm2      1.926 CV     1
 OR {  901}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  901}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  901}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  902}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     2.300     3.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.64341E-02 ppm1      1.401 ppm2      1.969 CV     1
 ASSI {  903}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 39   and name HG1 ))
      2.800     1.000     1.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.22547E-02 ppm1      1.404 ppm2      2.220 CV     1
 ASSI {    1}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.66148E-03 ppm1      8.806 ppm2      5.121 CV     1
 ASSI {    1}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.300     1.300 peak     1 spectrum    1 weight  0.10000E+01 volume  0.74230E-03 ppm1      8.798 ppm2      4.122 CV     1
 ASSI {    2}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.15119E-02 ppm1      8.804 ppm2      3.946 CV     1
 ASSI {    3}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      2.900     1.100     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.14493E-02 ppm1      8.790 ppm2      1.518 CV     1
 ASSI {    4}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.100     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      8.798 ppm2      1.334 CV     1
 OR {    4}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {    5}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.700     1.700     1.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.61472E-03 ppm1      8.801 ppm2      1.094 CV     1
 ASSI {    6}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.500     1.500     1.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.78724E-03 ppm1      8.796 ppm2      0.837 CV     1
 ASSI {    7}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.400     1.400     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.15257E-02 ppm1      8.797 ppm2      0.641 CV     1
 ASSI {   10}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.41777E-02 ppm1      9.737 ppm2      4.940 CV     1
 ASSI {   11}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.100     1.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.14723E-02 ppm1      9.745 ppm2      1.640 CV     1
 OR {   11}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {   12}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.600     3.600     2.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.51956E-03 ppm1      9.745 ppm2      1.311 CV     1
 ASSI {   13}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.800     3.800     2.200 peak    13 spectrum    1 weight  0.10000E+01 volume  0.80398E-03 ppm1      9.733 ppm2      1.072 CV     1
 ASSI {   14}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.400     1.500     1.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.90350E-03 ppm1      9.739 ppm2      0.608 CV     1
 ASSI {   15}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HG1%)
      2.900     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.30417E-02 ppm1      9.739 ppm2      0.723 CV     1
 ASSI {   16}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.49140E-03 ppm1      8.896 ppm2      5.312 CV     1
 ASSI {   17}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.16210E-02 ppm1      8.895 ppm2      4.991 CV     1
 ASSI {   21}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HG11))
      2.800     2.800     3.200 peak    21 spectrum    1 weight  0.10000E+01 volume  0.24887E-02 ppm1      8.895 ppm2      0.735 CV     1
 ASSI {   23}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.15444E-02 ppm1      9.071 ppm2      4.742 CV     1
 ASSI {   24}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.700     1.700     1.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.30023E-03 ppm1      9.078 ppm2      4.341 CV     1
 ASSI {   25}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      3.500     1.500     1.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.77241E-03 ppm1      9.059 ppm2      2.103 CV     1
 OR {   25}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI {   26}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      3.400     1.500     1.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.77809E-03 ppm1      9.071 ppm2      1.522 CV     1
 ASSI {   27}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      3.700     1.700     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.10079E-02 ppm1      9.072 ppm2      0.673 CV     1
 ASSI {   28}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.54696E-02 ppm1      7.973 ppm2      4.297 CV     1
 ASSI {   29}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     3.400     2.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.75460E-03 ppm1      8.667 ppm2      4.574 CV     1
 ASSI {   30}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.44229E-02 ppm1      8.661 ppm2      4.042 CV     1
 ASSI {   31}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.000     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.20399E-02 ppm1      8.665 ppm2      2.562 CV     1
 ASSI {   33}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     1.300     1.300 peak    33 spectrum    1 weight  0.10000E+01 volume  0.97793E-03 ppm1      8.623 ppm2      9.343 CV     1
 ASSI {   35}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.35209E-02 ppm1      8.621 ppm2      5.428 CV     1
 ASSI {   36}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.10414E-02 ppm1      8.622 ppm2      5.322 CV     1
 ASSI {   37}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.200     1.200 peak    37 spectrum    1 weight  0.10000E+01 volume  0.10285E-02 ppm1      8.619 ppm2      4.610 CV     1
 ASSI {   38}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.600     1.600     1.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.71473E-03 ppm1      8.623 ppm2      2.271 CV     1
 ASSI {   39}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.300     3.300     2.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.14433E-02 ppm1      8.624 ppm2      1.866 CV     1
 ASSI {   40}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.900     1.100     1.100 peak    40 spectrum    1 weight  0.10000E+01 volume  0.12121E-02 ppm1      8.619 ppm2      1.503 CV     1
 ASSI {   41}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.100     1.200     1.200 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      8.620 ppm2      1.394 CV     1
 ASSI {   42}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
      3.400     3.400     2.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.76988E-03 ppm1      8.622 ppm2      0.798 CV     1
 ASSI {   43}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.900     1.900     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.66162E-03 ppm1      8.623 ppm2      0.504 CV     1
 ASSI {   44}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak    44 spectrum    1 weight  0.10000E+01 volume  0.93418E-03 ppm1      8.677 ppm2      8.832 CV     1
 ASSI {   46}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.400     3.400     2.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.88254E-03 ppm1      8.675 ppm2      4.768 CV     1
 ASSI {   47}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.15498E-02 ppm1      8.675 ppm2      4.609 CV     1
 ASSI {   48}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.600     0.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.61002E-02 ppm1      8.677 ppm2      4.324 CV     1
 ASSI {   49}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.18844E-02 ppm1      8.681 ppm2      1.995 CV     1
 ASSI {   50}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.500     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.30745E-02 ppm1      8.674 ppm2      1.864 CV     1
 ASSI {   51}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 34   and name HB% )
      3.700     3.700     2.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.73471E-03 ppm1      8.673 ppm2      1.331 CV     1
 ASSI {   53}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      3.100     1.200     1.200 peak    53 spectrum    1 weight  0.10000E+01 volume  0.15161E-02 ppm1      8.674 ppm2      0.633 CV     1
 ASSI {   54}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     1.400     1.400 peak    54 spectrum    1 weight  0.10000E+01 volume  0.65447E-03 ppm1      9.103 ppm2      4.735 CV     1
 ASSI {   55}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.17070E-02 ppm1      9.097 ppm2      4.395 CV     1
 ASSI {   56}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
      4.000     2.000     2.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.39801E-03 ppm1      9.105 ppm2      2.087 CV     1
 ASSI {   57}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.100     1.200     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.95190E-03 ppm1      9.106 ppm2      1.465 CV     1
 OR {   57}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {   58}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.400     1.400     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      9.104 ppm2      1.415 CV     1
 ASSI {   59}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG12))
      4.500     2.500     1.500 peak    59 spectrum    1 weight  0.10000E+01 volume  0.33055E-03 ppm1      9.103 ppm2      1.256 CV     1
 ASSI {   61}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.300     3.300     2.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.96132E-03 ppm1      9.101 ppm2      0.643 CV     1
 ASSI {   62}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.31717E-02 ppm1      8.964 ppm2      5.046 CV     1
 ASSI {   64}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      3.900     1.900     1.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.42020E-03 ppm1      8.963 ppm2      1.873 CV     1
 ASSI {   65}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 43   and name HA1 ))
      4.800     2.900     1.200 peak    65 spectrum    1 weight  0.10000E+01 volume  0.36246E-03 ppm1      8.959 ppm2      3.376 CV     1
 ASSI {   66}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.000     1.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.11567E-02 ppm1      8.966 ppm2      1.489 CV     1
 ASSI {   67}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.600     1.600     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.85234E-03 ppm1      8.966 ppm2      1.302 CV     1
 ASSI {   68}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      4.000     2.000     2.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.37668E-03 ppm1      8.975 ppm2      1.069 CV     1
 ASSI {   71}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.58350E-03 ppm1      8.833 ppm2      7.088 CV     1
 ASSI {   72}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.400     1.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.67996E-03 ppm1      8.829 ppm2      5.272 CV     1
 ASSI {   73}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.22991E-02 ppm1      8.827 ppm2      4.987 CV     1
 ASSI {   74}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.100     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.12187E-02 ppm1      8.828 ppm2      1.916 CV     1
 OR {   74}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI {   75}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.400     1.500     1.500 peak    75 spectrum    1 weight  0.10000E+01 volume  0.21648E-02 ppm1      8.826 ppm2      0.711 CV     1
 ASSI {   76}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.200     1.200 peak    76 spectrum    1 weight  0.10000E+01 volume  0.95284E-03 ppm1      8.705 ppm2      9.030 CV     1
 ASSI {   77}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
      3.300     1.400     1.400 peak    77 spectrum    1 weight  0.10000E+01 volume  0.70145E-03 ppm1      8.705 ppm2      7.313 CV     1
 ASSI {   78}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.35878E-02 ppm1      8.706 ppm2      5.310 CV     1
 ASSI {   80}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.600     3.600     2.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.60930E-03 ppm1      8.696 ppm2      1.861 CV     1
 ASSI {   81}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HB% )
      3.100     1.200     1.200 peak    81 spectrum    1 weight  0.10000E+01 volume  0.10150E-02 ppm1      8.706 ppm2      1.208 CV     1
 ASSI {   82}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HG11))
      3.800     1.800     1.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.42301E-03 ppm1      8.704 ppm2      0.715 CV     1
 ASSI {   83}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     3.300     2.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.96034E-03 ppm1      9.482 ppm2      8.996 CV     1
 ASSI {   84}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.87410E-03 ppm1      9.329 ppm2      9.498 CV     1
 ASSI {   85}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.49807E-03 ppm1      9.327 ppm2      8.986 CV     1
 ASSI {   86}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.43844E-03 ppm1      9.329 ppm2      5.435 CV     1
 ASSI {   87}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA2 ))
      2.600     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.17971E-02 ppm1      9.331 ppm2      5.127 CV     1
 ASSI {   88}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.900     1.000     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.15543E-02 ppm1      9.333 ppm2      4.998 CV     1
 ASSI {   89}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.27280E-02 ppm1      9.477 ppm2      5.475 CV     1
 ASSI {   90}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.000     2.000     2.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.57058E-03 ppm1      9.477 ppm2      4.791 CV     1
 ASSI {   91}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.13400E-02 ppm1      9.478 ppm2      4.906 CV     1
 ASSI {   92}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.400     1.500     1.500 peak    92 spectrum    1 weight  0.10000E+01 volume  0.76784E-03 ppm1      9.477 ppm2      3.683 CV     1
 ASSI {   93}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak    93 spectrum    1 weight  0.10000E+01 volume  0.68666E-03 ppm1      9.469 ppm2      1.916 CV     1
 OR {   93}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {   94}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.900     1.900     1.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.43122E-03 ppm1      9.473 ppm2      1.698 CV     1
 OR {   94}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {   95}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.700     1.700     1.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.80927E-03 ppm1      9.476 ppm2      1.448 CV     1
 ASSI {   96}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      4.000     2.000     2.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.85412E-03 ppm1      9.473 ppm2      1.330 CV     1
 ASSI {   99}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA1 ))
      3.400     1.500     1.500 peak    99 spectrum    1 weight  0.10000E+01 volume  0.14099E-02 ppm1      9.334 ppm2      3.371 CV     1
 ASSI {  100}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.400     1.500     1.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.57427E-03 ppm1      9.329 ppm2      2.239 CV     1
 ASSI {  101}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.200     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.13197E-02 ppm1      9.334 ppm2      1.859 CV     1
 ASSI {  102}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      3.200     3.200     2.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.34956E-03 ppm1      9.343 ppm2      1.530 CV     1
 ASSI {  104}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      2.800     2.800     3.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.75150E-03 ppm1      9.330 ppm2      0.603 CV     1
 ASSI {  105}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HG11))
      2.500     0.800     0.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.28955E-02 ppm1      9.331 ppm2      0.723 CV     1
 ASSI {  106}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.36167E-02 ppm1      8.556 ppm2      4.287 CV     1
 ASSI {  107}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      3.500     1.500     1.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.76007E-03 ppm1      8.553 ppm2      4.016 CV     1
 OR {  107}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
 ASSI {  108}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      3.100     1.200     1.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.11918E-02 ppm1      8.556 ppm2      2.395 CV     1
 OR {  108}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  109}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.100     0.600     0.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.10435E-01 ppm1      8.554 ppm2      1.998 CV     1
 OR {  109}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  110}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.300     1.300     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.16427E-02 ppm1      8.559 ppm2      1.767 CV     1
 ASSI {  111}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG11))
      3.500     1.500     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.67938E-03 ppm1      8.558 ppm2      1.383 CV     1
 OR {  111}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG12))
 ASSI {  112}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.400     3.400     2.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.90785E-03 ppm1      8.561 ppm2      1.112 CV     1
 ASSI {  113}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      2.500     2.500     3.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.44052E-02 ppm1      8.550 ppm2      0.820 CV     1
 ASSI {  114}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.38717E-03 ppm1      8.929 ppm2      9.520 CV     1
 ASSI {  115}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.87082E-03 ppm1      8.923 ppm2      5.484 CV     1
 ASSI {  116}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   116 spectrum    1 weight  0.10000E+01 volume  0.62431E-03 ppm1      8.929 ppm2      5.123 CV     1
 ASSI {  117}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      2.900     1.000     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.12802E-02 ppm1      8.920 ppm2      1.556 CV     1
 ASSI {  118}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.900     1.900     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.76739E-03 ppm1      8.925 ppm2      1.415 CV     1
 ASSI {  121}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.12317E-02 ppm1      8.920 ppm2      0.687 CV     1
 ASSI {  122}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      3.500     1.500     1.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.66801E-03 ppm1      8.930 ppm2      0.558 CV     1
 ASSI {  123}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.59057E-02 ppm1      8.204 ppm2      4.339 CV     1
 ASSI {  124}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.800     1.000     1.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.22014E-02 ppm1      8.208 ppm2      3.848 CV     1
 OR {  124}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  125}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HB% )
      2.200     0.600     0.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.85985E-02 ppm1      8.204 ppm2      1.384 CV     1
 ASSI {  127}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     1.700     1.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.61472E-03 ppm1      8.746 ppm2      8.966 CV     1
 ASSI {  128}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.300     1.400     1.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.67001E-03 ppm1      8.744 ppm2      7.707 CV     1
 ASSI {  129}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak   129 spectrum    1 weight  0.10000E+01 volume  0.85958E-03 ppm1      8.735 ppm2      4.811 CV     1
 ASSI {  130}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     2.700     3.300 peak   130 spectrum    1 weight  0.10000E+01 volume  0.99653E-03 ppm1      8.735 ppm2      4.764 CV     1
 ASSI {  132}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     2.800     3.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.69306E-03 ppm1      8.738 ppm2      4.331 CV     1
 ASSI {  133}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      3.400     1.400     1.400 peak   133 spectrum    1 weight  0.10000E+01 volume  0.93467E-03 ppm1      8.731 ppm2      1.976 CV     1
 ASSI {  134}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak   134 spectrum    1 weight  0.10000E+01 volume  0.14417E-02 ppm1      8.735 ppm2      1.573 CV     1
 ASSI {  135}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      2.600     0.900     0.900 peak   135 spectrum    1 weight  0.10000E+01 volume  0.20612E-02 ppm1      8.737 ppm2      1.319 CV     1
 ASSI {  136}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      3.700     1.700     1.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.90523E-03 ppm1      8.735 ppm2      1.129 CV     1
 ASSI {  137}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
      3.100     1.200     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.19662E-02 ppm1      8.732 ppm2      0.876 CV     1
 ASSI {  138}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.100     3.100     2.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      8.728 ppm2      0.661 CV     1
 ASSI {  139}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     1.000     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.17524E-02 ppm1      8.386 ppm2      8.849 CV     1
 ASSI {  140}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.600     0.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.51747E-02 ppm1      8.385 ppm2      7.758 CV     1
 ASSI {  141}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.30558E-02 ppm1      8.386 ppm2      4.533 CV     1
 ASSI {  142}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.66930E-02 ppm1      8.387 ppm2      3.963 CV     1
 ASSI {  143}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      2.400     2.400     3.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.42959E-02 ppm1      8.385 ppm2      3.565 CV     1
 ASSI {  144}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.900     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.17552E-02 ppm1      8.384 ppm2      2.902 CV     1
 ASSI {  145}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.900     1.100     1.100 peak   145 spectrum    1 weight  0.10000E+01 volume  0.15646E-02 ppm1      8.385 ppm2      2.614 CV     1
 ASSI {  146}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.400     1.500     1.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.87352E-03 ppm1      8.386 ppm2      2.188 CV     1
 OR {  146}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  147}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.400     1.400 peak   147 spectrum    1 weight  0.10000E+01 volume  0.10257E-02 ppm1      8.386 ppm2      1.890 CV     1
 ASSI {  148}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     2.000     2.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.60540E-03 ppm1      8.164 ppm2      5.669 CV     1
 ASSI {  149}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.800     0.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.21952E-02 ppm1      8.156 ppm2      4.947 CV     1
 ASSI {  150}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.51587E-03 ppm1      8.156 ppm2      3.961 CV     1
 ASSI {  151}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      3.200     1.300     1.300 peak   151 spectrum    1 weight  0.10000E+01 volume  0.88645E-03 ppm1      8.162 ppm2      1.602 CV     1
 ASSI {  152}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 22   and name HG11))
      4.200     2.200     1.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.56441E-03 ppm1      8.153 ppm2      1.256 CV     1
 ASSI {  153}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.800     1.800     1.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.12427E-02 ppm1      8.150 ppm2      1.063 CV     1
 ASSI {  154}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 30   and name HG1%)
      3.000     3.000     3.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.12652E-02 ppm1      8.154 ppm2      0.699 CV     1
 ASSI {  156}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.28052E-02 ppm1      8.740 ppm2      5.299 CV     1
 ASSI {  157}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     1.300     1.300 peak   157 spectrum    1 weight  0.10000E+01 volume  0.87250E-03 ppm1      8.738 ppm2      4.988 CV     1
 ASSI {  158}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.200     2.300     1.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.41638E-03 ppm1      8.741 ppm2      4.735 CV     1
 ASSI {  159}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
      3.800     1.800     1.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.42845E-03 ppm1      8.748 ppm2      2.073 CV     1
 ASSI {  160}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      3.000     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.15976E-02 ppm1      8.743 ppm2      1.900 CV     1
 ASSI {  161}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.900     1.900     1.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.70016E-03 ppm1      8.743 ppm2      1.936 CV     1
 ASSI {  162}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG1 ))
      3.300     1.400     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.86646E-03 ppm1      8.738 ppm2      1.448 CV     1
 ASSI {  163}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 22   and name HG11))
      4.000     2.000     2.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.55886E-03 ppm1      8.747 ppm2      1.248 CV     1
 ASSI {  165}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      3.100     3.100     2.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.21547E-02 ppm1      8.743 ppm2      0.710 CV     1
 ASSI {  166}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.44152E-03 ppm1      9.337 ppm2      4.718 CV     1
 ASSI {  167}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.400     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.54634E-03 ppm1      9.341 ppm2      3.359 CV     1
 OR {  167}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  168}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      4.400     2.400     1.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.50992E-03 ppm1      9.341 ppm2      2.117 CV     1
 ASSI {  169}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.500     1.500     1.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.50188E-03 ppm1      9.336 ppm2      1.886 CV     1
 OR {  169}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  172}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.50002E-03 ppm1      8.370 ppm2      8.981 CV     1
 ASSI {  173}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak   173 spectrum    1 weight  0.10000E+01 volume  0.79883E-03 ppm1      8.373 ppm2      8.618 CV     1
 ASSI {  174}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   174 spectrum    1 weight  0.10000E+01 volume  0.86615E-03 ppm1      8.368 ppm2      5.041 CV     1
 ASSI {  175}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.73946E-02 ppm1      8.373 ppm2      4.617 CV     1
 ASSI {  176}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      2.500     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.34144E-02 ppm1      8.363 ppm2      1.862 CV     1
 ASSI {  177}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.600     1.600     1.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.10871E-02 ppm1      8.375 ppm2      1.496 CV     1
 ASSI {  178}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HG1%)
      2.600     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.29983E-02 ppm1      8.368 ppm2      0.703 CV     1
 ASSI {  179}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      2.400     2.400     3.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.53728E-02 ppm1      8.370 ppm2      0.802 CV     1
 ASSI {  181}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.33885E-02 ppm1      8.168 ppm2      4.567 CV     1
 ASSI {  182}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.500     1.600     1.600 peak   182 spectrum    1 weight  0.10000E+01 volume  0.97881E-03 ppm1      8.167 ppm2      2.553 CV     1
 ASSI {  183}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      2.700     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.22802E-02 ppm1      8.178 ppm2      1.498 CV     1
 ASSI {  184}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG12))
      3.200     3.200     2.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.86154E-03 ppm1      8.176 ppm2      0.745 CV     1
 OR {  184}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG11))
 ASSI {  185}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      3.400     1.500     1.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.11626E-02 ppm1      8.175 ppm2      0.574 CV     1
 ASSI {  186}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      1.900     1.900     4.100 peak   186 spectrum    1 weight  0.10000E+01 volume  0.16190E-01 ppm1      8.096 ppm2      4.035 CV     1
 ASSI {  187}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.500     0.800     0.800 peak   187 spectrum    1 weight  0.10000E+01 volume  0.26305E-02 ppm1      8.098 ppm2      2.059 CV     1
 ASSI {  188}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.400     2.400     3.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.65473E-02 ppm1      8.120 ppm2      1.814 CV     1
 ASSI {  189}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      2.800     2.800     3.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16601E-02 ppm1      8.096 ppm2      1.151 CV     1
 ASSI {  190}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      2.700     2.700     3.300 peak   190 spectrum    1 weight  0.10000E+01 volume  0.44270E-02 ppm1      8.094 ppm2      0.893 CV     1
 ASSI {  191}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      2.000     2.000     4.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.12682E-01 ppm1      8.101 ppm2      1.861 CV     1
 ASSI {  192}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.28412E-02 ppm1      8.114 ppm2      4.568 CV     1
 ASSI {  193}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     3.600     2.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.63328E-03 ppm1      7.959 ppm2      8.366 CV     1
 ASSI {  194}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.34057E-02 ppm1      7.968 ppm2      8.187 CV     1
 ASSI {  196}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.400     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      7.972 ppm2      7.362 CV     1
 ASSI {  199}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.600     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.30111E-02 ppm1      7.956 ppm2      3.899 CV     1
 ASSI {  200}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.700     1.700     1.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.34711E-03 ppm1      7.964 ppm2      3.350 CV     1
 OR {  200}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  201}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   201 spectrum    1 weight  0.10000E+01 volume  0.18856E-02 ppm1      7.974 ppm2      3.116 CV     1
 ASSI {  202}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.22844E-02 ppm1      7.973 ppm2      2.819 CV     1
 ASSI {  203}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.300     1.400     1.400 peak   203 spectrum    1 weight  0.10000E+01 volume  0.10143E-02 ppm1      7.958 ppm2      2.012 CV     1
 ASSI {  204}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG12))
      3.000     1.100     1.100 peak   204 spectrum    1 weight  0.10000E+01 volume  0.32610E-02 ppm1      7.958 ppm2      1.435 CV     1
 ASSI {  205}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG11))
      2.500     0.800     0.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.18020E-02 ppm1      7.956 ppm2      1.199 CV     1
 ASSI {  206}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      3.200     3.200     2.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.23295E-02 ppm1      7.953 ppm2      1.049 CV     1
 ASSI {  207}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.200     1.300     1.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.12060E-02 ppm1      7.964 ppm2      2.106 CV     1
 ASSI {  210}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      2.400     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.49016E-02 ppm1      7.954 ppm2      1.745 CV     1
 ASSI {  211}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.300     2.300     1.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.30531E-03 ppm1      9.230 ppm2      9.010 CV     1
 ASSI {  212}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak   212 spectrum    1 weight  0.10000E+01 volume  0.14884E-02 ppm1      9.236 ppm2      4.889 CV     1
 ASSI {  213}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 39   and name HG1 ))
      4.900     3.000     1.100 peak   213 spectrum    1 weight  0.10000E+01 volume  0.18003E-03 ppm1      9.232 ppm2      2.187 CV     1
 ASSI {  214}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak   214 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      9.232 ppm2      1.951 CV     1
 ASSI {  215}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.700     1.700     1.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.40405E-03 ppm1      9.240 ppm2      1.613 CV     1
 OR {  215}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  216}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.100     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.12683E-02 ppm1      9.237 ppm2      1.405 CV     1
 ASSI {  217}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.900     1.900     1.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.35647E-03 ppm1      9.238 ppm2      0.631 CV     1
 ASSI {  218}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak   218 spectrum    1 weight  0.10000E+01 volume  0.10063E-02 ppm1      8.638 ppm2      8.888 CV     1
 ASSI {  219}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.22800E-02 ppm1      8.638 ppm2      8.067 CV     1
 ASSI {  220}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.700     1.700     1.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.92854E-03 ppm1      8.632 ppm2      4.735 CV     1
 ASSI {  221}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.21768E-02 ppm1      8.637 ppm2      4.289 CV     1
 ASSI {  222}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      2.700     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.26376E-02 ppm1      8.640 ppm2      3.998 CV     1
 ASSI {  223}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
      3.400     1.500     1.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.71313E-03 ppm1      8.641 ppm2      1.280 CV     1
 OR {  223}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HG11))
 ASSI {  224}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      2.400     2.400     3.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.73982E-02 ppm1      8.642 ppm2      1.380 CV     1
 ASSI {  226}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.900     2.900     3.100 peak   226 spectrum    1 weight  0.10000E+01 volume  0.61068E-03 ppm1      8.007 ppm2      2.802 CV     1
 OR {  226}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  228}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.85381E-03 ppm1      7.320 ppm2      8.657 CV     1
 ASSI {  230}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.16501E-02 ppm1      7.319 ppm2      4.734 CV     1
 ASSI {  231}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.400     1.400 peak   231 spectrum    1 weight  0.10000E+01 volume  0.96638E-03 ppm1      7.320 ppm2      4.474 CV     1
 ASSI {  232}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     2.800     3.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.18161E-02 ppm1      7.316 ppm2      4.046 CV     1
 ASSI {  233}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.900     1.000     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.83360E-03 ppm1      7.324 ppm2      3.387 CV     1
 ASSI {  234}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      4.300     2.300     1.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.77361E-03 ppm1      7.323 ppm2      3.088 CV     1
 ASSI {  235}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.400     3.400     2.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.83107E-03 ppm1      7.323 ppm2      2.532 CV     1
 ASSI {  236}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.600     2.600     3.400 peak   236 spectrum    1 weight  0.10000E+01 volume  0.38958E-02 ppm1      7.322 ppm2      1.807 CV     1
 ASSI {  237}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG11))
      3.100     1.200     1.200 peak   237 spectrum    1 weight  0.10000E+01 volume  0.96585E-03 ppm1      7.321 ppm2      1.433 CV     1
 OR {  237}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
 ASSI {  239}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.100     1.200     1.200 peak   239 spectrum    1 weight  0.10000E+01 volume  0.12102E-02 ppm1      7.322 ppm2      0.866 CV     1
 ASSI {  241}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      2.400     0.700     0.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.38212E-02 ppm1      7.319 ppm2      0.692 CV     1
 ASSI {  242}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.900     1.100     1.100 peak   242 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      8.314 ppm2      3.894 CV     1
 ASSI {  243}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.58146E-02 ppm1      8.311 ppm2      2.628 CV     1
 ASSI {  244}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.000     2.000     4.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.56490E-02 ppm1      8.312 ppm2      4.397 CV     1
 ASSI {  245}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   245 spectrum    1 weight  0.10000E+01 volume  0.52542E-02 ppm1      8.308 ppm2      4.597 CV     1
 ASSI {  246}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   246 spectrum    1 weight  0.10000E+01 volume  0.42116E-03 ppm1      9.432 ppm2      8.745 CV     1
 ASSI {  247}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.100     1.100 peak   247 spectrum    1 weight  0.10000E+01 volume  0.12954E-02 ppm1      9.423 ppm2      5.683 CV     1
 ASSI {  248}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.500     1.500     1.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.57684E-03 ppm1      9.433 ppm2      4.932 CV     1
 ASSI {  249}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.500     1.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.51023E-03 ppm1      9.421 ppm2      4.385 CV     1
 ASSI {  250}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.000     1.100     1.100 peak   250 spectrum    1 weight  0.10000E+01 volume  0.11074E-02 ppm1      9.422 ppm2      1.442 CV     1
 ASSI {  251}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG11))
      2.900     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.13784E-02 ppm1      9.430 ppm2      1.258 CV     1
 OR {  251}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG12))
 ASSI {  252}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.300     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.13262E-02 ppm1      9.423 ppm2      0.666 CV     1
 ASSI {  254}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.89671E-03 ppm1      8.384 ppm2      4.569 CV     1
 ASSI {  255}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     3.400     2.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.90425E-03 ppm1      8.387 ppm2      3.153 CV     1
 OR {  255}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  257}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.000     1.100     1.100 peak   257 spectrum    1 weight  0.10000E+01 volume  0.16331E-02 ppm1      8.387 ppm2      1.483 CV     1
 OR {  257}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  258}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HD2 ))
      3.800     1.800     1.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.63284E-03 ppm1      8.394 ppm2      1.035 CV     1
 OR {  258}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  259}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.300     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.53177E-02 ppm1      8.140 ppm2      4.090 CV     1
 ASSI {  261}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG2 ))
      2.400     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.40126E-02 ppm1      8.138 ppm2      2.154 CV     1
 OR {  261}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
 ASSI {  262}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.200     0.600     0.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.51143E-02 ppm1      8.140 ppm2      1.950 CV     1
 ASSI {  263}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      2.500     0.800     0.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.24940E-02 ppm1      8.139 ppm2      1.716 CV     1
 ASSI {  264}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG12))
      3.700     1.700     1.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.11378E-02 ppm1      8.136 ppm2      1.469 CV     1
 ASSI {  265}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      2.600     2.600     3.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.25589E-02 ppm1      8.142 ppm2      0.812 CV     1
 ASSI {  266}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.24129E-02 ppm1      8.101 ppm2      4.619 CV     1
 ASSI {  267}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.000     2.000     4.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.14828E-01 ppm1      8.102 ppm2      4.159 CV     1
 ASSI {  268}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.300     1.300     1.300 peak   268 spectrum    1 weight  0.10000E+01 volume  0.10172E-02 ppm1      8.104 ppm2      3.907 CV     1
 ASSI {  270}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.700     2.700     3.300 peak   270 spectrum    1 weight  0.10000E+01 volume  0.41561E-02 ppm1      8.103 ppm2      2.777 CV     1
 OR {  270}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  271}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
      3.000     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.34289E-02 ppm1      8.105 ppm2      2.246 CV     1
 OR {  271}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG1 ))
 ASSI {  272}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.700     0.900     0.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.27447E-02 ppm1      8.100 ppm2      1.608 CV     1
 OR {  272}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  274}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HB% )
      3.200     3.200     2.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.17371E-02 ppm1      8.115 ppm2      1.416 CV     1
 ASSI {  275}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HG11))
      3.700     1.700     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.81096E-03 ppm1      8.104 ppm2      1.224 CV     1
 ASSI {  276}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
      2.700     2.700     3.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.80691E-03 ppm1      8.106 ppm2      0.771 CV     1
 ASSI {  278}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   278 spectrum    1 weight  0.10000E+01 volume  0.87144E-03 ppm1      8.305 ppm2      8.629 CV     1
 ASSI {  279}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   279 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      8.318 ppm2      5.434 CV     1
 ASSI {  280}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.700     0.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.51121E-02 ppm1      8.316 ppm2      4.955 CV     1
 ASSI {  281}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.100     1.200     1.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.18689E-02 ppm1      8.304 ppm2      3.187 CV     1
 OR {  281}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  283}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.41881E-02 ppm1      8.291 ppm2      8.098 CV     1
 ASSI {  284}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.100     2.100     3.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.11770E-01 ppm1      8.286 ppm2      4.128 CV     1
 ASSI {  286}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.000     2.000     2.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.55140E-03 ppm1      8.291 ppm2      2.789 CV     1
 OR {  286}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  287}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.38650E-02 ppm1      8.288 ppm2      2.266 CV     1
 OR {  287}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI {  289}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.000     0.500     0.500 peak   289 spectrum    1 weight  0.10000E+01 volume  0.14329E-01 ppm1      8.289 ppm2      2.014 CV     1
 OR {  289}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {  290}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.400     1.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.12712E-02 ppm1      8.388 ppm2      8.700 CV     1
 ASSI {  291}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.13289E-02 ppm1      8.389 ppm2      4.316 CV     1
 ASSI {  292}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      2.600     0.900     0.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.27220E-02 ppm1      8.388 ppm2      1.852 CV     1
 ASSI {  294}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HB% )
      2.400     0.700     0.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.40067E-02 ppm1      8.388 ppm2      1.344 CV     1
 ASSI {  295}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.31569E-02 ppm1      8.389 ppm2      0.928 CV     1
 ASSI {  296}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      3.000     3.000     3.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.26869E-02 ppm1      8.390 ppm2      0.636 CV     1
 ASSI {  299}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.81486E-03 ppm1      7.345 ppm2      4.157 CV     1
 ASSI {  300}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.400     1.500     1.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.99538E-03 ppm1      7.347 ppm2      2.108 CV     1
 ASSI {  301}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG12))
      3.700     1.700     1.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.38458E-03 ppm1      7.351 ppm2      1.440 CV     1
 ASSI {  302}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG11))
      3.700     1.800     1.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.59434E-03 ppm1      7.348 ppm2      1.248 CV     1
 ASSI {  303}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.64945E-03 ppm1      7.347 ppm2      0.866 CV     1
 ASSI {  306}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.500     1.500 peak   306 spectrum    1 weight  0.10000E+01 volume  0.47666E-03 ppm1      8.994 ppm2      5.697 CV     1
 ASSI {  307}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.100     2.100     1.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.33662E-03 ppm1      8.988 ppm2      5.500 CV     1
 ASSI {  308}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   308 spectrum    1 weight  0.10000E+01 volume  0.10220E-02 ppm1      8.993 ppm2      4.898 CV     1
 ASSI {  310}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.32718E-02 ppm1      8.992 ppm2      4.763 CV     1
 ASSI {  311}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.800     1.800     1.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.41025E-03 ppm1      8.988 ppm2      4.307 CV     1
 ASSI {  312}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG1 ))
      3.100     1.200     1.200 peak   312 spectrum    1 weight  0.10000E+01 volume  0.89808E-03 ppm1      8.999 ppm2      2.192 CV     1
 OR {  312}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI {  313}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      2.700     2.700     3.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.28792E-02 ppm1      8.994 ppm2      1.943 CV     1
 ASSI {  314}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.900     2.900     3.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.55477E-03 ppm1      8.997 ppm2      1.641 CV     1
 ASSI {  315}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.300     1.400     1.400 peak   315 spectrum    1 weight  0.10000E+01 volume  0.83289E-03 ppm1      9.000 ppm2      1.429 CV     1
 ASSI {  316}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      3.000     1.100     1.100 peak   316 spectrum    1 weight  0.10000E+01 volume  0.13271E-02 ppm1      9.004 ppm2      1.278 CV     1
 ASSI {  317}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
      2.700     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.23218E-02 ppm1      8.991 ppm2      0.864 CV     1
 OR {  317}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI {  319}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.39062E-02 ppm1      8.027 ppm2      4.211 CV     1
 ASSI {  320}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.11993E-01 ppm1      8.023 ppm2      1.656 CV     1
 OR {  320}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  321}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      2.600     2.600     3.400 peak   321 spectrum    1 weight  0.10000E+01 volume  0.40348E-02 ppm1      8.024 ppm2      1.375 CV     1
 ASSI {  322}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HD1%)
      3.300     3.300     2.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.11454E-02 ppm1      8.025 ppm2      0.896 CV     1
 ASSI {  324}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HD% )
      3.200     1.300     1.300 peak   324 spectrum    1 weight  0.10000E+01 volume  0.67223E-03 ppm1      8.173 ppm2      6.841 CV     1
 ASSI {  325}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HB  ))
      3.200     1.300     1.300 peak   325 spectrum    1 weight  0.10000E+01 volume  0.95146E-03 ppm1      8.174 ppm2      4.276 CV     1
 ASSI {  326}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.400     1.400     1.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.92934E-03 ppm1      8.174 ppm2      3.123 CV     1
 ASSI {  328}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.600     1.600     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.41232E-03 ppm1      8.176 ppm2      2.105 CV     1
 ASSI {  330}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HG11))
      3.500     1.600     1.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.43230E-03 ppm1      8.169 ppm2      1.241 CV     1
 ASSI {  331}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.000     3.000     3.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.20974E-02 ppm1      8.174 ppm2      0.842 CV     1
 ASSI {  332}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HD2%)
      3.300     1.300     1.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.11082E-02 ppm1      8.074 ppm2      0.872 CV     1
 OR {  332}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HD1%)
 ASSI {  333}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HB% )
      3.100     1.200     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.20785E-02 ppm1      8.063 ppm2      1.399 CV     1
 ASSI {  334}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.600     1.600     1.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.62103E-03 ppm1      8.067 ppm2      3.879 CV     1
 OR {  334}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  335}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.63577E-02 ppm1      8.066 ppm2      4.288 CV     1
 ASSI {  336}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.68835E-02 ppm1      7.894 ppm2      4.590 CV     1
 ASSI {  337}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.800     0.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.33758E-02 ppm1      7.897 ppm2      4.007 CV     1
 ASSI {  338}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.300     1.300     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.14600E-02 ppm1      7.896 ppm2      2.637 CV     1
 OR {  338}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  339}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.200     0.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.85381E-02 ppm1      7.896 ppm2      2.072 CV     1
 ASSI {  340}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      2.300     2.300     3.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.64354E-02 ppm1      7.896 ppm2      0.904 CV     1
 ASSI {  342}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.200     0.600     0.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.83560E-02 ppm1      8.343 ppm2      4.001 CV     1
 OR {  342}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
 ASSI {  343}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD2 ))
      4.100     2.100     1.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.57396E-03 ppm1      8.340 ppm2      3.162 CV     1
 OR {  343}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  344}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.000     1.100     1.100 peak   344 spectrum    1 weight  0.10000E+01 volume  0.14663E-02 ppm1      8.345 ppm2      1.876 CV     1
 OR {  344}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  345}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
      2.500     0.800     0.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.36993E-02 ppm1      8.343 ppm2      1.565 CV     1
 OR {  345}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
 ASSI {  346}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 48   and name HD2 ))
      3.400     3.400     2.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.93778E-03 ppm1      8.340 ppm2      1.050 CV     1
 OR {  346}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  347}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.500     1.600     1.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.47959E-03 ppm1      8.650 ppm2      5.144 CV     1
 ASSI {  349}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.400     1.500     1.500 peak   349 spectrum    1 weight  0.10000E+01 volume  0.82725E-03 ppm1      8.652 ppm2      1.492 CV     1
 ASSI {  350}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG12))
      3.600     1.600     1.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.11818E-02 ppm1      8.644 ppm2      0.713 CV     1
 OR {  350}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG11))
 ASSI {  351}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      3.300     3.300     2.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.17356E-02 ppm1      8.647 ppm2      0.570 CV     1
 ASSI {  353}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.43250E-03 ppm1      7.105 ppm2      8.657 CV     1
 ASSI {  354}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.29443E-02 ppm1      7.108 ppm2      8.088 CV     1
 ASSI {  355}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 23   and name HE21))
      3.600     1.600     1.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.49132E-03 ppm1      7.112 ppm2      6.800 CV     1
 ASSI {  357}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   357 spectrum    1 weight  0.10000E+01 volume  0.94893E-03 ppm1      7.108 ppm2      4.989 CV     1
 ASSI {  358}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.300     1.300 peak   358 spectrum    1 weight  0.10000E+01 volume  0.98525E-03 ppm1      7.110 ppm2      4.820 CV     1
 ASSI {  359}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      4.100     2.100     1.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.36464E-03 ppm1      7.105 ppm2      4.005 CV     1
 OR {  359}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
 ASSI {  360}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.200     2.200     1.800 peak   360 spectrum    1 weight  0.10000E+01 volume  0.31780E-03 ppm1      7.110 ppm2      2.718 CV     1
 ASSI {  361}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      2.700     0.900     0.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.17435E-02 ppm1      7.104 ppm2      2.140 CV     1
 ASSI {  362}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.900     1.900     1.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.39769E-03 ppm1      7.115 ppm2      1.935 CV     1
 OR {  362}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 OR {  362}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
 ASSI {  364}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      3.700     1.700     1.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.68910E-03 ppm1      7.114 ppm2      1.540 CV     1
 ASSI {  365}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      3.300     1.300     1.300 peak   365 spectrum    1 weight  0.10000E+01 volume  0.82916E-03 ppm1      7.111 ppm2      1.373 CV     1
 OR {  365}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  366}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      2.900     2.900     3.100 peak   366 spectrum    1 weight  0.10000E+01 volume  0.29570E-02 ppm1      7.107 ppm2      0.709 CV     1
 ASSI {  368}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.100     0.600     0.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.84488E-02 ppm1      8.261 ppm2      4.616 CV     1
 ASSI {  370}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.24536E-02 ppm1      8.298 ppm2      4.347 CV     1
 ASSI {  371}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     2.700     3.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.28477E-02 ppm1      8.261 ppm2      4.133 CV     1
 ASSI {  373}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.500     0.800     0.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.44558E-02 ppm1      8.298 ppm2      3.853 CV     1
 ASSI {  375}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.600     3.600     2.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.79226E-03 ppm1      8.262 ppm2      1.814 CV     1
 OR {  375}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  376}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      3.200     1.300     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.14535E-02 ppm1      8.293 ppm2      0.894 CV     1
 ASSI {  377}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.100     2.100     3.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.16422E-01 ppm1      8.261 ppm2      2.796 CV     1
 ASSI {  378}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     2.700     3.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.98081E-03 ppm1      8.261 ppm2      1.995 CV     1
 ASSI {  379}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      2.800     1.000     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.18856E-02 ppm1      8.295 ppm2      1.867 CV     1
 ASSI {  381}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.300     0.700     0.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.64163E-02 ppm1      8.356 ppm2      4.594 CV     1
 ASSI {  382}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     2.300     3.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.69838E-02 ppm1      8.357 ppm2      4.115 CV     1
 ASSI {  383}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     2.700     3.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.95026E-03 ppm1      8.357 ppm2      3.911 CV     1
 ASSI {  384}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.000     0.500     0.500 peak   384 spectrum    1 weight  0.10000E+01 volume  0.13686E-01 ppm1      8.356 ppm2      2.777 CV     1
 ASSI {  385}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.400     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.15490E-02 ppm1      8.357 ppm2      2.235 CV     1
 OR {  385}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI {  386}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.300     0.600     0.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.76166E-02 ppm1      8.357 ppm2      1.998 CV     1
 OR {  386}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {  387}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      2.900     2.900     3.100 peak   387 spectrum    1 weight  0.10000E+01 volume  0.60571E-03 ppm1      8.352 ppm2      1.732 CV     1
 ASSI {  388}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.800     1.800     1.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.59900E-03 ppm1      8.354 ppm2      0.801 CV     1
 ASSI {  389}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.11473E-02 ppm1      8.273 ppm2      4.255 CV     1
 ASSI {  390}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      2.600     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.37355E-02 ppm1      8.273 ppm2      3.899 CV     1
 OR {  390}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
 ASSI {  391}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.100     1.100 peak   391 spectrum    1 weight  0.10000E+01 volume  0.22713E-02 ppm1      8.275 ppm2      3.104 CV     1
 ASSI {  392}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.600     0.900     0.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.30098E-02 ppm1      8.506 ppm2      4.472 CV     1
 ASSI {  393}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.29575E-02 ppm1      8.502 ppm2      3.868 CV     1
 OR {  393}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI {  395}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   395 spectrum    1 weight  0.10000E+01 volume  0.12706E-02 ppm1      7.704 ppm2      4.465 CV     1
 ASSI {  396}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak   396 spectrum    1 weight  0.10000E+01 volume  0.11033E-02 ppm1      7.705 ppm2      4.130 CV     1
 ASSI {  397}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.700     3.700     2.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.82095E-03 ppm1      7.706 ppm2      3.965 CV     1
 ASSI {  398}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.000     1.100     1.100 peak   398 spectrum    1 weight  0.10000E+01 volume  0.23100E-02 ppm1      7.708 ppm2      1.524 CV     1
 ASSI {  399}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HB% )
      2.500     0.800     0.800 peak   399 spectrum    1 weight  0.10000E+01 volume  0.35726E-02 ppm1      7.708 ppm2      1.344 CV     1
 ASSI {  400}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      3.300     1.400     1.400 peak   400 spectrum    1 weight  0.10000E+01 volume  0.92388E-03 ppm1      7.711 ppm2      1.123 CV     1
 ASSI {  402}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      2.800     2.800     3.200 peak   402 spectrum    1 weight  0.10000E+01 volume  0.22665E-02 ppm1      7.712 ppm2      0.635 CV     1
 ASSI {  403}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.51605E-03 ppm1      8.588 ppm2      9.486 CV     1
 ASSI {  404}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.500     1.500 peak   404 spectrum    1 weight  0.10000E+01 volume  0.94791E-03 ppm1      8.588 ppm2      8.955 CV     1
 ASSI {  405}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      8.581 ppm2      5.481 CV     1
 ASSI {  406}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.100     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.89360E-02 ppm1      8.581 ppm2      4.817 CV     1
 ASSI {  407}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.37059E-02 ppm1      8.581 ppm2      3.685 CV     1
 OR {  407}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  408}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.300     3.300     2.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.23935E-02 ppm1      8.582 ppm2      1.455 CV     1
 ASSI {  409}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.800     0.900     0.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.21318E-02 ppm1      8.579 ppm2      1.293 CV     1
 ASSI {  410}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.200     3.200     2.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.14907E-02 ppm1      8.589 ppm2      0.873 CV     1
 ASSI {  412}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.900     0.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.19467E-02 ppm1      8.976 ppm2      4.236 CV     1
 ASSI {  413}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.16021E-02 ppm1      8.973 ppm2      3.379 CV     1
 ASSI {  414}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.500     1.500     1.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.57715E-03 ppm1      8.964 ppm2      3.028 CV     1
 ASSI {  415}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.900     1.900     1.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.50846E-03 ppm1      8.973 ppm2      2.374 CV     1
 ASSI {  416}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.600     3.600     2.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.83911E-03 ppm1      8.974 ppm2      0.904 CV     1
 ASSI {  417}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.700     3.700     2.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      8.971 ppm2      0.628 CV     1
 ASSI {  418}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.900     1.900     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.27760E-03 ppm1      8.970 ppm2      1.641 CV     1
 ASSI {  419}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.200     0.600     0.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.91793E-02 ppm1      8.303 ppm2      4.430 CV     1
 ASSI {  420}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.600     0.800     0.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.49429E-02 ppm1      8.306 ppm2      3.889 CV     1
 ASSI {  421}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.500     0.800     0.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.37700E-02 ppm1      8.167 ppm2      4.429 CV     1
 ASSI {  422}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.25568E-02 ppm1      8.166 ppm2      3.888 CV     1
 OR {  422}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  423}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     3.100     2.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.52546E-03 ppm1      7.895 ppm2      8.976 CV     1
 ASSI {  424}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.500     0.800     0.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.31103E-02 ppm1      7.904 ppm2      4.879 CV     1
 ASSI {  425}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.11492E-02 ppm1      7.907 ppm2      3.374 CV     1
 ASSI {  426}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.000     1.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.22827E-02 ppm1      7.902 ppm2      1.943 CV     1
 OR {  426}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  427}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.35573E-02 ppm1      7.902 ppm2      1.635 CV     1
 ASSI {  428}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      2.600     0.900     0.900 peak   428 spectrum    1 weight  0.10000E+01 volume  0.22602E-02 ppm1      7.900 ppm2      1.394 CV     1
 OR {  428}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  429}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.000     3.000     3.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.26843E-02 ppm1      7.901 ppm2      0.928 CV     1
 ASSI {  430}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.300     3.300     2.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.12375E-02 ppm1      7.904 ppm2      0.632 CV     1
 ASSI {  431}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HD2 ))
      2.600     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.28920E-02 ppm1      7.292 ppm2      3.163 CV     1
 OR {  431}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  432}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.300     1.400     1.400 peak   432 spectrum    1 weight  0.10000E+01 volume  0.82330E-03 ppm1      7.291 ppm2      1.815 CV     1
 OR {  432}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  433}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.300     1.300     1.300 peak   433 spectrum    1 weight  0.10000E+01 volume  0.72805E-03 ppm1      7.289 ppm2      1.622 CV     1
 OR {  433}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  435}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.100     0.600     0.600 peak   435 spectrum    1 weight  0.10000E+01 volume  0.10981E-01 ppm1      8.135 ppm2      4.338 CV     1
 ASSI {  436}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.400     0.700     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.56787E-02 ppm1      8.134 ppm2      3.886 CV     1
 OR {  436}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  437}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.700     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.26371E-02 ppm1      8.136 ppm2      1.660 CV     1
 OR {  437}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  441}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.500     1.600     1.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.85936E-03 ppm1      9.026 ppm2      8.346 CV     1
 ASSI {  442}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
      3.000     1.100     1.100 peak   442 spectrum    1 weight  0.10000E+01 volume  0.14572E-02 ppm1      9.031 ppm2      7.320 CV     1
 ASSI {  443}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak   443 spectrum    1 weight  0.10000E+01 volume  0.94546E-03 ppm1      9.026 ppm2      4.939 CV     1
 ASSI {  444}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.22592E-02 ppm1      9.028 ppm2      4.762 CV     1
 ASSI {  445}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.600     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.56410E-03 ppm1      9.028 ppm2      4.586 CV     1
 ASSI {  446}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.200     1.300     1.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.10418E-02 ppm1      9.037 ppm2      3.177 CV     1
 OR {  446}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  447}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak   447 spectrum    1 weight  0.10000E+01 volume  0.10523E-02 ppm1      9.037 ppm2      1.880 CV     1
 OR {  447}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  448}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.100     1.200     1.200 peak   448 spectrum    1 weight  0.10000E+01 volume  0.13006E-02 ppm1      9.035 ppm2      1.574 CV     1
 OR {  448}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  449}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      7.752 ppm2      9.004 CV     1
 ASSI {  450}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.16426E-02 ppm1      7.752 ppm2      8.673 CV     1
 ASSI {  452}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     2.800     3.200 peak   452 spectrum    1 weight  0.10000E+01 volume  0.21730E-02 ppm1      7.746 ppm2      4.813 CV     1
 ASSI {  453}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.23096E-02 ppm1      7.749 ppm2      4.524 CV     1
 ASSI {  454}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.69266E-03 ppm1      7.754 ppm2      4.315 CV     1
 ASSI {  455}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      3.500     1.500     1.500 peak   455 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      7.750 ppm2      3.978 CV     1
 ASSI {  456}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      3.700     1.700     1.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.12177E-02 ppm1      7.749 ppm2      3.569 CV     1
 ASSI {  457}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.600     1.600     1.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.80447E-03 ppm1      7.741 ppm2      2.908 CV     1
 ASSI {  458}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.700     1.700     1.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.65260E-03 ppm1      7.750 ppm2      2.629 CV     1
 ASSI {  459}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.000     1.200     1.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.22374E-02 ppm1      7.749 ppm2      2.209 CV     1
 OR {  459}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG1 ))
 ASSI {  460}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.400     0.700     0.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.40193E-02 ppm1      7.747 ppm2      1.961 CV     1
 OR {  460}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  462}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.44558E-02 ppm1      8.120 ppm2      4.285 CV     1
 ASSI {  463}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.27809E-02 ppm1      8.121 ppm2      3.883 CV     1
 OR {  463}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  465}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.200     0.600     0.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.78640E-02 ppm1      8.847 ppm2      4.598 CV     1
 ASSI {  466}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      2.500     0.800     0.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.36653E-02 ppm1      8.847 ppm2      3.973 CV     1
 ASSI {  467}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      2.500     0.800     0.800 peak   467 spectrum    1 weight  0.10000E+01 volume  0.57564E-02 ppm1      8.841 ppm2      3.562 CV     1
 ASSI {  468}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.400     1.400 peak   468 spectrum    1 weight  0.10000E+01 volume  0.12490E-02 ppm1      8.846 ppm2      1.989 CV     1
 ASSI {  469}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.900     2.900     3.100 peak   469 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      8.844 ppm2      1.877 CV     1
 ASSI {  470}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     3.000     3.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.31532E-02 ppm1      7.571 ppm2      4.737 CV     1
 ASSI {  471}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HD1 ))
      3.000     1.100     1.100 peak   471 spectrum    1 weight  0.10000E+01 volume  0.13084E-02 ppm1      7.568 ppm2      3.178 CV     1
 OR {  471}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {  472}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.100     1.200     1.200 peak   472 spectrum    1 weight  0.10000E+01 volume  0.10812E-02 ppm1      7.565 ppm2      1.864 CV     1
 OR {  472}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  473}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HG2 ))
      2.900     1.100     1.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.15200E-02 ppm1      7.567 ppm2      1.560 CV     1
 OR {  473}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HG1 ))
 ASSI {  474}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 6    and name HG11))
      2.700     2.700     3.300 peak   474 spectrum    1 weight  0.10000E+01 volume  0.82450E-03 ppm1      7.563 ppm2      1.368 CV     1
 OR {  474}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 6    and name HG12))
 ASSI {  477}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      2.900     1.000     1.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.15808E-02 ppm1      8.913 ppm2      3.999 CV     1
 OR {  477}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
 ASSI {  479}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.19961E-02 ppm1      7.735 ppm2      8.151 CV     1
 ASSI {  480}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.33796E-02 ppm1      7.735 ppm2      7.959 CV     1
 ASSI {  481}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     2.500     3.500 peak   481 spectrum    1 weight  0.10000E+01 volume  0.46427E-02 ppm1      7.735 ppm2      4.162 CV     1
 ASSI {  482}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.600     1.700     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.33589E-03 ppm1      7.732 ppm2      3.911 CV     1
 ASSI {  483}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.47546E-03 ppm1      7.734 ppm2      2.027 CV     1
 ASSI {  484}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.700     1.700     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.30465E-03 ppm1      7.741 ppm2      1.879 CV     1
 OR {  484}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  485}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      4.500     2.600     1.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.26527E-03 ppm1      7.732 ppm2      1.721 CV     1
 ASSI {  486}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      3.300     1.300     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.13627E-02 ppm1      7.731 ppm2      1.465 CV     1
 ASSI {  487}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HG11))
      3.100     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.22100E-02 ppm1      7.732 ppm2      1.204 CV     1
 ASSI {  488}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.300     1.400     1.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.14675E-02 ppm1      7.732 ppm2      0.844 CV     1
 ASSI {  490}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HD21))
      1.800     0.400     0.400 peak   490 spectrum    1 weight  0.10000E+01 volume  0.17066E-01 ppm1      6.975 ppm2      7.616 CV     1
 ASSI {  491}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.35195E-03 ppm1      7.608 ppm2      4.261 CV     1
 ASSI {  492}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB2 ))
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.44142E-03 ppm1      7.616 ppm2      3.288 CV     1
 ASSI {  493}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB1 ))
      3.000     1.200     1.200 peak   493 spectrum    1 weight  0.10000E+01 volume  0.91211E-03 ppm1      7.616 ppm2      3.046 CV     1
 ASSI {  495}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
      4.300     2.400     1.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.33500E-03 ppm1      6.969 ppm2      4.218 CV     1
 ASSI {  496}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB2 ))
      3.200     1.300     1.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.18056E-02 ppm1      6.974 ppm2      3.248 CV     1
 ASSI {  497}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB1 ))
      3.500     1.600     1.600 peak   497 spectrum    1 weight  0.10000E+01 volume  0.12293E-02 ppm1      6.964 ppm2      3.025 CV     1
 ASSI {  501}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.20719E-02 ppm1      8.083 ppm2      4.848 CV     1
 ASSI {  502}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak   502 spectrum    1 weight  0.10000E+01 volume  0.14557E-02 ppm1      8.087 ppm2      4.299 CV     1
 ASSI {  503}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      2.900     1.100     1.100 peak   503 spectrum    1 weight  0.10000E+01 volume  0.15111E-02 ppm1      8.086 ppm2      4.020 CV     1
 OR {  503}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
 ASSI {  504}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     1.000     1.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      8.086 ppm2      2.712 CV     1
 ASSI {  505}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.900     1.100     1.100 peak   505 spectrum    1 weight  0.10000E+01 volume  0.16609E-02 ppm1      8.089 ppm2      2.540 CV     1
 ASSI {  506}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      4.100     2.100     1.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.49269E-03 ppm1      8.083 ppm2      2.126 CV     1
 ASSI {  507}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      2.500     2.500     3.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.43983E-02 ppm1      8.087 ppm2      1.379 CV     1
 ASSI {  510}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HE21))
      1.500     0.300     0.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.48763E-01 ppm1      6.737 ppm2      7.604 CV     1
 ASSI {  511}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 39   and name HA  ))
      3.900     1.900     1.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.73027E-03 ppm1      7.593 ppm2      4.761 CV     1
 ASSI {  512}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 17   and name HE1 ))
      3.200     1.300     1.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.89839E-03 ppm1      7.596 ppm2      2.938 CV     1
 OR {  512}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 17   and name HE2 ))
 ASSI {  513}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 39   and name HG2 ))
      2.300     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.43836E-02 ppm1      7.597 ppm2      2.208 CV     1
 OR {  513}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 39   and name HG1 ))
 ASSI {  514}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 39   and name HB1 ))
      3.100     1.200     1.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      7.598 ppm2      1.969 CV     1
 OR {  514}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  515}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 17   and name HD2 ))
      3.800     1.800     1.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.62094E-03 ppm1      7.603 ppm2      1.623 CV     1
 OR {  515}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  516}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 41   and name HG2 ))
      3.700     1.700     1.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.65904E-03 ppm1      7.597 ppm2      1.324 CV     1
 ASSI {  517}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 15   and name HB1 ))
      3.400     1.400     1.400 peak   517 spectrum    1 weight  0.10000E+01 volume  0.59607E-03 ppm1      6.738 ppm2      3.679 CV     1
 OR {  517}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  518}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 17   and name HE1 ))
      3.500     1.500     1.500 peak   518 spectrum    1 weight  0.10000E+01 volume  0.81873E-03 ppm1      6.738 ppm2      2.942 CV     1
 OR {  518}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 17   and name HE2 ))
 ASSI {  519}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HG2 ))
      3.100     1.200     1.200 peak   519 spectrum    1 weight  0.10000E+01 volume  0.30154E-02 ppm1      6.738 ppm2      2.207 CV     1
 OR {  519}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HG1 ))
 ASSI {  520}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HB1 ))
      3.700     1.700     1.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.63151E-03 ppm1      6.736 ppm2      1.965 CV     1
 OR {  520}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  521}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 17   and name HD2 ))
      4.100     2.100     1.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.37656E-03 ppm1      6.737 ppm2      1.630 CV     1
 OR {  521}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  522}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
      4.000     2.000     2.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.47853E-03 ppm1      6.739 ppm2      1.388 CV     1
 OR {  522}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  523}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.400     1.400 peak   523 spectrum    1 weight  0.10000E+01 volume  0.56969E-03 ppm1      7.909 ppm2      8.403 CV     1
 ASSI {  524}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.75465E-03 ppm1      7.905 ppm2      7.335 CV     1
 ASSI {  525}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     2.600     3.400 peak   525 spectrum    1 weight  0.10000E+01 volume  0.45597E-02 ppm1      7.909 ppm2      4.733 CV     1
 ASSI {  526}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.10666E-02 ppm1      7.907 ppm2      4.469 CV     1
 ASSI {  527}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.600     1.600     1.600 peak   527 spectrum    1 weight  0.10000E+01 volume  0.91158E-03 ppm1      7.912 ppm2      3.389 CV     1
 ASSI {  528}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.000     1.100     1.100 peak   528 spectrum    1 weight  0.10000E+01 volume  0.88809E-03 ppm1      7.914 ppm2      3.079 CV     1
 ASSI {  529}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.300     1.400     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.62463E-03 ppm1      7.910 ppm2      1.471 CV     1
 OR {  529}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI {  530}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.600     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.32875E-02 ppm1      8.402 ppm2      4.441 CV     1
 ASSI {  531}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      2.200     0.600     0.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.95359E-02 ppm1      8.403 ppm2      3.902 CV     1
 OR {  531}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
 ASSI {  532}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.700     0.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.68608E-02 ppm1      8.527 ppm2      4.279 CV     1
 ASSI {  533}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.300     0.600     0.600 peak   533 spectrum    1 weight  0.10000E+01 volume  0.76233E-02 ppm1      8.527 ppm2      4.028 CV     1
 OR {  533}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
 ASSI {  534}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      2.800     1.000     1.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.25068E-02 ppm1      8.528 ppm2      2.002 CV     1
 OR {  534}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  537}
   (( segid "    " and resid 23   and name HE21))
   (( segid "    " and resid 23   and name HG2 ))
      3.600     1.600     1.600 peak   537 spectrum    1 weight  0.10000E+01 volume  0.33217E-03 ppm1      6.787 ppm2      2.111 CV     1
 OR {  537}
   (( segid "    " and resid 23   and name HE21))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI {  538}
   (( segid "    " and resid 23   and name HE21))
   (( segid "    " and resid 23   and name HB2 ))
      4.100     2.100     1.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.29183E-03 ppm1      6.798 ppm2      1.438 CV     1
 OR {  538}
   (( segid "    " and resid 23   and name HE21))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  539}
   (( segid "    " and resid 23   and name HE22))
   (( segid "    " and resid 23   and name HE21))
      2.200     0.600     0.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.38371E-02 ppm1      6.393 ppm2      6.804 CV     1
 ASSI {  540}
   (( segid "    " and resid 23   and name HE22))
   (( segid "    " and resid 23   and name HG2 ))
      4.100     2.100     1.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.56126E-03 ppm1      6.391 ppm2      2.095 CV     1
 OR {  540}
   (( segid "    " and resid 23   and name HE22))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI {  541}
   (( segid "    " and resid 23   and name HE22))
   (( segid "    " and resid 23   and name HB2 ))
      4.000     2.000     2.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.49904E-03 ppm1      6.398 ppm2      1.463 CV     1
 OR {  541}
   (( segid "    " and resid 23   and name HE22))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  542}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA2 ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.16536E-02 ppm1      9.496 ppm2      5.135 CV     1
 ASSI {  543}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA1 ))
      3.400     1.500     1.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.44011E-03 ppm1      9.500 ppm2      3.378 CV     1
 ASSI {  544}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      3.400     1.500     1.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.75012E-03 ppm1      9.495 ppm2      1.563 CV     1
 ASSI {  546}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.900     1.900     1.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.96340E-03 ppm1      9.502 ppm2      1.085 CV     1
 ASSI {  547}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.500     1.500     1.500 peak   547 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      9.501 ppm2      0.613 CV     1
 ASSI {  548}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      2.800     2.800     3.200 peak   548 spectrum    1 weight  0.10000E+01 volume  0.20539E-02 ppm1      9.496 ppm2      0.698 CV     1
 ASSI {  549}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.600     1.600     1.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.45224E-03 ppm1      9.505 ppm2      5.006 CV     1
 ASSI {  550}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     1.700     1.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.30080E-03 ppm1      8.734 ppm2      4.931 CV     1
 ASSI {  551}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.45215E-03 ppm1      7.705 ppm2      4.302 CV     1
 ASSI {  552}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.100     2.100     1.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.24729E-03 ppm1      7.708 ppm2      4.928 CV     1
 ASSI {  553}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.300     1.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.34279E-03 ppm1      7.705 ppm2      5.134 CV     1
 ASSI {  554}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
      3.800     1.800     1.800 peak   554 spectrum    1 weight  0.10000E+01 volume  0.27496E-03 ppm1      9.070 ppm2      1.292 CV     1
 OR {  554}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG11))
 ASSI {  555}
   (( segid "    " and resid 23   and name HE21))
   (( segid "    " and resid 26   and name HA  ))
      3.900     1.900     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.40857E-03 ppm1      6.786 ppm2      4.302 CV     1
 ASSI {  556}
   (( segid "    " and resid 23   and name HE22))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.500     1.500 peak   556 spectrum    1 weight  0.10000E+01 volume  0.39609E-03 ppm1      6.391 ppm2      4.285 CV     1
 ASSI {  557}
   (( segid "    " and resid 23   and name HE22))
   (( segid "    " and resid 23   and name HA  ))
      4.400     2.400     1.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.22473E-03 ppm1      6.390 ppm2      4.747 CV     1
 ASSI {  559}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.33919E-03 ppm1      7.892 ppm2      9.251 CV     1
 ASSI {  560}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.100     1.100 peak   560 spectrum    1 weight  0.10000E+01 volume  0.14203E-02 ppm1      8.178 ppm2      4.370 CV     1
 ASSI {  567}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HE1 ))
      3.900     1.900     1.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.42117E-03 ppm1      7.738 ppm2      8.397 CV     1
 ASSI {  568}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 18   and name HN  ))
      2.600     2.600     3.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.11463E-02 ppm1      6.969 ppm2      7.912 CV     1
 ASSI {  569}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     3.100     2.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.38508E-03 ppm1      9.488 ppm2      9.729 CV     1
 ASSI {  571}
   (( segid "    " and resid 65   and name HD21))
   (  segid "    " and resid 12   and name HD1%)
      2.600     0.800     0.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.11134E-02 ppm1      7.533 ppm2      0.801 CV     1
 ASSI {  572}
   (( segid "    " and resid 65   and name HD22))
   (  segid "    " and resid 12   and name HD1%)
      2.400     2.400     3.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.17127E-02 ppm1      6.854 ppm2      0.799 CV     1
 ASSI {  573}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 64   and name HB1 ))
      3.600     3.600     2.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.44375E-03 ppm1      7.532 ppm2      2.023 CV     1
 ASSI {  574}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.57276E-02 ppm1      7.536 ppm2      2.782 CV     1
 OR {  574}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {  575}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 65   and name HB2 ))
      2.700     0.900     0.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.52937E-02 ppm1      6.856 ppm2      2.785 CV     1
 OR {  575}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {  576}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.50948E-03 ppm1      7.533 ppm2      4.106 CV     1
 ASSI {  577}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 62   and name HA  ))
      3.900     3.900     2.100 peak   577 spectrum    1 weight  0.10000E+01 volume  0.73102E-03 ppm1      6.854 ppm2      4.092 CV     1
 ASSI {  580}
   (( segid "    " and resid 66   and name HD22))
   (( segid "    " and resid 62   and name HG1 ))
      3.100     3.100     2.900 peak   580 spectrum    1 weight  0.10000E+01 volume  0.37021E-03 ppm1      6.873 ppm2      2.191 CV     1
 OR {  580}
   (( segid "    " and resid 66   and name HD22))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  583}
   (( segid "    " and resid 66   and name HD22))
   (( segid "    " and resid 63   and name HA  ))
      2.600     2.600     3.400 peak   583 spectrum    1 weight  0.10000E+01 volume  0.11292E-02 ppm1      6.873 ppm2      4.130 CV     1
 ASSI {  584}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.16536E-02 ppm1      9.496 ppm2      5.145 CV     1
 ASSI {  585}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.100     2.100     3.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.13196E-01 ppm1      7.992 ppm2      4.217 CV     1
 ASSI {  587}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.99733E-03 ppm1      8.177 ppm2      8.656 CV     1
 ASSI {  588}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.600     1.600     1.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.43936E-03 ppm1      8.645 ppm2      3.372 CV     1
 OR {  588}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  589}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.15768E-02 ppm1      9.328 ppm2      5.122 CV     1
 ASSI {  590}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.41777E-02 ppm1      9.742 ppm2      4.955 CV     1
 ASSI {  591}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     2.900     3.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.20593E-02 ppm1      8.828 ppm2      4.968 CV     1
 ASSI {  592}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.33316E-03 ppm1      8.926 ppm2      7.699 CV     1
 ASSI {  593}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.14884E-02 ppm1      9.236 ppm2      4.918 CV     1
 ASSI {  594}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.62050E-03 ppm1      8.386 ppm2      7.726 CV     1
 ASSI {  595}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.34633E-03 ppm1      8.390 ppm2      8.870 CV     1
 ASSI {  596}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.76015E-02 ppm1      8.389 ppm2      4.477 CV     1
 ASSI {  597}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.15005E-02 ppm1      8.908 ppm2      4.294 CV     1
 ASSI {  598}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     2.900     3.100 peak   598 spectrum    1 weight  0.10000E+01 volume  0.33796E-02 ppm1      7.733 ppm2      7.954 CV     1
 ASSI {  599}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.100     2.100     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.33589E-03 ppm1      7.733 ppm2      3.927 CV     1
 ASSI {  601}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.300     2.300     3.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.84488E-02 ppm1      8.261 ppm2      4.609 CV     1
 ASSI {  603}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.26220E-03 ppm1      8.676 ppm2      8.407 CV     1
 ASSI {  604}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.000     2.000     4.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.54012E-02 ppm1      7.735 ppm2      4.207 CV     1
 ASSI {  605}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HG1 ))
      4.300     2.300     1.700 peak   605 spectrum    1 weight  0.10000E+01 volume  0.25325E-03 ppm1      7.735 ppm2      2.273 CV     1
 OR {  605}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI {  606}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak   606 spectrum    1 weight  0.10000E+01 volume  0.10056E-02 ppm1      8.136 ppm2      7.973 CV     1
 ASSI {  607}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.100     2.100     1.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.35622E-03 ppm1      8.138 ppm2      2.781 CV     1
 ASSI {  608}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      3.500     3.500     2.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.68853E-03 ppm1      8.273 ppm2      2.384 CV     1
 OR {  608}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  609}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.39128E-02 ppm1      8.989 ppm2      4.806 CV     1
 ASSI {  610}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.10640E-02 ppm1      8.789 ppm2      7.697 CV     1
 ASSI {  611}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     2.300     3.700 peak   611 spectrum    1 weight  0.10000E+01 volume  0.80105E-02 ppm1      8.523 ppm2      4.730 CV     1
 ASSI {  612}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HA  ))
      3.900     3.900     2.100 peak   612 spectrum    1 weight  0.10000E+01 volume  0.75394E-03 ppm1      6.740 ppm2      4.763 CV     1
 ASSI {  613}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 36   and name HB1 ))
      4.100     2.100     1.900 peak   613 spectrum    1 weight  0.10000E+01 volume  0.54691E-03 ppm1      6.736 ppm2      1.878 CV     1
 ASSI {  614}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.400     1.400 peak   614 spectrum    1 weight  0.10000E+01 volume  0.88796E-03 ppm1      7.601 ppm2      1.893 CV     1
 ASSI {  615}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.300     2.300     1.700 peak   615 spectrum    1 weight  0.10000E+01 volume  0.35092E-03 ppm1      8.084 ppm2      8.846 CV     1
 ASSI {  618}
   (( segid "    " and resid 66   and name HD22))
   (( segid "    " and resid 50   and name HA  ))
      2.800     2.800     3.200 peak   618 spectrum    1 weight  0.10000E+01 volume  0.70056E-03 ppm1      6.875 ppm2      4.738 CV     1
 ASSI {  619}
   (( segid "    " and resid 66   and name HD22))
   (( segid "    " and resid 66   and name HB2 ))
      3.000     1.100     1.100 peak   619 spectrum    1 weight  0.10000E+01 volume  0.34290E-02 ppm1      6.877 ppm2      2.808 CV     1
 OR {  619}
   (( segid "    " and resid 66   and name HD22))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI {  621}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.400     0.700     0.700 peak   621 spectrum    1 weight  0.10000E+01 volume  0.36467E-02 ppm1      7.747 ppm2      1.893 CV     1
 ASSI {  624}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.27337E-02 ppm1      8.339 ppm2      4.739 CV     1
 ASSI {  625}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.400     3.400     2.600 peak   625 spectrum    1 weight  0.10000E+01 volume  0.88276E-03 ppm1      8.348 ppm2      4.257 CV     1
 ASSI {  626}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.600     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.27170E-02 ppm1      8.171 ppm2      4.161 CV     1
 ASSI {  627}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.500     1.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.79968E-03 ppm1      8.999 ppm2      1.878 CV     1
 ASSI {  628}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.000     3.000     3.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.16597E-02 ppm1      8.989 ppm2      0.673 CV     1
 ASSI {  629}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 48   and name HD2 ))
      3.100     3.100     2.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.40570E-03 ppm1      8.112 ppm2      1.028 CV     1
 ASSI {  630}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      3.400     1.400     1.400 peak   630 spectrum    1 weight  0.10000E+01 volume  0.13262E-02 ppm1      9.423 ppm2      0.666 CV     1
 ASSI {  631}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.700     2.700     3.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.91438E-03 ppm1      8.113 ppm2      2.782 CV     1
 ASSI {  632}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
      4.000     2.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.72778E-03 ppm1      8.110 ppm2      3.197 CV     1
 OR {  632}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  635}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      2.600     2.600     3.400 peak   635 spectrum    1 weight  0.10000E+01 volume  0.38273E-02 ppm1      8.215 ppm2      0.826 CV     1
 ASSI {  636}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.500     2.500     3.500 peak   636 spectrum    1 weight  0.10000E+01 volume  0.34131E-02 ppm1      8.215 ppm2      1.099 CV     1
 ASSI {  637}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      3.100     3.100     2.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.26402E-02 ppm1      8.216 ppm2      1.412 CV     1
 OR {  637}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  638}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      2.700     2.700     3.300 peak   638 spectrum    1 weight  0.10000E+01 volume  0.33587E-02 ppm1      8.215 ppm2      1.349 CV     1
 OR {  638}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI {  639}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.100     0.600     0.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.98143E-02 ppm1      8.215 ppm2      1.760 CV     1
 ASSI {  640}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.100     3.100     2.900 peak   640 spectrum    1 weight  0.10000E+01 volume  0.12158E-02 ppm1      8.217 ppm2      3.268 CV     1
 ASSI {  643}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.300     1.300     1.300 peak   643 spectrum    1 weight  0.10000E+01 volume  0.12988E-02 ppm1      8.211 ppm2      3.020 CV     1
 ASSI {  645}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.300     2.300     3.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.24818E-02 ppm1      8.215 ppm2      3.891 CV     1
 ASSI {  647}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      3.200     1.300     1.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.12096E-02 ppm1      8.796 ppm2      0.610 CV     1
 ASSI {  648}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      2.700     2.700     3.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.24757E-02 ppm1      9.739 ppm2      0.689 CV     1
 ASSI {  649}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.700     1.700     1.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.43249E-03 ppm1      8.896 ppm2      2.259 CV     1
 ASSI {  650}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.700     1.700     1.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.39012E-03 ppm1      8.896 ppm2      1.835 CV     1
 ASSI {  651}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 30   and name HG1%)
      3.000     1.100     1.100 peak   651 spectrum    1 weight  0.10000E+01 volume  0.14134E-02 ppm1      8.895 ppm2      0.701 CV     1
 ASSI {  652}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      4.300     2.300     1.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.27172E-03 ppm1      9.059 ppm2      2.141 CV     1
 ASSI {  653}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.900     1.900     1.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.68573E-03 ppm1      9.070 ppm2      1.462 CV     1
 OR {  653}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  654}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      2.800     1.000     1.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.12665E-02 ppm1      9.071 ppm2      0.622 CV     1
 ASSI {  655}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.900     1.100     1.100 peak   655 spectrum    1 weight  0.10000E+01 volume  0.13778E-02 ppm1      8.663 ppm2      2.516 CV     1
 ASSI {  657}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      4.500     2.500     1.500 peak   657 spectrum    1 weight  0.10000E+01 volume  0.34760E-03 ppm1      8.616 ppm2      1.407 CV     1
 ASSI {  659}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.100     1.200     1.200 peak   659 spectrum    1 weight  0.10000E+01 volume  0.16419E-02 ppm1      8.676 ppm2      1.833 CV     1
 ASSI {  660}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      2.900     2.900     3.100 peak   660 spectrum    1 weight  0.10000E+01 volume  0.32933E-02 ppm1      8.962 ppm2      0.710 CV     1
 ASSI {  661}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.100     3.100     2.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.40606E-03 ppm1      8.960 ppm2      0.530 CV     1
 ASSI {  662}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      3.100     1.200     1.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.11311E-02 ppm1      8.831 ppm2      1.868 CV     1
 ASSI {  664}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.400     1.400 peak   664 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      8.705 ppm2      8.888 CV     1
 ASSI {  665}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   665 spectrum    1 weight  0.10000E+01 volume  0.20705E-02 ppm1      9.330 ppm2      5.064 CV     1
 ASSI {  666}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.300     1.300     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.90901E-03 ppm1      9.472 ppm2      1.385 CV     1
 ASSI {  669}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.900     0.900 peak   669 spectrum    1 weight  0.10000E+01 volume  0.20597E-02 ppm1      8.919 ppm2      4.914 CV     1
 ASSI {  671}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 34   and name HB% )
      2.900     2.900     3.100 peak   671 spectrum    1 weight  0.10000E+01 volume  0.20612E-02 ppm1      8.736 ppm2      1.354 CV     1
 ASSI {  672}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.600     2.600     3.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.25564E-02 ppm1      8.154 ppm2      0.631 CV     1
 ASSI {  673}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      3.200     1.300     1.300 peak   673 spectrum    1 weight  0.10000E+01 volume  0.22833E-02 ppm1      8.151 ppm2      0.586 CV     1
 ASSI {  677}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.30034E-02 ppm1      7.957 ppm2      3.947 CV     1
 ASSI {  680}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     2.500     3.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.47933E-02 ppm1      8.137 ppm2      3.937 CV     1
 ASSI {  682}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      2.800     2.800     3.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.66224E-03 ppm1      8.294 ppm2      1.736 CV     1
 ASSI {  685}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.900     1.100     1.100 peak   685 spectrum    1 weight  0.10000E+01 volume  0.28792E-02 ppm1      8.994 ppm2      1.964 CV     1
 OR {  685}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  686}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.200     3.200     2.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.93312E-03 ppm1      8.655 ppm2      4.747 CV     1
 ASSI {  687}
   (( segid "    " and resid 62   and name HE21))
   (( segid "    " and resid 62   and name HG1 ))
      2.500     0.800     0.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.27977E-02 ppm1      7.211 ppm2      2.158 CV     1
 OR {  687}
   (( segid "    " and resid 62   and name HE21))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  688}
   (( segid "    " and resid 62   and name HE22))
   (( segid "    " and resid 62   and name HG1 ))
      3.100     1.200     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.20386E-02 ppm1      6.785 ppm2      2.159 CV     1
 OR {  688}
   (( segid "    " and resid 62   and name HE22))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  689}
   (( segid "    " and resid 62   and name HE21))
   (( segid "    " and resid 62   and name HB2 ))
      3.700     1.700     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.37736E-03 ppm1      7.213 ppm2      1.929 CV     1
 OR {  689}
   (( segid "    " and resid 62   and name HE21))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  691}
   (( segid "    " and resid 62   and name HE21))
   (  segid "    " and resid 59   and name HD1%)
      3.700     1.700     1.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.46436E-03 ppm1      7.217 ppm2      0.832 CV     1
 ASSI {  692}
   (( segid "    " and resid 62   and name HE22))
   (  segid "    " and resid 59   and name HD1%)
      4.000     2.000     2.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.30368E-03 ppm1      6.785 ppm2      0.842 CV     1
 ASSI {  693}
   (( segid "    " and resid 62   and name HE21))
   (( segid "    " and resid 50   and name HA  ))
      4.100     2.100     1.900 peak   693 spectrum    1 weight  0.10000E+01 volume  0.34030E-03 ppm1      7.206 ppm2      4.756 CV     1
 ASSI {  695}
   (( segid "    " and resid 62   and name HE22))
   (( segid "    " and resid 62   and name HA  ))
      4.500     2.600     1.500 peak   695 spectrum    1 weight  0.10000E+01 volume  0.30061E-03 ppm1      6.775 ppm2      4.094 CV     1
 ASSI {  696}
   (( segid "    " and resid 62   and name HE22))
   (( segid "    " and resid 50   and name HA  ))
      3.700     1.700     1.700 peak   696 spectrum    1 weight  0.10000E+01 volume  0.39073E-03 ppm1      6.789 ppm2      4.721 CV     1
 ASSI {  699}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.400     1.400     1.400 peak   699 spectrum    1 weight  0.10000E+01 volume  0.12282E-02 ppm1      8.525 ppm2      2.379 CV     1
 OR {  699}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
 ASSI {  700}
   (( segid "    " and resid 23   and name HE22))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   700 spectrum    1 weight  0.10000E+01 volume  0.42768E-03 ppm1      6.387 ppm2      7.127 CV     1

!!!! ambig.tbl

 ASSI {   37}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.300     3.300     2.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.66281E-03 ppm1      5.482 ppm2      0.713 CV     1
 OR {   37}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
 OR {   37}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 13   and name HG1%)
 ASSI {  268}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 13   and name HG1%)
      2.100     0.500     0.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.92419E-02 ppm1      1.878 ppm2      0.721 CV     1
 OR {  268}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG1%)
 OR {  268}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG2%)
 OR {  268}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HG11))
 OR {  268}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 28   and name HG2%)
 ASSI {  277}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HG11))
      2.100     0.500     0.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.96478E-02 ppm1      1.509 ppm2      0.761 CV     1
 OR {  277}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HG12))
 OR {  277}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI {  278}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.200     0.600     0.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.60859E-02 ppm1      1.511 ppm2      0.621 CV     1
 OR {  278}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI {  289}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
      3.000     3.000     3.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.24518E-02 ppm1      1.074 ppm2      0.673 CV     1
 OR {  289}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 22   and name HG2%)
 OR {  289}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 22   and name HG2%)
 ASSI {  468}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak   468 spectrum    1 weight  0.10000E+01 volume  0.84835E-03 ppm1      1.977 ppm2      4.893 CV     1
 OR {  468}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  468}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  468}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  580}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.82099E-02 ppm1      0.860 ppm2      4.142 CV     1
 OR {  580}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  580}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  580}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
 OR {  580}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  620}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
      2.000     0.500     0.500 peak   620 spectrum    1 weight  0.10000E+01 volume  0.97264E-02 ppm1      0.842 ppm2      1.874 CV     1
 OR {  620}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  620}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB1 ))
 OR {  620}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HB1 ))
 OR {  620}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  621}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
      2.000     0.500     0.500 peak   621 spectrum    1 weight  0.10000E+01 volume  0.11003E-01 ppm1      0.784 ppm2      1.867 CV     1
 OR {  621}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HB  ))
 OR {  621}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  621}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 44   and name HB  ))
 ASSI {  622}
   (  segid "    " and resid 30   and name HG1%)
   (( segid "    " and resid 30   and name HB  ))
      2.000     0.500     0.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.11605E-01 ppm1      0.737 ppm2      1.866 CV     1
 OR {  622}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HB  ))
 OR {  622}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 44   and name HB  ))
 OR {  622}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
 ASSI {  238}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.400     0.700     0.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.47315E-02 ppm1      2.350 ppm2      1.992 CV     1
 OR {  238}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HB1 ))
 OR {  238}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HB1 ))
 OR {  238}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HB1 ))
 OR {  238}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HB1 ))
 OR {  238}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HB1 ))
 OR {  238}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  268}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HG11))
      2.000     0.500     0.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.16823E-01 ppm1      1.509 ppm2      0.707 CV     1
 OR {  268}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HG12))
 OR {  268}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
 OR {  268}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 44   and name HG11))
 OR {  268}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI {  269}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.200     0.600     0.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.82121E-02 ppm1      1.503 ppm2      0.629 CV     1
 OR {  269}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
 OR {  269}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  270}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      2.000     2.000     4.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.14720E-01 ppm1      1.509 ppm2      0.850 CV     1
 OR {  270}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
 OR {  270}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  396}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 58   and name HD% )
      2.700     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.27163E-02 ppm1      4.170 ppm2      6.837 CV     1
 OR {  396}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD% )
 OR {  396}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HD% )
 ASSI {  408}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HE% )
      3.000     3.000     3.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.69572E-03 ppm1      1.495 ppm2      6.675 CV     1
 OR {  408}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 OR {  408}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 58   and name HE% )
 ASSI {  454}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
      3.300     1.400     1.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.78156E-03 ppm1      0.847 ppm2      4.818 CV     1
 OR {  454}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  454}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  488}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.400     0.700     0.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.47009E-02 ppm1      1.990 ppm2      2.289 CV     1
 OR {  488}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  488}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  488}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  488}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  488}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  489}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.200     0.600     0.600 peak   489 spectrum    1 weight  0.10000E+01 volume  0.69634E-02 ppm1      1.972 ppm2      2.220 CV     1
 OR {  489}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  489}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  489}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  489}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HG1 ))
 OR {  489}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  575}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.000     2.000     4.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.39347E-02 ppm1      2.200 ppm2      4.348 CV     1
 OR {  575}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  575}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  575}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  575}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  575}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  828}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.700     2.700     3.300 peak   828 spectrum    1 weight  0.10000E+01 volume  0.40462E-02 ppm1      4.141 ppm2      0.902 CV     1
 OR {  828}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
 OR {  828}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    HIS  -9           H        HIS  -9  12.236  26.097   0.456
    2    HA   HIS  -9           HA       HIS  -9  14.250  24.404   1.823
    3   1HB   HIS  -9          2HB       HIS  -9  13.845  27.412   1.810
    4   2HB   HIS  -9          1HB       HIS  -9  15.095  26.543   2.691
    5    HD1  HIS  -9           1HD      HIS  -9  14.582  28.364  -0.347
    6    HD2  HIS  -9           2HD      HIS  -9  16.862  25.057   0.760
    7    HE1  HIS  -9           1HE      HIS  -9  16.360  28.138  -2.114
    8    HE2  HIS  -9           2HE      HIS  -9  17.710  26.116  -1.450
    9    H    SER  -8           HN       SER  -8  13.773  23.849   3.900
   10    HA   SER  -8           HA       SER  -8  12.322  23.204   5.527
   11   1HB   SER  -8          2HB       SER  -8  12.655  25.571   6.289
   12   2HB   SER  -8          1HB       SER  -8  11.254  26.042   5.326
   13    HG   SER  -8           HG       SER  -8  10.028  24.521   6.617
   14    H    SER  -7           HN       SER  -7  11.281  21.732   4.213
   15    HA   SER  -7           HA       SER  -7   9.698  20.775   2.919
   16   1HB   SER  -7          2HB       SER  -7   8.075  23.290   3.408
   17   2HB   SER  -7          1HB       SER  -7   7.467  21.790   2.703
   18    HG   SER  -7           HG       SER  -7   8.496  20.942   4.850
   19    H    GLY  -6           HN       GLY  -6   8.256  21.552   0.767
   20   1HA   GLY  -6          2HA       GLY  -6   8.506  22.352  -1.409
   21   2HA   GLY  -6          1HA       GLY  -6   9.866  23.331  -0.863
   22    H    HIS  -5           HN       HIS  -5   9.979  20.156   0.152
   23    HA   HIS  -5           HA       HIS  -5  11.970  19.453  -1.896
   24   1HB   HIS  -5          2HB       HIS  -5  12.904  19.681   0.363
   25   2HB   HIS  -5          1HB       HIS  -5  11.714  18.554   0.989
   26    HD1  HIS  -5           1HD      HIS  -5  14.941  18.721  -0.870
   27    HD2  HIS  -5           2HD      HIS  -5  12.248  15.864   0.490
   28    HE1  HIS  -5           1HE      HIS  -5  16.133  16.513  -1.073
   29    HE2  HIS  -5           2HE      HIS  -5  14.537  14.816  -0.102
   30    H    ILE  -4           HN       ILE  -4  11.613  17.623  -3.077
   31    HA   ILE  -4           HA       ILE  -4   9.050  16.352  -2.786
   32    HB   ILE  -4           HB       ILE  -4   9.894  16.755  -5.012
   33   1HG1  ILE  -4          2HG1      ILE  -4   9.885  13.774  -4.535
   34   2HG1  ILE  -4          1HG1      ILE  -4   8.429  14.764  -4.480
   35   1HG2  ILE  -4          1HG2      ILE  -4  12.122  14.841  -4.326
   36   2HG2  ILE  -4          2HG2      ILE  -4  12.284  16.577  -4.606
   37   3HG2  ILE  -4          3HG2      ILE  -4  11.798  15.510  -5.926
   38   1HD1  ILE  -4          1HD1      ILE  -4   8.641  13.694  -6.619
   39   2HD1  ILE  -4          2HD1      ILE  -4  10.245  14.391  -6.841
   40   3HD1  ILE  -4          3HD1      ILE  -4   8.827  15.438  -6.791
   41    H    GLU  -3           HN       GLU  -3   8.673  14.844  -1.350
   42    HA   GLU  -3           HA       GLU  -3  10.852  13.163  -0.398
   43   1HB   GLU  -3          2HB       GLU  -3   9.253  12.528   1.389
   44   2HB   GLU  -3          1HB       GLU  -3   9.593  14.249   1.325
   45   1HG   GLU  -3          2HG       GLU  -3   7.481  14.570   0.075
   46   2HG   GLU  -3          1HG       GLU  -3   7.128  12.860   0.315
   47    H    GLY  -2           HN       GLY  -2   9.190  12.995  -2.923
   48   1HA   GLY  -2          2HA       GLY  -2   9.227  11.179  -4.357
   49   2HA   GLY  -2          1HA       GLY  -2   9.575  10.153  -2.970
   50    H    ARG  -1           HN       ARG  -1   8.136   8.795  -4.122
   51    HA   ARG  -1           HA       ARG  -1   5.437   9.132  -3.047
   52   1HB   ARG  -1          2HB       ARG  -1   4.343   8.319  -4.992
   53   2HB   ARG  -1          1HB       ARG  -1   5.401   9.619  -5.517
   54   1HG   ARG  -1          2HG       ARG  -1   7.001   8.023  -6.371
   55   2HG   ARG  -1          1HG       ARG  -1   6.035   6.685  -5.736
   56   1HD   ARG  -1          2HD       ARG  -1   5.710   7.070  -8.165
   57   2HD   ARG  -1          1HD       ARG  -1   4.225   7.211  -7.223
   58    HE   ARG  -1           HE       ARG  -1   5.753   9.613  -7.983
   59   1HH1  ARG  -1          1HH1      ARG  -1   2.788   7.730  -8.017
   60   2HH1  ARG  -1          2HH1      ARG  -1   1.843   9.007  -8.732
   61   1HH2  ARG  -1          1HH2      ARG  -1   4.503  11.285  -8.928
   62   2HH2  ARG  -1          2HH2      ARG  -1   2.811  11.032  -9.234
   63    H    HIS   0           HN       HIS   0   4.277   6.936  -3.067
   64    HA   HIS   0           HA       HIS   0   6.140   4.716  -2.826
   65   1HB   HIS   0          2HB       HIS   0   5.178   4.091  -0.588
   66   2HB   HIS   0          1HB       HIS   0   6.213   5.513  -0.580
   67    HD1  HIS   0           1HD      HIS   0   5.298   7.031   1.127
   68    HD2  HIS   0           2HD      HIS   0   2.293   5.317  -1.164
   69    HE1  HIS   0           1HE      HIS   0   3.155   8.077   1.932
   70    HE2  HIS   0           2HE      HIS   0   1.352   7.066   0.493
   71    H    MET   1           HN       MET   1   5.307   2.837  -3.426
   72    HA   MET   1           HA       MET   1   2.377   2.639  -3.642
   73   1HB   MET   1          2HB       MET   1   3.376   2.451  -5.839
   74   2HB   MET   1          1HB       MET   1   4.523   1.253  -5.263
   75   1HG   MET   1          2HG       MET   1   2.650  -0.283  -4.810
   76   2HG   MET   1          1HG       MET   1   1.542   0.916  -5.475
   77   1HE   MET   1          1HE       MET   1   0.609  -0.962  -7.167
   78   2HE   MET   1          2HE       MET   1   1.745  -2.122  -6.478
   79   3HE   MET   1          3HE       MET   1   1.655  -1.905  -8.228
   80    H    LEU   2           HN       LEU   2   1.618   1.530  -1.984
   81    HA   LEU   2           HA       LEU   2   3.329  -0.536  -0.794
   82   1HB   LEU   2          2HB       LEU   2   2.404   1.385   0.625
   83   2HB   LEU   2          1HB       LEU   2   0.832   0.638   0.421
   84    HG   LEU   2           HG       LEU   2   2.140   0.149   2.592
   85   1HD1  LEU   2          1HD1      LEU   2   1.311  -2.163   2.691
   86   2HD1  LEU   2          2HD1      LEU   2   1.027  -2.123   0.951
   87   3HD1  LEU   2          3HD1      LEU   2   0.118  -1.052   2.018
   88   1HD2  LEU   2          1HD2      LEU   2   4.281  -0.360   1.523
   89   2HD2  LEU   2          2HD2      LEU   2   3.553  -1.754   0.729
   90   3HD2  LEU   2          3HD2      LEU   2   3.697  -1.717   2.486
   91    H    VAL   3           HN       VAL   3   2.809  -2.580  -0.991
   92    HA   VAL   3           HA       VAL   3   0.663  -3.267  -2.751
   93    HB   VAL   3           HB       VAL   3   1.709  -5.582  -2.431
   94   1HG1  VAL   3          1HG1      VAL   3   3.339  -3.328  -3.594
   95   2HG1  VAL   3          2HG1      VAL   3   2.038  -4.193  -4.413
   96   3HG1  VAL   3          3HG1      VAL   3   3.526  -5.039  -3.986
   97   1HG2  VAL   3          1HG2      VAL   3   4.016  -5.581  -1.616
   98   2HG2  VAL   3          2HG2      VAL   3   2.887  -5.111  -0.347
   99   3HG2  VAL   3          3HG2      VAL   3   3.852  -3.884  -1.168
  100    H    LEU   4           HN       LEU   4  -1.203  -4.083  -2.237
  101    HA   LEU   4           HA       LEU   4  -1.666  -5.183   0.464
  102   1HB   LEU   4          2HB       LEU   4  -3.857  -4.492  -1.459
  103   2HB   LEU   4          1HB       LEU   4  -3.936  -4.640   0.255
  104    HG   LEU   4           HG       LEU   4  -2.669  -2.474   0.463
  105   1HD1  LEU   4          1HD1      LEU   4  -1.772  -2.420  -1.831
  106   2HD1  LEU   4          2HD1      LEU   4  -2.730  -0.987  -1.458
  107   3HD1  LEU   4          3HD1      LEU   4  -3.415  -2.270  -2.457
  108   1HD2  LEU   4          1HD2      LEU   4  -4.694  -1.162   0.020
  109   2HD2  LEU   4          2HD2      LEU   4  -5.049  -2.673   0.857
  110   3HD2  LEU   4          3HD2      LEU   4  -5.371  -2.525  -0.870
  111    H    SER   5           HN       SER   5  -2.044  -7.363   0.491
  112    HA   SER   5           HA       SER   5  -2.302  -8.645  -2.106
  113   1HB   SER   5          2HB       SER   5  -1.650  -9.805   0.597
  114   2HB   SER   5          1HB       SER   5  -1.883 -10.771  -0.864
  115    HG   SER   5           HG       SER   5   0.092  -8.795  -0.375
  116    H    ARG   6           HN       ARG   6  -4.062  -9.331  -2.864
  117    HA   ARG   6           HA       ARG   6  -6.309 -10.081  -1.213
  118   1HB   ARG   6          2HB       ARG   6  -6.989  -7.883  -1.307
  119   2HB   ARG   6          1HB       ARG   6  -6.110  -7.555  -2.790
  120   1HG   ARG   6          2HG       ARG   6  -8.231  -9.393  -3.346
  121   2HG   ARG   6          1HG       ARG   6  -8.871  -8.013  -2.450
  122   1HD   ARG   6          2HD       ARG   6  -8.931  -7.637  -4.882
  123   2HD   ARG   6          1HD       ARG   6  -7.887  -6.477  -4.061
  124    HE   ARG   6           HE       ARG   6  -6.384  -8.711  -4.937
  125   1HH1  ARG   6          1HH1      ARG   6  -8.002  -5.871  -6.217
  126   2HH1  ARG   6          2HH1      ARG   6  -6.896  -5.701  -7.544
  127   1HH2  ARG   6          1HH2      ARG   6  -4.950  -8.491  -6.663
  128   2HH2  ARG   6          2HH2      ARG   6  -5.138  -7.189  -7.790
  129    H    LYS   7           HN       LYS   7  -7.070 -11.894  -2.112
  130    HA   LYS   7           HA       LYS   7  -6.053 -12.550  -4.793
  131   1HB   LYS   7          2HB       LYS   7  -7.353 -14.559  -2.987
  132   2HB   LYS   7          1HB       LYS   7  -6.030 -14.777  -4.127
  133   1HG   LYS   7          2HG       LYS   7  -5.890 -13.458  -1.422
  134   2HG   LYS   7          1HG       LYS   7  -5.155 -14.990  -1.900
  135   1HD   LYS   7          2HD       LYS   7  -3.448 -13.973  -2.981
  136   2HD   LYS   7          1HD       LYS   7  -4.421 -12.565  -3.428
  137   1HE   LYS   7          2HE       LYS   7  -2.820 -11.889  -1.779
  138   2HE   LYS   7          1HE       LYS   7  -4.421 -11.872  -1.054
  139   1HZ   LYS   7          1HZ       LYS   7  -3.996 -13.931   0.036
  140   2HZ   LYS   7          2HZ       LYS   7  -2.702 -12.890   0.384
  141   3HZ   LYS   7          3HZ       LYS   7  -2.513 -14.128  -0.763
  142    H    ILE   8           HN       ILE   8  -8.228 -10.813  -4.423
  143    HA   ILE   8           HA       ILE   8 -10.572 -12.382  -5.270
  144    HB   ILE   8           HB       ILE   8 -10.773  -9.692  -3.942
  145   1HG1  ILE   8          2HG1      ILE   8  -9.288 -11.189  -2.533
  146   2HG1  ILE   8          1HG1      ILE   8 -10.781 -10.675  -1.740
  147   1HG2  ILE   8          1HG2      ILE   8 -12.773 -10.645  -4.944
  148   2HG2  ILE   8          2HG2      ILE   8 -12.931 -10.585  -3.189
  149   3HG2  ILE   8          3HG2      ILE   8 -12.574 -12.114  -3.992
  150   1HD1  ILE   8          1HD1      ILE   8 -10.309 -13.353  -3.033
  151   2HD1  ILE   8          2HD1      ILE   8 -11.785 -12.845  -2.212
  152   3HD1  ILE   8          3HD1      ILE   8 -10.284 -13.016  -1.302
  153    H    ASN   9           HN       ASN   9  -8.272 -10.271  -6.279
  154    HA   ASN   9           HA       ASN   9  -8.049  -8.493  -7.674
  155   1HB   ASN   9          2HB       ASN   9  -8.899  -8.873  -9.939
  156   2HB   ASN   9          1HB       ASN   9  -8.165 -10.319  -9.269
  157   1HD2  ASN   9          1HD2      ASN   9  -9.442 -12.111  -8.881
  158   2HD2  ASN   9          2HD2      ASN   9 -11.071 -12.242  -9.449
  159    H    GLU  10           HN       GLU  10 -10.305  -8.238  -5.757
  160    HA   GLU  10           HA       GLU  10 -12.268  -6.625  -7.064
  161   1HB   GLU  10          2HB       GLU  10 -12.993  -6.071  -4.767
  162   2HB   GLU  10          1HB       GLU  10 -12.836  -7.803  -5.015
  163   1HG   GLU  10          2HG       GLU  10 -10.734  -7.829  -3.836
  164   2HG   GLU  10          1HG       GLU  10 -10.759  -6.072  -3.688
  165    H    ALA  11           HN       ALA  11 -12.626  -4.341  -6.094
  166    HA   ALA  11           HA       ALA  11 -10.063  -2.910  -6.334
  167   1HB   ALA  11          1HB       ALA  11 -11.347  -1.002  -7.157
  168   2HB   ALA  11          2HB       ALA  11 -12.845  -1.909  -6.957
  169   3HB   ALA  11          3HB       ALA  11 -11.650  -2.431  -8.145
  170    H    ILE  12           HN       ILE  12  -9.571  -1.282  -4.865
  171    HA   ILE  12           HA       ILE  12 -11.224  -1.376  -2.434
  172    HB   ILE  12           HB       ILE  12  -8.336  -0.508  -2.611
  173   1HG1  ILE  12          2HG1      ILE  12  -8.478  -2.852  -3.276
  174   2HG1  ILE  12          1HG1      ILE  12  -7.773  -2.719  -1.669
  175   1HG2  ILE  12          1HG2      ILE  12  -9.501   0.358  -0.676
  176   2HG2  ILE  12          2HG2      ILE  12  -8.378  -0.907  -0.172
  177   3HG2  ILE  12          3HG2      ILE  12 -10.104  -1.253  -0.284
  178   1HD1  ILE  12          1HD1      ILE  12 -10.618  -3.486  -2.287
  179   2HD1  ILE  12          2HD1      ILE  12  -9.917  -3.343  -0.674
  180   3HD1  ILE  12          3HD1      ILE  12  -9.326  -4.576  -1.787
  181    H    GLN  13           HN       GLN  13 -12.544   0.294  -2.351
  182    HA   GLN  13           HA       GLN  13 -11.506   2.973  -3.011
  183   1HB   GLN  13          2HB       GLN  13 -13.344   2.429  -4.476
  184   2HB   GLN  13          1HB       GLN  13 -14.314   1.851  -3.131
  185   1HG   GLN  13          2HG       GLN  13 -15.200   3.944  -3.711
  186   2HG   GLN  13          1HG       GLN  13 -14.270   4.212  -2.240
  187   1HE2  GLN  13          1HE2      GLN  13 -12.341   5.397  -2.355
  188   2HE2  GLN  13          2HE2      GLN  13 -11.941   6.370  -3.733
  189    H    ILE  14           HN       ILE  14 -10.781   3.696  -1.046
  190    HA   ILE  14           HA       ILE  14 -12.674   3.429   1.186
  191    HB   ILE  14           HB       ILE  14 -10.750   3.573   2.742
  192   1HG1  ILE  14          2HG1      ILE  14  -9.191   4.524   0.885
  193   2HG1  ILE  14          1HG1      ILE  14  -8.524   3.430   2.087
  194   1HG2  ILE  14          1HG2      ILE  14 -10.064   1.232   2.440
  195   2HG2  ILE  14          2HG2      ILE  14 -10.782   1.244   0.829
  196   3HG2  ILE  14          3HG2      ILE  14 -11.803   1.459   2.252
  197   1HD1  ILE  14          1HD1      ILE  14  -7.683   2.914  -0.122
  198   2HD1  ILE  14          2HD1      ILE  14  -9.327   2.699  -0.722
  199   3HD1  ILE  14          3HD1      ILE  14  -8.677   1.589   0.484
  200    H    GLY  15           HN       GLY  15 -13.646   5.196   1.669
  201   1HA   GLY  15          2HA       GLY  15 -13.986   7.317   2.449
  202   2HA   GLY  15          1HA       GLY  15 -12.265   7.375   2.780
  203    H    ALA  16           HN       ALA  16 -13.147   6.800  -0.473
  204    HA   ALA  16           HA       ALA  16 -13.022   8.016  -2.383
  205   1HB   ALA  16          1HB       ALA  16 -14.904   9.228  -1.385
  206   2HB   ALA  16          2HB       ALA  16 -13.897  10.278  -2.379
  207   3HB   ALA  16          3HB       ALA  16 -13.772  10.344  -0.622
  208    H    ASP  17           HN       ASP  17 -10.702   8.017  -0.252
  209    HA   ASP  17           HA       ASP  17  -9.134  10.207  -1.421
  210   1HB   ASP  17          2HB       ASP  17  -8.968   9.840   1.054
  211   2HB   ASP  17          1HB       ASP  17  -8.312   8.239   0.730
  212    H    ILE  18           HN       ILE  18  -8.955   6.722  -0.875
  213    HA   ILE  18           HA       ILE  18  -7.128   6.525  -3.166
  214    HB   ILE  18           HB       ILE  18  -7.149   4.986  -0.568
  215   1HG1  ILE  18          2HG1      ILE  18  -5.920   7.115  -0.601
  216   2HG1  ILE  18          1HG1      ILE  18  -4.832   5.745  -0.415
  217   1HG2  ILE  18          1HG2      ILE  18  -5.347   3.591  -1.518
  218   2HG2  ILE  18          2HG2      ILE  18  -5.630   4.328  -3.095
  219   3HG2  ILE  18          3HG2      ILE  18  -6.890   3.353  -2.340
  220   1HD1  ILE  18          1HD1      ILE  18  -4.233   5.900  -2.770
  221   2HD1  ILE  18          2HD1      ILE  18  -3.923   7.416  -1.923
  222   3HD1  ILE  18          3HD1      ILE  18  -5.338   7.262  -2.966
  223    H    GLU  19           HN       GLU  19  -7.978   5.522  -4.827
  224    HA   GLU  19           HA       GLU  19  -9.525   3.097  -4.387
  225   1HB   GLU  19          2HB       GLU  19 -11.151   3.696  -6.146
  226   2HB   GLU  19          1HB       GLU  19 -11.263   4.736  -4.739
  227   1HG   GLU  19          2HG       GLU  19  -9.837   5.479  -7.280
  228   2HG   GLU  19          1HG       GLU  19 -11.512   5.895  -6.921
  229    H    VAL  20           HN       VAL  20  -8.663   1.496  -5.533
  230    HA   VAL  20           HA       VAL  20  -7.961   1.548  -8.203
  231    HB   VAL  20           HB       VAL  20  -6.212   3.183  -7.412
  232   1HG1  VAL  20          1HG1      VAL  20  -4.260   2.349  -6.226
  233   2HG1  VAL  20          2HG1      VAL  20  -5.018   0.765  -6.068
  234   3HG1  VAL  20          3HG1      VAL  20  -5.717   2.164  -5.254
  235   1HG2  VAL  20          1HG2      VAL  20  -5.238   0.617  -8.655
  236   2HG2  VAL  20          2HG2      VAL  20  -4.360   2.147  -8.666
  237   3HG2  VAL  20          3HG2      VAL  20  -5.911   2.014  -9.498
  238    H    LYS  21           HN       LYS  21  -7.297  -0.459  -8.903
  239    HA   LYS  21           HA       LYS  21  -6.285  -2.351  -6.911
  240   1HB   LYS  21          2HB       LYS  21  -7.465  -4.146  -8.328
  241   2HB   LYS  21          1HB       LYS  21  -8.433  -3.215  -7.196
  242   1HG   LYS  21          2HG       LYS  21  -9.271  -1.827  -8.969
  243   2HG   LYS  21          1HG       LYS  21  -8.215  -2.632 -10.141
  244   1HD   LYS  21          2HD       LYS  21  -9.376  -4.750  -9.734
  245   2HD   LYS  21          1HD       LYS  21 -10.423  -3.953  -8.557
  246   1HE   LYS  21          2HE       LYS  21 -11.269  -2.482 -10.330
  247   2HE   LYS  21          1HE       LYS  21 -10.241  -3.313 -11.499
  248   1HZ   LYS  21          1HZ       LYS  21 -12.521  -4.142 -11.546
  249   2HZ   LYS  21          2HZ       LYS  21 -12.418  -4.580  -9.915
  250   3HZ   LYS  21          3HZ       LYS  21 -11.444  -5.359 -11.064
  251    H    VAL  22           HN       VAL  22  -4.196  -2.135  -7.519
  252    HA   VAL  22           HA       VAL  22  -3.536  -2.610 -10.333
  253    HB   VAL  22           HB       VAL  22  -1.651  -2.072  -8.022
  254   1HG1  VAL  22          1HG1      VAL  22  -0.616  -3.211  -9.920
  255   2HG1  VAL  22          2HG1      VAL  22  -0.015  -1.562  -9.758
  256   3HG1  VAL  22          3HG1      VAL  22  -1.201  -1.949 -11.004
  257   1HG2  VAL  22          1HG2      VAL  22  -2.714  -0.134 -10.077
  258   2HG2  VAL  22          2HG2      VAL  22  -1.504   0.218  -8.842
  259   3HG2  VAL  22          3HG2      VAL  22  -3.156  -0.174  -8.370
  260    H    ILE  23           HN       ILE  23  -3.642  -4.708 -10.831
  261    HA   ILE  23           HA       ILE  23  -3.099  -6.673  -8.760
  262    HB   ILE  23           HB       ILE  23  -4.076  -7.124 -11.574
  263   1HG1  ILE  23          2HG1      ILE  23  -5.724  -7.081  -9.044
  264   2HG1  ILE  23          1HG1      ILE  23  -5.542  -5.656 -10.063
  265   1HG2  ILE  23          1HG2      ILE  23  -4.095  -8.900  -9.144
  266   2HG2  ILE  23          2HG2      ILE  23  -3.086  -9.102 -10.576
  267   3HG2  ILE  23          3HG2      ILE  23  -4.837  -9.285 -10.695
  268   1HD1  ILE  23          1HD1      ILE  23  -6.741  -8.297 -10.882
  269   2HD1  ILE  23          2HD1      ILE  23  -6.551  -6.891 -11.926
  270   3HD1  ILE  23          3HD1      ILE  23  -7.621  -6.812 -10.529
  271    H    ALA  24           HN       ALA  24  -1.203  -7.483  -8.506
  272    HA   ALA  24           HA       ALA  24   0.644  -7.643 -10.789
  273   1HB   ALA  24          1HB       ALA  24   1.334  -6.898  -7.947
  274   2HB   ALA  24          2HB       ALA  24   1.243  -5.784  -9.309
  275   3HB   ALA  24          3HB       ALA  24   2.471  -7.047  -9.286
  276    H    VAL  25           HN       VAL  25   2.325  -9.255 -10.550
  277    HA   VAL  25           HA       VAL  25   1.216 -11.674  -9.370
  278    HB   VAL  25           HB       VAL  25   3.628 -11.395 -11.171
  279   1HG1  VAL  25          1HG1      VAL  25   3.600 -13.460  -9.866
  280   2HG1  VAL  25          2HG1      VAL  25   3.327 -13.783 -11.578
  281   3HG1  VAL  25          3HG1      VAL  25   1.974 -13.812 -10.448
  282   1HG2  VAL  25          1HG2      VAL  25   0.768 -12.044 -11.882
  283   2HG2  VAL  25          2HG2      VAL  25   2.141 -12.128 -12.988
  284   3HG2  VAL  25          3HG2      VAL  25   1.645 -10.576 -12.311
  285    H    GLU  26           HN       GLU  26   1.777 -12.177  -7.392
  286    HA   GLU  26           HA       GLU  26   4.404 -11.413  -6.323
  287   1HB   GLU  26          2HB       GLU  26   2.223 -10.893  -5.118
  288   2HB   GLU  26          1HB       GLU  26   2.037 -12.630  -4.896
  289   1HG   GLU  26          2HG       GLU  26   2.921 -11.456  -2.908
  290   2HG   GLU  26          1HG       GLU  26   3.974 -12.739  -3.504
  291    H    GLY  27           HN       GLY  27   4.642 -13.363  -8.186
  292   1HA   GLY  27          2HA       GLY  27   5.583 -15.463  -8.433
  293   2HA   GLY  27          1HA       GLY  27   5.433 -15.695  -6.694
  294    H    ASP  28           HN       ASP  28   3.280 -16.200  -5.851
  295    HA   ASP  28           HA       ASP  28   1.478 -17.335  -7.861
  296   1HB   ASP  28          2HB       ASP  28   1.165 -19.360  -6.653
  297   2HB   ASP  28          1HB       ASP  28   2.906 -19.118  -6.744
  298    H    GLN  29           HN       GLN  29   1.736 -15.002  -5.837
  299    HA   GLN  29           HA       GLN  29  -1.007 -15.235  -4.789
  300   1HB   GLN  29          2HB       GLN  29   0.732 -15.060  -3.031
  301   2HB   GLN  29          1HB       GLN  29   1.296 -13.561  -3.756
  302   1HG   GLN  29          2HG       GLN  29  -0.569 -12.369  -3.051
  303   2HG   GLN  29          1HG       GLN  29  -1.530 -13.829  -2.785
  304   1HE2  GLN  29          1HE2      GLN  29   0.839 -11.673  -1.509
  305   2HE2  GLN  29          2HE2      GLN  29   0.849 -12.325   0.088
  306    H    VAL  30           HN       VAL  30  -2.447 -13.620  -5.367
  307    HA   VAL  30           HA       VAL  30  -1.357 -11.591  -7.188
  308    HB   VAL  30           HB       VAL  30  -3.665 -11.253  -8.010
  309   1HG1  VAL  30          1HG1      VAL  30  -3.883 -13.426  -9.205
  310   2HG1  VAL  30          2HG1      VAL  30  -2.626 -14.082  -8.155
  311   3HG1  VAL  30          3HG1      VAL  30  -2.254 -12.751  -9.253
  312   1HG2  VAL  30          1HG2      VAL  30  -4.908 -11.936  -6.034
  313   2HG2  VAL  30          2HG2      VAL  30  -4.364 -13.602  -6.249
  314   3HG2  VAL  30          3HG2      VAL  30  -5.428 -12.858  -7.445
  315    H    LYS  31           HN       LYS  31  -1.395  -9.547  -6.685
  316    HA   LYS  31           HA       LYS  31  -2.851  -8.758  -4.282
  317   1HB   LYS  31          2HB       LYS  31  -0.889  -7.891  -3.253
  318   2HB   LYS  31          1HB       LYS  31  -0.514  -9.526  -3.787
  319   1HG   LYS  31          2HG       LYS  31   0.475  -8.463  -5.862
  320   2HG   LYS  31          1HG       LYS  31   0.338  -6.927  -5.013
  321   1HD   LYS  31          2HD       LYS  31   1.954  -9.334  -4.224
  322   2HD   LYS  31          1HD       LYS  31   2.548  -7.737  -4.686
  323   1HE   LYS  31          2HE       LYS  31   1.389  -6.802  -2.692
  324   2HE   LYS  31          1HE       LYS  31   0.986  -8.452  -2.213
  325   1HZ   LYS  31          1HZ       LYS  31   3.698  -7.284  -2.482
  326   2HZ   LYS  31          2HZ       LYS  31   3.407  -8.933  -2.238
  327   3HZ   LYS  31          3HZ       LYS  31   2.941  -7.808  -1.057
  328    H    LEU  32           HN       LEU  32  -3.281  -6.544  -4.092
  329    HA   LEU  32           HA       LEU  32  -2.891  -4.967  -6.538
  330   1HB   LEU  32          2HB       LEU  32  -4.572  -3.472  -5.764
  331   2HB   LEU  32          1HB       LEU  32  -5.221  -5.090  -5.636
  332    HG   LEU  32           HG       LEU  32  -3.937  -3.983  -3.205
  333   1HD1  LEU  32          1HD1      LEU  32  -5.921  -2.652  -2.654
  334   2HD1  LEU  32          2HD1      LEU  32  -6.563  -2.945  -4.271
  335   3HD1  LEU  32          3HD1      LEU  32  -5.078  -2.016  -4.065
  336   1HD2  LEU  32          1HD2      LEU  32  -5.863  -5.040  -2.140
  337   2HD2  LEU  32          2HD2      LEU  32  -5.029  -6.165  -3.211
  338   3HD2  LEU  32          3HD2      LEU  32  -6.540  -5.415  -3.725
  339    H    GLY  33           HN       GLY  33  -2.325  -2.590  -6.120
  340   1HA   GLY  33          2HA       GLY  33  -1.126  -2.190  -3.480
  341   2HA   GLY  33          1HA       GLY  33  -0.069  -1.980  -4.886
  342    H    ILE  34           HN       ILE  34  -1.033  -0.041  -2.816
  343    HA   ILE  34           HA       ILE  34  -2.408   1.833  -4.607
  344    HB   ILE  34           HB       ILE  34  -3.104   3.128  -2.736
  345   1HG1  ILE  34          2HG1      ILE  34  -1.933   1.384  -0.651
  346   2HG1  ILE  34          1HG1      ILE  34  -0.805   2.440  -1.505
  347   1HG2  ILE  34          1HG2      ILE  34  -4.424   1.147  -3.200
  348   2HG2  ILE  34          2HG2      ILE  34  -4.447   1.547  -1.483
  349   3HG2  ILE  34          3HG2      ILE  34  -3.442   0.220  -2.067
  350   1HD1  ILE  34          1HD1      ILE  34  -3.279   3.278  -0.007
  351   2HD1  ILE  34          2HD1      ILE  34  -2.222   4.364  -0.908
  352   3HD1  ILE  34          3HD1      ILE  34  -1.605   3.504   0.506
  353    H    ASP  35           HN       ASP  35  -1.298   3.416  -5.493
  354    HA   ASP  35           HA       ASP  35   1.239   4.201  -4.223
  355   1HB   ASP  35          2HB       ASP  35   1.758   3.302  -6.380
  356   2HB   ASP  35          1HB       ASP  35   0.464   4.214  -7.143
  357    H    ALA  36           HN       ALA  36   1.489   6.245  -3.641
  358    HA   ALA  36           HA       ALA  36  -0.571   8.183  -4.441
  359   1HB   ALA  36          1HB       ALA  36  -1.169   7.258  -2.245
  360   2HB   ALA  36          2HB       ALA  36  -0.755   8.969  -2.145
  361   3HB   ALA  36          3HB       ALA  36   0.403   7.747  -1.618
  362    HA   PRO  37           HA       PRO  37   2.909  10.861  -5.090
  363   1HB   PRO  37          2HB       PRO  37   1.665  13.262  -4.919
  364   2HB   PRO  37          1HB       PRO  37   1.464  12.179  -6.300
  365   1HG   PRO  37          2HG       PRO  37  -0.325  12.567  -3.922
  366   2HG   PRO  37          1HG       PRO  37  -0.760  12.458  -5.639
  367   1HD   PRO  37          2HD       PRO  37  -1.010  10.365  -3.961
  368   2HD   PRO  37          1HD       PRO  37  -0.568  10.157  -5.670
  369    H    LYS  38           HN       LYS  38   2.303   9.934  -2.344
  370    HA   LYS  38           HA       LYS  38   2.998  10.255  -0.219
  371   1HB   LYS  38          2HB       LYS  38   5.061  10.974  -1.578
  372   2HB   LYS  38          1HB       LYS  38   4.593  12.617  -1.157
  373   1HG   LYS  38          2HG       LYS  38   6.285  11.760   0.351
  374   2HG   LYS  38          1HG       LYS  38   4.776  12.076   1.206
  375   1HD   LYS  38          2HD       LYS  38   4.365   9.857   1.588
  376   2HD   LYS  38          1HD       LYS  38   5.222   9.334   0.134
  377   1HE   LYS  38          2HE       LYS  38   6.506   8.668   2.048
  378   2HE   LYS  38          1HE       LYS  38   7.364   9.968   1.214
  379   1HZ   LYS  38          1HZ       LYS  38   7.363  10.245   3.633
  380   2HZ   LYS  38          2HZ       LYS  38   5.669  10.308   3.637
  381   3HZ   LYS  38          3HZ       LYS  38   6.558  11.533   2.866
  382    H    HIS  39           HN       HIS  39   0.670  11.683  -1.296
  383    HA   HIS  39           HA       HIS  39   0.323  14.124   0.058
  384   1HB   HIS  39          2HB       HIS  39  -2.008  13.848  -0.358
  385   2HB   HIS  39          1HB       HIS  39  -1.206  13.056  -1.711
  386    HD1  HIS  39           1HD      HIS  39  -0.586  10.492   0.264
  387    HD2  HIS  39           2HD      HIS  39  -4.262  12.142  -0.724
  388    HE1  HIS  39           1HE      HIS  39  -2.243   8.706   0.725
  389    HE2  HIS  39           2HE      HIS  39  -4.505   9.765   0.282
  390    H    ILE  40           HN       ILE  40  -1.611  14.059   1.815
  391    HA   ILE  40           HA       ILE  40  -0.577  12.540   4.061
  392    HB   ILE  40           HB       ILE  40  -2.155  13.829   5.435
  393   1HG1  ILE  40          2HG1      ILE  40  -3.708  14.090   3.310
  394   2HG1  ILE  40          1HG1      ILE  40  -3.751  15.272   4.619
  395   1HG2  ILE  40          1HG2      ILE  40  -0.454  15.540   3.633
  396   2HG2  ILE  40          2HG2      ILE  40   0.072  14.707   5.095
  397   3HG2  ILE  40          3HG2      ILE  40  -1.093  16.027   5.203
  398   1HD1  ILE  40          1HD1      ILE  40  -2.312  15.546   1.985
  399   2HD1  ILE  40          2HD1      ILE  40  -2.242  16.718   3.299
  400   3HD1  ILE  40          3HD1      ILE  40  -3.775  16.389   2.490
  401    H    ASP  41           HN       ASP  41  -1.892  11.058   5.191
  402    HA   ASP  41           HA       ASP  41  -3.930   9.925   3.450
  403   1HB   ASP  41          2HB       ASP  41  -3.780   7.991   5.173
  404   2HB   ASP  41          1HB       ASP  41  -2.475   8.259   4.015
  405    H    ILE  42           HN       ILE  42  -5.832  10.683   3.675
  406    HA   ILE  42           HA       ILE  42  -6.817  11.810   6.135
  407    HB   ILE  42           HB       ILE  42  -8.430  11.191   3.658
  408   1HG1  ILE  42          2HG1      ILE  42  -6.399  12.436   3.011
  409   2HG1  ILE  42          1HG1      ILE  42  -7.863  13.390   2.792
  410   1HG2  ILE  42          1HG2      ILE  42  -8.733  13.277   5.814
  411   2HG2  ILE  42          2HG2      ILE  42  -9.732  11.842   5.586
  412   3HG2  ILE  42          3HG2      ILE  42  -9.757  13.133   4.386
  413   1HD1  ILE  42          1HD1      ILE  42  -7.397  14.600   4.846
  414   2HD1  ILE  42          2HD1      ILE  42  -6.043  14.718   3.722
  415   3HD1  ILE  42          3HD1      ILE  42  -5.951  13.625   5.104
  416    H    HIS  43           HN       HIS  43  -8.158  10.828   7.589
  417    HA   HIS  43           HA       HIS  43  -9.637   8.442   6.724
  418   1HB   HIS  43          2HB       HIS  43  -8.432   8.449   9.476
  419   2HB   HIS  43          1HB       HIS  43  -9.055   7.095   8.534
  420    HD1  HIS  43           1HD      HIS  43  -6.015   8.346   9.748
  421    HD2  HIS  43           2HD      HIS  43  -7.211   6.802   6.073
  422    HE1  HIS  43           1HE      HIS  43  -3.911   7.594   8.617
  423    HE2  HIS  43           2HE      HIS  43  -4.700   6.359   6.575
  424    H    ARG  44           HN       ARG  44 -11.397   7.961   8.261
  425    HA   ARG  44           HA       ARG  44 -12.129  10.292   9.890
  426   1HB   ARG  44          2HB       ARG  44 -14.522   9.112   9.599
  427   2HB   ARG  44          1HB       ARG  44 -13.931  10.358   8.511
  428   1HG   ARG  44          2HG       ARG  44 -13.078   8.501   7.039
  429   2HG   ARG  44          1HG       ARG  44 -13.987   7.388   8.067
  430   1HD   ARG  44          2HD       ARG  44 -15.207   8.133   6.007
  431   2HD   ARG  44          1HD       ARG  44 -16.055   8.457   7.520
  432    HE   ARG  44           HE       ARG  44 -14.594  10.734   6.972
  433   1HH1  ARG  44          1HH1      ARG  44 -17.138   8.935   5.352
  434   2HH1  ARG  44          2HH1      ARG  44 -17.810  10.348   4.599
  435   1HH2  ARG  44          1HH2      ARG  44 -15.479  12.569   5.983
  436   2HH2  ARG  44          2HH2      ARG  44 -16.852  12.410   4.930
  437    H    LYS  45           HN       LYS  45 -14.295   8.757  11.186
  438    HA   LYS  45           HA       LYS  45 -12.862   7.719  13.336
  439   1HB   LYS  45          2HB       LYS  45 -15.661   6.945  12.498
  440   2HB   LYS  45          1HB       LYS  45 -14.966   6.766  14.104
  441   1HG   LYS  45          2HG       LYS  45 -15.551   9.348  12.673
  442   2HG   LYS  45          1HG       LYS  45 -16.405   8.691  14.068
  443   1HD   LYS  45          2HD       LYS  45 -14.446   8.951  15.449
  444   2HD   LYS  45          1HD       LYS  45 -13.485   9.448  14.056
  445   1HE   LYS  45          2HE       LYS  45 -14.093  11.404  15.322
  446   2HE   LYS  45          1HE       LYS  45 -14.966  11.414  13.790
  447   1HZ   LYS  45          1HZ       LYS  45 -16.386  12.037  15.648
  448   2HZ   LYS  45          2HZ       LYS  45 -16.087  10.551  16.404
  449   3HZ   LYS  45          3HZ       LYS  45 -16.931  10.601  14.931
  450    H    GLU  46           HN       GLU  46 -11.594   6.051  13.417
  451    HA   GLU  46           HA       GLU  46 -10.607   4.043  13.063
  452   1HB   GLU  46          2HB       GLU  46 -13.223   3.348  12.889
  453   2HB   GLU  46          1HB       GLU  46 -12.670   2.919  11.278
  454   1HG   GLU  46          2HG       GLU  46 -12.495   0.998  12.656
  455   2HG   GLU  46          1HG       GLU  46 -10.862   1.579  12.323
  456    H    ILE  47           HN       ILE  47  -8.931   3.868  11.747
  457    HA   ILE  47           HA       ILE  47  -8.690   5.392   9.413
  458    HB   ILE  47           HB       ILE  47  -6.612   4.240   8.961
  459   1HG1  ILE  47          2HG1      ILE  47  -7.511   2.337  11.144
  460   2HG1  ILE  47          1HG1      ILE  47  -7.258   1.953   9.445
  461   1HG2  ILE  47          1HG2      ILE  47  -6.626   5.976  10.669
  462   2HG2  ILE  47          2HG2      ILE  47  -5.458   4.719  11.075
  463   3HG2  ILE  47          3HG2      ILE  47  -7.013   4.780  11.904
  464   1HD1  ILE  47          1HD1      ILE  47  -4.878   2.310   9.697
  465   2HD1  ILE  47          2HD1      ILE  47  -5.455   1.131  10.876
  466   3HD1  ILE  47          3HD1      ILE  47  -5.107   2.784  11.381
  467    H    TYR  48           HN       TYR  48  -9.283   5.080   7.404
  468    HA   TYR  48           HA       TYR  48 -10.499   2.538   6.766
  469   1HB   TYR  48          2HB       TYR  48 -11.678   3.687   5.017
  470   2HB   TYR  48          1HB       TYR  48 -11.783   4.591   6.519
  471    HD1  TYR  48           1HD      TYR  48  -9.091   4.574   4.003
  472    HD2  TYR  48           2HD      TYR  48 -12.202   6.793   5.850
  473    HE1  TYR  48           1HE      TYR  48  -8.293   6.597   2.877
  474    HE2  TYR  48           2HE      TYR  48 -11.407   8.843   4.741
  475    HH   TYR  48           HH       TYR  48  -9.474   9.733   3.683
  476    H    LEU  49           HN       LEU  49  -7.528   3.931   6.289
  477    HA   LEU  49           HA       LEU  49  -7.127   2.781   3.621
  478   1HB   LEU  49          2HB       LEU  49  -5.815   4.886   5.219
  479   2HB   LEU  49          1HB       LEU  49  -4.742   3.897   4.246
  480    HG   LEU  49           HG       LEU  49  -7.145   5.311   3.089
  481   1HD1  LEU  49          1HD1      LEU  49  -5.594   7.022   2.301
  482   2HD1  LEU  49          2HD1      LEU  49  -4.274   6.243   3.177
  483   3HD1  LEU  49          3HD1      LEU  49  -5.621   6.964   4.064
  484   1HD2  LEU  49          1HD2      LEU  49  -4.662   4.132   1.852
  485   2HD2  LEU  49          2HD2      LEU  49  -5.963   4.949   0.989
  486   3HD2  LEU  49          3HD2      LEU  49  -6.274   3.421   1.814
  487    H    THR  50           HN       THR  50  -5.040   2.989   6.463
  488    HA   THR  50           HA       THR  50  -3.504   1.632   7.345
  489    HB   THR  50           HB       THR  50  -5.713   0.358   7.841
  490    HG1  THR  50           1HG      THR  50  -3.757   0.086   9.019
  491   1HG2  THR  50          1HG2      THR  50  -4.407  -1.625   5.966
  492   2HG2  THR  50          2HG2      THR  50  -5.939  -0.796   5.687
  493   3HG2  THR  50          3HG2      THR  50  -5.788  -1.947   7.016
  494    H    ILE  51           HN       ILE  51  -3.577   2.034   4.277
  495    HA   ILE  51           HA       ILE  51  -1.753  -0.165   3.587
  496    HB   ILE  51           HB       ILE  51  -2.536   1.897   1.540
  497   1HG1  ILE  51          2HG1      ILE  51  -4.201  -0.560   2.029
  498   2HG1  ILE  51          1HG1      ILE  51  -4.561   0.935   2.867
  499   1HG2  ILE  51          1HG2      ILE  51  -0.842   0.230   1.036
  500   2HG2  ILE  51          2HG2      ILE  51  -2.292  -0.036   0.069
  501   3HG2  ILE  51          3HG2      ILE  51  -1.964  -1.061   1.466
  502   1HD1  ILE  51          1HD1      ILE  51  -4.525   0.543  -0.099
  503   2HD1  ILE  51          2HD1      ILE  51  -4.850   2.065   0.727
  504   3HD1  ILE  51          3HD1      ILE  51  -5.951   0.704   0.923
  505    H    GLN  52           HN       GLN  52  -1.826   3.346   2.775
  506    HA   GLN  52           HA       GLN  52   1.042   3.320   2.717
  507   1HB   GLN  52          2HB       GLN  52   1.006   5.495   1.879
  508   2HB   GLN  52          1HB       GLN  52  -0.473   4.793   1.227
  509   1HG   GLN  52          2HG       GLN  52  -1.827   6.057   2.588
  510   2HG   GLN  52          1HG       GLN  52  -0.580   6.274   3.816
  511   1HE2  GLN  52          1HE2      GLN  52  -0.648   8.474   3.938
  512   2HE2  GLN  52          2HE2      GLN  52  -0.210   9.520   2.623
  513    H    GLU  53           HN       GLU  53  -1.281   3.906   5.093
  514    HA   GLU  53           HA       GLU  53   0.401   5.656   6.615
  515   1HB   GLU  53          2HB       GLU  53  -1.292   5.523   8.278
  516   2HB   GLU  53          1HB       GLU  53  -2.048   5.756   6.726
  517   1HG   GLU  53          2HG       GLU  53  -2.500   3.321   6.658
  518   2HG   GLU  53          1HG       GLU  53  -1.921   3.227   8.325
  519    H    GLU  54           HN       GLU  54   0.087   2.329   6.124
  520    HA   GLU  54           HA       GLU  54   1.614   1.589   8.469
  521   1HB   GLU  54          2HB       GLU  54   0.558   0.095   6.067
  522   2HB   GLU  54          1HB       GLU  54   1.664  -0.661   7.216
  523   1HG   GLU  54          2HG       GLU  54  -1.028   0.519   7.878
  524   2HG   GLU  54          1HG       GLU  54  -0.682  -1.196   7.671
  525    H    ASN  55           HN       ASN  55   2.040   2.433   5.153
  526    HA   ASN  55           HA       ASN  55   4.874   1.702   5.179
  527   1HB   ASN  55          2HB       ASN  55   3.532   0.989   3.238
  528   2HB   ASN  55          1HB       ASN  55   3.110   2.664   2.912
  529   1HD2  ASN  55          1HD2      ASN  55   5.535   0.227   2.689
  530   2HD2  ASN  55          2HD2      ASN  55   6.635   1.123   1.686
  531    H    ASN  56           HN       ASN  56   3.763   4.253   3.162
  532    HA   ASN  56           HA       ASN  56   4.082   6.480   3.038
  533   1HB   ASN  56          2HB       ASN  56   2.924   6.367   5.263
  534   2HB   ASN  56          1HB       ASN  56   4.511   6.450   6.021
  535   1HD2  ASN  56          1HD2      ASN  56   3.902   8.404   7.018
  536   2HD2  ASN  56          2HD2      ASN  56   3.852   9.887   6.140
  537    H    ARG  57           HN       ARG  57   6.423   4.418   3.495
  538    HA   ARG  57           HA       ARG  57   8.550   6.146   2.927
  539   1HB   ARG  57          2HB       ARG  57   9.846   5.707   5.105
  540   2HB   ARG  57          1HB       ARG  57   8.601   6.949   5.124
  541   1HG   ARG  57          2HG       ARG  57   7.040   5.219   6.068
  542   2HG   ARG  57          1HG       ARG  57   8.447   4.172   6.263
  543   1HD   ARG  57          2HD       ARG  57   7.912   5.369   8.334
  544   2HD   ARG  57          1HD       ARG  57   9.496   5.824   7.711
  545    HE   ARG  57           HE       ARG  57   8.598   7.920   7.035
  546   1HH1  ARG  57          1HH1      ARG  57   6.354   5.942   8.868
  547   2HH1  ARG  57          2HH1      ARG  57   5.371   7.288   9.370
  548   1HH2  ARG  57          1HH2      ARG  57   7.289   9.696   7.656
  549   2HH2  ARG  57          2HH2      ARG  57   5.889   9.426   8.654
  550    H    ALA  58           HN       ALA  58   8.067   3.125   4.815
  551    HA   ALA  58           HA       ALA  58   9.049   1.467   2.750
  552   1HB   ALA  58          1HB       ALA  58  11.173   2.579   3.229
  553   2HB   ALA  58          2HB       ALA  58  11.234   0.858   3.606
  554   3HB   ALA  58          3HB       ALA  58  11.074   2.040   4.905
  555    H    ALA  59           HN       ALA  59   6.979   0.705   3.790
  556    HA   ALA  59           HA       ALA  59   7.546  -1.106   6.032
  557   1HB   ALA  59          1HB       ALA  59   5.127  -1.469   6.114
  558   2HB   ALA  59          2HB       ALA  59   4.925  -0.393   4.731
  559   3HB   ALA  59          3HB       ALA  59   5.539   0.239   6.258
  560    H    ALA  60           HN       ALA  60   6.721  -3.347   5.867
  561    HA   ALA  60           HA       ALA  60   6.658  -4.346   3.091
  562   1HB   ALA  60          1HB       ALA  60   8.173  -5.579   5.390
  563   2HB   ALA  60          2HB       ALA  60   8.871  -4.803   3.967
  564   3HB   ALA  60          3HB       ALA  60   7.968  -6.309   3.799
  565    H    LEU  61           HN       LEU  61   4.470  -4.668   3.047
  566    HA   LEU  61           HA       LEU  61   3.384  -6.588   5.003
  567   1HB   LEU  61          2HB       LEU  61   2.002  -4.388   3.467
  568   2HB   LEU  61          1HB       LEU  61   1.131  -5.662   4.292
  569    HG   LEU  61           HG       LEU  61   2.301  -4.874   6.424
  570   1HD1  LEU  61          1HD1      LEU  61   2.819  -2.456   4.703
  571   2HD1  LEU  61          2HD1      LEU  61   4.046  -3.530   5.381
  572   3HD1  LEU  61          3HD1      LEU  61   3.038  -2.553   6.451
  573   1HD2  LEU  61          1HD2      LEU  61   0.337  -3.072   5.020
  574   2HD2  LEU  61          2HD2      LEU  61   0.678  -3.058   6.749
  575   3HD2  LEU  61          3HD2      LEU  61  -0.047  -4.483   6.006
  576    H    SER  62           HN       SER  62   2.341  -8.382   4.283
  577    HA   SER  62           HA       SER  62   1.690 -10.073   2.872
  578   1HB   SER  62          2HB       SER  62   0.142  -9.441   1.145
  579   2HB   SER  62          1HB       SER  62  -0.103  -8.380   2.528
  580    HG   SER  62           HG       SER  62   1.388  -6.907   1.311
  581    H    SER  63           HN       SER  63   4.378  -9.457   2.638
  582    HA   SER  63           HA       SER  63   5.017 -10.656   0.157
  583   1HB   SER  63          2HB       SER  63   4.588  -8.268  -0.560
  584   2HB   SER  63          1HB       SER  63   5.954  -7.795   0.450
  585    HG   SER  63           HG       SER  63   5.918  -9.320  -1.922
  586    H    ASP  64           HN       ASP  64   6.371  -8.404   2.526
  587    HA   ASP  64           HA       ASP  64   8.259  -8.389   3.759
  588   1HB   ASP  64          2HB       ASP  64   7.204 -10.379   4.791
  589   2HB   ASP  64          1HB       ASP  64   8.073 -11.400   3.644
  590    H    VAL  65           HN       VAL  65   9.597  -7.467   2.365
  591    HA   VAL  65           HA       VAL  65  10.763  -8.665   0.128
  592    HB   VAL  65           HB       VAL  65  11.854  -6.357   1.750
  593   1HG1  VAL  65          1HG1      VAL  65  13.484  -7.197   0.178
  594   2HG1  VAL  65          2HG1      VAL  65  12.855  -5.652  -0.398
  595   3HG1  VAL  65          3HG1      VAL  65  12.296  -7.158  -1.125
  596   1HG2  VAL  65          1HG2      VAL  65  10.586  -4.903   0.271
  597   2HG2  VAL  65          2HG2      VAL  65   9.502  -6.021   1.101
  598   3HG2  VAL  65          3HG2      VAL  65   9.938  -6.302  -0.585
  599    H    ILE  66           HN       ILE  66  12.322  -7.825   3.221
  600    HA   ILE  66           HA       ILE  66  14.023 -10.171   2.959
  601    HB   ILE  66           HB       ILE  66  15.934  -8.539   3.833
  602   1HG1  ILE  66          2HG1      ILE  66  15.855  -6.431   2.433
  603   2HG1  ILE  66          1HG1      ILE  66  14.154  -6.772   2.141
  604   1HG2  ILE  66          1HG2      ILE  66  16.101 -10.022   1.923
  605   2HG2  ILE  66          2HG2      ILE  66  16.775  -8.439   1.536
  606   3HG2  ILE  66          3HG2      ILE  66  15.177  -8.889   0.939
  607   1HD1  ILE  66          1HD1      ILE  66  13.706  -6.591   4.530
  608   2HD1  ILE  66          2HD1      ILE  66  14.440  -5.118   3.892
  609   3HD1  ILE  66          3HD1      ILE  66  15.413  -6.260   4.824
  610    H    SER  67           HN       SER  67  12.486  -7.825   4.947
  611    HA   SER  67           HA       SER  67  12.169  -7.555   7.156
  612   1HB   SER  67          2HB       SER  67  11.110  -9.745   6.732
  613   2HB   SER  67          1HB       SER  67  12.617 -10.531   7.183
  614    HG   SER  67           HG       SER  67  10.659  -9.404   8.756
  615    H    ALA  68           HN       ALA  68  14.232 -10.282   7.888
  616    HA   ALA  68           HA       ALA  68  16.059  -8.511   9.319
  617   1HB   ALA  68          1HB       ALA  68  16.900 -10.558  10.354
  618   2HB   ALA  68          2HB       ALA  68  15.836 -11.518   9.329
  619   3HB   ALA  68          3HB       ALA  68  15.153 -10.424  10.532
  620    H    LEU  69           HN       LEU  69  17.993  -8.013   8.604
  621    HA   LEU  69           HA       LEU  69  19.919  -7.970   7.415
  622   1HB   LEU  69          2HB       LEU  69  19.323 -10.833   6.670
  623   2HB   LEU  69          1HB       LEU  69  20.876 -10.021   6.562
  624    HG   LEU  69           HG       LEU  69  19.387 -10.591   9.129
  625   1HD1  LEU  69          1HD1      LEU  69  21.812 -11.913   7.906
  626   2HD1  LEU  69          2HD1      LEU  69  20.220 -12.641   8.126
  627   3HD1  LEU  69          3HD1      LEU  69  21.200 -12.214   9.533
  628   1HD2  LEU  69          1HD2      LEU  69  22.143  -9.458   8.640
  629   2HD2  LEU  69          2HD2      LEU  69  21.475  -9.886  10.214
  630   3HD2  LEU  69          3HD2      LEU  69  20.753  -8.581   9.274
  631    H    SER  70           HN       SER  70  19.204  -6.476   5.974
  632    HA   SER  70           HA       SER  70  17.450  -7.131   3.822
  633   1HB   SER  70          2HB       SER  70  19.110  -4.633   4.228
  634   2HB   SER  70          1HB       SER  70  17.676  -4.793   3.212
  635    HG   SER  70           HG       SER  70  17.114  -3.863   5.190
  636    H    SER  71           HN       SER  71  20.777  -7.471   4.218
  637    HA   SER  71           HA       SER  71  21.287  -7.369   1.351
  638   1HB   SER  71          2HB       SER  71  23.642  -7.933   2.053
  639   2HB   SER  71          1HB       SER  71  23.028  -6.414   2.706
  640    HG   SER  71           HG       SER  71  23.529  -7.217   4.575
  641    H    GLN  72           HN       GLN  72  20.613  -9.576   3.899
  642    HA   GLN  72           HA       GLN  72  20.483 -11.830   4.094
  643   1HB   GLN  72          2HB       GLN  72  20.267 -11.669   1.083
  644   2HB   GLN  72          1HB       GLN  72  19.950 -13.111   2.034
  645   1HG   GLN  72          2HG       GLN  72  18.437 -10.552   2.468
  646   2HG   GLN  72          1HG       GLN  72  17.947 -11.757   1.271
  647   1HE2  GLN  72          1HE2      GLN  72  18.126 -10.949   4.613
  648   2HE2  GLN  72          2HE2      GLN  72  17.258 -12.321   5.209
  649    H    LYS  73           HN       LYS  73  22.349 -12.682   4.859
  650    HA   LYS  73           HA       LYS  73  24.793 -12.205   3.506
  651   1HB   LYS  73          2HB       LYS  73  25.915 -13.218   5.330
  652   2HB   LYS  73          1HB       LYS  73  24.560 -12.332   6.001
  653   1HG   LYS  73          2HG       LYS  73  24.590 -15.302   5.536
  654   2HG   LYS  73          1HG       LYS  73  24.982 -14.519   7.064
  655   1HD   LYS  73          2HD       LYS  73  22.722 -13.550   7.121
  656   2HD   LYS  73          1HD       LYS  73  22.341 -14.390   5.615
  657   1HE   LYS  73          2HE       LYS  73  22.788 -16.539   6.722
  658   2HE   LYS  73          1HE       LYS  73  23.129 -15.684   8.225
  659   1HZ   LYS  73          1HZ       LYS  73  20.533 -15.888   6.807
  660   2HZ   LYS  73          2HZ       LYS  73  20.810 -14.796   8.068
  661   3HZ   LYS  73          3HZ       LYS  73  20.926 -16.460   8.355
  662    H    LYS  74           HN       LYS  74  25.338 -13.155   1.738
  663    HA   LYS  74           HA       LYS  74  24.917 -16.055   1.481
  664   1HB   LYS  74          2HB       LYS  74  24.824 -13.933  -0.675
  665   2HB   LYS  74          1HB       LYS  74  24.752 -15.665  -0.974
  666   1HG   LYS  74          2HG       LYS  74  22.661 -15.826   0.230
  667   2HG   LYS  74          1HG       LYS  74  22.753 -14.118   0.663
  668   1HD   LYS  74          2HD       LYS  74  22.625 -15.147  -2.170
  669   2HD   LYS  74          1HD       LYS  74  21.223 -14.603  -1.249
  670   1HE   LYS  74          2HE       LYS  74  23.644 -12.899  -1.810
  671   2HE   LYS  74          1HE       LYS  74  22.183 -12.886  -2.794
  672   1HZ   LYS  74          1HZ       LYS  74  22.126 -11.087  -1.219
  673   2HZ   LYS  74          2HZ       LYS  74  22.380 -12.143   0.080
  674   3HZ   LYS  74          3HZ       LYS  74  20.932 -12.216  -0.804
  Start of MODEL    2
    1    H    HIS  -9           H        HIS  -9  15.398  22.248 -13.484
    2    HA   HIS  -9           HA       HIS  -9  17.829  21.618 -11.921
    3   1HB   HIS  -9          2HB       HIS  -9  18.100  23.206 -13.863
    4   2HB   HIS  -9          1HB       HIS  -9  16.935  24.266 -13.080
    5    HD1  HIS  -9           1HD      HIS  -9  18.019  26.089 -11.831
    6    HD2  HIS  -9           2HD      HIS  -9  20.346  22.643 -11.877
    7    HE1  HIS  -9           1HE      HIS  -9  20.129  26.676 -10.598
    8    HE2  HIS  -9           2HE      HIS  -9  21.588  24.629 -10.781
    9    H    SER  -8           HN       SER  -8  14.606  23.021 -12.033
   10    HA   SER  -8           HA       SER  -8  14.751  24.193  -9.424
   11   1HB   SER  -8          2HB       SER  -8  12.274  23.466 -11.006
   12   2HB   SER  -8          1HB       SER  -8  12.393  24.639  -9.695
   13    HG   SER  -8           HG       SER  -8  12.773  25.018 -12.302
   14    H    SER  -7           HN       SER  -7  13.955  21.053 -10.686
   15    HA   SER  -7           HA       SER  -7  13.443  19.063  -9.712
   16   1HB   SER  -7          2HB       SER  -7  15.400  19.744  -8.244
   17   2HB   SER  -7          1HB       SER  -7  14.224  20.348  -7.079
   18    HG   SER  -7           HG       SER  -7  14.028  18.384  -6.392
   19    H    GLY  -6           HN       GLY  -6  11.438  21.083 -10.071
   20   1HA   GLY  -6          2HA       GLY  -6   9.635  20.945  -7.819
   21   2HA   GLY  -6          1HA       GLY  -6   9.280  21.614  -9.407
   22    H    HIS  -5           HN       HIS  -5  10.639  18.666  -9.841
   23    HA   HIS  -5           HA       HIS  -5   8.099  17.417 -10.446
   24   1HB   HIS  -5          2HB       HIS  -5   9.881  17.255 -12.089
   25   2HB   HIS  -5          1HB       HIS  -5  10.975  16.572 -10.892
   26    HD1  HIS  -5           1HD      HIS  -5   7.820  15.683 -12.812
   27    HD2  HIS  -5           2HD      HIS  -5  10.916  13.854 -10.723
   28    HE1  HIS  -5           1HE      HIS  -5   7.551  13.216 -13.218
   29    HE2  HIS  -5           2HE      HIS  -5   9.587  12.172 -12.169
   30    H    ILE  -4           HN       ILE  -4   7.088  16.575  -8.729
   31    HA   ILE  -4           HA       ILE  -4   8.648  15.432  -6.563
   32    HB   ILE  -4           HB       ILE  -4   6.799  16.794  -5.874
   33   1HG1  ILE  -4          2HG1      ILE  -4   5.499  15.179  -4.486
   34   2HG1  ILE  -4          1HG1      ILE  -4   6.224  13.863  -5.404
   35   1HG2  ILE  -4          1HG2      ILE  -4   5.394  16.646  -7.836
   36   2HG2  ILE  -4          2HG2      ILE  -4   4.466  16.253  -6.388
   37   3HG2  ILE  -4          3HG2      ILE  -4   5.011  14.965  -7.462
   38   1HD1  ILE  -4          1HD1      ILE  -4   8.439  14.553  -4.624
   39   2HD1  ILE  -4          2HD1      ILE  -4   7.356  14.166  -3.287
   40   3HD1  ILE  -4          3HD1      ILE  -4   7.695  15.848  -3.686
   41    H    GLU  -3           HN       GLU  -3   9.479  13.516  -7.088
   42    HA   GLU  -3           HA       GLU  -3   7.674  11.478  -8.153
   43   1HB   GLU  -3          2HB       GLU  -3   9.701  10.250  -8.790
   44   2HB   GLU  -3          1HB       GLU  -3   9.659  11.855  -9.500
   45   1HG   GLU  -3          2HG       GLU  -3  11.286  12.674  -8.020
   46   2HG   GLU  -3          1HG       GLU  -3  11.165  11.249  -6.984
   47    H    GLY  -2           HN       GLY  -2   8.546  12.584  -5.342
   48   1HA   GLY  -2          2HA       GLY  -2   9.277  10.199  -3.925
   49   2HA   GLY  -2          1HA       GLY  -2   8.742  11.714  -3.202
   50    H    ARG  -1           HN       ARG  -1   7.842   8.569  -4.191
   51    HA   ARG  -1           HA       ARG  -1   5.119   9.074  -3.226
   52   1HB   ARG  -1          2HB       ARG  -1   4.164   7.698  -4.948
   53   2HB   ARG  -1          1HB       ARG  -1   5.157   8.925  -5.720
   54   1HG   ARG  -1          2HG       ARG  -1   6.948   7.297  -6.025
   55   2HG   ARG  -1          1HG       ARG  -1   5.954   6.069  -5.230
   56   1HD   ARG  -1          2HD       ARG  -1   5.857   5.859  -7.666
   57   2HD   ARG  -1          1HD       ARG  -1   4.282   6.256  -6.984
   58    HE   ARG  -1           HE       ARG  -1   5.946   8.411  -8.058
   59   1HH1  ARG  -1          1HH1      ARG  -1   3.070   6.408  -8.263
   60   2HH1  ARG  -1          2HH1      ARG  -1   2.322   7.408  -9.480
   61   1HH2  ARG  -1          1HH2      ARG  -1   4.959   9.719  -9.643
   62   2HH2  ARG  -1          2HH2      ARG  -1   3.388   9.287 -10.256
   63    H    HIS   0           HN       HIS   0   4.012   6.993  -2.648
   64    HA   HIS   0           HA       HIS   0   5.939   4.986  -1.731
   65   1HB   HIS   0          2HB       HIS   0   4.494   4.651   0.302
   66   2HB   HIS   0          1HB       HIS   0   5.379   6.167   0.255
   67    HD1  HIS   0           1HD      HIS   0   4.002   7.965   1.192
   68    HD2  HIS   0           2HD      HIS   0   1.719   5.245  -0.936
   69    HE1  HIS   0           1HE      HIS   0   1.641   8.815   1.336
   70    HE2  HIS   0           2HE      HIS   0   0.251   7.017   0.253
   71    H    MET   1           HN       MET   1   5.468   2.982  -2.381
   72    HA   MET   1           HA       MET   1   2.695   2.437  -3.214
   73   1HB   MET   1          2HB       MET   1   4.175   2.389  -5.144
   74   2HB   MET   1          1HB       MET   1   5.258   1.279  -4.324
   75   1HG   MET   1          2HG       MET   1   3.525  -0.435  -4.317
   76   2HG   MET   1          1HG       MET   1   2.416   0.685  -5.110
   77   1HE   MET   1          1HE       MET   1   3.222  -1.919  -7.932
   78   2HE   MET   1          2HE       MET   1   1.958  -1.166  -6.959
   79   3HE   MET   1          3HE       MET   1   3.111  -2.268  -6.207
   80    H    LEU   2           HN       LEU   2   1.740   1.279  -1.705
   81    HA   LEU   2           HA       LEU   2   3.319  -0.746  -0.291
   82   1HB   LEU   2          2HB       LEU   2   2.095   1.192   0.929
   83   2HB   LEU   2          1HB       LEU   2   0.644   0.270   0.592
   84    HG   LEU   2           HG       LEU   2   1.727   0.004   2.910
   85   1HD1  LEU   2          1HD1      LEU   2   1.142  -2.377   3.021
   86   2HD1  LEU   2          2HD1      LEU   2   1.077  -2.430   1.259
   87   3HD1  LEU   2          3HD1      LEU   2  -0.064  -1.427   2.153
   88   1HD2  LEU   2          1HD2      LEU   2   3.572  -1.764   1.307
   89   2HD2  LEU   2          2HD2      LEU   2   3.463  -1.716   3.065
   90   3HD2  LEU   2          3HD2      LEU   2   4.027  -0.300   2.179
   91    H    VAL   3           HN       VAL   3   2.361  -2.879  -0.044
   92    HA   VAL   3           HA       VAL   3   0.485  -3.454  -2.214
   93    HB   VAL   3           HB       VAL   3   1.620  -5.750  -2.079
   94   1HG1  VAL   3          1HG1      VAL   3   3.116  -3.364  -3.130
   95   2HG1  VAL   3          2HG1      VAL   3   1.846  -4.251  -3.975
   96   3HG1  VAL   3          3HG1      VAL   3   3.387  -5.035  -3.623
   97   1HG2  VAL   3          1HG2      VAL   3   3.723  -4.072  -0.736
   98   2HG2  VAL   3          2HG2      VAL   3   3.957  -5.714  -1.335
   99   3HG2  VAL   3          3HG2      VAL   3   2.840  -5.412  -0.005
  100    H    LEU   4           HN       LEU   4  -1.357  -4.439  -1.740
  101    HA   LEU   4           HA       LEU   4  -1.680  -5.707   0.907
  102   1HB   LEU   4          2HB       LEU   4  -3.316  -3.836  -0.517
  103   2HB   LEU   4          1HB       LEU   4  -4.189  -5.349  -0.405
  104    HG   LEU   4           HG       LEU   4  -3.295  -3.527   1.825
  105   1HD1  LEU   4          1HD1      LEU   4  -5.926  -4.810   1.101
  106   2HD1  LEU   4          2HD1      LEU   4  -5.466  -3.131   0.816
  107   3HD1  LEU   4          3HD1      LEU   4  -5.641  -3.731   2.466
  108   1HD2  LEU   4          1HD2      LEU   4  -4.060  -5.294   3.405
  109   2HD2  LEU   4          2HD2      LEU   4  -2.578  -5.718   2.553
  110   3HD2  LEU   4          3HD2      LEU   4  -4.112  -6.433   2.059
  111    H    SER   5           HN       SER   5  -1.997  -7.878   0.900
  112    HA   SER   5           HA       SER   5  -2.118  -9.203  -1.680
  113   1HB   SER   5          2HB       SER   5  -1.868 -10.441   1.069
  114   2HB   SER   5          1HB       SER   5  -1.535 -11.213  -0.484
  115    HG   SER   5           HG       SER   5   0.267 -10.196   0.902
  116    H    ARG   6           HN       ARG   6  -4.068  -9.480  -2.542
  117    HA   ARG   6           HA       ARG   6  -6.179 -10.676  -0.976
  118   1HB   ARG   6          2HB       ARG   6  -6.355  -7.878  -2.035
  119   2HB   ARG   6          1HB       ARG   6  -7.795  -8.890  -2.029
  120   1HG   ARG   6          2HG       ARG   6  -7.469  -9.257   0.398
  121   2HG   ARG   6          1HG       ARG   6  -6.123  -8.121   0.352
  122   1HD   ARG   6          2HD       ARG   6  -7.629  -6.353  -0.386
  123   2HD   ARG   6          1HD       ARG   6  -8.975  -7.493  -0.397
  124    HE   ARG   6           HE       ARG   6  -7.609  -7.262   2.144
  125   1HH1  ARG   6          1HH1      ARG   6 -10.223  -6.048   0.140
  126   2HH1  ARG   6          2HH1      ARG   6 -11.121  -5.422   1.479
  127   1HH2  ARG   6          1HH2      ARG   6  -8.806  -6.452   3.893
  128   2HH2  ARG   6          2HH2      ARG   6 -10.334  -5.659   3.611
  129    H    LYS   7           HN       LYS   7  -7.072 -12.187  -2.155
  130    HA   LYS   7           HA       LYS   7  -6.135 -12.379  -4.920
  131   1HB   LYS   7          2HB       LYS   7  -7.533 -14.608  -3.500
  132   2HB   LYS   7          1HB       LYS   7  -6.176 -14.673  -4.620
  133   1HG   LYS   7          2HG       LYS   7  -6.068 -13.740  -1.756
  134   2HG   LYS   7          1HG       LYS   7  -5.449 -15.272  -2.378
  135   1HD   LYS   7          2HD       LYS   7  -3.617 -14.282  -3.297
  136   2HD   LYS   7          1HD       LYS   7  -4.462 -12.761  -3.612
  137   1HE   LYS   7          2HE       LYS   7  -2.860 -12.388  -1.872
  138   2HE   LYS   7          1HE       LYS   7  -4.480 -12.330  -1.175
  139   1HZ   LYS   7          1HZ       LYS   7  -4.169 -14.700  -0.522
  140   2HZ   LYS   7          2HZ       LYS   7  -3.142 -13.623   0.282
  141   3HZ   LYS   7          3HZ       LYS   7  -2.545 -14.576  -0.990
  142    H    ILE   8           HN       ILE   8  -7.878 -10.591  -5.004
  143    HA   ILE   8           HA       ILE   8 -10.503 -11.747  -5.619
  144    HB   ILE   8           HB       ILE   8 -10.261  -9.088  -4.243
  145   1HG1  ILE   8          2HG1      ILE   8 -10.536 -11.750  -2.817
  146   2HG1  ILE   8          1HG1      ILE   8  -9.085 -10.749  -2.806
  147   1HG2  ILE   8          1HG2      ILE   8 -12.449 -11.161  -4.354
  148   2HG2  ILE   8          2HG2      ILE   8 -12.386  -9.667  -5.289
  149   3HG2  ILE   8          3HG2      ILE   8 -12.550  -9.603  -3.533
  150   1HD1  ILE   8          1HD1      ILE   8 -11.777  -9.967  -1.698
  151   2HD1  ILE   8          2HD1      ILE   8 -10.319  -8.976  -1.675
  152   3HD1  ILE   8          3HD1      ILE   8 -10.375 -10.484  -0.762
  153    H    ASN   9           HN       ASN   9  -8.075  -9.322  -6.053
  154    HA   ASN   9           HA       ASN   9  -7.770  -7.584  -7.475
  155   1HB   ASN   9          2HB       ASN   9  -7.952  -8.292  -9.896
  156   2HB   ASN   9          1HB       ASN   9  -6.924  -9.270  -8.861
  157   1HD2  ASN   9          1HD2      ASN   9  -9.851  -9.159 -10.721
  158   2HD2  ASN   9          2HD2      ASN   9 -10.186 -10.856 -10.639
  159    H    GLU  10           HN       GLU  10 -10.317  -7.422  -6.297
  160    HA   GLU  10           HA       GLU  10 -12.144  -6.316  -8.191
  161   1HB   GLU  10          2HB       GLU  10 -12.860  -5.136  -5.877
  162   2HB   GLU  10          1HB       GLU  10 -13.275  -6.803  -6.260
  163   1HG   GLU  10          2HG       GLU  10 -11.671  -7.673  -4.838
  164   2HG   GLU  10          1HG       GLU  10 -10.700  -6.199  -4.860
  165    H    ALA  11           HN       ALA  11 -12.195  -3.900  -6.098
  166    HA   ALA  11           HA       ALA  11  -9.732  -2.497  -6.874
  167   1HB   ALA  11          1HB       ALA  11 -11.430  -1.773  -8.506
  168   2HB   ALA  11          2HB       ALA  11 -10.971  -0.456  -7.428
  169   3HB   ALA  11          3HB       ALA  11 -12.499  -1.300  -7.186
  170    H    ILE  12           HN       ILE  12  -9.179  -0.816  -5.318
  171    HA   ILE  12           HA       ILE  12 -10.597  -1.271  -2.779
  172    HB   ILE  12           HB       ILE  12  -7.767  -0.321  -3.262
  173   1HG1  ILE  12          2HG1      ILE  12  -8.080  -2.727  -3.587
  174   2HG1  ILE  12          1HG1      ILE  12  -7.133  -2.411  -2.136
  175   1HG2  ILE  12          1HG2      ILE  12  -9.212  -0.729  -0.649
  176   2HG2  ILE  12          2HG2      ILE  12  -8.729   0.820  -1.338
  177   3HG2  ILE  12          3HG2      ILE  12  -7.501  -0.342  -0.835
  178   1HD1  ILE  12          1HD1      ILE  12  -8.683  -4.167  -1.678
  179   2HD1  ILE  12          2HD1      ILE  12 -10.030  -3.208  -2.285
  180   3HD1  ILE  12          3HD1      ILE  12  -9.206  -2.730  -0.796
  181    H    GLN  13           HN       GLN  13 -12.036   0.232  -2.445
  182    HA   GLN  13           HA       GLN  13 -11.279   3.055  -2.823
  183   1HB   GLN  13          2HB       GLN  13 -13.015   2.515  -4.425
  184   2HB   GLN  13          1HB       GLN  13 -13.977   1.725  -3.182
  185   1HG   GLN  13          2HG       GLN  13 -14.980   3.820  -3.617
  186   2HG   GLN  13          1HG       GLN  13 -14.187   3.945  -2.049
  187   1HE2  GLN  13          1HE2      GLN  13 -12.337   5.227  -1.850
  188   2HE2  GLN  13          2HE2      GLN  13 -11.905   6.403  -3.040
  189    H    ILE  14           HN       ILE  14 -10.652   3.539  -0.785
  190    HA   ILE  14           HA       ILE  14 -12.639   3.002   1.311
  191    HB   ILE  14           HB       ILE  14 -10.838   3.273   2.994
  192   1HG1  ILE  14          2HG1      ILE  14  -9.283   4.468   1.290
  193   2HG1  ILE  14          1HG1      ILE  14  -8.569   3.391   2.483
  194   1HG2  ILE  14          1HG2      ILE  14  -9.878   1.036   2.665
  195   2HG2  ILE  14          2HG2      ILE  14 -10.489   1.037   1.010
  196   3HG2  ILE  14          3HG2      ILE  14 -11.615   1.083   2.367
  197   1HD1  ILE  14          1HD1      ILE  14  -9.144   2.705  -0.389
  198   2HD1  ILE  14          2HD1      ILE  14  -8.423   1.629   0.805
  199   3HD1  ILE  14          3HD1      ILE  14  -7.566   3.084   0.297
  200    H    GLY  15           HN       GLY  15 -13.760   4.649   1.865
  201   1HA   GLY  15          2HA       GLY  15 -14.248   6.706   2.756
  202   2HA   GLY  15          1HA       GLY  15 -12.538   7.106   2.680
  203    H    ALA  16           HN       ALA  16 -11.700   7.414   0.456
  204    HA   ALA  16           HA       ALA  16 -13.064   8.198  -1.760
  205   1HB   ALA  16          1HB       ALA  16 -14.315   9.811  -0.402
  206   2HB   ALA  16          2HB       ALA  16 -13.285  10.640  -1.571
  207   3HB   ALA  16          3HB       ALA  16 -12.803  10.551   0.124
  208    H    ASP  17           HN       ASP  17 -10.525   8.694   0.502
  209    HA   ASP  17           HA       ASP  17  -8.811  10.305  -1.061
  210   1HB   ASP  17          2HB       ASP  17  -8.639  10.157   1.393
  211   2HB   ASP  17          1HB       ASP  17  -8.156   8.470   1.255
  212    H    ILE  18           HN       ILE  18  -8.994   6.791  -0.475
  213    HA   ILE  18           HA       ILE  18  -7.057   6.529  -2.673
  214    HB   ILE  18           HB       ILE  18  -7.266   4.843  -0.189
  215   1HG1  ILE  18          2HG1      ILE  18  -5.926   6.888  -0.016
  216   2HG1  ILE  18          1HG1      ILE  18  -4.899   5.460   0.055
  217   1HG2  ILE  18          1HG2      ILE  18  -7.030   3.341  -2.095
  218   2HG2  ILE  18          2HG2      ILE  18  -5.529   3.405  -1.170
  219   3HG2  ILE  18          3HG2      ILE  18  -5.664   4.288  -2.691
  220   1HD1  ILE  18          1HD1      ILE  18  -3.873   7.174  -1.296
  221   2HD1  ILE  18          2HD1      ILE  18  -5.301   7.252  -2.329
  222   3HD1  ILE  18          3HD1      ILE  18  -4.308   5.794  -2.304
  223    H    GLU  19           HN       GLU  19  -8.050   5.945  -4.385
  224    HA   GLU  19           HA       GLU  19  -9.628   3.461  -4.307
  225   1HB   GLU  19          2HB       GLU  19 -11.125   5.246  -4.960
  226   2HB   GLU  19          1HB       GLU  19  -9.955   5.861  -6.121
  227   1HG   GLU  19          2HG       GLU  19 -10.185   3.522  -7.211
  228   2HG   GLU  19          1HG       GLU  19 -11.681   3.431  -6.284
  229    H    VAL  20           HN       VAL  20  -8.330   1.869  -5.101
  230    HA   VAL  20           HA       VAL  20  -7.400   1.868  -7.728
  231    HB   VAL  20           HB       VAL  20  -5.792   3.563  -6.977
  232   1HG1  VAL  20          1HG1      VAL  20  -5.571   2.958  -4.647
  233   2HG1  VAL  20          2HG1      VAL  20  -3.986   2.984  -5.420
  234   3HG1  VAL  20          3HG1      VAL  20  -4.781   1.445  -5.088
  235   1HG2  VAL  20          1HG2      VAL  20  -5.154   2.080  -8.788
  236   2HG2  VAL  20          2HG2      VAL  20  -4.509   0.916  -7.631
  237   3HG2  VAL  20          3HG2      VAL  20  -3.750   2.498  -7.805
  238    H    LYS  21           HN       LYS  21  -7.080  -0.186  -8.321
  239    HA   LYS  21           HA       LYS  21  -5.562  -1.904  -6.510
  240   1HB   LYS  21          2HB       LYS  21  -8.115  -2.521  -7.831
  241   2HB   LYS  21          1HB       LYS  21  -6.860  -3.735  -8.039
  242   1HG   LYS  21          2HG       LYS  21  -6.605  -3.447  -5.441
  243   2HG   LYS  21          1HG       LYS  21  -8.270  -2.868  -5.575
  244   1HD   LYS  21          2HD       LYS  21  -8.788  -4.960  -6.859
  245   2HD   LYS  21          1HD       LYS  21  -7.171  -5.536  -6.444
  246   1HE   LYS  21          2HE       LYS  21  -8.854  -6.425  -4.920
  247   2HE   LYS  21          1HE       LYS  21  -7.716  -5.375  -4.076
  248   1HZ   LYS  21          1HZ       LYS  21 -10.129  -5.048  -3.514
  249   2HZ   LYS  21          2HZ       LYS  21 -10.331  -4.422  -5.078
  250   3HZ   LYS  21          3HZ       LYS  21  -9.296  -3.652  -3.994
  251    H    VAL  22           HN       VAL  22  -3.647  -1.545  -7.502
  252    HA   VAL  22           HA       VAL  22  -3.497  -2.485 -10.272
  253    HB   VAL  22           HB       VAL  22  -1.099  -1.782 -10.236
  254   1HG1  VAL  22          1HG1      VAL  22  -1.555   0.612 -10.434
  255   2HG1  VAL  22          2HG1      VAL  22  -3.098   0.390  -9.611
  256   3HG1  VAL  22          3HG1      VAL  22  -2.827  -0.350 -11.189
  257   1HG2  VAL  22          1HG2      VAL  22  -0.339  -0.242  -8.480
  258   2HG2  VAL  22          2HG2      VAL  22  -0.679  -1.850  -7.841
  259   3HG2  VAL  22          3HG2      VAL  22  -1.830  -0.538  -7.584
  260    H    ILE  23           HN       ILE  23  -3.330  -4.566 -10.459
  261    HA   ILE  23           HA       ILE  23  -2.459  -6.099  -8.150
  262    HB   ILE  23           HB       ILE  23  -3.797  -6.961 -10.715
  263   1HG1  ILE  23          2HG1      ILE  23  -5.139  -5.557  -9.116
  264   2HG1  ILE  23          1HG1      ILE  23  -5.802  -7.164  -9.395
  265   1HG2  ILE  23          1HG2      ILE  23  -4.134  -9.126  -9.627
  266   2HG2  ILE  23          2HG2      ILE  23  -3.182  -8.582  -8.246
  267   3HG2  ILE  23          3HG2      ILE  23  -2.421  -8.765  -9.827
  268   1HD1  ILE  23          1HD1      ILE  23  -4.860  -7.913  -7.271
  269   2HD1  ILE  23          2HD1      ILE  23  -5.942  -6.536  -7.056
  270   3HD1  ILE  23          3HD1      ILE  23  -4.194  -6.303  -7.001
  271    H    ALA  24           HN       ALA  24  -0.698  -7.291  -8.039
  272    HA   ALA  24           HA       ALA  24   0.957  -7.585 -10.459
  273   1HB   ALA  24          1HB       ALA  24   2.949  -7.346  -9.055
  274   2HB   ALA  24          2HB       ALA  24   1.926  -7.065  -7.646
  275   3HB   ALA  24          3HB       ALA  24   1.938  -5.903  -8.972
  276    H    VAL  25           HN       VAL  25   2.216  -9.509 -10.530
  277    HA   VAL  25           HA       VAL  25   0.852 -11.671  -9.164
  278    HB   VAL  25           HB       VAL  25   1.088 -11.970 -11.536
  279   1HG1  VAL  25          1HG1      VAL  25   4.059 -11.712 -11.134
  280   2HG1  VAL  25          2HG1      VAL  25   3.010 -10.538 -11.931
  281   3HG1  VAL  25          3HG1      VAL  25   3.256 -12.132 -12.647
  282   1HG2  VAL  25          1HG2      VAL  25   2.999 -13.789 -10.077
  283   2HG2  VAL  25          2HG2      VAL  25   2.229 -14.129 -11.628
  284   3HG2  VAL  25          3HG2      VAL  25   1.249 -13.981 -10.169
  285    H    GLU  26           HN       GLU  26   1.569 -12.537  -7.443
  286    HA   GLU  26           HA       GLU  26   4.186 -11.845  -6.393
  287   1HB   GLU  26          2HB       GLU  26   1.987 -11.655  -5.136
  288   2HB   GLU  26          1HB       GLU  26   1.939 -13.412  -5.120
  289   1HG   GLU  26          2HG       GLU  26   2.708 -12.465  -3.010
  290   2HG   GLU  26          1HG       GLU  26   3.933 -13.492  -3.764
  291    H    GLY  27           HN       GLY  27   3.865 -13.735  -8.596
  292   1HA   GLY  27          2HA       GLY  27   5.111 -15.669  -9.138
  293   2HA   GLY  27          1HA       GLY  27   5.151 -16.090  -7.428
  294    H    ASP  28           HN       ASP  28   2.819 -16.389  -6.514
  295    HA   ASP  28           HA       ASP  28   1.119 -17.752  -8.479
  296   1HB   ASP  28          2HB       ASP  28   2.286 -19.520  -7.339
  297   2HB   ASP  28          1HB       ASP  28   1.971 -18.791  -5.771
  298    H    GLN  29           HN       GLN  29   1.379 -15.325  -6.376
  299    HA   GLN  29           HA       GLN  29  -1.413 -15.494  -5.465
  300   1HB   GLN  29          2HB       GLN  29   0.190 -15.554  -3.621
  301   2HB   GLN  29          1HB       GLN  29   0.949 -14.085  -4.216
  302   1HG   GLN  29          2HG       GLN  29  -1.098 -12.843  -3.788
  303   2HG   GLN  29          1HG       GLN  29  -1.864 -14.314  -3.199
  304   1HE2  GLN  29          1HE2      GLN  29   0.439 -11.828  -2.542
  305   2HE2  GLN  29          2HE2      GLN  29   0.631 -12.185  -0.867
  306    H    VAL  30           HN       VAL  30  -2.688 -13.604  -5.606
  307    HA   VAL  30           HA       VAL  30  -1.535 -11.494  -7.294
  308    HB   VAL  30           HB       VAL  30  -3.839 -10.874  -7.928
  309   1HG1  VAL  30          1HG1      VAL  30  -4.332 -12.879  -9.322
  310   2HG1  VAL  30          2HG1      VAL  30  -3.076 -13.746  -8.434
  311   3HG1  VAL  30          3HG1      VAL  30  -2.655 -12.341  -9.413
  312   1HG2  VAL  30          1HG2      VAL  30  -4.646 -13.335  -6.384
  313   2HG2  VAL  30          2HG2      VAL  30  -5.706 -12.368  -7.413
  314   3HG2  VAL  30          3HG2      VAL  30  -5.012 -11.664  -5.950
  315    H    LYS  31           HN       LYS  31  -1.265  -9.582  -6.478
  316    HA   LYS  31           HA       LYS  31  -2.693  -8.876  -4.021
  317   1HB   LYS  31          2HB       LYS  31  -0.700  -8.372  -2.869
  318   2HB   LYS  31          1HB       LYS  31  -0.360  -9.895  -3.683
  319   1HG   LYS  31          2HG       LYS  31   0.679  -8.519  -5.532
  320   2HG   LYS  31          1HG       LYS  31   0.539  -7.133  -4.455
  321   1HD   LYS  31          2HD       LYS  31   2.091  -9.663  -3.939
  322   2HD   LYS  31          1HD       LYS  31   2.763  -8.078  -4.321
  323   1HE   LYS  31          2HE       LYS  31   1.608  -7.236  -2.235
  324   2HE   LYS  31          1HE       LYS  31   1.292  -8.927  -1.839
  325   1HZ   LYS  31          1HZ       LYS  31   3.718  -9.314  -1.992
  326   2HZ   LYS  31          2HZ       LYS  31   3.295  -8.249  -0.745
  327   3HZ   LYS  31          3HZ       LYS  31   3.952  -7.647  -2.181
  328    H    LEU  32           HN       LEU  32  -2.926  -6.607  -3.707
  329    HA   LEU  32           HA       LEU  32  -2.669  -5.085  -6.209
  330   1HB   LEU  32          2HB       LEU  32  -4.269  -3.521  -5.208
  331   2HB   LEU  32          1HB       LEU  32  -4.933  -5.136  -5.323
  332    HG   LEU  32           HG       LEU  32  -3.679  -4.849  -2.774
  333   1HD1  LEU  32          1HD1      LEU  32  -3.915  -2.452  -3.080
  334   2HD1  LEU  32          2HD1      LEU  32  -5.009  -3.037  -1.829
  335   3HD1  LEU  32          3HD1      LEU  32  -5.631  -2.653  -3.434
  336   1HD2  LEU  32          1HD2      LEU  32  -5.946  -5.312  -1.956
  337   2HD2  LEU  32          2HD2      LEU  32  -5.472  -6.399  -3.262
  338   3HD2  LEU  32          3HD2      LEU  32  -6.574  -5.060  -3.585
  339    H    GLY  33           HN       GLY  33  -2.137  -2.783  -5.991
  340   1HA   GLY  33          2HA       GLY  33  -0.479  -2.214  -3.624
  341   2HA   GLY  33          1HA       GLY  33   0.097  -1.852  -5.246
  342    H    ILE  34           HN       ILE  34  -0.901  -0.317  -2.678
  343    HA   ILE  34           HA       ILE  34  -2.463   1.638  -4.202
  344    HB   ILE  34           HB       ILE  34  -2.967   2.797  -2.143
  345   1HG1  ILE  34          2HG1      ILE  34  -0.787   2.309  -1.009
  346   2HG1  ILE  34          1HG1      ILE  34  -2.189   2.124   0.039
  347   1HG2  ILE  34          1HG2      ILE  34  -4.308   1.108  -1.005
  348   2HG2  ILE  34          2HG2      ILE  34  -3.416  -0.163  -1.842
  349   3HG2  ILE  34          3HG2      ILE  34  -4.420   0.962  -2.759
  350   1HD1  ILE  34          1HD1      ILE  34  -2.094  -0.272  -0.248
  351   2HD1  ILE  34          2HD1      ILE  34  -0.588   0.377   0.400
  352   3HD1  ILE  34          3HD1      ILE  34  -0.690  -0.087  -1.298
  353    H    ASP  35           HN       ASP  35  -1.230   2.966  -5.308
  354    HA   ASP  35           HA       ASP  35   1.130   4.049  -3.956
  355   1HB   ASP  35          2HB       ASP  35   2.023   2.603  -5.612
  356   2HB   ASP  35          1HB       ASP  35   0.872   3.151  -6.818
  357    H    ALA  36           HN       ALA  36   1.185   6.133  -3.809
  358    HA   ALA  36           HA       ALA  36  -0.501   7.798  -5.522
  359   1HB   ALA  36          1HB       ALA  36  -0.554   7.840  -2.500
  360   2HB   ALA  36          2HB       ALA  36  -1.853   7.281  -3.552
  361   3HB   ALA  36          3HB       ALA  36  -1.385   8.982  -3.555
  362    HA   PRO  37           HA       PRO  37   3.002  10.464  -5.522
  363   1HB   PRO  37          2HB       PRO  37   1.868  12.927  -5.665
  364   2HB   PRO  37          1HB       PRO  37   1.860  11.790  -7.019
  365   1HG   PRO  37          2HG       PRO  37  -0.295  12.357  -5.007
  366   2HG   PRO  37          1HG       PRO  37  -0.429  12.191  -6.769
  367   1HD   PRO  37          2HD       PRO  37  -1.068  10.187  -5.094
  368   2HD   PRO  37          1HD       PRO  37  -0.334   9.880  -6.684
  369    H    LYS  38           HN       LYS  38   1.991   9.692  -2.860
  370    HA   LYS  38           HA       LYS  38   2.398  10.135  -0.682
  371   1HB   LYS  38          2HB       LYS  38   4.466  11.536  -2.190
  372   2HB   LYS  38          1HB       LYS  38   4.249  12.113  -0.544
  373   1HG   LYS  38          2HG       LYS  38   4.530   9.204  -1.136
  374   2HG   LYS  38          1HG       LYS  38   5.948  10.247  -0.999
  375   1HD   LYS  38          2HD       LYS  38   3.857  10.320   1.128
  376   2HD   LYS  38          1HD       LYS  38   5.007   8.981   1.091
  377   1HE   LYS  38          2HE       LYS  38   6.005  10.560   2.500
  378   2HE   LYS  38          1HE       LYS  38   6.827  10.757   0.952
  379   1HZ   LYS  38          1HZ       LYS  38   6.222  12.886   2.001
  380   2HZ   LYS  38          2HZ       LYS  38   4.583  12.466   1.897
  381   3HZ   LYS  38          3HZ       LYS  38   5.497  12.688   0.481
  382    H    HIS  39           HN       HIS  39   0.292  11.608  -2.013
  383    HA   HIS  39           HA       HIS  39  -0.089  14.130  -0.874
  384   1HB   HIS  39          2HB       HIS  39  -2.439  13.776  -1.263
  385   2HB   HIS  39          1HB       HIS  39  -1.574  12.982  -2.580
  386    HD1  HIS  39           1HD      HIS  39  -0.829  10.385  -1.034
  387    HD2  HIS  39           2HD      HIS  39  -4.605  12.078  -1.040
  388    HE1  HIS  39           1HE      HIS  39  -2.369   8.561  -0.357
  389    HE2  HIS  39           2HE      HIS  39  -4.640   9.649  -0.184
  390    H    ILE  40           HN       ILE  40  -2.211  14.117   0.769
  391    HA   ILE  40           HA       ILE  40  -1.177  13.184   3.271
  392    HB   ILE  40           HB       ILE  40  -3.072  14.283   4.299
  393   1HG1  ILE  40          2HG1      ILE  40  -4.603  13.623   2.281
  394   2HG1  ILE  40          1HG1      ILE  40  -4.955  15.090   3.193
  395   1HG2  ILE  40          1HG2      ILE  40  -2.678  16.589   3.548
  396   2HG2  ILE  40          2HG2      ILE  40  -1.836  15.964   2.128
  397   3HG2  ILE  40          3HG2      ILE  40  -1.183  15.673   3.740
  398   1HD1  ILE  40          1HD1      ILE  40  -3.657  14.866   0.489
  399   2HD1  ILE  40          2HD1      ILE  40  -3.726  16.363   1.415
  400   3HD1  ILE  40          3HD1      ILE  40  -5.218  15.583   0.889
  401    H    ASP  41           HN       ASP  41  -2.318  11.851   4.708
  402    HA   ASP  41           HA       ASP  41  -3.885   9.821   3.302
  403   1HB   ASP  41          2HB       ASP  41  -3.238   8.371   5.295
  404   2HB   ASP  41          1HB       ASP  41  -1.894   8.963   4.310
  405    H    ILE  42           HN       ILE  42  -5.954  10.317   3.406
  406    HA   ILE  42           HA       ILE  42  -7.042  11.732   5.704
  407    HB   ILE  42           HB       ILE  42  -8.439  10.916   3.149
  408   1HG1  ILE  42          2HG1      ILE  42  -7.073  13.522   3.848
  409   2HG1  ILE  42          1HG1      ILE  42  -6.459  12.317   2.722
  410   1HG2  ILE  42          1HG2      ILE  42  -9.931  11.474   5.016
  411   2HG2  ILE  42          2HG2      ILE  42 -10.033  12.666   3.721
  412   3HG2  ILE  42          3HG2      ILE  42  -9.126  13.032   5.188
  413   1HD1  ILE  42          1HD1      ILE  42  -9.023  13.862   2.394
  414   2HD1  ILE  42          2HD1      ILE  42  -8.351  12.696   1.251
  415   3HD1  ILE  42          3HD1      ILE  42  -7.499  14.206   1.577
  416    H    HIS  43           HN       HIS  43  -8.598  10.932   7.079
  417    HA   HIS  43           HA       HIS  43  -9.627   8.225   6.584
  418   1HB   HIS  43          2HB       HIS  43  -8.645   8.971   9.330
  419   2HB   HIS  43          1HB       HIS  43  -9.047   7.376   8.697
  420    HD1  HIS  43           1HD      HIS  43  -6.241   9.279   9.634
  421    HD2  HIS  43           2HD      HIS  43  -7.091   6.786   6.414
  422    HE1  HIS  43           1HE      HIS  43  -4.009   8.574   8.716
  423    HE2  HIS  43           2HE      HIS  43  -4.551   7.266   6.644
  424    H    ARG  44           HN       ARG  44 -11.410   7.687   8.104
  425    HA   ARG  44           HA       ARG  44 -12.914  10.107   8.838
  426   1HB   ARG  44          2HB       ARG  44 -13.983   8.578   7.181
  427   2HB   ARG  44          1HB       ARG  44 -13.954   7.301   8.386
  428   1HG   ARG  44          2HG       ARG  44 -16.127   8.120   8.465
  429   2HG   ARG  44          1HG       ARG  44 -15.330   8.876   9.844
  430   1HD   ARG  44          2HD       ARG  44 -15.693  10.190   7.154
  431   2HD   ARG  44          1HD       ARG  44 -16.787  10.405   8.517
  432    HE   ARG  44           HE       ARG  44 -14.537  11.172   9.645
  433   1HH1  ARG  44          1HH1      ARG  44 -15.683  11.855   6.408
  434   2HH1  ARG  44          2HH1      ARG  44 -14.935  13.419   6.340
  435   1HH2  ARG  44          1HH2      ARG  44 -13.554  13.243   9.562
  436   2HH2  ARG  44          2HH2      ARG  44 -13.731  14.214   8.124
  437    H    LYS  45           HN       LYS  45 -12.685   6.701   9.886
  438    HA   LYS  45           HA       LYS  45 -12.236   7.594  12.645
  439   1HB   LYS  45          2HB       LYS  45 -14.345   5.569  11.858
  440   2HB   LYS  45          1HB       LYS  45 -13.894   5.992  13.501
  441   1HG   LYS  45          2HG       LYS  45 -14.666   8.300  13.077
  442   2HG   LYS  45          1HG       LYS  45 -15.205   7.790  11.477
  443   1HD   LYS  45          2HD       LYS  45 -16.178   6.675  14.104
  444   2HD   LYS  45          1HD       LYS  45 -17.048   7.826  13.090
  445   1HE   LYS  45          2HE       LYS  45 -17.105   6.169  11.281
  446   2HE   LYS  45          1HE       LYS  45 -16.261   5.020  12.318
  447   1HZ   LYS  45          1HZ       LYS  45 -18.657   4.647  12.298
  448   2HZ   LYS  45          2HZ       LYS  45 -18.923   6.212  12.897
  449   3HZ   LYS  45          3HZ       LYS  45 -18.115   5.065  13.850
  450    H    GLU  46           HN       GLU  46 -10.596   6.489  13.519
  451    HA   GLU  46           HA       GLU  46  -9.083   4.859  13.993
  452   1HB   GLU  46          2HB       GLU  46 -11.292   3.084  12.945
  453   2HB   GLU  46          1HB       GLU  46  -9.887   2.516  13.838
  454   1HG   GLU  46          2HG       GLU  46 -10.589   3.547  15.818
  455   2HG   GLU  46          1HG       GLU  46 -11.758   4.563  14.975
  456    H    ILE  47           HN       ILE  47  -8.939   6.122  11.441
  457    HA   ILE  47           HA       ILE  47  -8.128   6.037   9.353
  458    HB   ILE  47           HB       ILE  47  -6.044   4.984   8.965
  459   1HG1  ILE  47          2HG1      ILE  47  -6.506   3.340  11.466
  460   2HG1  ILE  47          1HG1      ILE  47  -6.534   2.727   9.815
  461   1HG2  ILE  47          1HG2      ILE  47  -4.760   5.750  10.917
  462   2HG2  ILE  47          2HG2      ILE  47  -6.258   5.858  11.841
  463   3HG2  ILE  47          3HG2      ILE  47  -6.008   6.900  10.440
  464   1HD1  ILE  47          1HD1      ILE  47  -4.447   2.181  10.902
  465   2HD1  ILE  47          2HD1      ILE  47  -4.149   3.886  11.240
  466   3HD1  ILE  47          3HD1      ILE  47  -4.168   3.309   9.573
  467    H    TYR  48           HN       TYR  48  -9.257   5.433   7.702
  468    HA   TYR  48           HA       TYR  48 -10.267   2.751   7.547
  469   1HB   TYR  48          2HB       TYR  48 -11.611   3.539   5.678
  470   2HB   TYR  48          1HB       TYR  48 -11.731   4.603   7.066
  471    HD1  TYR  48           1HD      TYR  48  -9.089   4.613   4.422
  472    HD2  TYR  48           2HD      TYR  48 -12.425   6.568   6.180
  473    HE1  TYR  48           1HE      TYR  48  -8.736   6.542   2.941
  474    HE2  TYR  48           2HE      TYR  48 -12.074   8.507   4.723
  475    HH   TYR  48           HH       TYR  48 -10.157   9.528   3.438
  476    H    LEU  49           HN       LEU  49  -7.470   4.181   6.616
  477    HA   LEU  49           HA       LEU  49  -7.132   2.723   4.124
  478   1HB   LEU  49          2HB       LEU  49  -5.702   4.896   5.545
  479   2HB   LEU  49          1HB       LEU  49  -4.736   3.847   4.524
  480    HG   LEU  49           HG       LEU  49  -7.223   5.137   3.453
  481   1HD1  LEU  49          1HD1      LEU  49  -5.856   6.976   2.635
  482   2HD1  LEU  49          2HD1      LEU  49  -4.456   6.333   3.495
  483   3HD1  LEU  49          3HD1      LEU  49  -5.850   6.929   4.397
  484   1HD2  LEU  49          1HD2      LEU  49  -6.206   3.314   2.200
  485   2HD2  LEU  49          2HD2      LEU  49  -4.657   4.161   2.214
  486   3HD2  LEU  49          3HD2      LEU  49  -6.031   4.848   1.345
  487    H    THR  50           HN       THR  50  -4.756   3.166   6.682
  488    HA   THR  50           HA       THR  50  -3.450   1.753   7.835
  489    HB   THR  50           HB       THR  50  -5.813   0.209   7.498
  490    HG1  THR  50           1HG      THR  50  -3.669  -0.286   9.306
  491   1HG2  THR  50          1HG2      THR  50  -4.912  -2.074   7.618
  492   2HG2  THR  50          2HG2      THR  50  -3.295  -1.450   7.292
  493   3HG2  THR  50          3HG2      THR  50  -4.555  -1.317   6.065
  494    H    ILE  51           HN       ILE  51  -4.186   0.954   4.548
  495    HA   ILE  51           HA       ILE  51  -1.893  -0.687   4.137
  496    HB   ILE  51           HB       ILE  51  -2.844   0.702   1.750
  497   1HG1  ILE  51          2HG1      ILE  51  -4.776  -1.089   3.233
  498   2HG1  ILE  51          1HG1      ILE  51  -4.915   0.658   3.145
  499   1HG2  ILE  51          1HG2      ILE  51  -2.697  -2.200   2.588
  500   2HG2  ILE  51          2HG2      ILE  51  -1.447  -1.304   1.725
  501   3HG2  ILE  51          3HG2      ILE  51  -2.999  -1.624   0.948
  502   1HD1  ILE  51          1HD1      ILE  51  -5.035  -1.246   0.826
  503   2HD1  ILE  51          2HD1      ILE  51  -5.146   0.513   0.717
  504   3HD1  ILE  51          3HD1      ILE  51  -6.399  -0.401   1.560
  505    H    GLN  52           HN       GLN  52  -2.619   2.563   2.772
  506    HA   GLN  52           HA       GLN  52   0.144   3.098   2.362
  507   1HB   GLN  52          2HB       GLN  52  -0.407   5.062   1.419
  508   2HB   GLN  52          1HB       GLN  52  -1.917   4.184   1.196
  509   1HG   GLN  52          2HG       GLN  52  -2.969   5.383   2.918
  510   2HG   GLN  52          1HG       GLN  52  -1.430   5.994   3.537
  511   1HE2  GLN  52          1HE2      GLN  52  -3.662   7.591   2.783
  512   2HE2  GLN  52          2HE2      GLN  52  -3.156   8.545   1.460
  513    H    GLU  53           HN       GLU  53  -1.942   3.343   5.037
  514    HA   GLU  53           HA       GLU  53  -0.546   5.370   6.460
  515   1HB   GLU  53          2HB       GLU  53  -2.862   4.770   6.990
  516   2HB   GLU  53          1HB       GLU  53  -2.348   3.152   7.450
  517   1HG   GLU  53          2HG       GLU  53  -2.703   4.406   9.433
  518   2HG   GLU  53          1HG       GLU  53  -0.974   4.161   9.233
  519    H    GLU  54           HN       GLU  54  -0.373   1.847   6.342
  520    HA   GLU  54           HA       GLU  54   1.650   1.481   8.257
  521   1HB   GLU  54          2HB       GLU  54   0.455  -0.062   6.047
  522   2HB   GLU  54          1HB       GLU  54   2.103  -0.532   6.484
  523   1HG   GLU  54          2HG       GLU  54   1.392  -0.798   8.821
  524   2HG   GLU  54          1HG       GLU  54  -0.247  -0.346   8.366
  525    H    ASN  55           HN       ASN  55   1.755   2.052   4.790
  526    HA   ASN  55           HA       ASN  55   4.653   2.162   4.785
  527   1HB   ASN  55          2HB       ASN  55   3.267   1.255   2.873
  528   2HB   ASN  55          1HB       ASN  55   2.733   2.905   2.582
  529   1HD2  ASN  55          1HD2      ASN  55   4.274   0.984   0.959
  530   2HD2  ASN  55          2HD2      ASN  55   5.709   1.833   0.491
  531    H    ASN  56           HN       ASN  56   3.130   4.401   2.775
  532    HA   ASN  56           HA       ASN  56   2.985   6.661   2.638
  533   1HB   ASN  56          2HB       ASN  56   1.628   6.338   4.675
  534   2HB   ASN  56          1HB       ASN  56   3.082   6.568   5.649
  535   1HD2  ASN  56          1HD2      ASN  56   2.350   8.354   6.700
  536   2HD2  ASN  56          2HD2      ASN  56   2.104   9.880   5.919
  537    H    ARG  57           HN       ARG  57   5.588   5.178   4.157
  538    HA   ARG  57           HA       ARG  57   7.620   7.000   3.667
  539   1HB   ARG  57          2HB       ARG  57   7.905   7.769   6.119
  540   2HB   ARG  57          1HB       ARG  57   6.692   8.594   5.147
  541   1HG   ARG  57          2HG       ARG  57   5.386   8.216   6.937
  542   2HG   ARG  57          1HG       ARG  57   5.181   6.631   6.184
  543   1HD   ARG  57          2HD       ARG  57   5.650   6.285   8.491
  544   2HD   ARG  57          1HD       ARG  57   7.077   5.805   7.575
  545    HE   ARG  57           HE       ARG  57   8.212   7.726   8.372
  546   1HH1  ARG  57          1HH1      ARG  57   4.983   7.388   9.679
  547   2HH1  ARG  57          2HH1      ARG  57   5.275   8.417  11.046
  548   1HH2  ARG  57          1HH2      ARG  57   8.622   9.066  10.185
  549   2HH2  ARG  57          2HH2      ARG  57   7.337   9.411  11.313
  550    H    ALA  58           HN       ALA  58   6.182   4.635   5.794
  551    HA   ALA  58           HA       ALA  58   8.796   3.382   6.224
  552   1HB   ALA  58          1HB       ALA  58   7.759   2.180   8.074
  553   2HB   ALA  58          2HB       ALA  58   6.201   2.917   7.693
  554   3HB   ALA  58          3HB       ALA  58   7.537   3.921   8.261
  555    H    ALA  59           HN       ALA  59   8.293   2.919   3.833
  556    HA   ALA  59           HA       ALA  59   6.517   0.946   3.011
  557   1HB   ALA  59          1HB       ALA  59   8.044   0.585   1.130
  558   2HB   ALA  59          2HB       ALA  59   9.297   1.498   1.972
  559   3HB   ALA  59          3HB       ALA  59   7.816   2.303   1.456
  560    H    ALA  60           HN       ALA  60   7.051  -1.275   2.326
  561    HA   ALA  60           HA       ALA  60   7.624  -2.931   4.442
  562   1HB   ALA  60          1HB       ALA  60   7.970  -3.545   1.509
  563   2HB   ALA  60          2HB       ALA  60   6.468  -3.671   2.425
  564   3HB   ALA  60          3HB       ALA  60   7.824  -4.736   2.801
  565    H    LEU  61           HN       LEU  61   9.425  -3.013   5.583
  566    HA   LEU  61           HA       LEU  61  11.988  -2.497   4.297
  567   1HB   LEU  61          2HB       LEU  61  11.314  -1.260   6.349
  568   2HB   LEU  61          1HB       LEU  61  11.310  -2.778   7.226
  569    HG   LEU  61           HG       LEU  61  13.736  -3.017   6.755
  570   1HD1  LEU  61          1HD1      LEU  61  13.825  -1.676   4.716
  571   2HD1  LEU  61          2HD1      LEU  61  14.977  -1.091   5.916
  572   3HD1  LEU  61          3HD1      LEU  61  13.465  -0.225   5.650
  573   1HD2  LEU  61          1HD2      LEU  61  12.947  -2.052   8.860
  574   2HD2  LEU  61          2HD2      LEU  61  12.944  -0.448   8.125
  575   3HD2  LEU  61          3HD2      LEU  61  14.463  -1.316   8.344
  576    H    SER  62           HN       SER  62  13.745  -3.859   4.486
  577    HA   SER  62           HA       SER  62  14.844  -5.823   4.389
  578   1HB   SER  62          2HB       SER  62  12.938  -6.549   6.615
  579   2HB   SER  62          1HB       SER  62  14.442  -7.386   6.239
  580    HG   SER  62           HG       SER  62  14.058  -5.214   7.752
  581    H    SER  63           HN       SER  63  14.080  -8.450   4.663
  582    HA   SER  63           HA       SER  63  11.933  -8.748   2.693
  583   1HB   SER  63          2HB       SER  63  14.240 -10.613   3.295
  584   2HB   SER  63          1HB       SER  63  12.995 -10.878   2.075
  585    HG   SER  63           HG       SER  63  13.729  -8.793   1.175
  586    H    ASP  64           HN       ASP  64  11.797  -8.454   5.630
  587    HA   ASP  64           HA       ASP  64  10.900 -11.126   6.448
  588   1HB   ASP  64          2HB       ASP  64  12.670  -9.763   7.776
  589   2HB   ASP  64          1HB       ASP  64  11.307  -8.788   8.308
  590    H    VAL  65           HN       VAL  65   9.423  -9.467   4.738
  591    HA   VAL  65           HA       VAL  65   7.158  -8.526   6.323
  592    HB   VAL  65           HB       VAL  65   7.808  -8.396   3.394
  593   1HG1  VAL  65          1HG1      VAL  65   5.386  -8.520   3.681
  594   2HG1  VAL  65          2HG1      VAL  65   5.860  -6.898   3.174
  595   3HG1  VAL  65          3HG1      VAL  65   5.445  -7.209   4.859
  596   1HG2  VAL  65          1HG2      VAL  65   8.046  -5.979   3.800
  597   2HG2  VAL  65          2HG2      VAL  65   9.188  -6.939   4.744
  598   3HG2  VAL  65          3HG2      VAL  65   7.756  -6.261   5.517
  599    H    ILE  66           HN       ILE  66   8.057 -10.864   3.852
  600    HA   ILE  66           HA       ILE  66   7.400 -13.022   3.581
  601    HB   ILE  66           HB       ILE  66   5.273 -12.501   5.668
  602   1HG1  ILE  66          2HG1      ILE  66   7.555 -12.159   6.517
  603   2HG1  ILE  66          1HG1      ILE  66   6.818 -13.596   7.226
  604   1HG2  ILE  66          1HG2      ILE  66   4.754 -14.411   4.240
  605   2HG2  ILE  66          2HG2      ILE  66   5.179 -14.936   5.870
  606   3HG2  ILE  66          3HG2      ILE  66   6.350 -15.093   4.560
  607   1HD1  ILE  66          1HD1      ILE  66   9.140 -14.002   6.669
  608   2HD1  ILE  66          2HD1      ILE  66   8.840 -13.545   4.992
  609   3HD1  ILE  66          3HD1      ILE  66   8.089 -14.995   5.659
  610    H    SER  67           HN       SER  67   5.020 -10.479   3.552
  611    HA   SER  67           HA       SER  67   3.536  -9.842   1.957
  612   1HB   SER  67          2HB       SER  67   5.106 -10.698   0.263
  613   2HB   SER  67          1HB       SER  67   4.408 -12.307   0.431
  614    HG   SER  67           HG       SER  67   3.585 -11.075  -1.363
  615    H    ALA  68           HN       ALA  68   3.439 -13.390   2.320
  616    HA   ALA  68           HA       ALA  68   0.528 -13.322   2.474
  617   1HB   ALA  68          1HB       ALA  68   2.433 -15.657   2.691
  618   2HB   ALA  68          2HB       ALA  68   1.623 -15.127   1.217
  619   3HB   ALA  68          3HB       ALA  68   0.677 -15.754   2.567
  620    H    LEU  69           HN       LEU  69  -0.479 -12.994   4.315
  621    HA   LEU  69           HA       LEU  69  -1.072 -13.023   6.499
  622   1HB   LEU  69          2HB       LEU  69   1.255 -14.898   6.945
  623   2HB   LEU  69          1HB       LEU  69  -0.091 -14.624   8.036
  624    HG   LEU  69           HG       LEU  69  -0.351 -15.834   5.281
  625   1HD1  LEU  69          1HD1      LEU  69  -0.309 -17.164   7.991
  626   2HD1  LEU  69          2HD1      LEU  69   0.926 -17.305   6.739
  627   3HD1  LEU  69          3HD1      LEU  69  -0.690 -17.956   6.463
  628   1HD2  LEU  69          1HD2      LEU  69  -2.308 -15.631   7.568
  629   2HD2  LEU  69          2HD2      LEU  69  -2.588 -16.442   6.027
  630   3HD2  LEU  69          3HD2      LEU  69  -2.358 -14.694   6.074
  631    H    SER  70           HN       SER  70   2.452 -12.951   6.149
  632    HA   SER  70           HA       SER  70   4.039 -11.487   6.795
  633   1HB   SER  70          2HB       SER  70   2.332  -9.763   6.046
  634   2HB   SER  70          1HB       SER  70   1.860  -9.618   7.739
  635    HG   SER  70           HG       SER  70   4.537  -9.298   6.861
  636    H    SER  71           HN       SER  71   1.497 -10.954   9.256
  637    HA   SER  71           HA       SER  71   3.414 -11.569  11.341
  638   1HB   SER  71          2HB       SER  71   0.446 -11.001  11.594
  639   2HB   SER  71          1HB       SER  71   1.636 -10.989  12.896
  640    HG   SER  71           HG       SER  71   1.071  -8.876  12.016
  641    H    GLN  72           HN       GLN  72   3.818 -13.728  10.583
  642    HA   GLN  72           HA       GLN  72   1.617 -15.609  11.120
  643   1HB   GLN  72          2HB       GLN  72   2.690 -17.111   9.455
  644   2HB   GLN  72          1HB       GLN  72   2.119 -15.602   8.759
  645   1HG   GLN  72          2HG       GLN  72   4.316 -14.734   8.604
  646   2HG   GLN  72          1HG       GLN  72   4.971 -16.039   9.596
  647   1HE2  GLN  72          1HE2      GLN  72   2.610 -16.482   7.047
  648   2HE2  GLN  72          2HE2      GLN  72   3.652 -17.347   5.969
  649    H    LYS  73           HN       LYS  73   1.942 -17.000  12.706
  650    HA   LYS  73           HA       LYS  73   4.526 -17.400  13.883
  651   1HB   LYS  73          2HB       LYS  73   3.455 -18.865  15.433
  652   2HB   LYS  73          1HB       LYS  73   2.344 -17.534  15.160
  653   1HG   LYS  73          2HG       LYS  73   2.133 -20.217  13.813
  654   2HG   LYS  73          1HG       LYS  73   1.272 -19.769  15.283
  655   1HD   LYS  73          2HD       LYS  73   0.144 -17.972  14.078
  656   2HD   LYS  73          1HD       LYS  73   1.028 -18.395  12.610
  657   1HE   LYS  73          2HE       LYS  73  -0.895 -20.187  14.094
  658   2HE   LYS  73          1HE       LYS  73  -1.249 -19.318  12.602
  659   1HZ   LYS  73          1HZ       LYS  73  -0.648 -21.689  12.280
  660   2HZ   LYS  73          2HZ       LYS  73   0.906 -21.351  12.867
  661   3HZ   LYS  73          3HZ       LYS  73   0.362 -20.617  11.441
  662    H    LYS  74           HN       LYS  74   5.763 -19.350  13.805
  663    HA   LYS  74           HA       LYS  74   5.619 -20.501  11.164
  664   1HB   LYS  74          2HB       LYS  74   7.670 -20.810  13.343
  665   2HB   LYS  74          1HB       LYS  74   7.799 -21.529  11.739
  666   1HG   LYS  74          2HG       LYS  74   7.463 -18.601  12.229
  667   2HG   LYS  74          1HG       LYS  74   9.036 -19.375  12.028
  668   1HD   LYS  74          2HD       LYS  74   8.313 -20.131   9.786
  669   2HD   LYS  74          1HD       LYS  74   6.783 -19.281  10.016
  670   1HE   LYS  74          2HE       LYS  74   8.089 -17.177  10.334
  671   2HE   LYS  74          1HE       LYS  74   9.542 -18.070   9.890
  672   1HZ   LYS  74          1HZ       LYS  74   8.803 -17.002   7.951
  673   2HZ   LYS  74          2HZ       LYS  74   7.188 -17.457   8.194
  674   3HZ   LYS  74          3HZ       LYS  74   8.339 -18.622   7.759
  Start of MODEL    3
    1    H    HIS  -9           H        HIS  -9   9.108  19.323 -21.991
    2    HA   HIS  -9           HA       HIS  -9   8.139  17.270 -22.654
    3   1HB   HIS  -9          2HB       HIS  -9   9.546  15.459 -23.591
    4   2HB   HIS  -9          1HB       HIS  -9   9.415  16.832 -24.678
    5    HD1  HIS  -9           1HD      HIS  -9  11.835  14.594 -23.186
    6    HD2  HIS  -9           2HD      HIS  -9  11.860  18.503 -24.612
    7    HE1  HIS  -9           1HE      HIS  -9  14.250  15.161 -23.569
    8    HE2  HIS  -9           2HE      HIS  -9  14.253  17.596 -24.205
    9    H    SER  -8           HN       SER  -8   7.757  16.787 -20.602
   10    HA   SER  -8           HA       SER  -8   9.974  15.725 -19.001
   11   1HB   SER  -8          2HB       SER  -8   7.948  17.703 -17.931
   12   2HB   SER  -8          1HB       SER  -8   9.324  17.020 -17.063
   13    HG   SER  -8           HG       SER  -8   9.297  18.908 -19.163
   14    H    SER  -7           HN       SER  -7   9.233  13.642 -19.136
   15    HA   SER  -7           HA       SER  -7   6.859  13.094 -17.506
   16   1HB   SER  -7          2HB       SER  -7   6.244  12.854 -19.927
   17   2HB   SER  -7          1HB       SER  -7   7.485  11.614 -20.080
   18    HG   SER  -7           HG       SER  -7   5.343  11.474 -18.217
   19    H    GLY  -6           HN       GLY  -6   6.861  10.678 -16.869
   20   1HA   GLY  -6          2HA       GLY  -6   7.958   8.984 -15.743
   21   2HA   GLY  -6          1HA       GLY  -6   9.395   9.365 -16.691
   22    H    HIS  -5           HN       HIS  -5   7.423  11.142 -14.364
   23    HA   HIS  -5           HA       HIS  -5   9.870  12.291 -13.255
   24   1HB   HIS  -5          2HB       HIS  -5   8.009  13.781 -14.085
   25   2HB   HIS  -5          1HB       HIS  -5   7.004  13.125 -12.811
   26    HD1  HIS  -5           1HD      HIS  -5  10.541  13.893 -11.977
   27    HD2  HIS  -5           2HD      HIS  -5   6.798  15.641 -11.737
   28    HE1  HIS  -5           1HE      HIS  -5  10.783  15.779 -10.358
   29    HE2  HIS  -5           2HE      HIS  -5   8.555  16.953 -10.365
   30    H    ILE  -4           HN       ILE  -4  10.669  11.377 -11.481
   31    HA   ILE  -4           HA       ILE  -4   9.003   9.883  -9.664
   32    HB   ILE  -4           HB       ILE  -4  11.927  10.623  -9.625
   33   1HG1  ILE  -4          2HG1      ILE  -4  12.112   8.081  -9.538
   34   2HG1  ILE  -4          1HG1      ILE  -4  10.382   8.040  -9.850
   35   1HG2  ILE  -4          1HG2      ILE  -4  12.183   9.395  -7.538
   36   2HG2  ILE  -4          2HG2      ILE  -4  10.436   9.156  -7.457
   37   3HG2  ILE  -4          3HG2      ILE  -4  11.111  10.781  -7.327
   38   1HD1  ILE  -4          1HD1      ILE  -4  10.736   9.190 -11.971
   39   2HD1  ILE  -4          2HD1      ILE  -4  11.659   7.690 -11.882
   40   3HD1  ILE  -4          3HD1      ILE  -4  12.471   9.239 -11.653
   41    H    GLU  -3           HN       GLU  -3   7.798  10.778  -8.159
   42    HA   GLU  -3           HA       GLU  -3   8.391  13.545  -7.352
   43   1HB   GLU  -3          2HB       GLU  -3   5.727  12.110  -7.345
   44   2HB   GLU  -3          1HB       GLU  -3   5.998  13.806  -6.966
   45   1HG   GLU  -3          2HG       GLU  -3   6.671  14.254  -9.234
   46   2HG   GLU  -3          1HG       GLU  -3   6.555  12.542  -9.641
   47    H    GLY  -2           HN       GLY  -2   9.177  10.803  -6.260
   48   1HA   GLY  -2          2HA       GLY  -2   9.570   9.890  -4.193
   49   2HA   GLY  -2          1HA       GLY  -2   9.030  11.412  -3.495
   50    H    ARG  -1           HN       ARG  -1   7.194   9.286  -5.614
   51    HA   ARG  -1           HA       ARG  -1   5.069   9.240  -3.627
   52   1HB   ARG  -1          2HB       ARG  -1   3.632   8.465  -5.360
   53   2HB   ARG  -1          1HB       ARG  -1   4.626   9.730  -6.063
   54   1HG   ARG  -1          2HG       ARG  -1   5.999   8.115  -7.185
   55   2HG   ARG  -1          1HG       ARG  -1   5.188   6.788  -6.345
   56   1HD   ARG  -1          2HD       ARG  -1   4.411   7.085  -8.677
   57   2HD   ARG  -1          1HD       ARG  -1   3.126   7.253  -7.483
   58    HE   ARG  -1           HE       ARG  -1   4.435   9.629  -8.626
   59   1HH1  ARG  -1          1HH1      ARG  -1   1.585   7.678  -8.057
   60   2HH1  ARG  -1          2HH1      ARG  -1   0.475   8.911  -8.592
   61   1HH2  ARG  -1          1HH2      ARG  -1   2.978  11.268  -9.348
   62   2HH2  ARG  -1          2HH2      ARG  -1   1.269  10.931  -9.341
   63    H    HIS   0           HN       HIS   0   3.876   7.098  -3.408
   64    HA   HIS   0           HA       HIS   0   5.765   4.871  -3.340
   65   1HB   HIS   0          2HB       HIS   0   4.968   4.293  -1.019
   66   2HB   HIS   0          1HB       HIS   0   6.019   5.697  -1.136
   67    HD1  HIS   0           1HD      HIS   0   5.273   7.356   0.530
   68    HD2  HIS   0           2HD      HIS   0   2.059   5.473  -1.305
   69    HE1  HIS   0           1HE      HIS   0   3.214   8.432   1.498
   70    HE2  HIS   0           2HE      HIS   0   1.278   7.194   0.459
   71    H    MET   1           HN       MET   1   4.959   3.115  -4.083
   72    HA   MET   1           HA       MET   1   2.049   2.773  -4.156
   73   1HB   MET   1          2HB       MET   1   2.976   2.625  -6.350
   74   2HB   MET   1          1HB       MET   1   4.294   1.607  -5.799
   75   1HG   MET   1          2HG       MET   1   2.674  -0.192  -5.344
   76   2HG   MET   1          1HG       MET   1   1.397   0.836  -5.993
   77   1HE   MET   1          1HE       MET   1   0.951  -1.426  -7.535
   78   2HE   MET   1          2HE       MET   1   2.429  -2.199  -6.960
   79   3HE   MET   1          3HE       MET   1   2.138  -2.032  -8.691
   80    H    LEU   2           HN       LEU   2   1.340   1.631  -2.458
   81    HA   LEU   2           HA       LEU   2   3.135  -0.403  -1.350
   82   1HB   LEU   2          2HB       LEU   2   2.144   1.410   0.167
   83   2HB   LEU   2          1HB       LEU   2   0.599   0.611  -0.073
   84    HG   LEU   2           HG       LEU   2   1.950   0.046   2.057
   85   1HD1  LEU   2          1HD1      LEU   2  -0.049  -1.184   1.380
   86   2HD1  LEU   2          2HD1      LEU   2   1.168  -2.256   2.071
   87   3HD1  LEU   2          3HD1      LEU   2   0.933  -2.199   0.324
   88   1HD2  LEU   2          1HD2      LEU   2   3.376  -1.730   0.083
   89   2HD2  LEU   2          2HD2      LEU   2   3.565  -1.743   1.837
   90   3HD2  LEU   2          3HD2      LEU   2   4.085  -0.340   0.905
   91    H    VAL   3           HN       VAL   3   2.820  -2.355  -1.933
   92    HA   VAL   3           HA       VAL   3   0.301  -3.138  -3.157
   93    HB   VAL   3           HB       VAL   3   2.455  -3.527  -4.322
   94   1HG1  VAL   3          1HG1      VAL   3   3.885  -5.390  -3.654
   95   2HG1  VAL   3          2HG1      VAL   3   2.948  -5.569  -2.169
   96   3HG1  VAL   3          3HG1      VAL   3   3.876  -4.095  -2.455
   97   1HG2  VAL   3          1HG2      VAL   3   1.921  -5.793  -5.069
   98   2HG2  VAL   3          2HG2      VAL   3   0.484  -4.782  -4.919
   99   3HG2  VAL   3          3HG2      VAL   3   0.847  -5.986  -3.684
  100    H    LEU   4           HN       LEU   4  -1.145  -4.288  -2.166
  101    HA   LEU   4           HA       LEU   4  -0.560  -5.416   0.491
  102   1HB   LEU   4          2HB       LEU   4  -2.668  -3.752  -0.566
  103   2HB   LEU   4          1HB       LEU   4  -3.351  -5.256   0.007
  104    HG   LEU   4           HG       LEU   4  -2.037  -3.051   1.558
  105   1HD1  LEU   4          1HD1      LEU   4  -3.972  -3.467   3.026
  106   2HD1  LEU   4          2HD1      LEU   4  -4.524  -4.709   1.904
  107   3HD1  LEU   4          3HD1      LEU   4  -4.420  -3.029   1.380
  108   1HD2  LEU   4          1HD2      LEU   4  -2.186  -5.947   2.410
  109   2HD2  LEU   4          2HD2      LEU   4  -1.970  -4.601   3.528
  110   3HD2  LEU   4          3HD2      LEU   4  -0.747  -4.931   2.303
  111    H    SER   5           HN       SER   5  -1.302  -7.536   0.934
  112    HA   SER   5           HA       SER   5  -1.542  -9.150  -1.464
  113   1HB   SER   5          2HB       SER   5  -1.397 -11.044   0.284
  114   2HB   SER   5          1HB       SER   5   0.028 -10.030   0.055
  115    HG   SER   5           HG       SER   5  -0.193  -9.975   2.190
  116    H    ARG   6           HN       ARG   6  -3.488  -9.360  -2.301
  117    HA   ARG   6           HA       ARG   6  -5.750 -10.041  -0.592
  118   1HB   ARG   6          2HB       ARG   6  -5.686  -7.546  -0.753
  119   2HB   ARG   6          1HB       ARG   6  -5.789  -7.688  -2.499
  120   1HG   ARG   6          2HG       ARG   6  -7.960  -7.242  -1.938
  121   2HG   ARG   6          1HG       ARG   6  -7.974  -9.004  -1.994
  122   1HD   ARG   6          2HD       ARG   6  -8.055  -9.200   0.317
  123   2HD   ARG   6          1HD       ARG   6  -7.411  -7.577   0.576
  124    HE   ARG   6           HE       ARG   6 -10.049  -7.834  -0.677
  125   1HH1  ARG   6          1HH1      ARG   6  -8.172  -7.080   2.197
  126   2HH1  ARG   6          2HH1      ARG   6  -9.429  -6.119   2.905
  127   1HH2  ARG   6          1HH2      ARG   6 -11.686  -6.570   0.261
  128   2HH2  ARG   6          2HH2      ARG   6 -11.420  -5.819   1.814
  129    H    LYS   7           HN       LYS   7  -6.772 -11.677  -1.586
  130    HA   LYS   7           HA       LYS   7  -5.796 -12.250  -4.296
  131   1HB   LYS   7          2HB       LYS   7  -6.873 -14.144  -2.197
  132   2HB   LYS   7          1HB       LYS   7  -6.221 -14.610  -3.764
  133   1HG   LYS   7          2HG       LYS   7  -4.409 -14.992  -2.415
  134   2HG   LYS   7          1HG       LYS   7  -4.090 -13.336  -2.925
  135   1HD   LYS   7          2HD       LYS   7  -5.482 -12.780  -0.740
  136   2HD   LYS   7          1HD       LYS   7  -4.940 -14.387  -0.273
  137   1HE   LYS   7          2HE       LYS   7  -2.619 -13.700  -0.722
  138   2HE   LYS   7          1HE       LYS   7  -3.185 -12.065  -1.096
  139   1HZ   LYS   7          1HZ       LYS   7  -4.115 -12.000   1.211
  140   2HZ   LYS   7          2HZ       LYS   7  -2.432 -12.126   1.162
  141   3HZ   LYS   7          3HZ       LYS   7  -3.364 -13.490   1.521
  142    H    ILE   8           HN       ILE   8  -7.771 -10.488  -4.180
  143    HA   ILE   8           HA       ILE   8 -10.165 -11.967  -5.040
  144    HB   ILE   8           HB       ILE   8 -10.208  -9.215  -3.794
  145   1HG1  ILE   8          2HG1      ILE   8  -9.285 -10.868  -2.170
  146   2HG1  ILE   8          1HG1      ILE   8 -10.837 -10.202  -1.672
  147   1HG2  ILE   8          1HG2      ILE   8 -12.587  -9.733  -3.425
  148   2HG2  ILE   8          2HG2      ILE   8 -12.361 -11.279  -4.243
  149   3HG2  ILE   8          3HG2      ILE   8 -12.143  -9.772  -5.133
  150   1HD1  ILE   8          1HD1      ILE   8 -10.716 -12.582  -1.230
  151   2HD1  ILE   8          2HD1      ILE   8 -10.398 -12.895  -2.935
  152   3HD1  ILE   8          3HD1      ILE   8 -11.952 -12.230  -2.436
  153    H    ASN   9           HN       ASN   9  -7.716  -9.813  -5.819
  154    HA   ASN   9           HA       ASN   9  -7.397  -8.069  -7.225
  155   1HB   ASN   9          2HB       ASN   9  -7.703  -8.574  -9.539
  156   2HB   ASN   9          1HB       ASN   9  -7.194 -10.029  -8.708
  157   1HD2  ASN   9          1HD2      ASN   9  -7.939 -11.497 -10.111
  158   2HD2  ASN   9          2HD2      ASN   9  -9.612 -11.720 -10.506
  159    H    GLU  10           HN       GLU  10  -9.627  -7.733  -5.599
  160    HA   GLU  10           HA       GLU  10 -11.791  -6.583  -7.055
  161   1HB   GLU  10          2HB       GLU  10 -12.400  -5.675  -4.772
  162   2HB   GLU  10          1HB       GLU  10 -12.248  -7.424  -4.864
  163   1HG   GLU  10          2HG       GLU  10 -10.032  -7.310  -3.873
  164   2HG   GLU  10          1HG       GLU  10 -10.131  -5.553  -3.822
  165    H    ALA  11           HN       ALA  11 -12.361  -4.190  -6.309
  166    HA   ALA  11           HA       ALA  11  -9.965  -2.577  -6.913
  167   1HB   ALA  11          1HB       ALA  11 -12.888  -1.918  -7.375
  168   2HB   ALA  11          2HB       ALA  11 -11.731  -2.404  -8.614
  169   3HB   ALA  11          3HB       ALA  11 -11.525  -0.872  -7.767
  170    H    ILE  12           HN       ILE  12  -9.565  -0.728  -5.717
  171    HA   ILE  12           HA       ILE  12 -10.691  -1.040  -3.032
  172    HB   ILE  12           HB       ILE  12  -7.967   0.037  -3.779
  173   1HG1  ILE  12          2HG1      ILE  12  -7.306  -2.257  -2.682
  174   2HG1  ILE  12          1HG1      ILE  12  -8.937  -2.734  -3.141
  175   1HG2  ILE  12          1HG2      ILE  12  -9.115  -0.848  -1.137
  176   2HG2  ILE  12          2HG2      ILE  12  -8.822   0.820  -1.628
  177   3HG2  ILE  12          3HG2      ILE  12  -7.465  -0.287  -1.410
  178   1HD1  ILE  12          1HD1      ILE  12  -8.438  -2.350  -5.456
  179   2HD1  ILE  12          2HD1      ILE  12  -7.233  -3.427  -4.752
  180   3HD1  ILE  12          3HD1      ILE  12  -6.840  -1.732  -5.042
  181    H    GLN  13           HN       GLN  13 -12.098   0.439  -2.618
  182    HA   GLN  13           HA       GLN  13 -11.474   3.259  -3.227
  183   1HB   GLN  13          2HB       GLN  13 -13.214   2.570  -4.759
  184   2HB   GLN  13          1HB       GLN  13 -14.116   1.794  -3.468
  185   1HG   GLN  13          2HG       GLN  13 -15.212   3.824  -4.026
  186   2HG   GLN  13          1HG       GLN  13 -14.459   4.035  -2.447
  187   1HE2  GLN  13          1HE2      GLN  13 -12.734   5.436  -2.229
  188   2HE2  GLN  13          2HE2      GLN  13 -12.328   6.600  -3.450
  189    H    ILE  14           HN       ILE  14 -10.799   3.820  -1.229
  190    HA   ILE  14           HA       ILE  14 -12.687   3.304   0.955
  191    HB   ILE  14           HB       ILE  14 -10.788   3.491   2.545
  192   1HG1  ILE  14          2HG1      ILE  14  -9.266   4.601   0.761
  193   2HG1  ILE  14          1HG1      ILE  14  -8.549   3.468   1.898
  194   1HG2  ILE  14          1HG2      ILE  14 -10.669   1.247   0.542
  195   2HG2  ILE  14          2HG2      ILE  14 -11.726   1.348   1.948
  196   3HG2  ILE  14          3HG2      ILE  14  -9.981   1.207   2.164
  197   1HD1  ILE  14          1HD1      ILE  14  -9.344   2.841  -0.936
  198   2HD1  ILE  14          2HD1      ILE  14  -8.592   1.727   0.204
  199   3HD1  ILE  14          3HD1      ILE  14  -7.707   3.144  -0.356
  200    H    GLY  15           HN       GLY  15 -13.727   4.980   1.561
  201   1HA   GLY  15          2HA       GLY  15 -14.092   7.018   2.545
  202   2HA   GLY  15          1HA       GLY  15 -12.376   7.355   2.412
  203    H    ALA  16           HN       ALA  16 -11.644   7.636   0.100
  204    HA   ALA  16           HA       ALA  16 -12.985   8.624  -1.997
  205   1HB   ALA  16          1HB       ALA  16 -13.225  11.042  -1.682
  206   2HB   ALA  16          2HB       ALA  16 -12.705  10.885  -0.004
  207   3HB   ALA  16          3HB       ALA  16 -14.225  10.160  -0.530
  208    H    ASP  17           HN       ASP  17 -10.364   8.783   0.177
  209    HA   ASP  17           HA       ASP  17  -8.729  10.554  -1.377
  210   1HB   ASP  17          2HB       ASP  17  -8.547  10.443   1.096
  211   2HB   ASP  17          1HB       ASP  17  -7.948   8.791   0.961
  212    H    ILE  18           HN       ILE  18  -9.019   7.056  -0.894
  213    HA   ILE  18           HA       ILE  18  -7.045   6.763  -3.062
  214    HB   ILE  18           HB       ILE  18  -7.366   4.972  -0.654
  215   1HG1  ILE  18          2HG1      ILE  18  -6.046   7.025  -0.288
  216   2HG1  ILE  18          1HG1      ILE  18  -5.042   5.583  -0.194
  217   1HG2  ILE  18          1HG2      ILE  18  -5.608   4.587  -3.077
  218   2HG2  ILE  18          2HG2      ILE  18  -7.024   3.625  -2.660
  219   3HG2  ILE  18          3HG2      ILE  18  -5.597   3.588  -1.625
  220   1HD1  ILE  18          1HD1      ILE  18  -4.212   6.004  -2.441
  221   2HD1  ILE  18          2HD1      ILE  18  -3.926   7.388  -1.386
  222   3HD1  ILE  18          3HD1      ILE  18  -5.240   7.433  -2.562
  223    H    GLU  19           HN       GLU  19  -7.979   6.133  -4.804
  224    HA   GLU  19           HA       GLU  19  -9.680   3.745  -4.725
  225   1HB   GLU  19          2HB       GLU  19 -10.951   4.690  -6.678
  226   2HB   GLU  19          1HB       GLU  19 -11.229   5.520  -5.155
  227   1HG   GLU  19          2HG       GLU  19  -9.866   7.353  -5.806
  228   2HG   GLU  19          1HG       GLU  19  -9.274   6.486  -7.222
  229    H    VAL  20           HN       VAL  20  -8.629   2.153  -5.781
  230    HA   VAL  20           HA       VAL  20  -7.642   2.229  -8.356
  231    HB   VAL  20           HB       VAL  20  -6.005   3.894  -7.510
  232   1HG1  VAL  20          1HG1      VAL  20  -4.217   3.208  -6.005
  233   2HG1  VAL  20          2HG1      VAL  20  -4.985   1.634  -5.795
  234   3HG1  VAL  20          3HG1      VAL  20  -5.791   3.094  -5.221
  235   1HG2  VAL  20          1HG2      VAL  20  -3.999   2.857  -8.433
  236   2HG2  VAL  20          2HG2      VAL  20  -5.418   2.480  -9.410
  237   3HG2  VAL  20          3HG2      VAL  20  -4.756   1.268  -8.313
  238    H    LYS  21           HN       LYS  21  -7.050   0.209  -9.003
  239    HA   LYS  21           HA       LYS  21  -6.013  -1.704  -6.995
  240   1HB   LYS  21          2HB       LYS  21  -7.185  -3.510  -8.314
  241   2HB   LYS  21          1HB       LYS  21  -8.215  -2.486  -7.327
  242   1HG   LYS  21          2HG       LYS  21  -8.954  -1.259  -9.235
  243   2HG   LYS  21          1HG       LYS  21  -7.775  -2.076 -10.270
  244   1HD   LYS  21          2HD       LYS  21  -8.920  -4.208  -9.879
  245   2HD   LYS  21          1HD       LYS  21 -10.108  -3.375  -8.873
  246   1HE   LYS  21          2HE       LYS  21 -10.939  -3.758 -11.155
  247   2HE   LYS  21          1HE       LYS  21 -10.822  -2.042 -10.768
  248   1HZ   LYS  21          1HZ       LYS  21  -8.825  -1.869 -12.035
  249   2HZ   LYS  21          2HZ       LYS  21  -9.978  -2.629 -13.006
  250   3HZ   LYS  21          3HZ       LYS  21  -8.749  -3.544 -12.281
  251    H    VAL  22           HN       VAL  22  -3.931  -1.453  -7.645
  252    HA   VAL  22           HA       VAL  22  -3.403  -2.282 -10.419
  253    HB   VAL  22           HB       VAL  22  -1.037  -1.530 -10.059
  254   1HG1  VAL  22          1HG1      VAL  22  -2.655  -0.173 -11.281
  255   2HG1  VAL  22          2HG1      VAL  22  -1.533   0.841 -10.377
  256   3HG1  VAL  22          3HG1      VAL  22  -3.170   0.584  -9.776
  257   1HG2  VAL  22          1HG2      VAL  22  -1.005  -1.538  -7.616
  258   2HG2  VAL  22          2HG2      VAL  22  -2.179  -0.219  -7.595
  259   3HG2  VAL  22          3HG2      VAL  22  -0.564   0.043  -8.260
  260    H    ILE  23           HN       ILE  23  -3.168  -4.334 -10.611
  261    HA   ILE  23           HA       ILE  23  -2.555  -5.941  -8.287
  262    HB   ILE  23           HB       ILE  23  -3.424  -6.688 -11.075
  263   1HG1  ILE  23          2HG1      ILE  23  -5.000  -6.918  -8.521
  264   2HG1  ILE  23          1HG1      ILE  23  -4.995  -5.420  -9.455
  265   1HG2  ILE  23          1HG2      ILE  23  -3.173  -8.446  -8.639
  266   2HG2  ILE  23          2HG2      ILE  23  -2.115  -8.491 -10.049
  267   3HG2  ILE  23          3HG2      ILE  23  -3.816  -8.932 -10.209
  268   1HD1  ILE  23          1HD1      ILE  23  -5.889  -8.127 -10.436
  269   2HD1  ILE  23          2HD1      ILE  23  -5.889  -6.635 -11.376
  270   3HD1  ILE  23          3HD1      ILE  23  -6.933  -6.788  -9.963
  271    H    ALA  24           HN       ALA  24  -0.785  -7.071  -7.938
  272    HA   ALA  24           HA       ALA  24   1.256  -7.186 -10.055
  273   1HB   ALA  24          1HB       ALA  24   2.982  -6.899  -8.337
  274   2HB   ALA  24          2HB       ALA  24   1.727  -6.691  -7.116
  275   3HB   ALA  24          3HB       ALA  24   1.903  -5.505  -8.407
  276    H    VAL  25           HN       VAL  25   2.780  -8.983  -9.770
  277    HA   VAL  25           HA       VAL  25   1.296 -11.327  -8.944
  278    HB   VAL  25           HB       VAL  25   3.214 -12.546 -10.090
  279   1HG1  VAL  25          1HG1      VAL  25   1.509 -10.666 -11.710
  280   2HG1  VAL  25          2HG1      VAL  25   1.016 -12.244 -11.098
  281   3HG1  VAL  25          3HG1      VAL  25   2.289 -12.128 -12.313
  282   1HG2  VAL  25          1HG2      VAL  25   3.809  -9.752 -11.055
  283   2HG2  VAL  25          2HG2      VAL  25   4.498 -11.232 -11.726
  284   3HG2  VAL  25          3HG2      VAL  25   4.862 -10.764 -10.065
  285    H    GLU  26           HN       GLU  26   1.560 -12.145  -7.047
  286    HA   GLU  26           HA       GLU  26   3.975 -11.691  -5.479
  287   1HB   GLU  26          2HB       GLU  26   1.593 -11.479  -4.592
  288   2HB   GLU  26          1HB       GLU  26   1.468 -13.223  -4.765
  289   1HG   GLU  26          2HG       GLU  26   1.907 -12.778  -2.502
  290   2HG   GLU  26          1HG       GLU  26   3.390 -13.442  -3.186
  291    H    GLY  27           HN       GLY  27   4.074 -13.288  -7.868
  292   1HA   GLY  27          2HA       GLY  27   5.092 -15.238  -8.563
  293   2HA   GLY  27          1HA       GLY  27   5.235 -15.715  -6.877
  294    H    ASP  28           HN       ASP  28   3.201 -16.431  -5.821
  295    HA   ASP  28           HA       ASP  28   1.453 -17.855  -7.719
  296   1HB   ASP  28          2HB       ASP  28   2.487 -18.904  -5.072
  297   2HB   ASP  28          1HB       ASP  28   1.382 -19.748  -6.152
  298    H    GLN  29           HN       GLN  29   1.071 -15.338  -6.538
  299    HA   GLN  29           HA       GLN  29  -1.386 -15.754  -5.075
  300   1HB   GLN  29          2HB       GLN  29   0.268 -15.787  -3.286
  301   2HB   GLN  29          1HB       GLN  29   0.997 -14.317  -3.911
  302   1HG   GLN  29          2HG       GLN  29  -0.708 -12.973  -3.134
  303   2HG   GLN  29          1HG       GLN  29  -1.848 -14.318  -3.000
  304   1HE2  GLN  29          1HE2      GLN  29   0.868 -12.696  -1.542
  305   2HE2  GLN  29          2HE2      GLN  29   0.751 -13.471   0.004
  306    H    VAL  30           HN       VAL  30  -2.698 -13.862  -5.067
  307    HA   VAL  30           HA       VAL  30  -1.779 -11.866  -7.006
  308    HB   VAL  30           HB       VAL  30  -4.649 -12.532  -6.292
  309   1HG1  VAL  30          1HG1      VAL  30  -4.330 -10.235  -7.070
  310   2HG1  VAL  30          2HG1      VAL  30  -5.269 -11.194  -8.210
  311   3HG1  VAL  30          3HG1      VAL  30  -3.576 -10.842  -8.544
  312   1HG2  VAL  30          1HG2      VAL  30  -4.802 -13.622  -8.477
  313   2HG2  VAL  30          2HG2      VAL  30  -3.614 -14.417  -7.445
  314   3HG2  VAL  30          3HG2      VAL  30  -3.081 -13.345  -8.741
  315    H    LYS  31           HN       LYS  31  -1.521  -9.865  -6.341
  316    HA   LYS  31           HA       LYS  31  -2.956  -9.009  -3.951
  317   1HB   LYS  31          2HB       LYS  31  -0.975  -8.237  -2.870
  318   2HB   LYS  31          1HB       LYS  31  -0.683  -9.893  -3.386
  319   1HG   LYS  31          2HG       LYS  31   0.459  -8.919  -5.412
  320   2HG   LYS  31          1HG       LYS  31   0.336  -7.350  -4.633
  321   1HD   LYS  31          2HD       LYS  31   1.744  -9.770  -3.520
  322   2HD   LYS  31          1HD       LYS  31   2.519  -8.362  -4.246
  323   1HE   LYS  31          2HE       LYS  31   1.467  -6.958  -2.476
  324   2HE   LYS  31          1HE       LYS  31   0.874  -8.439  -1.722
  325   1HZ   LYS  31          1HZ       LYS  31   3.740  -7.862  -2.242
  326   2HZ   LYS  31          2HZ       LYS  31   3.106  -9.190  -1.396
  327   3HZ   LYS  31          3HZ       LYS  31   2.968  -7.625  -0.749
  328    H    LEU  32           HN       LEU  32  -3.286  -6.769  -3.783
  329    HA   LEU  32           HA       LEU  32  -3.121  -5.348  -6.356
  330   1HB   LEU  32          2HB       LEU  32  -4.909  -3.926  -5.477
  331   2HB   LEU  32          1HB       LEU  32  -5.373  -5.607  -5.440
  332    HG   LEU  32           HG       LEU  32  -4.383  -5.386  -2.953
  333   1HD1  LEU  32          1HD1      LEU  32  -3.819  -3.042  -3.143
  334   2HD1  LEU  32          2HD1      LEU  32  -5.097  -3.278  -1.954
  335   3HD1  LEU  32          3HD1      LEU  32  -5.488  -2.655  -3.555
  336   1HD2  LEU  32          1HD2      LEU  32  -6.694  -5.114  -2.185
  337   2HD2  LEU  32          2HD2      LEU  32  -6.572  -6.260  -3.519
  338   3HD2  LEU  32          3HD2      LEU  32  -7.169  -4.628  -3.812
  339    H    GLY  33           HN       GLY  33  -2.750  -2.938  -6.151
  340   1HA   GLY  33          2HA       GLY  33  -1.200  -2.274  -3.739
  341   2HA   GLY  33          1HA       GLY  33  -0.542  -1.951  -5.335
  342    H    ILE  34           HN       ILE  34  -1.306  -0.163  -3.063
  343    HA   ILE  34           HA       ILE  34  -2.930   1.641  -4.730
  344    HB   ILE  34           HB       ILE  34  -3.619   2.879  -2.812
  345   1HG1  ILE  34          2HG1      ILE  34  -2.279   1.078  -0.847
  346   2HG1  ILE  34          1HG1      ILE  34  -1.308   2.336  -1.615
  347   1HG2  ILE  34          1HG2      ILE  34  -4.841   1.179  -1.523
  348   2HG2  ILE  34          2HG2      ILE  34  -3.867  -0.072  -2.298
  349   3HG2  ILE  34          3HG2      ILE  34  -4.942   0.937  -3.266
  350   1HD1  ILE  34          1HD1      ILE  34  -2.858   4.025  -0.809
  351   2HD1  ILE  34          2HD1      ILE  34  -2.219   3.059   0.522
  352   3HD1  ILE  34          3HD1      ILE  34  -3.853   2.770  -0.073
  353    H    ASP  35           HN       ASP  35  -1.984   3.410  -5.502
  354    HA   ASP  35           HA       ASP  35   0.626   4.148  -4.375
  355   1HB   ASP  35          2HB       ASP  35   1.093   3.180  -6.502
  356   2HB   ASP  35          1HB       ASP  35  -0.227   4.052  -7.271
  357    H    ALA  36           HN       ALA  36   0.979   6.232  -3.964
  358    HA   ALA  36           HA       ALA  36  -1.074   8.189  -4.712
  359   1HB   ALA  36          1HB       ALA  36  -1.100   9.069  -2.419
  360   2HB   ALA  36          2HB       ALA  36  -0.012   7.776  -1.909
  361   3HB   ALA  36          3HB       ALA  36  -1.640   7.391  -2.468
  362    HA   PRO  37           HA       PRO  37   2.416  10.652  -5.659
  363   1HB   PRO  37          2HB       PRO  37   1.062  13.134  -5.116
  364   2HB   PRO  37          1HB       PRO  37   1.312  12.348  -6.674
  365   1HG   PRO  37          2HG       PRO  37  -1.137  12.646  -5.471
  366   2HG   PRO  37          1HG       PRO  37  -0.757  11.385  -6.656
  367   1HD   PRO  37          2HD       PRO  37  -0.884  11.217  -3.669
  368   2HD   PRO  37          1HD       PRO  37  -1.427  10.043  -4.894
  369    H    LYS  38           HN       LYS  38   2.054   9.919  -2.802
  370    HA   LYS  38           HA       LYS  38   2.969  10.278  -0.782
  371   1HB   LYS  38          2HB       LYS  38   5.017  10.755  -2.112
  372   2HB   LYS  38          1HB       LYS  38   4.585  12.458  -2.097
  373   1HG   LYS  38          2HG       LYS  38   6.274  11.879  -0.411
  374   2HG   LYS  38          1HG       LYS  38   4.796  12.539   0.297
  375   1HD   LYS  38          2HD       LYS  38   4.464  10.691   1.498
  376   2HD   LYS  38          1HD       LYS  38   4.617   9.658   0.075
  377   1HE   LYS  38          2HE       LYS  38   6.299   9.118   1.778
  378   2HE   LYS  38          1HE       LYS  38   7.037   9.686   0.282
  379   1HZ   LYS  38          1HZ       LYS  38   6.605  11.333   2.716
  380   2HZ   LYS  38          2HZ       LYS  38   7.353  11.852   1.287
  381   3HZ   LYS  38          3HZ       LYS  38   8.084  10.653   2.235
  382    H    HIS  39           HN       HIS  39   1.578  10.981   0.603
  383    HA   HIS  39           HA       HIS  39   1.211  13.700   1.253
  384   1HB   HIS  39          2HB       HIS  39  -1.055  14.079   0.580
  385   2HB   HIS  39          1HB       HIS  39  -0.235  13.467  -0.856
  386    HD1  HIS  39           1HD      HIS  39  -0.341  10.481  -0.249
  387    HD2  HIS  39           2HD      HIS  39  -3.577  13.023   0.260
  388    HE1  HIS  39           1HE      HIS  39  -2.325   9.001  -0.135
  389    HE2  HIS  39           2HE      HIS  39  -4.284  10.525   0.309
  390    H    ILE  40           HN       ILE  40  -1.066  13.605   2.676
  391    HA   ILE  40           HA       ILE  40  -0.549  11.543   4.651
  392    HB   ILE  40           HB       ILE  40  -2.136  12.792   6.064
  393   1HG1  ILE  40          2HG1      ILE  40  -3.273  13.678   3.821
  394   2HG1  ILE  40          1HG1      ILE  40  -3.415  14.559   5.346
  395   1HG2  ILE  40          1HG2      ILE  40   0.229  13.351   6.162
  396   2HG2  ILE  40          2HG2      ILE  40  -0.760  14.789   6.411
  397   3HG2  ILE  40          3HG2      ILE  40   0.023  14.517   4.856
  398   1HD1  ILE  40          1HD1      ILE  40  -2.938  16.061   3.499
  399   2HD1  ILE  40          2HD1      ILE  40  -1.473  15.159   3.119
  400   3HD1  ILE  40          3HD1      ILE  40  -1.594  16.040   4.639
  401    H    ASP  41           HN       ASP  41  -2.030   9.960   5.161
  402    HA   ASP  41           HA       ASP  41  -4.207   9.688   3.249
  403   1HB   ASP  41          2HB       ASP  41  -4.387   7.351   4.307
  404   2HB   ASP  41          1HB       ASP  41  -2.994   7.722   3.285
  405    H    ILE  42           HN       ILE  42  -6.131  10.255   3.713
  406    HA   ILE  42           HA       ILE  42  -6.785  11.199   6.351
  407    HB   ILE  42           HB       ILE  42  -8.587  11.030   3.936
  408   1HG1  ILE  42          2HG1      ILE  42  -6.511  12.189   3.351
  409   2HG1  ILE  42          1HG1      ILE  42  -7.871  13.307   3.393
  410   1HG2  ILE  42          1HG2      ILE  42  -9.748  11.489   6.025
  411   2HG2  ILE  42          2HG2      ILE  42  -9.762  12.905   4.976
  412   3HG2  ILE  42          3HG2      ILE  42  -8.660  12.837   6.349
  413   1HD1  ILE  42          1HD1      ILE  42  -5.887  14.293   4.385
  414   2HD1  ILE  42          2HD1      ILE  42  -5.796  12.970   5.548
  415   3HD1  ILE  42          3HD1      ILE  42  -7.157  14.092   5.593
  416    H    HIS  43           HN       HIS  43  -8.292  10.332   7.763
  417    HA   HIS  43           HA       HIS  43  -9.693   7.897   6.899
  418   1HB   HIS  43          2HB       HIS  43  -8.520   8.079   9.669
  419   2HB   HIS  43          1HB       HIS  43  -9.128   6.658   8.817
  420    HD1  HIS  43           1HD      HIS  43  -6.084   7.862   9.974
  421    HD2  HIS  43           2HD      HIS  43  -7.318   6.429   6.265
  422    HE1  HIS  43           1HE      HIS  43  -3.987   7.195   8.752
  423    HE2  HIS  43           2HE      HIS  43  -4.733   6.543   6.468
  424    H    ARG  44           HN       ARG  44 -11.479   7.347   8.503
  425    HA   ARG  44           HA       ARG  44 -12.570   9.835   9.641
  426   1HB   ARG  44          2HB       ARG  44 -13.804   9.205   7.619
  427   2HB   ARG  44          1HB       ARG  44 -14.109   7.609   8.288
  428   1HG   ARG  44          2HG       ARG  44 -15.604   8.439   9.885
  429   2HG   ARG  44          1HG       ARG  44 -15.035  10.098   9.687
  430   1HD   ARG  44          2HD       ARG  44 -16.552   8.484   7.636
  431   2HD   ARG  44          1HD       ARG  44 -17.215   9.782   8.631
  432    HE   ARG  44           HE       ARG  44 -15.317  11.135   7.461
  433   1HH1  ARG  44          1HH1      ARG  44 -17.449   8.745   6.027
  434   2HH1  ARG  44          2HH1      ARG  44 -17.254   9.361   4.409
  435   1HH2  ARG  44          1HH2      ARG  44 -15.076  11.956   5.347
  436   2HH2  ARG  44          2HH2      ARG  44 -15.914  11.192   4.022
  437    H    LYS  45           HN       LYS  45 -12.202   9.615  11.735
  438    HA   LYS  45           HA       LYS  45 -12.259   8.849  13.863
  439   1HB   LYS  45          2HB       LYS  45 -14.626   8.333  13.456
  440   2HB   LYS  45          1HB       LYS  45 -14.180   6.774  12.785
  441   1HG   LYS  45          2HG       LYS  45 -14.982   6.406  14.984
  442   2HG   LYS  45          1HG       LYS  45 -13.236   6.171  15.020
  443   1HD   LYS  45          2HD       LYS  45 -14.474   8.810  15.739
  444   2HD   LYS  45          1HD       LYS  45 -14.333   7.514  16.926
  445   1HE   LYS  45          2HE       LYS  45 -12.038   8.703  15.368
  446   2HE   LYS  45          1HE       LYS  45 -12.466   9.132  17.022
  447   1HZ   LYS  45          1HZ       LYS  45 -11.983   6.921  17.740
  448   2HZ   LYS  45          2HZ       LYS  45 -10.649   7.497  16.861
  449   3HZ   LYS  45          3HZ       LYS  45 -11.719   6.389  16.149
  450    H    GLU  46           HN       GLU  46 -12.610   5.741  12.173
  451    HA   GLU  46           HA       GLU  46 -10.034   4.894  13.287
  452   1HB   GLU  46          2HB       GLU  46 -12.118   3.238  11.844
  453   2HB   GLU  46          1HB       GLU  46 -10.712   2.631  12.709
  454   1HG   GLU  46          2HG       GLU  46 -13.100   4.016  13.909
  455   2HG   GLU  46          1HG       GLU  46 -12.702   2.305  14.026
  456    H    ILE  47           HN       ILE  47  -8.875   3.289  11.546
  457    HA   ILE  47           HA       ILE  47  -8.469   5.105   9.300
  458    HB   ILE  47           HB       ILE  47  -6.436   3.932   8.796
  459   1HG1  ILE  47          2HG1      ILE  47  -7.109   2.102  11.117
  460   2HG1  ILE  47          1HG1      ILE  47  -7.150   1.653   9.411
  461   1HG2  ILE  47          1HG2      ILE  47  -5.197   4.382  10.905
  462   2HG2  ILE  47          2HG2      ILE  47  -6.746   4.578  11.728
  463   3HG2  ILE  47          3HG2      ILE  47  -6.287   5.685  10.433
  464   1HD1  ILE  47          1HD1      ILE  47  -4.793   1.868   9.215
  465   2HD1  ILE  47          2HD1      ILE  47  -5.124   0.900  10.653
  466   3HD1  ILE  47          3HD1      ILE  47  -4.665   2.596  10.817
  467    H    TYR  48           HN       TYR  48  -9.340   4.787   7.430
  468    HA   TYR  48           HA       TYR  48 -10.592   2.241   6.868
  469   1HB   TYR  48          2HB       TYR  48 -11.872   3.395   5.185
  470   2HB   TYR  48          1HB       TYR  48 -11.890   4.308   6.684
  471    HD1  TYR  48           1HD      TYR  48  -9.250   4.293   4.094
  472    HD2  TYR  48           2HD      TYR  48 -12.403   6.478   5.917
  473    HE1  TYR  48           1HE      TYR  48  -8.507   6.319   2.920
  474    HE2  TYR  48           2HE      TYR  48 -11.666   8.517   4.759
  475    HH   TYR  48           HH       TYR  48  -9.530   8.495   2.179
  476    H    LEU  49           HN       LEU  49  -7.640   3.487   6.316
  477    HA   LEU  49           HA       LEU  49  -7.389   2.444   3.571
  478   1HB   LEU  49          2HB       LEU  49  -6.426   4.855   4.853
  479   2HB   LEU  49          1HB       LEU  49  -5.089   3.906   4.224
  480    HG   LEU  49           HG       LEU  49  -7.468   4.649   2.535
  481   1HD1  LEU  49          1HD1      LEU  49  -6.426   6.700   3.354
  482   2HD1  LEU  49          2HD1      LEU  49  -6.097   6.462   1.636
  483   3HD1  LEU  49          3HD1      LEU  49  -4.847   6.113   2.832
  484   1HD2  LEU  49          1HD2      LEU  49  -4.655   3.793   1.858
  485   2HD2  LEU  49          2HD2      LEU  49  -5.944   4.153   0.709
  486   3HD2  LEU  49          3HD2      LEU  49  -6.086   2.765   1.786
  487    H    THR  50           HN       THR  50  -5.035   3.099   6.117
  488    HA   THR  50           HA       THR  50  -3.672   1.737   7.310
  489    HB   THR  50           HB       THR  50  -5.226  -0.522   6.073
  490    HG1  THR  50           1HG      THR  50  -6.610  -0.324   7.726
  491   1HG2  THR  50          1HG2      THR  50  -3.045  -1.209   7.044
  492   2HG2  THR  50          2HG2      THR  50  -4.423  -1.882   7.917
  493   3HG2  THR  50          3HG2      THR  50  -3.547  -0.504   8.583
  494    H    ILE  51           HN       ILE  51  -4.161   1.124   3.930
  495    HA   ILE  51           HA       ILE  51  -1.938  -0.528   3.445
  496    HB   ILE  51           HB       ILE  51  -2.965   1.344   1.325
  497   1HG1  ILE  51          2HG1      ILE  51  -4.379  -1.142   2.310
  498   2HG1  ILE  51          1HG1      ILE  51  -4.880   0.505   2.668
  499   1HG2  ILE  51          1HG2      ILE  51  -2.137  -1.555   1.336
  500   2HG2  ILE  51          2HG2      ILE  51  -1.180  -0.196   0.746
  501   3HG2  ILE  51          3HG2      ILE  51  -2.673  -0.646  -0.075
  502   1HD1  ILE  51          1HD1      ILE  51  -4.747  -0.743  -0.061
  503   2HD1  ILE  51          2HD1      ILE  51  -5.257   0.907   0.296
  504   3HD1  ILE  51          3HD1      ILE  51  -6.208  -0.457   0.885
  505    H    GLN  52           HN       GLN  52  -2.239   2.975   2.580
  506    HA   GLN  52           HA       GLN  52   0.658   3.069   2.588
  507   1HB   GLN  52          2HB       GLN  52   0.592   5.186   1.651
  508   2HB   GLN  52          1HB       GLN  52  -0.833   4.421   0.951
  509   1HG   GLN  52          2HG       GLN  52  -2.267   5.782   2.075
  510   2HG   GLN  52          1HG       GLN  52  -1.191   5.959   3.460
  511   1HE2  GLN  52          1HE2      GLN  52  -1.137   8.134   3.617
  512   2HE2  GLN  52          2HE2      GLN  52  -0.525   9.186   2.380
  513    H    GLU  53           HN       GLU  53  -1.677   3.214   4.904
  514    HA   GLU  53           HA       GLU  53  -0.533   5.251   6.582
  515   1HB   GLU  53          2HB       GLU  53  -2.949   4.290   6.627
  516   2HB   GLU  53          1HB       GLU  53  -2.251   2.945   7.518
  517   1HG   GLU  53          2HG       GLU  53  -2.155   5.831   8.378
  518   2HG   GLU  53          1HG       GLU  53  -3.324   4.645   8.945
  519    H    GLU  54           HN       GLU  54  -0.533   1.737   6.409
  520    HA   GLU  54           HA       GLU  54   1.483   1.270   8.314
  521   1HB   GLU  54          2HB       GLU  54   0.309  -0.298   6.015
  522   2HB   GLU  54          1HB       GLU  54   1.662  -0.943   6.966
  523   1HG   GLU  54          2HG       GLU  54   0.274  -0.666   9.011
  524   2HG   GLU  54          1HG       GLU  54  -1.062  -0.150   7.984
  525    H    ASN  55           HN       ASN  55   1.545   1.882   4.837
  526    HA   ASN  55           HA       ASN  55   4.438   1.616   4.753
  527   1HB   ASN  55          2HB       ASN  55   3.099   0.823   2.846
  528   2HB   ASN  55          1HB       ASN  55   2.497   2.458   2.588
  529   1HD2  ASN  55          1HD2      ASN  55   5.173   0.293   2.220
  530   2HD2  ASN  55          2HD2      ASN  55   6.124   1.318   1.195
  531    H    ASN  56           HN       ASN  56   2.876   4.133   2.945
  532    HA   ASN  56           HA       ASN  56   2.979   6.397   2.925
  533   1HB   ASN  56          2HB       ASN  56   2.199   6.146   5.280
  534   2HB   ASN  56          1HB       ASN  56   3.881   6.211   5.803
  535   1HD2  ASN  56          1HD2      ASN  56   1.180   8.000   4.596
  536   2HD2  ASN  56          2HD2      ASN  56   1.855   9.575   4.815
  537    H    ARG  57           HN       ARG  57   5.557   4.454   3.207
  538    HA   ARG  57           HA       ARG  57   7.501   6.304   2.339
  539   1HB   ARG  57          2HB       ARG  57   9.017   5.948   4.396
  540   2HB   ARG  57          1HB       ARG  57   7.717   7.125   4.524
  541   1HG   ARG  57          2HG       ARG  57   6.340   5.283   5.587
  542   2HG   ARG  57          1HG       ARG  57   7.840   4.362   5.698
  543   1HD   ARG  57          2HD       ARG  57   7.469   7.121   6.843
  544   2HD   ARG  57          1HD       ARG  57   7.207   5.639   7.757
  545    HE   ARG  57           HE       ARG  57   9.803   5.792   6.529
  546   1HH1  ARG  57          1HH1      ARG  57   7.878   6.649   9.332
  547   2HH1  ARG  57          2HH1      ARG  57   9.256   6.774  10.391
  548   1HH2  ARG  57          1HH2      ARG  57  11.624   5.979   7.943
  549   2HH2  ARG  57          2HH2      ARG  57  11.355   6.399   9.609
  550    H    ALA  58           HN       ALA  58   7.463   3.346   4.356
  551    HA   ALA  58           HA       ALA  58   8.021   1.573   2.258
  552   1HB   ALA  58          1HB       ALA  58  10.473   2.310   3.859
  553   2HB   ALA  58          2HB       ALA  58  10.193   2.709   2.166
  554   3HB   ALA  58          3HB       ALA  58  10.362   1.025   2.658
  555    H    ALA  59           HN       ALA  59   6.368   0.557   3.513
  556    HA   ALA  59           HA       ALA  59   7.075  -0.500   6.120
  557   1HB   ALA  59          1HB       ALA  59   4.761   0.167   5.675
  558   2HB   ALA  59          2HB       ALA  59   4.874  -1.547   6.077
  559   3HB   ALA  59          3HB       ALA  59   4.659  -1.049   4.399
  560    H    ALA  60           HN       ALA  60   8.162  -2.300   6.412
  561    HA   ALA  60           HA       ALA  60   7.796  -4.764   5.223
  562   1HB   ALA  60          1HB       ALA  60   8.528  -3.727   3.120
  563   2HB   ALA  60          2HB       ALA  60   9.641  -4.986   3.650
  564   3HB   ALA  60          3HB       ALA  60  10.061  -3.288   3.875
  565    H    LEU  61           HN       LEU  61   9.362  -2.663   7.244
  566    HA   LEU  61           HA       LEU  61  11.666  -4.378   7.778
  567   1HB   LEU  61          2HB       LEU  61  10.932  -1.658   8.863
  568   2HB   LEU  61          1HB       LEU  61  12.410  -2.525   9.233
  569    HG   LEU  61           HG       LEU  61  11.612  -1.540   6.490
  570   1HD1  LEU  61          1HD1      LEU  61  12.153   0.299   7.985
  571   2HD1  LEU  61          2HD1      LEU  61  13.434   0.072   6.793
  572   3HD1  LEU  61          3HD1      LEU  61  13.656  -0.498   8.449
  573   1HD2  LEU  61          1HD2      LEU  61  13.872  -2.173   5.839
  574   2HD2  LEU  61          2HD2      LEU  61  12.981  -3.574   6.435
  575   3HD2  LEU  61          3HD2      LEU  61  14.182  -2.790   7.462
  576    H    SER  62           HN       SER  62  12.143  -5.175   9.841
  577    HA   SER  62           HA       SER  62  11.776  -6.045  11.898
  578   1HB   SER  62          2HB       SER  62  11.389  -3.624  12.436
  579   2HB   SER  62          1HB       SER  62   9.663  -3.894  12.196
  580    HG   SER  62           HG       SER  62   9.540  -4.900  14.056
  581    H    SER  63           HN       SER  63  10.241  -6.968   9.570
  582    HA   SER  63           HA       SER  63   8.567  -8.395   9.008
  583   1HB   SER  63          2HB       SER  63   8.524  -8.899  11.984
  584   2HB   SER  63          1HB       SER  63   7.798  -9.943  10.760
  585    HG   SER  63           HG       SER  63  10.323  -9.884  11.655
  586    H    ASP  64           HN       ASP  64   7.967  -5.570   9.818
  587    HA   ASP  64           HA       ASP  64   5.236  -5.784  10.745
  588   1HB   ASP  64          2HB       ASP  64   6.815  -3.814  11.257
  589   2HB   ASP  64          1HB       ASP  64   6.506  -3.300   9.602
  590    H    VAL  65           HN       VAL  65   3.902  -6.664   9.376
  591    HA   VAL  65           HA       VAL  65   2.706  -7.188   7.574
  592    HB   VAL  65           HB       VAL  65   3.721  -4.532   6.653
  593   1HG1  VAL  65          1HG1      VAL  65   1.942  -4.573   4.947
  594   2HG1  VAL  65          2HG1      VAL  65   1.559  -6.235   5.404
  595   3HG1  VAL  65          3HG1      VAL  65   3.126  -5.854   4.687
  596   1HG2  VAL  65          1HG2      VAL  65   1.462  -3.766   7.224
  597   2HG2  VAL  65          2HG2      VAL  65   2.306  -4.448   8.615
  598   3HG2  VAL  65          3HG2      VAL  65   1.067  -5.392   7.784
  599    H    ILE  66           HN       ILE  66   5.700  -5.706   6.337
  600    HA   ILE  66           HA       ILE  66   7.380  -6.543   5.064
  601    HB   ILE  66           HB       ILE  66   5.978  -9.216   5.300
  602   1HG1  ILE  66          2HG1      ILE  66   8.344  -8.085   6.820
  603   2HG1  ILE  66          1HG1      ILE  66   6.707  -8.232   7.455
  604   1HG2  ILE  66          1HG2      ILE  66   8.762  -8.535   4.350
  605   2HG2  ILE  66          2HG2      ILE  66   7.447  -9.194   3.376
  606   3HG2  ILE  66          3HG2      ILE  66   8.166 -10.167   4.659
  607   1HD1  ILE  66          1HD1      ILE  66   8.468 -10.516   6.600
  608   2HD1  ILE  66          2HD1      ILE  66   6.844 -10.650   7.275
  609   3HD1  ILE  66          3HD1      ILE  66   8.157 -10.011   8.261
  610    H    SER  67           HN       SER  67   4.090  -7.048   4.242
  611    HA   SER  67           HA       SER  67   2.912  -6.633   2.369
  612   1HB   SER  67          2HB       SER  67   4.422  -4.848   1.768
  613   2HB   SER  67          1HB       SER  67   5.588  -5.998   1.117
  614    HG   SER  67           HG       SER  67   3.151  -5.120   0.057
  615    H    ALA  68           HN       ALA  68   5.904  -8.267   1.240
  616    HA   ALA  68           HA       ALA  68   4.451 -10.022  -0.476
  617   1HB   ALA  68          1HB       ALA  68   6.567 -11.197  -0.753
  618   2HB   ALA  68          2HB       ALA  68   7.252 -10.312   0.611
  619   3HB   ALA  68          3HB       ALA  68   6.809  -9.453  -0.864
  620    H    LEU  69           HN       LEU  69   3.217 -11.609   0.108
  621    HA   LEU  69           HA       LEU  69   2.297 -13.368   1.210
  622   1HB   LEU  69          2HB       LEU  69   4.951 -13.587   2.629
  623   2HB   LEU  69          1HB       LEU  69   3.709 -14.823   2.557
  624    HG   LEU  69           HG       LEU  69   5.251 -13.772   0.181
  625   1HD1  LEU  69          1HD1      LEU  69   6.342 -15.978   0.206
  626   2HD1  LEU  69          2HD1      LEU  69   5.509 -16.363   1.713
  627   3HD1  LEU  69          3HD1      LEU  69   6.687 -15.051   1.665
  628   1HD2  LEU  69          1HD2      LEU  69   4.227 -15.651  -1.015
  629   2HD2  LEU  69          2HD2      LEU  69   3.012 -14.526  -0.409
  630   3HD2  LEU  69          3HD2      LEU  69   3.289 -16.058   0.424
  631    H    SER  70           HN       SER  70   4.036 -11.102   3.247
  632    HA   SER  70           HA       SER  70   3.447  -9.925   5.070
  633   1HB   SER  70          2HB       SER  70   1.146  -9.858   4.006
  634   2HB   SER  70          1HB       SER  70   0.728 -11.255   4.996
  635    HG   SER  70           HG       SER  70   1.537  -9.782   6.802
  636    H    SER  71           HN       SER  71   1.796 -13.074   5.477
  637    HA   SER  71           HA       SER  71   2.647 -13.352   8.166
  638   1HB   SER  71          2HB       SER  71   1.966 -15.662   6.350
  639   2HB   SER  71          1HB       SER  71   1.675 -15.504   8.082
  640    HG   SER  71           HG       SER  71   0.038 -14.056   7.681
  641    H    GLN  72           HN       GLN  72   3.974 -14.219   5.067
  642    HA   GLN  72           HA       GLN  72   5.979 -15.024   4.381
  643   1HB   GLN  72          2HB       GLN  72   6.706 -14.217   7.193
  644   2HB   GLN  72          1HB       GLN  72   7.880 -14.921   6.090
  645   1HG   GLN  72          2HG       GLN  72   6.289 -12.487   5.333
  646   2HG   GLN  72          1HG       GLN  72   7.777 -12.370   6.280
  647   1HE2  GLN  72          1HE2      GLN  72   6.411 -13.102   3.179
  648   2HE2  GLN  72          2HE2      GLN  72   7.907 -13.178   2.304
  649    H    LYS  73           HN       LYS  73   7.783 -16.774   5.218
  650    HA   LYS  73           HA       LYS  73   6.146 -19.079   5.906
  651   1HB   LYS  73          2HB       LYS  73   9.040 -18.935   5.041
  652   2HB   LYS  73          1HB       LYS  73   8.147 -20.419   5.340
  653   1HG   LYS  73          2HG       LYS  73   7.743 -20.381   3.147
  654   2HG   LYS  73          1HG       LYS  73   6.524 -19.170   3.549
  655   1HD   LYS  73          2HD       LYS  73   7.833 -18.296   1.760
  656   2HD   LYS  73          1HD       LYS  73   8.294 -17.420   3.222
  657   1HE   LYS  73          2HE       LYS  73  10.268 -18.017   1.931
  658   2HE   LYS  73          1HE       LYS  73  10.251 -18.876   3.470
  659   1HZ   LYS  73          1HZ       LYS  73  10.889 -20.331   1.642
  660   2HZ   LYS  73          2HZ       LYS  73   9.426 -20.014   0.849
  661   3HZ   LYS  73          3HZ       LYS  73   9.425 -20.843   2.329
  662    H    LYS  74           HN       LYS  74   5.794 -19.248   8.009
  663    HA   LYS  74           HA       LYS  74   8.078 -19.519   9.798
  664   1HB   LYS  74          2HB       LYS  74   5.791 -17.603  10.323
  665   2HB   LYS  74          1HB       LYS  74   7.011 -18.056  11.503
  666   1HG   LYS  74          2HG       LYS  74   8.742 -17.054  10.102
  667   2HG   LYS  74          1HG       LYS  74   7.515 -16.597   8.918
  668   1HD   LYS  74          2HD       LYS  74   6.424 -15.182  10.571
  669   2HD   LYS  74          1HD       LYS  74   7.604 -15.674  11.789
  670   1HE   LYS  74          2HE       LYS  74   8.162 -14.140   9.254
  671   2HE   LYS  74          1HE       LYS  74   8.190 -13.502  10.898
  672   1HZ   LYS  74          1HZ       LYS  74   9.976 -15.220  11.330
  673   2HZ   LYS  74          2HZ       LYS  74  10.404 -13.905  10.346
  674   3HZ   LYS  74          3HZ       LYS  74  10.067 -15.412   9.645
  Start of MODEL    4
    1    H    HIS  -9           H        HIS  -9  13.767  19.884 -17.922
    2    HA   HIS  -9           HA       HIS  -9  15.567  19.391 -16.413
    3   1HB   HIS  -9          2HB       HIS  -9  15.347  21.624 -17.657
    4   2HB   HIS  -9          1HB       HIS  -9  14.859  22.312 -16.113
    5    HD1  HIS  -9           1HD      HIS  -9  17.731  21.950 -18.143
    6    HD2  HIS  -9           2HD      HIS  -9  17.028  21.645 -14.052
    7    HE1  HIS  -9           1HE      HIS  -9  19.974  22.240 -17.043
    8    HE2  HIS  -9           2HE      HIS  -9  19.522  22.119 -14.564
    9    H    SER  -8           HN       SER  -8  13.064  21.403 -14.841
   10    HA   SER  -8           HA       SER  -8  14.215  20.904 -12.239
   11   1HB   SER  -8          2HB       SER  -8  13.124  23.071 -12.865
   12   2HB   SER  -8          1HB       SER  -8  11.577  22.227 -12.911
   13    HG   SER  -8           HG       SER  -8  11.545  22.106 -10.782
   14    H    SER  -7           HN       SER  -7  12.023  19.292 -14.281
   15    HA   SER  -7           HA       SER  -7  10.394  18.118 -12.245
   16   1HB   SER  -7          2HB       SER  -7   9.702  18.359 -14.652
   17   2HB   SER  -7          1HB       SER  -7  10.853  17.088 -15.055
   18    HG   SER  -7           HG       SER  -7   9.553  15.963 -13.221
   19    H    GLY  -6           HN       GLY  -6  13.589  17.736 -12.901
   20   1HA   GLY  -6          2HA       GLY  -6  13.814  14.926 -12.290
   21   2HA   GLY  -6          1HA       GLY  -6  15.126  16.104 -12.301
   22    H    HIS  -5           HN       HIS  -5  12.746  17.458 -10.582
   23    HA   HIS  -5           HA       HIS  -5  14.002  17.166  -8.056
   24   1HB   HIS  -5          2HB       HIS  -5  12.685  19.164  -8.829
   25   2HB   HIS  -5          1HB       HIS  -5  11.222  18.203  -8.695
   26    HD1  HIS  -5           1HD      HIS  -5  13.509  20.329  -6.779
   27    HD2  HIS  -5           2HD      HIS  -5  10.558  17.516  -5.984
   28    HE1  HIS  -5           1HE      HIS  -5  12.893  20.661  -4.359
   29    HE2  HIS  -5           2HE      HIS  -5  11.084  18.961  -3.896
   30    H    ILE  -4           HN       ILE  -4  13.898  15.361  -6.882
   31    HA   ILE  -4           HA       ILE  -4  11.848  13.412  -7.351
   32    HB   ILE  -4           HB       ILE  -4  14.094  12.634  -6.907
   33   1HG1  ILE  -4          2HG1      ILE  -4  13.624  11.030  -5.056
   34   2HG1  ILE  -4          1HG1      ILE  -4  12.169  11.948  -4.679
   35   1HG2  ILE  -4          1HG2      ILE  -4  13.825  13.929  -4.199
   36   2HG2  ILE  -4          2HG2      ILE  -4  14.907  14.425  -5.501
   37   3HG2  ILE  -4          3HG2      ILE  -4  15.146  12.870  -4.702
   38   1HD1  ILE  -4          1HD1      ILE  -4  11.260  11.438  -6.872
   39   2HD1  ILE  -4          2HD1      ILE  -4  11.678   9.960  -6.001
   40   3HD1  ILE  -4          3HD1      ILE  -4  12.731  10.554  -7.286
   41    H    GLU  -3           HN       GLU  -3   9.940  13.423  -6.464
   42    HA   GLU  -3           HA       GLU  -3   9.581  14.690  -3.836
   43   1HB   GLU  -3          2HB       GLU  -3   7.525  14.020  -5.954
   44   2HB   GLU  -3          1HB       GLU  -3   7.195  14.820  -4.423
   45   1HG   GLU  -3          2HG       GLU  -3   8.455  16.740  -5.080
   46   2HG   GLU  -3          1HG       GLU  -3   9.017  15.927  -6.540
   47    H    GLY  -2           HN       GLY  -2   8.437  13.573  -2.235
   48   1HA   GLY  -2          2HA       GLY  -2   8.983  10.801  -2.127
   49   2HA   GLY  -2          1HA       GLY  -2   8.020  11.707  -0.968
   50    H    ARG  -1           HN       ARG  -1   7.928   9.208  -3.032
   51    HA   ARG  -1           HA       ARG  -1   5.011   9.357  -3.199
   52   1HB   ARG  -1          2HB       ARG  -1   4.913   8.582  -5.401
   53   2HB   ARG  -1          1HB       ARG  -1   6.230   9.744  -5.454
   54   1HG   ARG  -1          2HG       ARG  -1   6.616   6.769  -5.177
   55   2HG   ARG  -1          1HG       ARG  -1   6.632   7.632  -6.714
   56   1HD   ARG  -1          2HD       ARG  -1   8.503   9.039  -5.793
   57   2HD   ARG  -1          1HD       ARG  -1   8.555   7.939  -4.416
   58    HE   ARG  -1           HE       ARG  -1   8.786   6.678  -7.013
   59   1HH1  ARG  -1          1HH1      ARG  -1  10.456   8.016  -4.253
   60   2HH1  ARG  -1          2HH1      ARG  -1  11.962   7.224  -4.597
   61   1HH2  ARG  -1          1HH2      ARG  -1  10.759   5.633  -7.505
   62   2HH2  ARG  -1          2HH2      ARG  -1  12.128   5.858  -6.457
   63    H    HIS   0           HN       HIS   0   4.031   7.131  -3.351
   64    HA   HIS   0           HA       HIS   0   5.809   5.035  -2.393
   65   1HB   HIS   0          2HB       HIS   0   4.316   4.430  -0.508
   66   2HB   HIS   0          1HB       HIS   0   5.086   5.994  -0.302
   67    HD1  HIS   0           1HD      HIS   0   3.460   7.263   1.063
   68    HD2  HIS   0           2HD      HIS   0   1.608   5.281  -2.073
   69    HE1  HIS   0           1HE      HIS   0   1.072   8.024   1.112
   70    HE2  HIS   0           2HE      HIS   0  -0.075   6.671  -0.677
   71    H    MET   1           HN       MET   1   5.326   3.104  -3.193
   72    HA   MET   1           HA       MET   1   2.581   2.646  -4.156
   73   1HB   MET   1          2HB       MET   1   4.258   2.607  -5.976
   74   2HB   MET   1          1HB       MET   1   5.146   1.352  -5.122
   75   1HG   MET   1          2HG       MET   1   3.311  -0.190  -5.394
   76   2HG   MET   1          1HG       MET   1   2.325   1.072  -6.134
   77   1HE   MET   1          1HE       MET   1   4.211   1.720  -9.503
   78   2HE   MET   1          2HE       MET   1   4.400   2.582  -7.976
   79   3HE   MET   1          3HE       MET   1   2.791   2.113  -8.529
   80    H    LEU   2           HN       LEU   2   1.609   1.621  -2.465
   81    HA   LEU   2           HA       LEU   2   3.200  -0.394  -1.042
   82   1HB   LEU   2          2HB       LEU   2   2.031   1.573   0.203
   83   2HB   LEU   2          1HB       LEU   2   0.557   0.669  -0.091
   84    HG   LEU   2           HG       LEU   2   1.790   0.387   2.184
   85   1HD1  LEU   2          1HD1      LEU   2  -0.153  -0.936   1.513
   86   2HD1  LEU   2          2HD1      LEU   2   1.028  -1.923   2.372
   87   3HD1  LEU   2          3HD1      LEU   2   0.900  -2.031   0.616
   88   1HD2  LEU   2          1HD2      LEU   2   3.362  -1.533   0.467
   89   2HD2  LEU   2          2HD2      LEU   2   3.391  -1.456   2.227
   90   3HD2  LEU   2          3HD2      LEU   2   4.004  -0.105   1.280
   91    H    VAL   3           HN       VAL   3   2.835  -2.426  -1.459
   92    HA   VAL   3           HA       VAL   3   0.556  -3.220  -3.037
   93    HB   VAL   3           HB       VAL   3   1.822  -5.460  -2.904
   94   1HG1  VAL   3          1HG1      VAL   3   1.717  -4.081  -4.905
   95   2HG1  VAL   3          2HG1      VAL   3   3.339  -4.744  -4.707
   96   3HG1  VAL   3          3HG1      VAL   3   3.017  -3.061  -4.286
   97   1HG2  VAL   3          1HG2      VAL   3   3.971  -3.571  -1.968
   98   2HG2  VAL   3          2HG2      VAL   3   4.224  -5.240  -2.478
   99   3HG2  VAL   3          3HG2      VAL   3   3.274  -4.894  -1.034
  100    H    LEU   4           HN       LEU   4  -1.119  -4.313  -2.323
  101    HA   LEU   4           HA       LEU   4  -1.215  -5.172   0.494
  102   1HB   LEU   4          2HB       LEU   4  -3.597  -4.720  -1.281
  103   2HB   LEU   4          1HB       LEU   4  -3.556  -4.825   0.444
  104    HG   LEU   4           HG       LEU   4  -2.400  -2.596   0.490
  105   1HD1  LEU   4          1HD1      LEU   4  -3.332  -2.534  -2.380
  106   2HD1  LEU   4          2HD1      LEU   4  -1.649  -2.584  -1.856
  107   3HD1  LEU   4          3HD1      LEU   4  -2.650  -1.185  -1.468
  108   1HD2  LEU   4          1HD2      LEU   4  -5.161  -2.775  -0.701
  109   2HD2  LEU   4          2HD2      LEU   4  -4.503  -1.426   0.223
  110   3HD2  LEU   4          3HD2      LEU   4  -4.761  -2.984   1.004
  111    H    SER   5           HN       SER   5  -1.829  -7.301   0.884
  112    HA   SER   5           HA       SER   5  -1.815  -9.013  -1.472
  113   1HB   SER   5          2HB       SER   5  -1.792 -10.828   0.404
  114   2HB   SER   5          1HB       SER   5  -0.344  -9.871   0.105
  115    HG   SER   5           HG       SER   5  -0.673  -8.748   1.922
  116    H    ARG   6           HN       ARG   6  -3.741  -9.186  -2.434
  117    HA   ARG   6           HA       ARG   6  -6.020 -10.181  -0.919
  118   1HB   ARG   6          2HB       ARG   6  -6.207  -7.697  -0.810
  119   2HB   ARG   6          1HB       ARG   6  -6.186  -7.641  -2.564
  120   1HG   ARG   6          2HG       ARG   6  -8.426  -7.422  -2.019
  121   2HG   ARG   6          1HG       ARG   6  -8.268  -9.125  -2.447
  122   1HD   ARG   6          2HD       ARG   6  -8.381  -9.807  -0.201
  123   2HD   ARG   6          1HD       ARG   6  -8.049  -8.180   0.395
  124    HE   ARG   6           HE       ARG   6 -10.463  -8.321  -1.152
  125   1HH1  ARG   6          1HH1      ARG   6  -9.168  -8.996   2.050
  126   2HH1  ARG   6          2HH1      ARG   6 -10.666  -8.633   2.858
  127   1HH2  ARG   6          1HH2      ARG   6 -12.397  -7.835  -0.088
  128   2HH2  ARG   6          2HH2      ARG   6 -12.495  -7.970   1.642
  129    H    LYS   7           HN       LYS   7  -6.844 -11.814  -2.149
  130    HA   LYS   7           HA       LYS   7  -5.751 -11.961  -4.869
  131   1HB   LYS   7          2HB       LYS   7  -6.605 -14.221  -3.047
  132   2HB   LYS   7          1HB       LYS   7  -5.869 -14.401  -4.634
  133   1HG   LYS   7          2HG       LYS   7  -4.058 -14.722  -3.268
  134   2HG   LYS   7          1HG       LYS   7  -3.936 -12.990  -3.582
  135   1HD   LYS   7          2HD       LYS   7  -5.392 -12.798  -1.415
  136   2HD   LYS   7          1HD       LYS   7  -4.792 -14.421  -1.102
  137   1HE   LYS   7          2HE       LYS   7  -2.491 -13.577  -1.329
  138   2HE   LYS   7          1HE       LYS   7  -3.132 -11.940  -1.553
  139   1HZ   LYS   7          1HZ       LYS   7  -2.427 -12.425   0.762
  140   2HZ   LYS   7          2HZ       LYS   7  -3.607 -13.639   0.857
  141   3HZ   LYS   7          3HZ       LYS   7  -4.072 -12.025   0.651
  142    H    ILE   8           HN       ILE   8  -8.358 -10.818  -3.868
  143    HA   ILE   8           HA       ILE   8 -10.285 -12.493  -5.286
  144    HB   ILE   8           HB       ILE   8 -10.898  -9.941  -3.809
  145   1HG1  ILE   8          2HG1      ILE   8 -10.627 -12.736  -2.655
  146   2HG1  ILE   8          1HG1      ILE   8  -9.585 -11.364  -2.292
  147   1HG2  ILE   8          1HG2      ILE   8 -13.078 -11.038  -3.464
  148   2HG2  ILE   8          2HG2      ILE   8 -12.509 -12.430  -4.388
  149   3HG2  ILE   8          3HG2      ILE   8 -12.687 -10.861  -5.175
  150   1HD1  ILE   8          1HD1      ILE   8 -12.519 -11.559  -1.635
  151   2HD1  ILE   8          2HD1      ILE   8 -11.451 -10.215  -1.238
  152   3HD1  ILE   8          3HD1      ILE   8 -11.187 -11.796  -0.506
  153    H    ASN   9           HN       ASN   9  -8.183 -10.127  -5.964
  154    HA   ASN   9           HA       ASN   9  -8.144  -8.178  -7.190
  155   1HB   ASN   9          2HB       ASN   9  -9.019 -10.184  -9.261
  156   2HB   ASN   9          1HB       ASN   9  -8.142  -8.695  -9.535
  157   1HD2  ASN   9          1HD2      ASN   9  -7.413 -11.482 -10.065
  158   2HD2  ASN   9          2HD2      ASN   9  -5.910 -11.717  -9.243
  159    H    GLU  10           HN       GLU  10  -9.913  -7.328  -6.000
  160    HA   GLU  10           HA       GLU  10 -12.358  -6.876  -7.538
  161   1HB   GLU  10          2HB       GLU  10 -13.034  -5.873  -5.248
  162   2HB   GLU  10          1HB       GLU  10 -12.838  -7.623  -5.341
  163   1HG   GLU  10          2HG       GLU  10 -10.461  -7.269  -4.546
  164   2HG   GLU  10          1HG       GLU  10 -10.933  -5.610  -4.171
  165    H    ALA  11           HN       ALA  11 -12.564  -4.413  -5.692
  166    HA   ALA  11           HA       ALA  11 -10.354  -2.745  -6.635
  167   1HB   ALA  11          1HB       ALA  11 -13.259  -2.023  -7.105
  168   2HB   ALA  11          2HB       ALA  11 -12.069  -2.413  -8.350
  169   3HB   ALA  11          3HB       ALA  11 -11.881  -0.955  -7.374
  170    H    ILE  12           HN       ILE  12  -9.796  -1.220  -5.113
  171    HA   ILE  12           HA       ILE  12 -11.350  -1.440  -2.625
  172    HB   ILE  12           HB       ILE  12  -8.455  -0.624  -2.935
  173   1HG1  ILE  12          2HG1      ILE  12  -8.766  -2.981  -3.534
  174   2HG1  ILE  12          1HG1      ILE  12  -7.915  -2.833  -2.001
  175   1HG2  ILE  12          1HG2      ILE  12 -10.070  -1.284  -0.474
  176   2HG2  ILE  12          2HG2      ILE  12  -9.521   0.322  -0.959
  177   3HG2  ILE  12          3HG2      ILE  12  -8.346  -0.913  -0.509
  178   1HD1  ILE  12          1HD1      ILE  12  -9.979  -3.335  -0.804
  179   2HD1  ILE  12          2HD1      ILE  12  -9.552  -4.620  -1.932
  180   3HD1  ILE  12          3HD1      ILE  12 -10.836  -3.480  -2.339
  181    H    GLN  13           HN       GLN  13 -12.663   0.180  -2.422
  182    HA   GLN  13           HA       GLN  13 -11.742   2.925  -2.988
  183   1HB   GLN  13          2HB       GLN  13 -13.658   2.452  -4.331
  184   2HB   GLN  13          1HB       GLN  13 -14.486   1.659  -2.999
  185   1HG   GLN  13          2HG       GLN  13 -15.524   3.767  -3.372
  186   2HG   GLN  13          1HG       GLN  13 -14.636   3.862  -1.856
  187   1HE2  GLN  13          1HE2      GLN  13 -12.824   5.182  -1.725
  188   2HE2  GLN  13          2HE2      GLN  13 -12.478   6.380  -2.918
  189    H    ILE  14           HN       ILE  14 -10.854   3.541  -1.107
  190    HA   ILE  14           HA       ILE  14 -12.561   3.252   1.259
  191    HB   ILE  14           HB       ILE  14 -10.533   3.459   2.668
  192   1HG1  ILE  14          2HG1      ILE  14  -9.136   4.432   0.700
  193   2HG1  ILE  14          1HG1      ILE  14  -8.355   3.364   1.857
  194   1HG2  ILE  14          1HG2      ILE  14 -10.640   1.119   0.776
  195   2HG2  ILE  14          2HG2      ILE  14 -11.554   1.314   2.273
  196   3HG2  ILE  14          3HG2      ILE  14  -9.799   1.136   2.327
  197   1HD1  ILE  14          1HD1      ILE  14  -7.672   2.860  -0.408
  198   2HD1  ILE  14          2HD1      ILE  14  -9.351   2.588  -0.873
  199   3HD1  ILE  14          3HD1      ILE  14  -8.570   1.511   0.284
  200    H    GLY  15           HN       GLY  15 -13.605   5.018   1.565
  201   1HA   GLY  15          2HA       GLY  15 -13.827   7.074   2.570
  202   2HA   GLY  15          1HA       GLY  15 -12.097   7.328   2.384
  203    H    ALA  16           HN       ALA  16 -11.405   7.546   0.051
  204    HA   ALA  16           HA       ALA  16 -12.791   8.619  -1.997
  205   1HB   ALA  16          1HB       ALA  16 -12.265  10.842  -0.016
  206   2HB   ALA  16          2HB       ALA  16 -13.854  10.191  -0.413
  207   3HB   ALA  16          3HB       ALA  16 -12.910  11.025  -1.647
  208    H    ASP  17           HN       ASP  17 -10.084   8.738   0.115
  209    HA   ASP  17           HA       ASP  17  -8.413  10.344  -1.563
  210   1HB   ASP  17          2HB       ASP  17  -8.131  10.219   0.921
  211   2HB   ASP  17          1HB       ASP  17  -7.585   8.556   0.739
  212    H    ILE  18           HN       ILE  18  -8.848   6.888  -0.909
  213    HA   ILE  18           HA       ILE  18  -7.190   6.407  -3.291
  214    HB   ILE  18           HB       ILE  18  -7.173   4.800  -0.737
  215   1HG1  ILE  18          2HG1      ILE  18  -5.738   6.794  -0.721
  216   2HG1  ILE  18          1HG1      ILE  18  -4.773   5.321  -0.735
  217   1HG2  ILE  18          1HG2      ILE  18  -7.198   3.293  -2.652
  218   2HG2  ILE  18          2HG2      ILE  18  -5.622   3.281  -1.860
  219   3HG2  ILE  18          3HG2      ILE  18  -5.845   4.165  -3.372
  220   1HD1  ILE  18          1HD1      ILE  18  -4.386   5.609  -3.135
  221   2HD1  ILE  18          2HD1      ILE  18  -3.820   6.993  -2.199
  222   3HD1  ILE  18          3HD1      ILE  18  -5.334   7.097  -3.098
  223    H    GLU  19           HN       GLU  19  -8.303   5.564  -4.837
  224    HA   GLU  19           HA       GLU  19 -10.017   3.258  -4.277
  225   1HB   GLU  19          2HB       GLU  19 -11.573   4.054  -6.096
  226   2HB   GLU  19          1HB       GLU  19 -11.617   5.005  -4.617
  227   1HG   GLU  19          2HG       GLU  19 -10.360   6.758  -5.606
  228   2HG   GLU  19          1HG       GLU  19  -9.985   5.775  -7.020
  229    H    VAL  20           HN       VAL  20  -9.019   1.586  -5.276
  230    HA   VAL  20           HA       VAL  20  -8.697   1.300  -7.994
  231    HB   VAL  20           HB       VAL  20  -7.039   3.179  -7.774
  232   1HG1  VAL  20          1HG1      VAL  20  -4.808   2.653  -6.865
  233   2HG1  VAL  20          2HG1      VAL  20  -5.445   1.129  -6.245
  234   3HG1  VAL  20          3HG1      VAL  20  -6.069   2.660  -5.631
  235   1HG2  VAL  20          1HG2      VAL  20  -5.308   2.131  -9.172
  236   2HG2  VAL  20          2HG2      VAL  20  -6.939   1.688  -9.679
  237   3HG2  VAL  20          3HG2      VAL  20  -5.959   0.544  -8.764
  238    H    LYS  21           HN       LYS  21  -7.893  -0.753  -8.533
  239    HA   LYS  21           HA       LYS  21  -6.261  -2.080  -6.498
  240   1HB   LYS  21          2HB       LYS  21  -8.765  -3.060  -7.617
  241   2HB   LYS  21          1HB       LYS  21  -7.431  -4.191  -7.821
  242   1HG   LYS  21          2HG       LYS  21  -7.036  -3.534  -5.273
  243   2HG   LYS  21          1HG       LYS  21  -8.777  -3.255  -5.366
  244   1HD   LYS  21          2HD       LYS  21  -8.094  -5.569  -4.632
  245   2HD   LYS  21          1HD       LYS  21  -9.171  -5.521  -6.030
  246   1HE   LYS  21          2HE       LYS  21  -7.562  -6.245  -7.472
  247   2HE   LYS  21          1HE       LYS  21  -6.250  -5.506  -6.557
  248   1HZ   LYS  21          1HZ       LYS  21  -7.719  -7.926  -5.663
  249   2HZ   LYS  21          2HZ       LYS  21  -6.310  -7.284  -4.990
  250   3HZ   LYS  21          3HZ       LYS  21  -6.268  -7.982  -6.532
  251    H    VAL  22           HN       VAL  22  -4.381  -1.688  -7.450
  252    HA   VAL  22           HA       VAL  22  -3.940  -2.455 -10.215
  253    HB   VAL  22           HB       VAL  22  -1.927  -1.666  -8.086
  254   1HG1  VAL  22          1HG1      VAL  22  -1.622  -1.846 -11.082
  255   2HG1  VAL  22          2HG1      VAL  22  -0.937  -2.968  -9.907
  256   3HG1  VAL  22          3HG1      VAL  22  -0.396  -1.290  -9.945
  257   1HG2  VAL  22          1HG2      VAL  22  -3.166  -0.001 -10.274
  258   2HG2  VAL  22          2HG2      VAL  22  -1.900   0.525  -9.166
  259   3HG2  VAL  22          3HG2      VAL  22  -3.506   0.139  -8.550
  260    H    ILE  23           HN       ILE  23  -3.913  -4.588 -10.624
  261    HA   ILE  23           HA       ILE  23  -3.173  -6.403  -8.471
  262    HB   ILE  23           HB       ILE  23  -4.366  -7.086 -11.163
  263   1HG1  ILE  23          2HG1      ILE  23  -5.912  -7.121  -8.618
  264   2HG1  ILE  23          1HG1      ILE  23  -5.646  -5.564  -9.404
  265   1HG2  ILE  23          1HG2      ILE  23  -4.132  -8.680  -8.627
  266   2HG2  ILE  23          2HG2      ILE  23  -3.201  -8.935 -10.103
  267   3HG2  ILE  23          3HG2      ILE  23  -4.945  -9.197 -10.105
  268   1HD1  ILE  23          1HD1      ILE  23  -7.767  -6.478 -10.079
  269   2HD1  ILE  23          2HD1      ILE  23  -6.999  -7.981 -10.592
  270   3HD1  ILE  23          3HD1      ILE  23  -6.668  -6.480 -11.458
  271    H    ALA  24           HN       ALA  24  -1.261  -7.297  -8.365
  272    HA   ALA  24           HA       ALA  24   0.456  -7.216 -10.754
  273   1HB   ALA  24          1HB       ALA  24   0.966  -5.343  -9.247
  274   2HB   ALA  24          2HB       ALA  24   2.314  -6.475  -9.381
  275   3HB   ALA  24          3HB       ALA  24   1.285  -6.493  -7.947
  276    H    VAL  25           HN       VAL  25   2.681  -8.372  -9.969
  277    HA   VAL  25           HA       VAL  25   1.792 -11.119  -9.573
  278    HB   VAL  25           HB       VAL  25   4.526 -10.123 -10.379
  279   1HG1  VAL  25          1HG1      VAL  25   4.495 -12.400  -9.481
  280   2HG1  VAL  25          2HG1      VAL  25   4.875 -12.383 -11.204
  281   3HG1  VAL  25          3HG1      VAL  25   3.262 -12.844 -10.659
  282   1HG2  VAL  25          1HG2      VAL  25   2.860  -9.382 -11.989
  283   2HG2  VAL  25          2HG2      VAL  25   2.240 -11.027 -12.122
  284   3HG2  VAL  25          3HG2      VAL  25   3.871 -10.653 -12.676
  285    H    GLU  26           HN       GLU  26   2.071 -12.194  -7.767
  286    HA   GLU  26           HA       GLU  26   4.271 -11.451  -5.944
  287   1HB   GLU  26          2HB       GLU  26   1.958 -10.991  -5.052
  288   2HB   GLU  26          1HB       GLU  26   1.615 -12.708  -5.202
  289   1HG   GLU  26          2HG       GLU  26   2.112 -12.300  -2.942
  290   2HG   GLU  26          1HG       GLU  26   3.506 -13.135  -3.624
  291    H    GLY  27           HN       GLY  27   4.444 -13.154  -8.184
  292   1HA   GLY  27          2HA       GLY  27   5.370 -15.198  -8.714
  293   2HA   GLY  27          1HA       GLY  27   5.300 -15.627  -7.008
  294    H    ASP  28           HN       ASP  28   3.324 -16.386  -6.144
  295    HA   ASP  28           HA       ASP  28   1.387 -17.352  -8.135
  296   1HB   ASP  28          2HB       ASP  28   1.164 -19.461  -6.877
  297   2HB   ASP  28          1HB       ASP  28   2.807 -19.240  -7.475
  298    H    GLN  29           HN       GLN  29   1.719 -15.206  -5.939
  299    HA   GLN  29           HA       GLN  29  -0.929 -15.622  -4.710
  300   1HB   GLN  29          2HB       GLN  29   0.852 -15.450  -3.029
  301   2HB   GLN  29          1HB       GLN  29   1.412 -13.954  -3.760
  302   1HG   GLN  29          2HG       GLN  29  -0.462 -12.753  -3.012
  303   2HG   GLN  29          1HG       GLN  29  -1.345 -14.227  -2.600
  304   1HE2  GLN  29          1HE2      GLN  29   1.013 -11.936  -1.652
  305   2HE2  GLN  29          2HE2      GLN  29   1.250 -12.503  -0.037
  306    H    VAL  30           HN       VAL  30  -2.364 -13.811  -4.754
  307    HA   VAL  30           HA       VAL  30  -1.613 -11.926  -6.871
  308    HB   VAL  30           HB       VAL  30  -4.486 -12.452  -6.221
  309   1HG1  VAL  30          1HG1      VAL  30  -3.075 -11.813  -8.806
  310   2HG1  VAL  30          2HG1      VAL  30  -3.866 -10.638  -7.752
  311   3HG1  VAL  30          3HG1      VAL  30  -4.819 -11.891  -8.549
  312   1HG2  VAL  30          1HG2      VAL  30  -3.533 -14.685  -6.488
  313   2HG2  VAL  30          2HG2      VAL  30  -2.825 -14.202  -8.031
  314   3HG2  VAL  30          3HG2      VAL  30  -4.578 -14.270  -7.846
  315    H    LYS  31           HN       LYS  31  -1.592  -9.856  -6.425
  316    HA   LYS  31           HA       LYS  31  -2.855  -8.935  -3.952
  317   1HB   LYS  31          2HB       LYS  31  -0.832  -7.948  -3.177
  318   2HB   LYS  31          1HB       LYS  31  -0.479  -9.625  -3.597
  319   1HG   LYS  31          2HG       LYS  31   0.233  -8.648  -5.880
  320   2HG   LYS  31          1HG       LYS  31   0.267  -7.104  -5.046
  321   1HD   LYS  31          2HD       LYS  31   1.813  -9.557  -4.249
  322   2HD   LYS  31          1HD       LYS  31   2.465  -8.169  -5.119
  323   1HE   LYS  31          2HE       LYS  31   1.749  -6.744  -3.180
  324   2HE   LYS  31          1HE       LYS  31   1.380  -8.244  -2.321
  325   1HZ   LYS  31          1HZ       LYS  31   3.656  -7.324  -1.893
  326   2HZ   LYS  31          2HZ       LYS  31   4.043  -7.703  -3.502
  327   3HZ   LYS  31          3HZ       LYS  31   3.616  -8.935  -2.419
  328    H    LEU  32           HN       LEU  32  -3.296  -6.737  -3.844
  329    HA   LEU  32           HA       LEU  32  -3.222  -5.283  -6.402
  330   1HB   LEU  32          2HB       LEU  32  -4.953  -3.906  -5.615
  331   2HB   LEU  32          1HB       LEU  32  -5.415  -5.521  -5.122
  332    HG   LEU  32           HG       LEU  32  -3.881  -4.243  -3.041
  333   1HD1  LEU  32          1HD1      LEU  32  -6.380  -2.811  -3.958
  334   2HD1  LEU  32          2HD1      LEU  32  -4.738  -2.172  -4.046
  335   3HD1  LEU  32          3HD1      LEU  32  -5.480  -2.482  -2.476
  336   1HD2  LEU  32          1HD2      LEU  32  -5.349  -6.160  -2.728
  337   2HD2  LEU  32          2HD2      LEU  32  -6.741  -5.190  -3.209
  338   3HD2  LEU  32          3HD2      LEU  32  -5.869  -4.804  -1.725
  339    H    GLY  33           HN       GLY  33  -2.712  -2.885  -6.157
  340   1HA   GLY  33          2HA       GLY  33  -1.303  -2.282  -3.666
  341   2HA   GLY  33          1HA       GLY  33  -0.385  -2.134  -5.173
  342    H    ILE  34           HN       ILE  34  -1.077  -0.052  -3.222
  343    HA   ILE  34           HA       ILE  34  -2.584   1.699  -5.042
  344    HB   ILE  34           HB       ILE  34  -3.328   3.050  -3.244
  345   1HG1  ILE  34          2HG1      ILE  34  -2.128   1.461  -1.059
  346   2HG1  ILE  34          1HG1      ILE  34  -1.013   2.496  -1.960
  347   1HG2  ILE  34          1HG2      ILE  34  -4.593   1.468  -1.881
  348   2HG2  ILE  34          2HG2      ILE  34  -3.570   0.158  -2.468
  349   3HG2  ILE  34          3HG2      ILE  34  -4.607   1.040  -3.590
  350   1HD1  ILE  34          1HD1      ILE  34  -1.885   3.629  -0.006
  351   2HD1  ILE  34          2HD1      ILE  34  -3.536   3.373  -0.569
  352   3HD1  ILE  34          3HD1      ILE  34  -2.447   4.419  -1.479
  353    H    ASP  35           HN       ASP  35  -1.446   3.275  -6.006
  354    HA   ASP  35           HA       ASP  35   1.107   4.025  -4.754
  355   1HB   ASP  35          2HB       ASP  35   1.990   4.522  -6.980
  356   2HB   ASP  35          1HB       ASP  35   1.445   2.853  -6.890
  357    H    ALA  36           HN       ALA  36   1.265   5.982  -4.061
  358    HA   ALA  36           HA       ALA  36  -0.231   8.163  -5.302
  359   1HB   ALA  36          1HB       ALA  36  -0.332   7.543  -2.349
  360   2HB   ALA  36          2HB       ALA  36  -1.665   7.382  -3.489
  361   3HB   ALA  36          3HB       ALA  36  -1.011   8.977  -3.120
  362    HA   PRO  37           HA       PRO  37   3.601  10.222  -4.576
  363   1HB   PRO  37          2HB       PRO  37   2.890  12.811  -4.636
  364   2HB   PRO  37          1HB       PRO  37   2.794  11.787  -6.072
  365   1HG   PRO  37          2HG       PRO  37   0.623  12.691  -4.241
  366   2HG   PRO  37          1HG       PRO  37   0.599  12.500  -6.001
  367   1HD   PRO  37          2HD       PRO  37  -0.426  10.682  -4.184
  368   2HD   PRO  37          1HD       PRO  37   0.031  10.299  -5.859
  369    H    LYS  38           HN       LYS  38   2.694   9.168  -2.269
  370    HA   LYS  38           HA       LYS  38   2.880   9.215  -0.026
  371   1HB   LYS  38          2HB       LYS  38   5.023  10.513  -0.721
  372   2HB   LYS  38          1HB       LYS  38   4.165  11.905  -0.078
  373   1HG   LYS  38          2HG       LYS  38   5.654  10.940   1.584
  374   2HG   LYS  38          1HG       LYS  38   3.969  10.796   2.088
  375   1HD   LYS  38          2HD       LYS  38   3.968   8.524   1.927
  376   2HD   LYS  38          1HD       LYS  38   5.090   8.519   0.562
  377   1HE   LYS  38          2HE       LYS  38   6.904   9.170   2.170
  378   2HE   LYS  38          1HE       LYS  38   5.750   8.913   3.477
  379   1HZ   LYS  38          1HZ       LYS  38   5.542   6.593   2.750
  380   2HZ   LYS  38          2HZ       LYS  38   7.140   6.978   3.169
  381   3HZ   LYS  38          3HZ       LYS  38   6.699   6.864   1.537
  382    H    HIS  39           HN       HIS  39   2.447  12.623  -0.736
  383    HA   HIS  39           HA       HIS  39   1.181  14.143   0.321
  384   1HB   HIS  39          2HB       HIS  39  -1.041  14.191  -0.512
  385   2HB   HIS  39          1HB       HIS  39  -0.067  13.380  -1.722
  386    HD1  HIS  39           1HD      HIS  39  -0.183  10.539  -1.108
  387    HD2  HIS  39           2HD      HIS  39  -3.439  12.983  -0.314
  388    HE1  HIS  39           1HE      HIS  39  -2.131   9.001  -0.887
  389    HE2  HIS  39           2HE      HIS  39  -4.117  10.490  -0.429
  390    H    ILE  40           HN       ILE  40  -1.597  13.610   1.304
  391    HA   ILE  40           HA       ILE  40  -0.852  12.621   3.967
  392    HB   ILE  40           HB       ILE  40  -2.834  13.898   4.781
  393   1HG1  ILE  40          2HG1      ILE  40  -3.792  13.935   2.331
  394   2HG1  ILE  40          1HG1      ILE  40  -4.120  15.277   3.428
  395   1HG2  ILE  40          1HG2      ILE  40  -0.639  14.838   5.034
  396   2HG2  ILE  40          2HG2      ILE  40  -1.770  16.124   4.606
  397   3HG2  ILE  40          3HG2      ILE  40  -0.675  15.469   3.388
  398   1HD1  ILE  40          1HD1      ILE  40  -1.982  15.241   1.305
  399   2HD1  ILE  40          2HD1      ILE  40  -2.389  16.596   2.358
  400   3HD1  ILE  40          3HD1      ILE  40  -3.557  16.023   1.166
  401    H    ASP  41           HN       ASP  41  -1.936  10.941   4.841
  402    HA   ASP  41           HA       ASP  41  -3.964   9.691   3.163
  403   1HB   ASP  41          2HB       ASP  41  -3.684   7.720   4.653
  404   2HB   ASP  41          1HB       ASP  41  -2.200   8.206   3.847
  405    H    ILE  42           HN       ILE  42  -5.936  10.265   3.473
  406    HA   ILE  42           HA       ILE  42  -6.794  11.528   5.922
  407    HB   ILE  42           HB       ILE  42  -8.445  10.901   3.477
  408   1HG1  ILE  42          2HG1      ILE  42  -6.369  12.125   2.877
  409   2HG1  ILE  42          1HG1      ILE  42  -7.826  13.072   2.589
  410   1HG2  ILE  42          1HG2      ILE  42  -9.736  11.568   5.433
  411   2HG2  ILE  42          2HG2      ILE  42  -9.785  12.823   4.193
  412   3HG2  ILE  42          3HG2      ILE  42  -8.745  13.017   5.605
  413   1HD1  ILE  42          1HD1      ILE  42  -7.429  14.324   4.637
  414   2HD1  ILE  42          2HD1      ILE  42  -6.037  14.416   3.558
  415   3HD1  ILE  42          3HD1      ILE  42  -5.996  13.350   4.961
  416    H    HIS  43           HN       HIS  43  -8.283  10.723   7.386
  417    HA   HIS  43           HA       HIS  43  -9.633   8.203   6.739
  418   1HB   HIS  43          2HB       HIS  43  -8.587   8.531   9.525
  419   2HB   HIS  43          1HB       HIS  43  -9.037   7.060   8.664
  420    HD1  HIS  43           1HD      HIS  43  -6.190   8.733   9.900
  421    HD2  HIS  43           2HD      HIS  43  -7.026   6.659   6.390
  422    HE1  HIS  43           1HE      HIS  43  -3.964   8.062   8.966
  423    HE2  HIS  43           2HE      HIS  43  -4.476   7.016   6.752
  424    H    ARG  44           HN       ARG  44 -11.395   7.756   8.364
  425    HA   ARG  44           HA       ARG  44 -12.696  10.313   9.049
  426   1HB   ARG  44          2HB       ARG  44 -13.895   8.788   7.498
  427   2HB   ARG  44          1HB       ARG  44 -13.907   7.556   8.752
  428   1HG   ARG  44          2HG       ARG  44 -15.197   9.157  10.183
  429   2HG   ARG  44          1HG       ARG  44 -15.329  10.203   8.768
  430   1HD   ARG  44          2HD       ARG  44 -16.310   7.359   8.964
  431   2HD   ARG  44          1HD       ARG  44 -17.314   8.807   9.043
  432    HE   ARG  44           HE       ARG  44 -16.495   9.248   6.702
  433   1HH1  ARG  44          1HH1      ARG  44 -16.611   6.002   8.002
  434   2HH1  ARG  44          2HH1      ARG  44 -16.894   5.252   6.464
  435   1HH2  ARG  44          1HH2      ARG  44 -16.876   8.267   4.657
  436   2HH2  ARG  44          2HH2      ARG  44 -17.032   6.529   4.568
  437    H    LYS  45           HN       LYS  45 -13.277   7.094  10.339
  438    HA   LYS  45           HA       LYS  45 -11.971   7.791  12.864
  439   1HB   LYS  45          2HB       LYS  45 -14.264   8.140  13.455
  440   2HB   LYS  45          1HB       LYS  45 -14.786   6.725  12.544
  441   1HG   LYS  45          2HG       LYS  45 -13.544   5.299  14.152
  442   2HG   LYS  45          1HG       LYS  45 -13.185   6.744  15.096
  443   1HD   LYS  45          2HD       LYS  45 -15.441   7.070  15.658
  444   2HD   LYS  45          1HD       LYS  45 -16.000   5.957  14.407
  445   1HE   LYS  45          2HE       LYS  45 -16.155   4.966  16.646
  446   2HE   LYS  45          1HE       LYS  45 -15.044   4.081  15.606
  447   1HZ   LYS  45          1HZ       LYS  45 -14.243   6.063  17.672
  448   2HZ   LYS  45          2HZ       LYS  45 -13.188   5.150  16.701
  449   3HZ   LYS  45          3HZ       LYS  45 -14.171   4.380  17.847
  450    H    GLU  46           HN       GLU  46 -10.567   6.212  13.382
  451    HA   GLU  46           HA       GLU  46  -9.405   4.250  13.280
  452   1HB   GLU  46          2HB       GLU  46 -11.561   3.321  14.126
  453   2HB   GLU  46          1HB       GLU  46 -12.066   3.050  12.468
  454   1HG   GLU  46          2HG       GLU  46 -10.301   1.441  12.155
  455   2HG   GLU  46          1HG       GLU  46  -9.673   1.775  13.770
  456    H    ILE  47           HN       ILE  47  -7.947   4.049  11.691
  457    HA   ILE  47           HA       ILE  47  -8.305   5.352   9.311
  458    HB   ILE  47           HB       ILE  47  -6.230   4.474   8.517
  459   1HG1  ILE  47          2HG1      ILE  47  -6.271   2.510  10.822
  460   2HG1  ILE  47          1HG1      ILE  47  -6.668   2.081   9.162
  461   1HG2  ILE  47          1HG2      ILE  47  -6.183   4.908  11.502
  462   2HG2  ILE  47          2HG2      ILE  47  -6.130   6.158  10.259
  463   3HG2  ILE  47          3HG2      ILE  47  -4.787   5.029  10.431
  464   1HD1  ILE  47          1HD1      ILE  47  -4.441   2.596   8.438
  465   2HD1  ILE  47          2HD1      ILE  47  -4.363   1.494   9.815
  466   3HD1  ILE  47          3HD1      ILE  47  -4.022   3.209  10.039
  467    H    TYR  48           HN       TYR  48  -9.112   4.969   7.409
  468    HA   TYR  48           HA       TYR  48 -10.267   2.371   6.894
  469   1HB   TYR  48          2HB       TYR  48 -11.592   3.458   5.202
  470   2HB   TYR  48          1HB       TYR  48 -11.614   4.412   6.675
  471    HD1  TYR  48           1HD      TYR  48  -9.147   4.335   3.898
  472    HD2  TYR  48           2HD      TYR  48 -12.033   6.618   6.022
  473    HE1  TYR  48           1HE      TYR  48  -8.462   6.341   2.662
  474    HE2  TYR  48           2HE      TYR  48 -11.359   8.625   4.791
  475    HH   TYR  48           HH       TYR  48  -9.494   8.558   2.031
  476    H    LEU  49           HN       LEU  49  -7.365   3.716   6.307
  477    HA   LEU  49           HA       LEU  49  -7.120   2.787   3.533
  478   1HB   LEU  49          2HB       LEU  49  -6.026   5.035   5.052
  479   2HB   LEU  49          1HB       LEU  49  -4.799   4.149   4.167
  480    HG   LEU  49           HG       LEU  49  -7.303   5.200   2.860
  481   1HD1  LEU  49          1HD1      LEU  49  -5.936   7.055   2.052
  482   2HD1  LEU  49          2HD1      LEU  49  -4.582   6.486   3.030
  483   3HD1  LEU  49          3HD1      LEU  49  -6.051   7.071   3.811
  484   1HD2  LEU  49          1HD2      LEU  49  -5.983   4.912   0.825
  485   2HD2  LEU  49          2HD2      LEU  49  -6.157   3.390   1.698
  486   3HD2  LEU  49          3HD2      LEU  49  -4.641   4.286   1.782
  487    H    THR  50           HN       THR  50  -4.787   3.187   6.150
  488    HA   THR  50           HA       THR  50  -3.391   1.730   7.178
  489    HB   THR  50           HB       THR  50  -5.039  -0.353   5.766
  490    HG1  THR  50           1HG      THR  50  -6.163  -0.481   7.626
  491   1HG2  THR  50          1HG2      THR  50  -2.819  -1.256   6.287
  492   2HG2  THR  50          2HG2      THR  50  -4.052  -1.983   7.317
  493   3HG2  THR  50          3HG2      THR  50  -2.994  -0.729   7.960
  494    H    ILE  51           HN       ILE  51  -3.976   1.333   3.776
  495    HA   ILE  51           HA       ILE  51  -1.686  -0.109   3.059
  496    HB   ILE  51           HB       ILE  51  -2.719   1.954   1.146
  497   1HG1  ILE  51          2HG1      ILE  51  -4.233  -0.599   1.687
  498   2HG1  ILE  51          1HG1      ILE  51  -4.673   0.910   2.448
  499   1HG2  ILE  51          1HG2      ILE  51  -2.415   0.131  -0.411
  500   2HG2  ILE  51          2HG2      ILE  51  -1.999  -0.951   0.917
  501   3HG2  ILE  51          3HG2      ILE  51  -0.952   0.416   0.531
  502   1HD1  ILE  51          1HD1      ILE  51  -6.045   0.468   0.507
  503   2HD1  ILE  51          2HD1      ILE  51  -4.600   0.417  -0.503
  504   3HD1  ILE  51          3HD1      ILE  51  -5.073   1.922   0.286
  505    H    GLN  52           HN       GLN  52  -2.199   3.355   2.404
  506    HA   GLN  52           HA       GLN  52   0.652   3.721   2.257
  507   1HB   GLN  52          2HB       GLN  52   0.108   6.083   1.788
  508   2HB   GLN  52          1HB       GLN  52  -0.668   4.949   0.684
  509   1HG   GLN  52          2HG       GLN  52  -2.754   5.181   2.015
  510   2HG   GLN  52          1HG       GLN  52  -1.947   6.417   2.982
  511   1HE2  GLN  52          1HE2      GLN  52  -3.384   8.032   2.339
  512   2HE2  GLN  52          2HE2      GLN  52  -3.437   8.657   0.731
  513    H    GLU  53           HN       GLU  53  -1.636   3.790   4.723
  514    HA   GLU  53           HA       GLU  53  -0.436   5.743   6.427
  515   1HB   GLU  53          2HB       GLU  53  -2.751   4.446   6.550
  516   2HB   GLU  53          1HB       GLU  53  -1.814   3.291   7.479
  517   1HG   GLU  53          2HG       GLU  53  -2.066   6.210   8.164
  518   2HG   GLU  53          1HG       GLU  53  -3.084   4.942   8.834
  519    H    GLU  54           HN       GLU  54  -0.199   2.266   6.000
  520    HA   GLU  54           HA       GLU  54   1.991   1.788   7.690
  521   1HB   GLU  54          2HB       GLU  54   0.679   0.395   5.398
  522   2HB   GLU  54          1HB       GLU  54   2.282  -0.157   5.892
  523   1HG   GLU  54          2HG       GLU  54  -0.149   0.038   7.667
  524   2HG   GLU  54          1HG       GLU  54   0.493  -1.440   6.952
  525    H    ASN  55           HN       ASN  55   1.791   2.543   4.221
  526    HA   ASN  55           HA       ASN  55   4.701   2.652   4.054
  527   1HB   ASN  55          2HB       ASN  55   3.154   1.607   2.298
  528   2HB   ASN  55          1HB       ASN  55   2.772   3.254   1.822
  529   1HD2  ASN  55          1HD2      ASN  55   3.994   1.268   0.210
  530   2HD2  ASN  55          2HD2      ASN  55   5.575   1.821  -0.213
  531    H    ASN  56           HN       ASN  56   3.221   4.591   5.608
  532    HA   ASN  56           HA       ASN  56   4.066   7.039   4.286
  533   1HB   ASN  56          2HB       ASN  56   1.788   6.839   5.362
  534   2HB   ASN  56          1HB       ASN  56   2.601   6.697   6.914
  535   1HD2  ASN  56          1HD2      ASN  56   0.706   8.684   6.168
  536   2HD2  ASN  56          2HD2      ASN  56   1.502  10.218   6.230
  537    H    ARG  57           HN       ARG  57   5.624   4.763   5.346
  538    HA   ARG  57           HA       ARG  57   7.655   6.103   6.803
  539   1HB   ARG  57          2HB       ARG  57   7.317   4.369   8.778
  540   2HB   ARG  57          1HB       ARG  57   6.494   5.925   8.777
  541   1HG   ARG  57          2HG       ARG  57   4.564   4.731   7.632
  542   2HG   ARG  57          1HG       ARG  57   5.377   3.229   8.084
  543   1HD   ARG  57          2HD       ARG  57   3.679   3.847   9.724
  544   2HD   ARG  57          1HD       ARG  57   5.293   3.875  10.432
  545    HE   ARG  57           HE       ARG  57   5.237   6.301  10.287
  546   1HH1  ARG  57          1HH1      ARG  57   2.199   4.625   9.857
  547   2HH1  ARG  57          2HH1      ARG  57   1.222   6.004  10.263
  548   1HH2  ARG  57          1HH2      ARG  57   3.970   8.120  10.854
  549   2HH2  ARG  57          2HH2      ARG  57   2.235   7.991  10.867
  550    H    ALA  58           HN       ALA  58   6.542   2.714   7.060
  551    HA   ALA  58           HA       ALA  58   8.397   1.737   5.121
  552   1HB   ALA  58          1HB       ALA  58   9.921   0.565   6.609
  553   2HB   ALA  58          2HB       ALA  58   9.107   1.254   8.014
  554   3HB   ALA  58          3HB       ALA  58   9.987   2.303   6.902
  555    H    ALA  59           HN       ALA  59   6.001   1.099   4.857
  556    HA   ALA  59           HA       ALA  59   4.955  -1.046   6.384
  557   1HB   ALA  59          1HB       ALA  59   3.380  -1.334   4.562
  558   2HB   ALA  59          2HB       ALA  59   4.359  -0.284   3.536
  559   3HB   ALA  59          3HB       ALA  59   3.568   0.371   4.971
  560    H    ALA  60           HN       ALA  60   4.546  -3.208   5.671
  561    HA   ALA  60           HA       ALA  60   6.786  -4.568   4.537
  562   1HB   ALA  60          1HB       ALA  60   5.361  -5.570   6.268
  563   2HB   ALA  60          2HB       ALA  60   5.436  -6.575   4.821
  564   3HB   ALA  60          3HB       ALA  60   4.009  -5.587   5.137
  565    H    LEU  61           HN       LEU  61   6.630  -6.014   2.656
  566    HA   LEU  61           HA       LEU  61   5.084  -4.734   0.515
  567   1HB   LEU  61          2HB       LEU  61   7.610  -6.370   0.360
  568   2HB   LEU  61          1HB       LEU  61   6.781  -5.668  -1.016
  569    HG   LEU  61           HG       LEU  61   8.066  -4.110   1.233
  570   1HD1  LEU  61          1HD1      LEU  61   9.695  -3.445  -0.478
  571   2HD1  LEU  61          2HD1      LEU  61   8.931  -4.551  -1.621
  572   3HD1  LEU  61          3HD1      LEU  61   9.719  -5.183  -0.176
  573   1HD2  LEU  61          1HD2      LEU  61   6.752  -3.179  -1.320
  574   2HD2  LEU  61          2HD2      LEU  61   7.629  -2.153  -0.188
  575   3HD2  LEU  61          3HD2      LEU  61   6.137  -2.947   0.316
  576    H    SER  62           HN       SER  62   4.300  -6.900   2.380
  577    HA   SER  62           HA       SER  62   2.697  -8.542   0.884
  578   1HB   SER  62          2HB       SER  62   4.966  -9.363  -0.034
  579   2HB   SER  62          1HB       SER  62   5.250 -10.031   1.574
  580    HG   SER  62           HG       SER  62   3.678 -10.952  -0.458
  581    H    SER  63           HN       SER  63   2.972 -10.939   2.449
  582    HA   SER  63           HA       SER  63   2.422  -9.938   5.099
  583   1HB   SER  63          2HB       SER  63   1.105 -11.832   4.114
  584   2HB   SER  63          1HB       SER  63   2.568 -12.813   4.133
  585    HG   SER  63           HG       SER  63   1.607 -13.336   5.996
  586    H    ASP  64           HN       ASP  64   5.068 -10.175   3.472
  587    HA   ASP  64           HA       ASP  64   6.712 -10.748   5.831
  588   1HB   ASP  64          2HB       ASP  64   6.846 -12.715   4.299
  589   2HB   ASP  64          1HB       ASP  64   7.388 -11.644   3.011
  590    H    VAL  65           HN       VAL  65   7.828  -8.964   6.267
  591    HA   VAL  65           HA       VAL  65   7.770  -6.767   4.477
  592    HB   VAL  65           HB       VAL  65   9.638  -7.049   6.845
  593   1HG1  VAL  65          1HG1      VAL  65  10.111  -5.143   5.444
  594   2HG1  VAL  65          2HG1      VAL  65   9.399  -4.597   6.962
  595   3HG1  VAL  65          3HG1      VAL  65   8.421  -4.641   5.496
  596   1HG2  VAL  65          1HG2      VAL  65   7.899  -6.038   8.233
  597   2HG2  VAL  65          2HG2      VAL  65   7.396  -7.603   7.596
  598   3HG2  VAL  65          3HG2      VAL  65   6.768  -6.118   6.878
  599    H    ILE  66           HN       ILE  66  10.684  -7.999   5.987
  600    HA   ILE  66           HA       ILE  66  11.915  -8.775   3.459
  601    HB   ILE  66           HB       ILE  66  13.459  -7.146   5.465
  602   1HG1  ILE  66          2HG1      ILE  66  12.169  -6.039   2.958
  603   2HG1  ILE  66          1HG1      ILE  66  11.627  -5.710   4.600
  604   1HG2  ILE  66          1HG2      ILE  66  13.942  -7.815   2.562
  605   2HG2  ILE  66          2HG2      ILE  66  14.782  -8.497   3.956
  606   3HG2  ILE  66          3HG2      ILE  66  14.991  -6.794   3.546
  607   1HD1  ILE  66          1HD1      ILE  66  14.293  -4.946   3.432
  608   2HD1  ILE  66          2HD1      ILE  66  13.756  -4.612   5.079
  609   3HD1  ILE  66          3HD1      ILE  66  12.927  -3.867   3.711
  610    H    SER  67           HN       SER  67  10.687 -10.080   5.585
  611    HA   SER  67           HA       SER  67  10.842 -11.609   7.242
  612   1HB   SER  67          2HB       SER  67  12.842 -12.550   6.098
  613   2HB   SER  67          1HB       SER  67  13.852 -11.385   6.952
  614    HG   SER  67           HG       SER  67  13.314 -13.733   7.805
  615    H    ALA  68           HN       ALA  68  12.128 -11.705   9.568
  616    HA   ALA  68           HA       ALA  68  11.537  -9.083  10.668
  617   1HB   ALA  68          1HB       ALA  68  12.310 -11.631  12.088
  618   2HB   ALA  68          2HB       ALA  68  10.661 -11.096  11.769
  619   3HB   ALA  68          3HB       ALA  68  11.699 -10.158  12.840
  620    H    LEU  69           HN       LEU  69  13.032  -7.606  10.913
  621    HA   LEU  69           HA       LEU  69  15.585  -8.056  12.009
  622   1HB   LEU  69          2HB       LEU  69  16.784  -7.170   9.841
  623   2HB   LEU  69          1HB       LEU  69  16.521  -8.879  10.105
  624    HG   LEU  69           HG       LEU  69  14.460  -8.680   8.643
  625   1HD1  LEU  69          1HD1      LEU  69  14.349  -6.786   7.112
  626   2HD1  LEU  69          2HD1      LEU  69  15.689  -6.014   7.961
  627   3HD1  LEU  69          3HD1      LEU  69  14.150  -6.264   8.784
  628   1HD2  LEU  69          1HD2      LEU  69  17.141  -8.045   7.424
  629   2HD2  LEU  69          2HD2      LEU  69  15.750  -8.714   6.567
  630   3HD2  LEU  69          3HD2      LEU  69  16.535  -9.649   7.840
  631    H    SER  70           HN       SER  70  13.183  -6.063  10.660
  632    HA   SER  70           HA       SER  70  12.617  -3.902  11.011
  633   1HB   SER  70          2HB       SER  70  14.758  -4.032  13.130
  634   2HB   SER  70          1HB       SER  70  13.535  -2.767  12.984
  635    HG   SER  70           HG       SER  70  12.517  -4.093  14.304
  636    H    SER  71           HN       SER  71  14.955  -4.696   9.245
  637    HA   SER  71           HA       SER  71  16.422  -3.724   7.817
  638   1HB   SER  71          2HB       SER  71  15.157  -1.113   8.696
  639   2HB   SER  71          1HB       SER  71  16.082  -1.388   7.220
  640    HG   SER  71           HG       SER  71  13.486  -1.668   7.563
  641    H    GLN  72           HN       GLN  72  16.849  -3.894  10.838
  642    HA   GLN  72           HA       GLN  72  18.717  -1.718  11.315
  643   1HB   GLN  72          2HB       GLN  72  17.747  -3.891  13.174
  644   2HB   GLN  72          1HB       GLN  72  18.698  -2.484  13.632
  645   1HG   GLN  72          2HG       GLN  72  16.792  -1.068  12.798
  646   2HG   GLN  72          1HG       GLN  72  15.841  -2.559  12.667
  647   1HE2  GLN  72          1HE2      GLN  72  17.444  -0.344  14.827
  648   2HE2  GLN  72          2HE2      GLN  72  16.661  -0.878  16.275
  649    H    LYS  73           HN       LYS  73  20.679  -2.056  10.523
  650    HA   LYS  73           HA       LYS  73  21.909  -4.672  10.836
  651   1HB   LYS  73          2HB       LYS  73  23.697  -3.805   9.386
  652   2HB   LYS  73          1HB       LYS  73  22.110  -3.689   8.647
  653   1HG   LYS  73          2HG       LYS  73  23.353  -1.342  10.026
  654   2HG   LYS  73          1HG       LYS  73  23.704  -1.731   8.341
  655   1HD   LYS  73          2HD       LYS  73  20.948  -1.284   9.470
  656   2HD   LYS  73          1HD       LYS  73  21.889  -0.066   8.603
  657   1HE   LYS  73          2HE       LYS  73  21.919  -1.523   6.627
  658   2HE   LYS  73          1HE       LYS  73  20.971  -2.724   7.505
  659   1HZ   LYS  73          1HZ       LYS  73  19.165  -1.148   7.669
  660   2HZ   LYS  73          2HZ       LYS  73  19.600  -1.356   6.044
  661   3HZ   LYS  73          3HZ       LYS  73  20.078   0.039   6.877
  662    H    LYS  74           HN       LYS  74  22.785  -5.010  12.737
  663    HA   LYS  74           HA       LYS  74  24.105  -2.751  14.083
  664   1HB   LYS  74          2HB       LYS  74  22.855  -5.209  15.337
  665   2HB   LYS  74          1HB       LYS  74  23.607  -3.875  16.205
  666   1HG   LYS  74          2HG       LYS  74  21.893  -2.354  15.376
  667   2HG   LYS  74          1HG       LYS  74  21.150  -3.678  14.475
  668   1HD   LYS  74          2HD       LYS  74  19.924  -3.340  16.514
  669   2HD   LYS  74          1HD       LYS  74  20.793  -4.872  16.617
  670   1HE   LYS  74          2HE       LYS  74  22.542  -3.786  17.943
  671   2HE   LYS  74          1HE       LYS  74  21.671  -2.255  17.837
  672   1HZ   LYS  74          1HZ       LYS  74  20.661  -4.741  19.113
  673   2HZ   LYS  74          2HZ       LYS  74  19.823  -3.267  19.020
  674   3HZ   LYS  74          3HZ       LYS  74  21.249  -3.376  19.933
  Start of MODEL    5
    1    H    HIS  -9           H        HIS  -9   2.097  26.020  -9.611
    2    HA   HIS  -9           HA       HIS  -9   0.580  24.179  -9.679
    3   1HB   HIS  -9          2HB       HIS  -9   0.293  25.916 -11.358
    4   2HB   HIS  -9          1HB       HIS  -9   1.471  25.137 -12.407
    5    HD1  HIS  -9           1HD      HIS  -9   0.532  23.631 -14.135
    6    HD2  HIS  -9           2HD      HIS  -9  -2.097  24.180 -10.954
    7    HE1  HIS  -9           1HE      HIS  -9  -1.580  22.422 -14.776
    8    HE2  HIS  -9           2HE      HIS  -9  -3.086  22.615 -12.768
    9    H    SER  -8           HN       SER  -8   3.581  23.571 -11.436
   10    HA   SER  -8           HA       SER  -8   2.737  20.921 -12.206
   11   1HB   SER  -8          2HB       SER  -8   5.448  22.255 -12.412
   12   2HB   SER  -8          1HB       SER  -8   4.978  20.747 -13.197
   13    HG   SER  -8           HG       SER  -8   4.452  22.070 -14.764
   14    H    SER  -7           HN       SER  -7   2.382  20.877  -9.607
   15    HA   SER  -7           HA       SER  -7   4.727  20.108  -8.119
   16   1HB   SER  -7          2HB       SER  -7   1.794  19.901  -7.378
   17   2HB   SER  -7          1HB       SER  -7   3.157  19.748  -6.270
   18    HG   SER  -7           HG       SER  -7   3.726  21.935  -6.921
   19    H    GLY  -6           HN       GLY  -6   3.353  18.523 -10.498
   20   1HA   GLY  -6          2HA       GLY  -6   2.987  15.918  -9.318
   21   2HA   GLY  -6          1HA       GLY  -6   3.022  16.294 -11.037
   22    H    HIS  -5           HN       HIS  -5   5.614  17.533  -9.243
   23    HA   HIS  -5           HA       HIS  -5   7.566  15.932 -10.550
   24   1HB   HIS  -5          2HB       HIS  -5   8.113  18.197  -9.956
   25   2HB   HIS  -5          1HB       HIS  -5   7.701  17.925  -8.271
   26    HD1  HIS  -5           1HD      HIS  -5  10.437  17.509 -10.766
   27    HD2  HIS  -5           2HD      HIS  -5   9.689  16.585  -6.783
   28    HE1  HIS  -5           1HE      HIS  -5  12.667  16.880  -9.783
   29    HE2  HIS  -5           2HE      HIS  -5  12.159  16.139  -7.427
   30    H    ILE  -4           HN       ILE  -4   7.899  13.857 -10.048
   31    HA   ILE  -4           HA       ILE  -4   7.064  12.838  -7.499
   32    HB   ILE  -4           HB       ILE  -4   6.718  11.497  -9.503
   33   1HG1  ILE  -4          2HG1      ILE  -4   7.581   9.358  -8.640
   34   2HG1  ILE  -4          1HG1      ILE  -4   8.653  10.239  -7.555
   35   1HG2  ILE  -4          1HG2      ILE  -4   9.717  11.297  -9.663
   36   2HG2  ILE  -4          2HG2      ILE  -4   8.659  12.122 -10.806
   37   3HG2  ILE  -4          3HG2      ILE  -4   8.573  10.368 -10.632
   38   1HD1  ILE  -4          1HD1      ILE  -4   6.690   9.461  -6.383
   39   2HD1  ILE  -4          2HD1      ILE  -4   5.647  10.310  -7.523
   40   3HD1  ILE  -4          3HD1      ILE  -4   6.709  11.223  -6.449
   41    H    GLU  -3           HN       GLU  -3   8.247  13.355  -5.795
   42    HA   GLU  -3           HA       GLU  -3  11.159  13.042  -5.953
   43   1HB   GLU  -3          2HB       GLU  -3  11.226  14.540  -4.001
   44   2HB   GLU  -3          1HB       GLU  -3  10.451  15.274  -5.396
   45   1HG   GLU  -3          2HG       GLU  -3   8.272  14.904  -4.445
   46   2HG   GLU  -3          1HG       GLU  -3   8.984  14.040  -3.083
   47    H    GLY  -2           HN       GLY  -2   8.790  11.170  -5.251
   48   1HA   GLY  -2          2HA       GLY  -2   9.822   9.175  -3.900
   49   2HA   GLY  -2          1HA       GLY  -2   9.622  10.314  -2.573
   50    H    ARG  -1           HN       ARG  -1   8.075   8.078  -4.677
   51    HA   ARG  -1           HA       ARG  -1   5.457   8.713  -3.475
   52   1HB   ARG  -1          2HB       ARG  -1   4.404   7.626  -5.281
   53   2HB   ARG  -1          1HB       ARG  -1   5.705   8.549  -6.022
   54   1HG   ARG  -1          2HG       ARG  -1   7.057   6.578  -6.239
   55   2HG   ARG  -1          1HG       ARG  -1   5.881   5.626  -5.326
   56   1HD   ARG  -1          2HD       ARG  -1   4.212   6.065  -7.095
   57   2HD   ARG  -1          1HD       ARG  -1   5.453   6.912  -8.022
   58    HE   ARG  -1           HE       ARG  -1   6.447   4.382  -7.411
   59   1HH1  ARG  -1          1HH1      ARG  -1   3.803   5.758  -9.248
   60   2HH1  ARG  -1          2HH1      ARG  -1   3.781   4.479 -10.425
   61   1HH2  ARG  -1          1HH2      ARG  -1   6.419   2.686  -8.944
   62   2HH2  ARG  -1          2HH2      ARG  -1   5.262   2.735 -10.251
   63    H    HIS   0           HN       HIS   0   4.094   6.803  -2.959
   64    HA   HIS   0           HA       HIS   0   5.648   4.377  -2.508
   65   1HB   HIS   0          2HB       HIS   0   4.344   3.953  -0.400
   66   2HB   HIS   0          1HB       HIS   0   5.523   5.254  -0.301
   67    HD1  HIS   0           1HD      HIS   0   4.659   7.180   0.947
   68    HD2  HIS   0           2HD      HIS   0   1.631   5.175  -1.052
   69    HE1  HIS   0           1HE      HIS   0   2.552   8.450   1.460
   70    HE2  HIS   0           2HE      HIS   0   0.713   7.078   0.425
   71    H    MET   1           HN       MET   1   4.826   2.947  -3.840
   72    HA   MET   1           HA       MET   1   1.899   2.698  -3.942
   73   1HB   MET   1          2HB       MET   1   2.933   2.783  -6.151
   74   2HB   MET   1          1HB       MET   1   4.018   1.475  -5.727
   75   1HG   MET   1          2HG       MET   1   2.036  -0.001  -5.447
   76   2HG   MET   1          1HG       MET   1   1.036   1.313  -6.056
   77   1HE   MET   1          1HE       MET   1   2.951   2.578  -8.297
   78   2HE   MET   1          2HE       MET   1   1.223   2.292  -8.521
   79   3HE   MET   1          3HE       MET   1   2.378   1.711  -9.723
   80    H    LEU   2           HN       LEU   2   1.311   1.545  -2.190
   81    HA   LEU   2           HA       LEU   2   3.071  -0.656  -1.393
   82   1HB   LEU   2          2HB       LEU   2   2.424   1.120   0.322
   83   2HB   LEU   2          1HB       LEU   2   0.792   0.484   0.223
   84    HG   LEU   2           HG       LEU   2   2.398  -0.314   2.128
   85   1HD1  LEU   2          1HD1      LEU   2   0.156  -1.188   1.791
   86   2HD1  LEU   2          2HD1      LEU   2   1.281  -2.480   2.208
   87   3HD1  LEU   2          3HD1      LEU   2   0.755  -2.274   0.538
   88   1HD2  LEU   2          1HD2      LEU   2   4.246  -0.961   0.674
   89   2HD2  LEU   2          2HD2      LEU   2   3.212  -2.142  -0.130
   90   3HD2  LEU   2          3HD2      LEU   2   3.627  -2.347   1.571
   91    H    VAL   3           HN       VAL   3   2.557  -2.570  -1.941
   92    HA   VAL   3           HA       VAL   3   0.009  -3.166  -3.052
   93    HB   VAL   3           HB       VAL   3   1.126  -5.499  -3.203
   94   1HG1  VAL   3          1HG1      VAL   3   0.744  -4.058  -5.122
   95   2HG1  VAL   3          2HG1      VAL   3   2.339  -4.803  -5.231
   96   3HG1  VAL   3          3HG1      VAL   3   2.186  -3.122  -4.724
   97   1HG2  VAL   3          1HG2      VAL   3   3.576  -5.416  -3.218
   98   2HG2  VAL   3          2HG2      VAL   3   2.918  -5.077  -1.618
   99   3HG2  VAL   3          3HG2      VAL   3   3.510  -3.758  -2.626
  100    H    LEU   4           HN       LEU   4  -1.613  -4.140  -2.128
  101    HA   LEU   4           HA       LEU   4  -1.302  -5.193   0.592
  102   1HB   LEU   4          2HB       LEU   4  -2.966  -3.274  -0.142
  103   2HB   LEU   4          1HB       LEU   4  -3.953  -4.635  -0.614
  104    HG   LEU   4           HG       LEU   4  -4.286  -3.586   1.732
  105   1HD1  LEU   4          1HD1      LEU   4  -4.887  -5.776   2.666
  106   2HD1  LEU   4          2HD1      LEU   4  -3.958  -6.574   1.395
  107   3HD1  LEU   4          3HD1      LEU   4  -5.392  -5.632   0.982
  108   1HD2  LEU   4          1HD2      LEU   4  -2.910  -4.432   3.492
  109   2HD2  LEU   4          2HD2      LEU   4  -1.863  -3.652   2.307
  110   3HD2  LEU   4          3HD2      LEU   4  -1.974  -5.413   2.367
  111    H    SER   5           HN       SER   5  -1.914  -7.367   0.914
  112    HA   SER   5           HA       SER   5  -2.003  -8.802  -1.594
  113   1HB   SER   5          2HB       SER   5  -1.717  -9.882   1.219
  114   2HB   SER   5          1HB       SER   5  -1.437 -10.776  -0.275
  115    HG   SER   5           HG       SER   5   0.291  -9.319   1.092
  116    H    ARG   6           HN       ARG   6  -3.916  -9.157  -2.467
  117    HA   ARG   6           HA       ARG   6  -6.077 -10.185  -0.807
  118   1HB   ARG   6          2HB       ARG   6  -6.430  -7.760  -0.742
  119   2HB   ARG   6          1HB       ARG   6  -6.308  -7.671  -2.488
  120   1HG   ARG   6          2HG       ARG   6  -8.606  -7.506  -1.871
  121   2HG   ARG   6          1HG       ARG   6  -8.350  -9.062  -2.660
  122   1HD   ARG   6          2HD       ARG   6  -9.765  -9.411  -0.760
  123   2HD   ARG   6          1HD       ARG   6  -8.186 -10.109  -0.404
  124    HE   ARG   6           HE       ARG   6  -7.775  -8.313   1.098
  125   1HH1  ARG   6          1HH1      ARG   6 -10.997  -8.260  -0.263
  126   2HH1  ARG   6          2HH1      ARG   6 -11.669  -7.320   1.030
  127   1HH2  ARG   6          1HH2      ARG   6  -8.661  -7.095   2.827
  128   2HH2  ARG   6          2HH2      ARG   6 -10.351  -6.675   2.793
  129    H    LYS   7           HN       LYS   7  -6.818 -11.897  -1.829
  130    HA   LYS   7           HA       LYS   7  -5.909 -12.289  -4.573
  131   1HB   LYS   7          2HB       LYS   7  -6.703 -14.123  -2.340
  132   2HB   LYS   7          1HB       LYS   7  -6.700 -14.716  -3.995
  133   1HG   LYS   7          2HG       LYS   7  -4.564 -15.217  -3.629
  134   2HG   LYS   7          1HG       LYS   7  -4.252 -13.501  -3.810
  135   1HD   LYS   7          2HD       LYS   7  -4.927 -14.731  -1.156
  136   2HD   LYS   7          1HD       LYS   7  -3.276 -14.688  -1.771
  137   1HE   LYS   7          2HE       LYS   7  -3.397 -12.241  -1.926
  138   2HE   LYS   7          1HE       LYS   7  -5.056 -12.305  -1.329
  139   1HZ   LYS   7          1HZ       LYS   7  -2.658 -13.218   0.175
  140   2HZ   LYS   7          2HZ       LYS   7  -4.257 -13.257   0.745
  141   3HZ   LYS   7          3HZ       LYS   7  -3.501 -11.776   0.449
  142    H    ILE   8           HN       ILE   8  -7.969 -10.564  -4.405
  143    HA   ILE   8           HA       ILE   8 -10.261 -12.096  -5.458
  144    HB   ILE   8           HB       ILE   8 -10.429  -9.385  -4.134
  145   1HG1  ILE   8          2HG1      ILE   8  -9.623 -11.149  -2.548
  146   2HG1  ILE   8          1HG1      ILE   8 -11.189 -10.460  -2.112
  147   1HG2  ILE   8          1HG2      ILE   8 -12.824  -9.896  -3.993
  148   2HG2  ILE   8          2HG2      ILE   8 -12.543 -11.421  -4.833
  149   3HG2  ILE   8          3HG2      ILE   8 -12.249  -9.892  -5.661
  150   1HD1  ILE   8          1HD1      ILE   8 -12.297 -12.429  -3.061
  151   2HD1  ILE   8          2HD1      ILE   8 -11.171 -12.854  -1.773
  152   3HD1  ILE   8          3HD1      ILE   8 -10.721 -13.111  -3.459
  153    H    ASN   9           HN       ASN   9  -7.957  -9.599  -5.877
  154    HA   ASN   9           HA       ASN   9  -7.438  -8.119  -7.511
  155   1HB   ASN   9          2HB       ASN   9  -9.388  -9.650  -9.236
  156   2HB   ASN   9          1HB       ASN   9  -8.169  -8.522  -9.797
  157   1HD2  ASN   9          1HD2      ASN   9  -8.766 -11.726  -8.634
  158   2HD2  ASN   9          2HD2      ASN   9  -7.183 -12.351  -8.951
  159    H    GLU  10           HN       GLU  10  -9.913  -7.936  -5.773
  160    HA   GLU  10           HA       GLU  10 -11.794  -6.322  -7.145
  161   1HB   GLU  10          2HB       GLU  10 -12.538  -5.690  -4.849
  162   2HB   GLU  10          1HB       GLU  10 -12.426  -7.429  -5.090
  163   1HG   GLU  10          2HG       GLU  10 -10.276  -7.457  -3.932
  164   2HG   GLU  10          1HG       GLU  10 -10.373  -5.715  -3.704
  165    H    ALA  11           HN       ALA  11 -12.178  -4.001  -6.139
  166    HA   ALA  11           HA       ALA  11  -9.612  -2.583  -6.421
  167   1HB   ALA  11          1HB       ALA  11 -10.933  -0.664  -7.193
  168   2HB   ALA  11          2HB       ALA  11 -12.416  -1.599  -6.985
  169   3HB   ALA  11          3HB       ALA  11 -11.229  -2.087  -8.194
  170    H    ILE  12           HN       ILE  12  -9.189  -0.843  -5.000
  171    HA   ILE  12           HA       ILE  12 -10.721  -1.056  -2.506
  172    HB   ILE  12           HB       ILE  12  -7.950   0.101  -2.842
  173   1HG1  ILE  12          2HG1      ILE  12  -7.949  -2.288  -3.430
  174   2HG1  ILE  12          1HG1      ILE  12  -7.097  -1.994  -1.920
  175   1HG2  ILE  12          1HG2      ILE  12  -9.135   0.900  -0.880
  176   2HG2  ILE  12          2HG2      ILE  12  -7.825  -0.183  -0.408
  177   3HG2  ILE  12          3HG2      ILE  12  -9.493  -0.758  -0.398
  178   1HD1  ILE  12          1HD1      ILE  12  -9.045  -2.766  -0.666
  179   2HD1  ILE  12          2HD1      ILE  12  -8.451  -3.998  -1.782
  180   3HD1  ILE  12          3HD1      ILE  12  -9.896  -3.068  -2.183
  181    H    GLN  13           HN       GLN  13 -12.207   0.444  -2.420
  182    HA   GLN  13           HA       GLN  13 -11.489   3.217  -3.105
  183   1HB   GLN  13          2HB       GLN  13 -13.257   2.367  -4.562
  184   2HB   GLN  13          1HB       GLN  13 -14.184   1.830  -3.171
  185   1HG   GLN  13          2HG       GLN  13 -15.165   3.829  -4.000
  186   2HG   GLN  13          1HG       GLN  13 -14.391   4.194  -2.461
  187   1HE2  GLN  13          1HE2      GLN  13 -12.584   5.503  -2.421
  188   2HE2  GLN  13          2HE2      GLN  13 -12.093   6.463  -3.777
  189    H    ILE  14           HN       ILE  14 -10.839   3.984  -1.159
  190    HA   ILE  14           HA       ILE  14 -12.638   3.478   1.107
  191    HB   ILE  14           HB       ILE  14 -10.719   3.737   2.636
  192   1HG1  ILE  14          2HG1      ILE  14  -9.280   4.931   0.848
  193   2HG1  ILE  14          1HG1      ILE  14  -8.490   3.821   1.957
  194   1HG2  ILE  14          1HG2      ILE  14  -9.812   1.502   2.259
  195   2HG2  ILE  14          2HG2      ILE  14 -10.500   1.502   0.635
  196   3HG2  ILE  14          3HG2      ILE  14 -11.561   1.553   2.041
  197   1HD1  ILE  14          1HD1      ILE  14  -8.510   2.097   0.220
  198   2HD1  ILE  14          2HD1      ILE  14  -7.644   3.548  -0.283
  199   3HD1  ILE  14          3HD1      ILE  14  -9.270   3.239  -0.887
  200    H    GLY  15           HN       GLY  15 -13.724   5.143   1.707
  201   1HA   GLY  15          2HA       GLY  15 -14.205   7.204   2.565
  202   2HA   GLY  15          1HA       GLY  15 -12.493   7.323   2.925
  203    H    ALA  16           HN       ALA  16 -13.393   6.953  -0.370
  204    HA   ALA  16           HA       ALA  16 -13.286   8.287  -2.183
  205   1HB   ALA  16          1HB       ALA  16 -14.224  10.512  -2.044
  206   2HB   ALA  16          2HB       ALA  16 -14.083  10.486  -0.285
  207   3HB   ALA  16          3HB       ALA  16 -15.191   9.380  -1.098
  208    H    ASP  17           HN       ASP  17 -10.883   8.124  -0.232
  209    HA   ASP  17           HA       ASP  17  -9.441  10.452  -1.315
  210   1HB   ASP  17          2HB       ASP  17  -9.162  10.142   1.103
  211   2HB   ASP  17          1HB       ASP  17  -8.562   8.507   0.835
  212    H    ILE  18           HN       ILE  18  -9.299   6.932  -1.075
  213    HA   ILE  18           HA       ILE  18  -7.380   6.948  -3.303
  214    HB   ILE  18           HB       ILE  18  -7.409   5.155  -0.872
  215   1HG1  ILE  18          2HG1      ILE  18  -6.287   7.312  -0.576
  216   2HG1  ILE  18          1HG1      ILE  18  -5.123   5.993  -0.555
  217   1HG2  ILE  18          1HG2      ILE  18  -5.541   3.934  -1.887
  218   2HG2  ILE  18          2HG2      ILE  18  -5.718   4.884  -3.362
  219   3HG2  ILE  18          3HG2      ILE  18  -7.007   3.791  -2.855
  220   1HD1  ILE  18          1HD1      ILE  18  -5.669   7.839  -2.870
  221   2HD1  ILE  18          2HD1      ILE  18  -4.518   6.504  -2.871
  222   3HD1  ILE  18          3HD1      ILE  18  -4.265   7.883  -1.801
  223    H    GLU  19           HN       GLU  19  -8.064   5.942  -5.051
  224    HA   GLU  19           HA       GLU  19  -9.659   3.504  -4.786
  225   1HB   GLU  19          2HB       GLU  19 -11.002   4.152  -6.773
  226   2HB   GLU  19          1HB       GLU  19 -11.283   5.201  -5.392
  227   1HG   GLU  19          2HG       GLU  19  -9.992   6.950  -6.359
  228   2HG   GLU  19          1HG       GLU  19  -9.413   5.891  -7.642
  229    H    VAL  20           HN       VAL  20  -8.601   1.868  -5.792
  230    HA   VAL  20           HA       VAL  20  -7.480   1.934  -8.327
  231    HB   VAL  20           HB       VAL  20  -5.890   3.580  -7.463
  232   1HG1  VAL  20          1HG1      VAL  20  -4.265   3.008  -5.733
  233   2HG1  VAL  20          2HG1      VAL  20  -5.064   1.456  -5.489
  234   3HG1  VAL  20          3HG1      VAL  20  -5.915   2.955  -5.110
  235   1HG2  VAL  20          1HG2      VAL  20  -3.800   2.478  -8.087
  236   2HG2  VAL  20          2HG2      VAL  20  -5.110   2.043  -9.186
  237   3HG2  VAL  20          3HG2      VAL  20  -4.584   0.905  -7.947
  238    H    LYS  21           HN       LYS  21  -7.084  -0.131  -8.949
  239    HA   LYS  21           HA       LYS  21  -5.783  -1.865  -6.996
  240   1HB   LYS  21          2HB       LYS  21  -6.924  -3.840  -8.171
  241   2HB   LYS  21          1HB       LYS  21  -7.836  -2.927  -6.987
  242   1HG   LYS  21          2HG       LYS  21  -9.376  -3.269  -8.648
  243   2HG   LYS  21          1HG       LYS  21  -8.772  -1.655  -9.045
  244   1HD   LYS  21          2HD       LYS  21  -7.350  -2.584 -10.763
  245   2HD   LYS  21          1HD       LYS  21  -7.786  -4.225 -10.287
  246   1HE   LYS  21          2HE       LYS  21  -9.013  -3.637 -12.264
  247   2HE   LYS  21          1HE       LYS  21 -10.130  -3.735 -10.905
  248   1HZ   LYS  21          1HZ       LYS  21 -10.349  -1.784 -12.501
  249   2HZ   LYS  21          2HZ       LYS  21  -8.968  -1.148 -11.743
  250   3HZ   LYS  21          3HZ       LYS  21 -10.377  -1.440 -10.843
  251    H    VAL  22           HN       VAL  22  -3.769  -1.615  -7.723
  252    HA   VAL  22           HA       VAL  22  -3.302  -2.410 -10.508
  253    HB   VAL  22           HB       VAL  22  -0.938  -1.710 -10.187
  254   1HG1  VAL  22          1HG1      VAL  22  -2.998   0.404  -9.586
  255   2HG1  VAL  22          2HG1      VAL  22  -2.536  -0.185 -11.183
  256   3HG1  VAL  22          3HG1      VAL  22  -1.372   0.700 -10.200
  257   1HG2  VAL  22          1HG2      VAL  22  -1.900  -0.653  -7.529
  258   2HG2  VAL  22          2HG2      VAL  22  -0.326  -0.334  -8.260
  259   3HG2  VAL  22          3HG2      VAL  22  -0.756  -1.974  -7.769
  260    H    ILE  23           HN       ILE  23  -3.068  -4.461 -10.816
  261    HA   ILE  23           HA       ILE  23  -2.489  -6.149  -8.515
  262    HB   ILE  23           HB       ILE  23  -3.580  -6.826 -11.244
  263   1HG1  ILE  23          2HG1      ILE  23  -5.027  -5.435  -9.694
  264   2HG1  ILE  23          1HG1      ILE  23  -5.729  -6.978 -10.184
  265   1HG2  ILE  23          1HG2      ILE  23  -2.354  -8.706 -10.283
  266   2HG2  ILE  23          2HG2      ILE  23  -4.091  -9.025 -10.319
  267   3HG2  ILE  23          3HG2      ILE  23  -3.308  -8.573  -8.804
  268   1HD1  ILE  23          1HD1      ILE  23  -6.123  -6.527  -7.837
  269   2HD1  ILE  23          2HD1      ILE  23  -4.387  -6.391  -7.553
  270   3HD1  ILE  23          3HD1      ILE  23  -5.086  -7.941  -8.032
  271    H    ALA  24           HN       ALA  24  -0.705  -7.248  -8.276
  272    HA   ALA  24           HA       ALA  24   1.124  -7.552 -10.561
  273   1HB   ALA  24          1HB       ALA  24   1.904  -6.909  -7.715
  274   2HB   ALA  24          2HB       ALA  24   1.935  -5.780  -9.069
  275   3HB   ALA  24          3HB       ALA  24   3.011  -7.176  -9.061
  276    H    VAL  25           HN       VAL  25   2.569  -9.406 -10.372
  277    HA   VAL  25           HA       VAL  25   1.192 -11.597  -9.046
  278    HB   VAL  25           HB       VAL  25   1.745 -11.984 -11.355
  279   1HG1  VAL  25          1HG1      VAL  25   4.626 -11.544 -10.596
  280   2HG1  VAL  25          2HG1      VAL  25   3.641 -10.500 -11.620
  281   3HG1  VAL  25          3HG1      VAL  25   4.060 -12.127 -12.159
  282   1HG2  VAL  25          1HG2      VAL  25   3.484 -13.637  -9.532
  283   2HG2  VAL  25          2HG2      VAL  25   2.984 -14.093 -11.161
  284   3HG2  VAL  25          3HG2      VAL  25   1.778 -13.910  -9.886
  285    H    GLU  26           HN       GLU  26   1.677 -12.062  -7.097
  286    HA   GLU  26           HA       GLU  26   4.237 -11.353  -5.908
  287   1HB   GLU  26          2HB       GLU  26   1.937 -10.925  -4.880
  288   2HB   GLU  26          1HB       GLU  26   1.825 -12.667  -4.647
  289   1HG   GLU  26          2HG       GLU  26   2.465 -11.656  -2.595
  290   2HG   GLU  26          1HG       GLU  26   3.848 -12.555  -3.223
  291    H    GLY  27           HN       GLY  27   4.528 -13.328  -7.808
  292   1HA   GLY  27          2HA       GLY  27   5.590 -15.391  -7.980
  293   2HA   GLY  27          1HA       GLY  27   5.315 -15.648  -6.262
  294    H    ASP  28           HN       ASP  28   3.160 -16.247  -5.573
  295    HA   ASP  28           HA       ASP  28   1.461 -17.303  -7.718
  296   1HB   ASP  28          2HB       ASP  28   2.803 -19.136  -6.628
  297   2HB   ASP  28          1HB       ASP  28   1.992 -18.756  -5.115
  298    H    GLN  29           HN       GLN  29   1.627 -14.995  -5.755
  299    HA   GLN  29           HA       GLN  29  -1.108 -15.226  -4.699
  300   1HB   GLN  29          2HB       GLN  29   0.406 -14.951  -2.867
  301   2HB   GLN  29          1HB       GLN  29   1.295 -13.702  -3.722
  302   1HG   GLN  29          2HG       GLN  29  -0.223 -12.072  -3.244
  303   2HG   GLN  29          1HG       GLN  29  -1.562 -13.212  -3.065
  304   1HE2  GLN  29          1HE2      GLN  29   1.200 -11.759  -1.554
  305   2HE2  GLN  29          2HE2      GLN  29   0.820 -12.238   0.063
  306    H    VAL  30           HN       VAL  30  -2.552 -13.598  -5.199
  307    HA   VAL  30           HA       VAL  30  -1.511 -11.576  -7.041
  308    HB   VAL  30           HB       VAL  30  -3.854 -11.260  -7.838
  309   1HG1  VAL  30          1HG1      VAL  30  -3.987 -13.387  -9.115
  310   2HG1  VAL  30          2HG1      VAL  30  -2.706 -14.037  -8.093
  311   3HG1  VAL  30          3HG1      VAL  30  -2.385 -12.653  -9.136
  312   1HG2  VAL  30          1HG2      VAL  30  -4.429 -13.700  -6.160
  313   2HG2  VAL  30          2HG2      VAL  30  -5.537 -12.962  -7.317
  314   3HG2  VAL  30          3HG2      VAL  30  -5.044 -12.070  -5.878
  315    H    LYS  31           HN       LYS  31  -1.439  -9.583  -6.427
  316    HA   LYS  31           HA       LYS  31  -3.112  -8.730  -4.193
  317   1HB   LYS  31          2HB       LYS  31  -1.267  -7.910  -2.954
  318   2HB   LYS  31          1HB       LYS  31  -0.851  -9.550  -3.439
  319   1HG   LYS  31          2HG       LYS  31   0.452  -8.570  -5.329
  320   2HG   LYS  31          1HG       LYS  31   0.127  -6.968  -4.658
  321   1HD   LYS  31          2HD       LYS  31   1.716  -9.216  -3.441
  322   2HD   LYS  31          1HD       LYS  31   2.268  -7.597  -3.873
  323   1HE   LYS  31          2HE       LYS  31   0.825  -6.651  -2.135
  324   2HE   LYS  31          1HE       LYS  31   0.287  -8.275  -1.703
  325   1HZ   LYS  31          1HZ       LYS  31   2.839  -8.671  -1.430
  326   2HZ   LYS  31          2HZ       LYS  31   1.940  -7.944  -0.189
  327   3HZ   LYS  31          3HZ       LYS  31   2.879  -6.987  -1.218
  328    H    LEU  32           HN       LEU  32  -3.544  -6.535  -4.129
  329    HA   LEU  32           HA       LEU  32  -2.938  -5.060  -6.594
  330   1HB   LEU  32          2HB       LEU  32  -4.757  -3.549  -5.864
  331   2HB   LEU  32          1HB       LEU  32  -5.306  -5.192  -6.115
  332    HG   LEU  32           HG       LEU  32  -4.837  -5.328  -3.490
  333   1HD1  LEU  32          1HD1      LEU  32  -5.530  -2.435  -3.940
  334   2HD1  LEU  32          2HD1      LEU  32  -4.019  -3.058  -3.278
  335   3HD1  LEU  32          3HD1      LEU  32  -5.525  -3.264  -2.384
  336   1HD2  LEU  32          1HD2      LEU  32  -6.939  -5.862  -4.565
  337   2HD2  LEU  32          2HD2      LEU  32  -7.303  -4.146  -4.751
  338   3HD2  LEU  32          3HD2      LEU  32  -7.216  -4.860  -3.140
  339    H    GLY  33           HN       GLY  33  -2.459  -2.686  -6.272
  340   1HA   GLY  33          2HA       GLY  33  -1.283  -2.185  -3.621
  341   2HA   GLY  33          1HA       GLY  33  -0.399  -1.784  -5.087
  342    H    ILE  34           HN       ILE  34  -1.651  -0.223  -2.737
  343    HA   ILE  34           HA       ILE  34  -3.180   1.654  -4.343
  344    HB   ILE  34           HB       ILE  34  -3.656   2.925  -2.396
  345   1HG1  ILE  34          2HG1      ILE  34  -2.043   1.105  -0.641
  346   2HG1  ILE  34          1HG1      ILE  34  -1.280   2.491  -1.423
  347   1HG2  ILE  34          1HG2      ILE  34  -4.775   1.255  -0.981
  348   2HG2  ILE  34          2HG2      ILE  34  -3.866  -0.019  -1.795
  349   3HG2  ILE  34          3HG2      ILE  34  -5.019   0.961  -2.702
  350   1HD1  ILE  34          1HD1      ILE  34  -3.651   2.580   0.428
  351   2HD1  ILE  34          2HD1      ILE  34  -2.901   3.971  -0.355
  352   3HD1  ILE  34          3HD1      ILE  34  -1.996   3.033   0.832
  353    H    ASP  35           HN       ASP  35  -2.216   3.324  -5.358
  354    HA   ASP  35           HA       ASP  35   0.493   4.050  -4.467
  355   1HB   ASP  35          2HB       ASP  35   0.845   3.161  -6.589
  356   2HB   ASP  35          1HB       ASP  35  -0.652   3.811  -7.232
  357    H    ALA  36           HN       ALA  36   0.810   6.021  -3.786
  358    HA   ALA  36           HA       ALA  36  -1.031   8.153  -4.600
  359   1HB   ALA  36          1HB       ALA  36  -1.247   8.902  -2.278
  360   2HB   ALA  36          2HB       ALA  36  -0.313   7.507  -1.743
  361   3HB   ALA  36          3HB       ALA  36  -1.888   7.275  -2.496
  362    HA   PRO  37           HA       PRO  37   2.716  10.442  -5.038
  363   1HB   PRO  37          2HB       PRO  37   1.756  12.962  -4.933
  364   2HB   PRO  37          1HB       PRO  37   1.429  11.881  -6.293
  365   1HG   PRO  37          2HG       PRO  37  -0.308  12.520  -3.928
  366   2HG   PRO  37          1HG       PRO  37  -0.745  12.452  -5.648
  367   1HD   PRO  37          2HD       PRO  37  -1.248  10.414  -3.954
  368   2HD   PRO  37          1HD       PRO  37  -0.839  10.149  -5.662
  369    H    LYS  38           HN       LYS  38   2.258   9.521  -2.367
  370    HA   LYS  38           HA       LYS  38   3.063   9.791  -0.271
  371   1HB   LYS  38          2HB       LYS  38   5.073  10.423  -1.651
  372   2HB   LYS  38          1HB       LYS  38   4.639  12.105  -1.393
  373   1HG   LYS  38          2HG       LYS  38   6.414  11.255   0.104
  374   2HG   LYS  38          1HG       LYS  38   5.011  11.908   0.949
  375   1HD   LYS  38          2HD       LYS  38   4.304   9.825   1.677
  376   2HD   LYS  38          1HD       LYS  38   5.123   8.973   0.367
  377   1HE   LYS  38          2HE       LYS  38   6.234   8.617   2.519
  378   2HE   LYS  38          1HE       LYS  38   7.279   9.435   1.356
  379   1HZ   LYS  38          1HZ       LYS  38   5.690  10.960   3.335
  380   2HZ   LYS  38          2HZ       LYS  38   7.066  11.453   2.470
  381   3HZ   LYS  38          3HZ       LYS  38   7.211  10.331   3.725
  382    H    HIS  39           HN       HIS  39   0.733  11.442  -1.279
  383    HA   HIS  39           HA       HIS  39   0.537  13.769   0.299
  384   1HB   HIS  39          2HB       HIS  39  -1.798  13.710  -0.178
  385   2HB   HIS  39          1HB       HIS  39  -1.043  12.971  -1.583
  386    HD1  HIS  39           1HD      HIS  39  -0.631  10.219   0.148
  387    HD2  HIS  39           2HD      HIS  39  -4.184  12.207  -0.656
  388    HE1  HIS  39           1HE      HIS  39  -2.409   8.540   0.538
  389    HE2  HIS  39           2HE      HIS  39  -4.600   9.782   0.181
  390    H    ILE  40           HN       ILE  40  -1.319  13.743   2.100
  391    HA   ILE  40           HA       ILE  40  -0.594  11.771   4.096
  392    HB   ILE  40           HB       ILE  40  -1.910  13.025   5.667
  393   1HG1  ILE  40          2HG1      ILE  40  -3.718  13.532   3.900
  394   2HG1  ILE  40          1HG1      ILE  40  -3.439  14.726   5.167
  395   1HG2  ILE  40          1HG2      ILE  40  -0.824  15.218   5.598
  396   2HG2  ILE  40          2HG2      ILE  40  -0.344  14.919   3.928
  397   3HG2  ILE  40          3HG2      ILE  40   0.300  13.912   5.224
  398   1HD1  ILE  40          1HD1      ILE  40  -2.538  14.852   2.298
  399   2HD1  ILE  40          2HD1      ILE  40  -2.028  15.991   3.541
  400   3HD1  ILE  40          3HD1      ILE  40  -3.731  15.872   3.099
  401    H    ASP  41           HN       ASP  41  -2.057  10.214   4.843
  402    HA   ASP  41           HA       ASP  41  -4.224   9.734   2.972
  403   1HB   ASP  41          2HB       ASP  41  -4.349   7.489   4.264
  404   2HB   ASP  41          1HB       ASP  41  -3.000   7.808   3.170
  405    H    ILE  42           HN       ILE  42  -6.192  10.200   3.340
  406    HA   ILE  42           HA       ILE  42  -6.956  11.449   5.815
  407    HB   ILE  42           HB       ILE  42  -8.696  10.767   3.432
  408   1HG1  ILE  42          2HG1      ILE  42  -7.080  13.272   3.949
  409   2HG1  ILE  42          1HG1      ILE  42  -6.728  12.055   2.724
  410   1HG2  ILE  42          1HG2      ILE  42  -9.008  12.882   5.563
  411   2HG2  ILE  42          2HG2      ILE  42  -9.931  11.381   5.450
  412   3HG2  ILE  42          3HG2      ILE  42 -10.093  12.613   4.197
  413   1HD1  ILE  42          1HD1      ILE  42  -7.789  13.991   1.734
  414   2HD1  ILE  42          2HD1      ILE  42  -9.163  13.818   2.826
  415   3HD1  ILE  42          3HD1      ILE  42  -8.842  12.580   1.612
  416    H    HIS  43           HN       HIS  43  -8.477  10.686   7.310
  417    HA   HIS  43           HA       HIS  43  -9.524   7.984   6.831
  418   1HB   HIS  43          2HB       HIS  43  -8.356   8.723   9.512
  419   2HB   HIS  43          1HB       HIS  43  -8.887   7.137   8.946
  420    HD1  HIS  43           1HD      HIS  43  -5.897   8.678   9.771
  421    HD2  HIS  43           2HD      HIS  43  -7.137   6.619   6.378
  422    HE1  HIS  43           1HE      HIS  43  -3.798   7.851   8.645
  423    HE2  HIS  43           2HE      HIS  43  -4.561   6.859   6.493
  424    H    ARG  44           HN       ARG  44 -11.194   7.413   8.546
  425    HA   ARG  44           HA       ARG  44 -12.972   9.731   8.736
  426   1HB   ARG  44          2HB       ARG  44 -13.821   7.662   7.683
  427   2HB   ARG  44          1HB       ARG  44 -13.559   6.799   9.192
  428   1HG   ARG  44          2HG       ARG  44 -15.197   8.192  10.307
  429   2HG   ARG  44          1HG       ARG  44 -15.437   9.123   8.827
  430   1HD   ARG  44          2HD       ARG  44 -17.218   7.526   9.029
  431   2HD   ARG  44          1HD       ARG  44 -16.169   7.042   7.699
  432    HE   ARG  44           HE       ARG  44 -15.189   5.639   9.804
  433   1HH1  ARG  44          1HH1      ARG  44 -18.358   5.983   8.352
  434   2HH1  ARG  44          2HH1      ARG  44 -18.917   4.419   8.880
  435   1HH2  ARG  44          1HH2      ARG  44 -15.905   3.571  10.497
  436   2HH2  ARG  44          2HH2      ARG  44 -17.516   3.048  10.105
  437    H    LYS  45           HN       LYS  45 -12.615   6.906  10.845
  438    HA   LYS  45           HA       LYS  45 -12.102   8.727  13.113
  439   1HB   LYS  45          2HB       LYS  45 -13.615   6.103  13.127
  440   2HB   LYS  45          1HB       LYS  45 -13.185   7.018  14.564
  441   1HG   LYS  45          2HG       LYS  45 -14.563   8.891  13.748
  442   2HG   LYS  45          1HG       LYS  45 -15.041   7.901  12.365
  443   1HD   LYS  45          2HD       LYS  45 -16.742   7.840  14.115
  444   2HD   LYS  45          1HD       LYS  45 -16.015   6.250  13.886
  445   1HE   LYS  45          2HE       LYS  45 -16.252   6.689  16.245
  446   2HE   LYS  45          1HE       LYS  45 -14.542   6.679  15.819
  447   1HZ   LYS  45          1HZ       LYS  45 -14.546   9.089  15.816
  448   2HZ   LYS  45          2HZ       LYS  45 -15.107   8.509  17.308
  449   3HZ   LYS  45          3HZ       LYS  45 -16.206   9.115  16.172
  450    H    GLU  46           HN       GLU  46 -11.915   5.313  12.209
  451    HA   GLU  46           HA       GLU  46  -9.159   5.149  13.155
  452   1HB   GLU  46          2HB       GLU  46  -9.362   2.758  12.586
  453   2HB   GLU  46          1HB       GLU  46 -10.671   3.265  13.646
  454   1HG   GLU  46          2HG       GLU  46 -12.125   3.491  11.651
  455   2HG   GLU  46          1HG       GLU  46 -10.816   2.836  10.672
  456    H    ILE  47           HN       ILE  47  -7.708   3.870  11.419
  457    HA   ILE  47           HA       ILE  47  -7.782   5.546   9.076
  458    HB   ILE  47           HB       ILE  47  -5.770   4.539   8.346
  459   1HG1  ILE  47          2HG1      ILE  47  -6.139   2.497  10.558
  460   2HG1  ILE  47          1HG1      ILE  47  -6.242   2.180   8.831
  461   1HG2  ILE  47          1HG2      ILE  47  -5.593   6.173  10.159
  462   2HG2  ILE  47          2HG2      ILE  47  -4.302   4.980  10.262
  463   3HG2  ILE  47          3HG2      ILE  47  -5.686   4.877  11.352
  464   1HD1  ILE  47          1HD1      ILE  47  -3.877   2.723   8.594
  465   2HD1  ILE  47          2HD1      ILE  47  -4.131   1.420   9.755
  466   3HD1  ILE  47          3HD1      ILE  47  -3.778   3.052  10.323
  467    H    TYR  48           HN       TYR  48  -8.784   5.119   7.242
  468    HA   TYR  48           HA       TYR  48 -10.039   2.527   7.047
  469   1HB   TYR  48          2HB       TYR  48 -11.539   3.517   5.415
  470   2HB   TYR  48          1HB       TYR  48 -11.468   4.457   6.897
  471    HD1  TYR  48           1HD      TYR  48  -9.254   4.483   3.926
  472    HD2  TYR  48           2HD      TYR  48 -12.041   6.635   6.295
  473    HE1  TYR  48           1HE      TYR  48  -8.754   6.517   2.647
  474    HE2  TYR  48           2HE      TYR  48 -11.547   8.686   5.032
  475    HH   TYR  48           HH       TYR  48  -9.877   8.675   2.111
  476    H    LEU  49           HN       LEU  49  -7.295   3.991   5.814
  477    HA   LEU  49           HA       LEU  49  -7.215   2.420   3.373
  478   1HB   LEU  49          2HB       LEU  49  -5.094   4.079   4.739
  479   2HB   LEU  49          1HB       LEU  49  -4.820   3.171   3.268
  480    HG   LEU  49           HG       LEU  49  -6.873   4.619   2.418
  481   1HD1  LEU  49          1HD1      LEU  49  -6.770   6.880   3.314
  482   2HD1  LEU  49          2HD1      LEU  49  -5.609   6.349   4.531
  483   3HD1  LEU  49          3HD1      LEU  49  -7.256   5.721   4.552
  484   1HD2  LEU  49          1HD2      LEU  49  -4.056   5.661   2.643
  485   2HD2  LEU  49          2HD2      LEU  49  -5.267   6.182   1.473
  486   3HD2  LEU  49          3HD2      LEU  49  -4.643   4.532   1.424
  487    H    THR  50           HN       THR  50  -4.988   2.617   6.124
  488    HA   THR  50           HA       THR  50  -3.738   1.120   7.203
  489    HB   THR  50           HB       THR  50  -6.152   0.002   7.394
  490    HG1  THR  50           1HG      THR  50  -5.099  -0.638   9.107
  491   1HG2  THR  50          1HG2      THR  50  -4.521  -2.135   6.009
  492   2HG2  THR  50          2HG2      THR  50  -5.951  -1.345   5.344
  493   3HG2  THR  50          3HG2      THR  50  -6.094  -2.362   6.778
  494    H    ILE  51           HN       ILE  51  -3.818   1.320   4.064
  495    HA   ILE  51           HA       ILE  51  -1.996  -0.883   3.515
  496    HB   ILE  51           HB       ILE  51  -2.687   1.193   1.514
  497   1HG1  ILE  51          2HG1      ILE  51  -4.763   0.421   2.751
  498   2HG1  ILE  51          1HG1      ILE  51  -4.707   0.201   1.032
  499   1HG2  ILE  51          1HG2      ILE  51  -2.517  -0.696  -0.019
  500   2HG2  ILE  51          2HG2      ILE  51  -2.209  -1.768   1.346
  501   3HG2  ILE  51          3HG2      ILE  51  -1.049  -0.504   0.940
  502   1HD1  ILE  51          1HD1      ILE  51  -5.695  -1.688   2.169
  503   2HD1  ILE  51          2HD1      ILE  51  -4.144  -1.961   2.966
  504   3HD1  ILE  51          3HD1      ILE  51  -4.276  -2.096   1.208
  505    H    GLN  52           HN       GLN  52  -2.058   2.584   2.690
  506    HA   GLN  52           HA       GLN  52   0.825   2.669   2.663
  507   1HB   GLN  52          2HB       GLN  52   0.695   4.753   1.703
  508   2HB   GLN  52          1HB       GLN  52  -0.802   4.018   1.129
  509   1HG   GLN  52          2HG       GLN  52  -2.109   5.241   2.664
  510   2HG   GLN  52          1HG       GLN  52  -0.697   5.723   3.600
  511   1HE2  GLN  52          1HE2      GLN  52  -0.903   7.885   3.475
  512   2HE2  GLN  52          2HE2      GLN  52  -0.845   8.776   1.992
  513    H    GLU  53           HN       GLU  53  -1.697   3.420   4.952
  514    HA   GLU  53           HA       GLU  53  -0.259   5.265   6.534
  515   1HB   GLU  53          2HB       GLU  53  -2.744   4.522   6.701
  516   2HB   GLU  53          1HB       GLU  53  -2.134   3.201   7.697
  517   1HG   GLU  53          2HG       GLU  53  -1.829   6.144   8.271
  518   2HG   GLU  53          1HG       GLU  53  -2.976   5.054   9.038
  519    H    GLU  54           HN       GLU  54  -0.388   1.787   6.375
  520    HA   GLU  54           HA       GLU  54   1.520   1.210   8.366
  521   1HB   GLU  54          2HB       GLU  54   0.366  -0.242   6.002
  522   2HB   GLU  54          1HB       GLU  54   1.727  -0.941   6.888
  523   1HG   GLU  54          2HG       GLU  54  -0.949  -0.186   8.052
  524   2HG   GLU  54          1HG       GLU  54  -0.410  -1.819   7.661
  525    H    ASN  55           HN       ASN  55   1.799   2.285   5.068
  526    HA   ASN  55           HA       ASN  55   4.704   1.825   5.102
  527   1HB   ASN  55          2HB       ASN  55   2.735   1.009   2.991
  528   2HB   ASN  55          1HB       ASN  55   4.480   1.034   2.735
  529   1HD2  ASN  55          1HD2      ASN  55   1.827  -0.574   4.249
  530   2HD2  ASN  55          2HD2      ASN  55   2.700  -1.970   4.778
  531    H    ASN  56           HN       ASN  56   3.666   4.342   5.471
  532    HA   ASN  56           HA       ASN  56   3.319   5.668   2.960
  533   1HB   ASN  56          2HB       ASN  56   2.127   6.319   5.038
  534   2HB   ASN  56          1HB       ASN  56   3.664   6.834   5.720
  535   1HD2  ASN  56          1HD2      ASN  56   1.160   8.301   5.134
  536   2HD2  ASN  56          2HD2      ASN  56   1.652   9.642   4.159
  537    H    ARG  57           HN       ARG  57   5.614   5.916   5.594
  538    HA   ARG  57           HA       ARG  57   7.555   7.436   4.246
  539   1HB   ARG  57          2HB       ARG  57   9.016   6.691   6.135
  540   2HB   ARG  57          1HB       ARG  57   7.473   7.366   6.650
  541   1HG   ARG  57          2HG       ARG  57   6.613   5.005   6.766
  542   2HG   ARG  57          1HG       ARG  57   8.281   4.476   6.550
  543   1HD   ARG  57          2HD       ARG  57   7.919   4.471   8.878
  544   2HD   ARG  57          1HD       ARG  57   8.854   5.930   8.552
  545    HE   ARG  57           HE       ARG  57   5.971   6.263   8.626
  546   1HH1  ARG  57          1HH1      ARG  57   9.014   6.490  10.356
  547   2HH1  ARG  57          2HH1      ARG  57   8.355   7.484  11.618
  548   1HH2  ARG  57          1HH2      ARG  57   5.125   7.603  10.293
  549   2HH2  ARG  57          2HH2      ARG  57   6.167   8.096  11.597
  550    H    ALA  58           HN       ALA  58   7.174   3.930   4.704
  551    HA   ALA  58           HA       ALA  58   8.957   3.442   2.475
  552   1HB   ALA  58          1HB       ALA  58  10.496   3.576   4.371
  553   2HB   ALA  58          2HB       ALA  58  10.431   1.944   3.700
  554   3HB   ALA  58          3HB       ALA  58   9.581   2.317   5.200
  555    H    ALA  59           HN       ALA  59   7.063   2.624   1.522
  556    HA   ALA  59           HA       ALA  59   5.567   0.435   2.389
  557   1HB   ALA  59          1HB       ALA  59   6.377   1.097  -0.444
  558   2HB   ALA  59          2HB       ALA  59   5.024   1.822   0.427
  559   3HB   ALA  59          3HB       ALA  59   5.009   0.099   0.050
  560    H    ALA  60           HN       ALA  60   6.107  -1.621   2.803
  561    HA   ALA  60           HA       ALA  60   8.216  -2.959   1.289
  562   1HB   ALA  60          1HB       ALA  60   8.409  -2.622   4.274
  563   2HB   ALA  60          2HB       ALA  60   9.409  -1.792   3.082
  564   3HB   ALA  60          3HB       ALA  60   9.509  -3.545   3.252
  565    H    LEU  61           HN       LEU  61   5.246  -3.322   1.834
  566    HA   LEU  61           HA       LEU  61   5.335  -5.834   3.326
  567   1HB   LEU  61          2HB       LEU  61   3.047  -4.007   2.666
  568   2HB   LEU  61          1HB       LEU  61   2.800  -5.632   3.275
  569    HG   LEU  61           HG       LEU  61   4.146  -3.337   4.693
  570   1HD1  LEU  61          1HD1      LEU  61   2.381  -3.700   6.345
  571   2HD1  LEU  61          2HD1      LEU  61   1.712  -4.992   5.348
  572   3HD1  LEU  61          3HD1      LEU  61   1.709  -3.330   4.756
  573   1HD2  LEU  61          1HD2      LEU  61   3.928  -6.213   5.570
  574   2HD2  LEU  61          2HD2      LEU  61   4.536  -4.874   6.543
  575   3HD2  LEU  61          3HD2      LEU  61   5.413  -5.385   5.102
  576    H    SER  62           HN       SER  62   5.596  -7.542   2.252
  577    HA   SER  62           HA       SER  62   3.924  -8.349   0.066
  578   1HB   SER  62          2HB       SER  62   6.933  -8.182  -0.317
  579   2HB   SER  62          1HB       SER  62   5.789  -8.901  -1.448
  580    HG   SER  62           HG       SER  62   5.566  -6.997  -2.264
  581    H    SER  63           HN       SER  63   6.984  -8.965   1.544
  582    HA   SER  63           HA       SER  63   6.715 -10.845   3.382
  583   1HB   SER  63          2HB       SER  63   6.667 -12.194   0.667
  584   2HB   SER  63          1HB       SER  63   7.357 -13.003   2.074
  585    HG   SER  63           HG       SER  63   4.709 -11.968   1.931
  586    H    ASP  64           HN       ASP  64   8.208 -10.213   0.336
  587    HA   ASP  64           HA       ASP  64  10.892 -10.214   1.467
  588   1HB   ASP  64          2HB       ASP  64   9.722 -10.042  -1.289
  589   2HB   ASP  64          1HB       ASP  64  11.382  -9.507  -1.000
  590    H    VAL  65           HN       VAL  65  11.062  -8.455   2.733
  591    HA   VAL  65           HA       VAL  65  10.011  -5.891   2.187
  592    HB   VAL  65           HB       VAL  65  12.473  -6.577   3.778
  593   1HG1  VAL  65          1HG1      VAL  65  12.278  -4.200   3.331
  594   2HG1  VAL  65          2HG1      VAL  65  11.974  -4.530   5.038
  595   3HG1  VAL  65          3HG1      VAL  65  10.625  -4.205   3.948
  596   1HG2  VAL  65          1HG2      VAL  65  11.000  -6.668   5.740
  597   2HG2  VAL  65          2HG2      VAL  65  10.593  -7.905   4.552
  598   3HG2  VAL  65          3HG2      VAL  65   9.603  -6.453   4.687
  599    H    ILE  66           HN       ILE  66  13.456  -6.592   2.386
  600    HA   ILE  66           HA       ILE  66  13.894  -5.209  -0.173
  601    HB   ILE  66           HB       ILE  66  15.973  -5.745   1.970
  602   1HG1  ILE  66          2HG1      ILE  66  14.410  -3.196   1.478
  603   2HG1  ILE  66          1HG1      ILE  66  14.179  -4.282   2.842
  604   1HG2  ILE  66          1HG2      ILE  66  15.960  -3.890  -0.413
  605   2HG2  ILE  66          2HG2      ILE  66  16.900  -5.374  -0.245
  606   3HG2  ILE  66          3HG2      ILE  66  17.244  -3.989   0.793
  607   1HD1  ILE  66          1HD1      ILE  66  16.455  -3.810   3.594
  608   2HD1  ILE  66          2HD1      ILE  66  15.478  -2.346   3.483
  609   3HD1  ILE  66          3HD1      ILE  66  16.669  -2.707   2.234
  610    H    SER  67           HN       SER  67  13.468  -8.077   1.147
  611    HA   SER  67           HA       SER  67  13.703 -10.202   0.542
  612   1HB   SER  67          2HB       SER  67  13.284  -9.319  -1.692
  613   2HB   SER  67          1HB       SER  67  15.008  -9.054  -1.907
  614    HG   SER  67           HG       SER  67  13.591 -11.492  -1.708
  615    H    ALA  68           HN       ALA  68  16.733  -8.824  -0.776
  616    HA   ALA  68           HA       ALA  68  18.351 -10.937   0.158
  617   1HB   ALA  68          1HB       ALA  68  19.158  -8.106  -0.510
  618   2HB   ALA  68          2HB       ALA  68  19.014  -9.433  -1.664
  619   3HB   ALA  68          3HB       ALA  68  20.239  -9.497  -0.395
  620    H    LEU  69           HN       LEU  69  18.840 -11.442   2.150
  621    HA   LEU  69           HA       LEU  69  19.575 -11.329   4.293
  622   1HB   LEU  69          2HB       LEU  69  19.861  -8.355   3.877
  623   2HB   LEU  69          1HB       LEU  69  20.571  -9.304   5.169
  624    HG   LEU  69           HG       LEU  69  21.268  -9.549   2.239
  625   1HD1  LEU  69          1HD1      LEU  69  23.410  -8.567   2.911
  626   2HD1  LEU  69          2HD1      LEU  69  22.790  -8.342   4.548
  627   3HD1  LEU  69          3HD1      LEU  69  22.067  -7.459   3.202
  628   1HD2  LEU  69          1HD2      LEU  69  23.084 -10.987   3.029
  629   2HD2  LEU  69          2HD2      LEU  69  21.504 -11.666   3.424
  630   3HD2  LEU  69          3HD2      LEU  69  22.461 -10.870   4.674
  631    H    SER  70           HN       SER  70  17.504  -8.577   3.503
  632    HA   SER  70           HA       SER  70  15.561  -7.803   4.347
  633   1HB   SER  70          2HB       SER  70  14.934 -10.257   4.408
  634   2HB   SER  70          1HB       SER  70  15.414 -10.257   6.104
  635    HG   SER  70           HG       SER  70  13.109  -9.848   5.574
  636    H    SER  71           HN       SER  71  14.738  -6.680   6.183
  637    HA   SER  71           HA       SER  71  15.048  -5.240   7.911
  638   1HB   SER  71          2HB       SER  71  16.421  -7.649   9.136
  639   2HB   SER  71          1HB       SER  71  15.803  -6.256  10.021
  640    HG   SER  71           HG       SER  71  14.327  -8.201   8.566
  641    H    GLN  72           HN       GLN  72  16.955  -5.005   5.877
  642    HA   GLN  72           HA       GLN  72  19.626  -5.092   6.744
  643   1HB   GLN  72          2HB       GLN  72  18.358  -3.438   4.562
  644   2HB   GLN  72          1HB       GLN  72  20.089  -3.627   4.795
  645   1HG   GLN  72          2HG       GLN  72  19.799  -6.076   4.463
  646   2HG   GLN  72          1HG       GLN  72  18.109  -5.769   4.058
  647   1HE2  GLN  72          1HE2      GLN  72  20.209  -6.904   2.407
  648   2HE2  GLN  72          2HE2      GLN  72  20.352  -5.885   1.014
  649    H    LYS  73           HN       LYS  73  20.402  -3.982   8.377
  650    HA   LYS  73           HA       LYS  73  19.500  -1.324   8.997
  651   1HB   LYS  73          2HB       LYS  73  21.236  -1.379  10.761
  652   2HB   LYS  73          1HB       LYS  73  20.157  -2.761  10.838
  653   1HG   LYS  73          2HG       LYS  73  22.809  -2.940   9.456
  654   2HG   LYS  73          1HG       LYS  73  22.661  -3.148  11.199
  655   1HD   LYS  73          2HD       LYS  73  21.120  -4.994  10.875
  656   2HD   LYS  73          1HD       LYS  73  21.170  -4.757   9.127
  657   1HE   LYS  73          2HE       LYS  73  23.547  -5.303   9.112
  658   2HE   LYS  73          1HE       LYS  73  23.526  -5.486  10.865
  659   1HZ   LYS  73          1HZ       LYS  73  21.997  -7.152   8.937
  660   2HZ   LYS  73          2HZ       LYS  73  21.978  -7.322  10.624
  661   3HZ   LYS  73          3HZ       LYS  73  23.406  -7.622   9.761
  662    H    LYS  74           HN       LYS  74  20.281   0.484   8.170
  663    HA   LYS  74           HA       LYS  74  22.871   0.392   6.781
  664   1HB   LYS  74          2HB       LYS  74  20.341   1.756   5.825
  665   2HB   LYS  74          1HB       LYS  74  21.909   1.860   5.037
  666   1HG   LYS  74          2HG       LYS  74  21.869  -0.457   4.476
  667   2HG   LYS  74          1HG       LYS  74  20.437  -0.726   5.470
  668   1HD   LYS  74          2HD       LYS  74  20.414   1.174   3.142
  669   2HD   LYS  74          1HD       LYS  74  20.125  -0.551   2.930
  670   1HE   LYS  74          2HE       LYS  74  18.000   0.508   3.108
  671   2HE   LYS  74          1HE       LYS  74  18.277  -0.362   4.612
  672   1HZ   LYS  74          1HZ       LYS  74  18.858   1.695   5.691
  673   2HZ   LYS  74          2HZ       LYS  74  17.343   1.863   4.954
  674   3HZ   LYS  74          3HZ       LYS  74  18.718   2.552   4.233
  Start of MODEL    6
    1    H    HIS  -9           H        HIS  -9  16.811  21.109 -14.651
    2    HA   HIS  -9           HA       HIS  -9  16.825  18.814 -15.414
    3   1HB   HIS  -9          2HB       HIS  -9  16.144  18.217 -12.520
    4   2HB   HIS  -9          1HB       HIS  -9  16.051  17.056 -13.837
    5    HD1  HIS  -9           1HD      HIS  -9  18.308  16.127 -14.764
    6    HD2  HIS  -9           2HD      HIS  -9  18.690  18.675 -11.495
    7    HE1  HIS  -9           1HE      HIS  -9  20.649  15.799 -13.913
    8    HE2  HIS  -9           2HE      HIS  -9  20.863  17.332 -11.929
    9    H    SER  -8           HN       SER  -8  14.675  17.488 -15.476
   10    HA   SER  -8           HA       SER  -8  12.373  19.018 -14.572
   11   1HB   SER  -8          2HB       SER  -8  12.956  19.868 -16.874
   12   2HB   SER  -8          1HB       SER  -8  12.637  18.246 -17.490
   13    HG   SER  -8           HG       SER  -8  10.629  18.836 -17.576
   14    H    SER  -7           HN       SER  -7  12.923  16.364 -16.912
   15    HA   SER  -7           HA       SER  -7  10.982  14.787 -15.384
   16   1HB   SER  -7          2HB       SER  -7  12.089  14.288 -18.158
   17   2HB   SER  -7          1HB       SER  -7  10.758  13.420 -17.391
   18    HG   SER  -7           HG       SER  -7  10.220  15.196 -18.907
   19    H    GLY  -6           HN       GLY  -6  14.292  15.107 -15.656
   20   1HA   GLY  -6          2HA       GLY  -6  14.943  12.327 -15.144
   21   2HA   GLY  -6          1HA       GLY  -6  16.042  13.702 -15.023
   22    H    HIS  -5           HN       HIS  -5  13.037  13.996 -13.504
   23    HA   HIS  -5           HA       HIS  -5  14.256  13.681 -10.853
   24   1HB   HIS  -5          2HB       HIS  -5  13.677  15.966 -11.195
   25   2HB   HIS  -5          1HB       HIS  -5  12.131  15.541 -11.927
   26    HD1  HIS  -5           1HD      HIS  -5  13.842  15.462  -8.527
   27    HD2  HIS  -5           2HD      HIS  -5  10.038  15.524 -10.202
   28    HE1  HIS  -5           1HE      HIS  -5  12.250  15.746  -6.595
   29    HE2  HIS  -5           2HE      HIS  -5   9.949  15.577  -7.623
   30    H    ILE  -4           HN       ILE  -4  13.405  12.177  -9.536
   31    HA   ILE  -4           HA       ILE  -4  10.924  10.870 -10.388
   32    HB   ILE  -4           HB       ILE  -4  12.771   9.335 -10.065
   33   1HG1  ILE  -4          2HG1      ILE  -4  11.774   7.826  -8.338
   34   2HG1  ILE  -4          1HG1      ILE  -4  10.695   9.140  -7.878
   35   1HG2  ILE  -4          1HG2      ILE  -4  12.930  10.359  -7.240
   36   2HG2  ILE  -4          2HG2      ILE  -4  14.120  10.619  -8.514
   37   3HG2  ILE  -4          3HG2      ILE  -4  13.835   8.993  -7.893
   38   1HD1  ILE  -4          1HD1      ILE  -4   9.578   7.569  -9.348
   39   2HD1  ILE  -4          2HD1      ILE  -4  10.816   7.818 -10.580
   40   3HD1  ILE  -4          3HD1      ILE  -4   9.743   9.142 -10.126
   41    H    GLU  -3           HN       GLU  -3   9.102  11.263  -9.364
   42    HA   GLU  -3           HA       GLU  -3   9.062  13.048  -7.113
   43   1HB   GLU  -3          2HB       GLU  -3   6.862  11.640  -8.635
   44   2HB   GLU  -3          1HB       GLU  -3   6.571  12.754  -7.305
   45   1HG   GLU  -3          2HG       GLU  -3   8.107  13.515  -9.769
   46   2HG   GLU  -3          1HG       GLU  -3   6.362  13.706  -9.623
   47    H    GLY  -2           HN       GLY  -2   8.910  12.529  -5.034
   48   1HA   GLY  -2          2HA       GLY  -2   9.083   9.839  -4.174
   49   2HA   GLY  -2          1HA       GLY  -2   8.798  11.229  -3.131
   50    H    ARG  -1           HN       ARG  -1   7.435   8.554  -4.718
   51    HA   ARG  -1           HA       ARG  -1   4.814   9.207  -3.555
   52   1HB   ARG  -1          2HB       ARG  -1   3.730   8.040  -5.378
   53   2HB   ARG  -1          1HB       ARG  -1   4.790   9.269  -6.054
   54   1HG   ARG  -1          2HG       ARG  -1   6.461   7.593  -6.575
   55   2HG   ARG  -1          1HG       ARG  -1   5.471   6.346  -5.813
   56   1HD   ARG  -1          2HD       ARG  -1   5.172   6.193  -8.180
   57   2HD   ARG  -1          1HD       ARG  -1   3.687   6.829  -7.476
   58    HE   ARG  -1           HE       ARG  -1   5.681   8.632  -8.679
   59   1HH1  ARG  -1          1HH1      ARG  -1   2.424   7.342  -8.494
   60   2HH1  ARG  -1          2HH1      ARG  -1   1.784   8.470  -9.653
   61   1HH2  ARG  -1          1HH2      ARG  -1   4.860  10.091 -10.212
   62   2HH2  ARG  -1          2HH2      ARG  -1   3.174  10.035 -10.652
   63    H    HIS   0           HN       HIS   0   3.565   7.160  -3.023
   64    HA   HIS   0           HA       HIS   0   5.425   4.960  -2.513
   65   1HB   HIS   0          2HB       HIS   0   4.248   4.431  -0.378
   66   2HB   HIS   0          1HB       HIS   0   5.169   5.922  -0.347
   67    HD1  HIS   0           1HD      HIS   0   3.943   7.231   1.374
   68    HD2  HIS   0           2HD      HIS   0   1.384   5.577  -1.437
   69    HE1  HIS   0           1HE      HIS   0   1.662   8.149   1.917
   70    HE2  HIS   0           2HE      HIS   0   0.102   6.980   0.311
   71    H    MET   1           HN       MET   1   4.889   3.340  -3.706
   72    HA   MET   1           HA       MET   1   2.048   2.751  -4.130
   73   1HB   MET   1          2HB       MET   1   3.435   2.859  -6.147
   74   2HB   MET   1          1HB       MET   1   4.505   1.634  -5.492
   75   1HG   MET   1          2HG       MET   1   2.619   0.035  -5.489
   76   2HG   MET   1          1HG       MET   1   1.622   1.269  -6.259
   77   1HE   MET   1          1HE       MET   1   2.285  -1.318  -9.152
   78   2HE   MET   1          2HE       MET   1   1.050  -0.452  -8.237
   79   3HE   MET   1          3HE       MET   1   2.048  -1.668  -7.439
   80    H    LEU   2           HN       LEU   2   1.292   1.605  -2.467
   81    HA   LEU   2           HA       LEU   2   3.082  -0.378  -1.253
   82   1HB   LEU   2          2HB       LEU   2   1.982   1.458   0.151
   83   2HB   LEU   2          1HB       LEU   2   0.471   0.614  -0.131
   84    HG   LEU   2           HG       LEU   2   1.761   0.160   2.077
   85   1HD1  LEU   2          1HD1      LEU   2   0.959  -2.132   2.154
   86   2HD1  LEU   2          2HD1      LEU   2   0.792  -2.147   0.397
   87   3HD1  LEU   2          3HD1      LEU   2  -0.223  -1.083   1.371
   88   1HD2  LEU   2          1HD2      LEU   2   3.358  -1.660   1.968
   89   2HD2  LEU   2          2HD2      LEU   2   3.930  -0.281   1.029
   90   3HD2  LEU   2          3HD2      LEU   2   3.242  -1.684   0.210
   91    H    VAL   3           HN       VAL   3   2.829  -2.371  -1.819
   92    HA   VAL   3           HA       VAL   3   0.433  -3.265  -3.126
   93    HB   VAL   3           HB       VAL   3   1.838  -5.454  -3.140
   94   1HG1  VAL   3          1HG1      VAL   3   2.624  -3.004  -4.704
   95   2HG1  VAL   3          2HG1      VAL   3   1.354  -4.152  -5.125
   96   3HG1  VAL   3          3HG1      VAL   3   3.043  -4.661  -5.141
   97   1HG2  VAL   3          1HG2      VAL   3   3.948  -3.397  -2.536
   98   2HG2  VAL   3          2HG2      VAL   3   4.256  -5.049  -3.069
   99   3HG2  VAL   3          3HG2      VAL   3   3.493  -4.753  -1.507
  100    H    LEU   4           HN       LEU   4  -1.183  -4.156  -2.122
  101    HA   LEU   4           HA       LEU   4  -0.794  -5.316   0.562
  102   1HB   LEU   4          2HB       LEU   4  -2.462  -3.314  -0.120
  103   2HB   LEU   4          1HB       LEU   4  -3.498  -4.673  -0.484
  104    HG   LEU   4           HG       LEU   4  -3.829  -3.658   1.785
  105   1HD1  LEU   4          1HD1      LEU   4  -4.612  -5.900   1.341
  106   2HD1  LEU   4          2HD1      LEU   4  -3.945  -5.819   2.971
  107   3HD1  LEU   4          3HD1      LEU   4  -3.012  -6.561   1.672
  108   1HD2  LEU   4          1HD2      LEU   4  -1.458  -3.197   2.256
  109   2HD2  LEU   4          2HD2      LEU   4  -1.162  -4.932   2.387
  110   3HD2  LEU   4          3HD2      LEU   4  -2.232  -4.130   3.535
  111    H    SER   5           HN       SER   5  -1.471  -7.459   0.841
  112    HA   SER   5           HA       SER   5  -1.749  -8.804  -1.695
  113   1HB   SER   5          2HB       SER   5  -1.383 -10.887  -0.337
  114   2HB   SER   5          1HB       SER   5  -0.076  -9.710  -0.225
  115    HG   SER   5           HG       SER   5  -0.457  -9.495   1.833
  116    H    ARG   6           HN       ARG   6  -3.677  -9.033  -2.502
  117    HA   ARG   6           HA       ARG   6  -5.859 -10.035  -0.840
  118   1HB   ARG   6          2HB       ARG   6  -6.085  -7.562  -0.884
  119   2HB   ARG   6          1HB       ARG   6  -6.088  -7.606  -2.640
  120   1HG   ARG   6          2HG       ARG   6  -8.336  -7.380  -1.953
  121   2HG   ARG   6          1HG       ARG   6  -8.141  -9.044  -2.507
  122   1HD   ARG   6          2HD       ARG   6  -9.407  -9.112  -0.498
  123   2HD   ARG   6          1HD       ARG   6  -7.786  -9.698  -0.118
  124    HE   ARG   6           HE       ARG   6  -7.854  -6.951   0.386
  125   1HH1  ARG   6          1HH1      ARG   6  -9.232  -9.915   1.637
  126   2HH1  ARG   6          2HH1      ARG   6  -9.471  -9.275   3.234
  127   1HH2  ARG   6          1HH2      ARG   6  -8.149  -6.116   2.516
  128   2HH2  ARG   6          2HH2      ARG   6  -8.861  -7.134   3.734
  129    H    LYS   7           HN       LYS   7  -6.738 -11.722  -1.895
  130    HA   LYS   7           HA       LYS   7  -5.761 -12.101  -4.630
  131   1HB   LYS   7          2HB       LYS   7  -6.583 -14.191  -2.602
  132   2HB   LYS   7          1HB       LYS   7  -5.915 -14.514  -4.197
  133   1HG   LYS   7          2HG       LYS   7  -4.051 -14.759  -2.882
  134   2HG   LYS   7          1HG       LYS   7  -3.916 -13.061  -3.338
  135   1HD   LYS   7          2HD       LYS   7  -5.302 -12.684  -1.143
  136   2HD   LYS   7          1HD       LYS   7  -4.677 -14.272  -0.718
  137   1HE   LYS   7          2HE       LYS   7  -2.398 -13.461  -1.033
  138   2HE   LYS   7          1HE       LYS   7  -3.012 -11.858  -1.482
  139   1HZ   LYS   7          1HZ       LYS   7  -2.365 -11.863   0.826
  140   2HZ   LYS   7          2HZ       LYS   7  -3.315 -13.224   1.160
  141   3HZ   LYS   7          3HZ       LYS   7  -4.055 -11.753   0.751
  142    H    ILE   8           HN       ILE   8  -7.824 -10.567  -4.602
  143    HA   ILE   8           HA       ILE   8 -10.172 -12.223  -5.254
  144    HB   ILE   8           HB       ILE   8 -10.310  -9.489  -3.964
  145   1HG1  ILE   8          2HG1      ILE   8  -9.259 -11.153  -2.429
  146   2HG1  ILE   8          1HG1      ILE   8 -10.819 -10.566  -1.854
  147   1HG2  ILE   8          1HG2      ILE   8 -12.649 -10.090  -3.547
  148   2HG2  ILE   8          2HG2      ILE   8 -12.396 -11.630  -4.370
  149   3HG2  ILE   8          3HG2      ILE   8 -12.264 -10.118  -5.268
  150   1HD1  ILE   8          1HD1      ILE   8 -11.882 -12.613  -2.620
  151   2HD1  ILE   8          2HD1      ILE   8 -10.562 -12.958  -1.503
  152   3HD1  ILE   8          3HD1      ILE   8 -10.335 -13.191  -3.236
  153    H    ASN   9           HN       ASN   9  -8.075  -9.586  -5.898
  154    HA   ASN   9           HA       ASN   9  -7.805  -8.112  -7.589
  155   1HB   ASN   9          2HB       ASN   9  -8.384 -10.358  -8.866
  156   2HB   ASN   9          1HB       ASN   9  -9.855  -9.483  -9.274
  157   1HD2  ASN   9          1HD2      ASN   9  -7.339 -10.411 -10.699
  158   2HD2  ASN   9          2HD2      ASN   9  -6.862  -9.025 -11.633
  159    H    GLU  10           HN       GLU  10 -10.032  -8.032  -5.588
  160    HA   GLU  10           HA       GLU  10 -12.137  -6.533  -6.776
  161   1HB   GLU  10          2HB       GLU  10 -12.762  -5.994  -4.447
  162   2HB   GLU  10          1HB       GLU  10 -12.514  -7.716  -4.686
  163   1HG   GLU  10          2HG       GLU  10 -10.344  -7.591  -3.630
  164   2HG   GLU  10          1HG       GLU  10 -10.488  -5.841  -3.478
  165    H    ALA  11           HN       ALA  11 -12.561  -4.249  -5.945
  166    HA   ALA  11           HA       ALA  11 -10.085  -2.707  -6.362
  167   1HB   ALA  11          1HB       ALA  11 -11.515  -0.941  -7.263
  168   2HB   ALA  11          2HB       ALA  11 -12.944  -1.925  -6.955
  169   3HB   ALA  11          3HB       ALA  11 -11.751  -2.449  -8.143
  170    H    ILE  12           HN       ILE  12  -9.566  -1.079  -4.946
  171    HA   ILE  12           HA       ILE  12 -11.188  -1.112  -2.498
  172    HB   ILE  12           HB       ILE  12  -8.308  -0.241  -2.745
  173   1HG1  ILE  12          2HG1      ILE  12  -8.502  -2.609  -3.373
  174   2HG1  ILE  12          1HG1      ILE  12  -7.695  -2.429  -1.818
  175   1HG2  ILE  12          1HG2      ILE  12  -9.481   0.643  -0.809
  176   2HG2  ILE  12          2HG2      ILE  12  -8.281  -0.555  -0.319
  177   3HG2  ILE  12          3HG2      ILE  12  -9.991  -0.985  -0.358
  178   1HD1  ILE  12          1HD1      ILE  12  -9.727  -3.064  -0.663
  179   2HD1  ILE  12          2HD1      ILE  12  -9.280  -4.295  -1.847
  180   3HD1  ILE  12          3HD1      ILE  12 -10.589  -3.167  -2.198
  181    H    GLN  13           HN       GLN  13 -12.528   0.506  -2.494
  182    HA   GLN  13           HA       GLN  13 -11.522   3.221  -3.042
  183   1HB   GLN  13          2HB       GLN  13 -13.266   2.859  -4.596
  184   2HB   GLN  13          1HB       GLN  13 -14.239   1.972  -3.435
  185   1HG   GLN  13          2HG       GLN  13 -15.261   4.095  -3.840
  186   2HG   GLN  13          1HG       GLN  13 -14.624   4.075  -2.198
  187   1HE2  GLN  13          1HE2      GLN  13 -12.879   5.399  -1.681
  188   2HE2  GLN  13          2HE2      GLN  13 -12.371   6.692  -2.706
  189    H    ILE  14           HN       ILE  14 -10.858   3.864  -1.081
  190    HA   ILE  14           HA       ILE  14 -12.792   3.563   1.104
  191    HB   ILE  14           HB       ILE  14 -10.912   3.705   2.702
  192   1HG1  ILE  14          2HG1      ILE  14  -9.328   4.713   0.898
  193   2HG1  ILE  14          1HG1      ILE  14  -8.668   3.620   2.107
  194   1HG2  ILE  14          1HG2      ILE  14 -11.911   1.580   2.138
  195   2HG2  ILE  14          2HG2      ILE  14 -10.177   1.385   2.391
  196   3HG2  ILE  14          3HG2      ILE  14 -10.831   1.410   0.754
  197   1HD1  ILE  14          1HD1      ILE  14  -7.775   3.169  -0.106
  198   2HD1  ILE  14          2HD1      ILE  14  -9.404   2.881  -0.716
  199   3HD1  ILE  14          3HD1      ILE  14  -8.711   1.801   0.494
  200    H    GLY  15           HN       GLY  15 -13.763   5.316   1.569
  201   1HA   GLY  15          2HA       GLY  15 -14.050   7.433   2.412
  202   2HA   GLY  15          1HA       GLY  15 -12.314   7.688   2.281
  203    H    ALA  16           HN       ALA  16 -11.543   7.769  -0.005
  204    HA   ALA  16           HA       ALA  16 -12.795   8.643  -2.212
  205   1HB   ALA  16          1HB       ALA  16 -13.968  10.360  -0.873
  206   2HB   ALA  16          2HB       ALA  16 -12.916  11.083  -2.090
  207   3HB   ALA  16          3HB       ALA  16 -12.409  11.039  -0.401
  208    H    ASP  17           HN       ASP  17 -10.299   8.966   0.093
  209    HA   ASP  17           HA       ASP  17  -8.392  10.436  -1.348
  210   1HB   ASP  17          2HB       ASP  17  -8.366   9.963   1.153
  211   2HB   ASP  17          1HB       ASP  17  -7.812   8.342   0.755
  212    H    ILE  18           HN       ILE  18  -8.951   6.956  -0.944
  213    HA   ILE  18           HA       ILE  18  -7.152   6.528  -3.226
  214    HB   ILE  18           HB       ILE  18  -7.243   4.966  -0.652
  215   1HG1  ILE  18          2HG1      ILE  18  -5.805   6.947  -0.654
  216   2HG1  ILE  18          1HG1      ILE  18  -4.842   5.475  -0.589
  217   1HG2  ILE  18          1HG2      ILE  18  -7.205   3.391  -2.524
  218   2HG2  ILE  18          2HG2      ILE  18  -5.672   3.392  -1.654
  219   3HG2  ILE  18          3HG2      ILE  18  -5.805   4.224  -3.202
  220   1HD1  ILE  18          1HD1      ILE  18  -4.367   5.687  -2.976
  221   2HD1  ILE  18          2HD1      ILE  18  -3.841   7.107  -2.071
  222   3HD1  ILE  18          3HD1      ILE  18  -5.321   7.171  -3.031
  223    H    GLU  19           HN       GLU  19  -8.320   5.844  -4.835
  224    HA   GLU  19           HA       GLU  19  -9.884   3.382  -4.441
  225   1HB   GLU  19          2HB       GLU  19 -11.507   5.099  -4.901
  226   2HB   GLU  19          1HB       GLU  19 -10.545   5.726  -6.231
  227   1HG   GLU  19          2HG       GLU  19 -10.924   3.649  -7.473
  228   2HG   GLU  19          1HG       GLU  19 -11.909   3.047  -6.141
  229    H    VAL  20           HN       VAL  20  -8.791   1.749  -5.423
  230    HA   VAL  20           HA       VAL  20  -8.116   1.677  -8.112
  231    HB   VAL  20           HB       VAL  20  -6.456   3.429  -7.527
  232   1HG1  VAL  20          1HG1      VAL  20  -4.448   2.796  -6.237
  233   2HG1  VAL  20          2HG1      VAL  20  -5.234   1.276  -5.811
  234   3HG1  VAL  20          3HG1      VAL  20  -5.920   2.804  -5.265
  235   1HG2  VAL  20          1HG2      VAL  20  -5.267   0.797  -8.385
  236   2HG2  VAL  20          2HG2      VAL  20  -4.529   2.382  -8.625
  237   3HG2  VAL  20          3HG2      VAL  20  -6.049   1.982  -9.431
  238    H    LYS  21           HN       LYS  21  -7.443  -0.361  -8.729
  239    HA   LYS  21           HA       LYS  21  -6.191  -2.073  -6.725
  240   1HB   LYS  21          2HB       LYS  21  -7.383  -4.011  -7.988
  241   2HB   LYS  21          1HB       LYS  21  -8.239  -3.130  -6.737
  242   1HG   LYS  21          2HG       LYS  21  -9.839  -3.242  -8.353
  243   2HG   LYS  21          1HG       LYS  21  -9.095  -1.688  -8.744
  244   1HD   LYS  21          2HD       LYS  21  -7.717  -2.831 -10.453
  245   2HD   LYS  21          1HD       LYS  21  -8.542  -4.344 -10.077
  246   1HE   LYS  21          2HE       LYS  21  -9.484  -3.273 -12.063
  247   2HE   LYS  21          1HE       LYS  21 -10.665  -3.378 -10.758
  248   1HZ   LYS  21          1HZ       LYS  21 -10.656  -1.215 -11.907
  249   2HZ   LYS  21          2HZ       LYS  21  -9.068  -0.951 -11.373
  250   3HZ   LYS  21          3HZ       LYS  21 -10.329  -1.079 -10.249
  251    H    VAL  22           HN       VAL  22  -4.164  -1.875  -7.471
  252    HA   VAL  22           HA       VAL  22  -3.704  -2.543 -10.294
  253    HB   VAL  22           HB       VAL  22  -1.705  -1.599  -8.221
  254   1HG1  VAL  22          1HG1      VAL  22  -1.425  -1.956 -11.205
  255   2HG1  VAL  22          2HG1      VAL  22  -0.671  -2.951  -9.959
  256   3HG1  VAL  22          3HG1      VAL  22  -0.209  -1.257 -10.135
  257   1HG2  VAL  22          1HG2      VAL  22  -1.739   0.531  -9.454
  258   2HG2  VAL  22          2HG2      VAL  22  -3.302   0.154  -8.731
  259   3HG2  VAL  22          3HG2      VAL  22  -3.050  -0.087 -10.459
  260    H    ILE  23           HN       ILE  23  -3.644  -4.668 -10.619
  261    HA   ILE  23           HA       ILE  23  -2.723  -6.375  -8.431
  262    HB   ILE  23           HB       ILE  23  -4.362  -6.974 -10.886
  263   1HG1  ILE  23          2HG1      ILE  23  -5.553  -5.904  -9.008
  264   2HG1  ILE  23          1HG1      ILE  23  -6.091  -7.565  -9.249
  265   1HG2  ILE  23          1HG2      ILE  23  -2.848  -8.841 -10.515
  266   2HG2  ILE  23          2HG2      ILE  23  -4.508  -9.284 -10.114
  267   3HG2  ILE  23          3HG2      ILE  23  -3.356  -8.927  -8.827
  268   1HD1  ILE  23          1HD1      ILE  23  -4.732  -8.294  -7.373
  269   2HD1  ILE  23          2HD1      ILE  23  -5.866  -7.033  -6.894
  270   3HD1  ILE  23          3HD1      ILE  23  -4.164  -6.641  -7.136
  271    H    ALA  24           HN       ALA  24  -0.991  -7.585  -8.529
  272    HA   ALA  24           HA       ALA  24   0.368  -8.000 -11.086
  273   1HB   ALA  24          1HB       ALA  24   2.535  -7.421 -10.116
  274   2HB   ALA  24          2HB       ALA  24   1.750  -6.981  -8.599
  275   3HB   ALA  24          3HB       ALA  24   1.436  -6.044 -10.060
  276    H    VAL  25           HN       VAL  25   2.221  -9.634 -10.737
  277    HA   VAL  25           HA       VAL  25   1.130 -11.813  -9.164
  278    HB   VAL  25           HB       VAL  25   3.025 -13.115 -10.291
  279   1HG1  VAL  25          1HG1      VAL  25   0.711 -13.339 -10.960
  280   2HG1  VAL  25          2HG1      VAL  25   1.754 -13.342 -12.382
  281   3HG1  VAL  25          3HG1      VAL  25   0.842 -11.893 -11.963
  282   1HG2  VAL  25          1HG2      VAL  25   4.391 -11.217 -10.972
  283   2HG2  VAL  25          2HG2      VAL  25   3.085 -10.637 -12.006
  284   3HG2  VAL  25          3HG2      VAL  25   3.890 -12.163 -12.375
  285    H    GLU  26           HN       GLU  26   1.779 -12.128  -7.179
  286    HA   GLU  26           HA       GLU  26   4.298 -11.021  -6.230
  287   1HB   GLU  26          2HB       GLU  26   1.963 -11.058  -5.030
  288   2HB   GLU  26          1HB       GLU  26   2.422 -12.705  -4.602
  289   1HG   GLU  26          2HG       GLU  26   4.339 -11.929  -3.398
  290   2HG   GLU  26          1HG       GLU  26   4.107 -10.286  -3.990
  291    H    GLY  27           HN       GLY  27   4.383 -13.126  -8.160
  292   1HA   GLY  27          2HA       GLY  27   5.792 -14.997  -8.396
  293   2HA   GLY  27          1HA       GLY  27   5.746 -15.217  -6.652
  294    H    ASP  28           HN       ASP  28   3.527 -15.786  -5.765
  295    HA   ASP  28           HA       ASP  28   1.925 -17.315  -7.686
  296   1HB   ASP  28          2HB       ASP  28   2.798 -18.362  -4.980
  297   2HB   ASP  28          1HB       ASP  28   1.686 -19.170  -6.078
  298    H    GLN  29           HN       GLN  29   1.938 -14.838  -5.736
  299    HA   GLN  29           HA       GLN  29  -0.723 -15.364  -4.597
  300   1HB   GLN  29          2HB       GLN  29   1.076 -15.057  -2.919
  301   2HB   GLN  29          1HB       GLN  29   1.418 -13.477  -3.610
  302   1HG   GLN  29          2HG       GLN  29  -0.515 -12.541  -2.781
  303   2HG   GLN  29          1HG       GLN  29  -1.307 -14.104  -2.576
  304   1HE2  GLN  29          1HE2      GLN  29   1.021 -11.865  -1.285
  305   2HE2  GLN  29          2HE2      GLN  29   1.105 -12.573   0.303
  306    H    VAL  30           HN       VAL  30  -2.284 -13.718  -4.797
  307    HA   VAL  30           HA       VAL  30  -1.657 -11.779  -6.901
  308    HB   VAL  30           HB       VAL  30  -4.435 -12.432  -5.928
  309   1HG1  VAL  30          1HG1      VAL  30  -3.483 -11.380  -8.579
  310   2HG1  VAL  30          2HG1      VAL  30  -4.172 -10.411  -7.276
  311   3HG1  VAL  30          3HG1      VAL  30  -5.157 -11.631  -8.081
  312   1HG2  VAL  30          1HG2      VAL  30  -3.398 -14.541  -6.592
  313   2HG2  VAL  30          2HG2      VAL  30  -2.972 -13.841  -8.155
  314   3HG2  VAL  30          3HG2      VAL  30  -4.666 -14.061  -7.718
  315    H    LYS  31           HN       LYS  31  -1.447  -9.727  -6.378
  316    HA   LYS  31           HA       LYS  31  -2.694  -8.768  -3.915
  317   1HB   LYS  31          2HB       LYS  31  -0.643  -7.869  -3.107
  318   2HB   LYS  31          1HB       LYS  31  -0.348  -9.551  -3.549
  319   1HG   LYS  31          2HG       LYS  31   0.544  -8.735  -5.729
  320   2HG   LYS  31          1HG       LYS  31   0.378  -7.082  -5.134
  321   1HD   LYS  31          2HD       LYS  31   2.178  -9.270  -4.143
  322   2HD   LYS  31          1HD       LYS  31   2.624  -7.682  -4.771
  323   1HE   LYS  31          2HE       LYS  31   1.615  -6.619  -2.821
  324   2HE   LYS  31          1HE       LYS  31   1.138  -8.203  -2.203
  325   1HZ   LYS  31          1HZ       LYS  31   3.966  -7.522  -2.775
  326   2HZ   LYS  31          2HZ       LYS  31   3.361  -8.824  -1.863
  327   3HZ   LYS  31          3HZ       LYS  31   3.249  -7.242  -1.264
  328    H    LEU  32           HN       LEU  32  -3.095  -6.553  -3.839
  329    HA   LEU  32           HA       LEU  32  -2.923  -5.163  -6.421
  330   1HB   LEU  32          2HB       LEU  32  -4.577  -3.586  -5.411
  331   2HB   LEU  32          1HB       LEU  32  -5.187  -5.205  -5.673
  332    HG   LEU  32           HG       LEU  32  -4.384  -5.443  -3.111
  333   1HD1  LEU  32          1HD1      LEU  32  -3.592  -3.164  -2.923
  334   2HD1  LEU  32          2HD1      LEU  32  -4.995  -3.413  -1.882
  335   3HD1  LEU  32          3HD1      LEU  32  -5.173  -2.550  -3.411
  336   1HD2  LEU  32          1HD2      LEU  32  -7.007  -4.249  -4.017
  337   2HD2  LEU  32          2HD2      LEU  32  -6.717  -5.069  -2.481
  338   3HD2  LEU  32          3HD2      LEU  32  -6.604  -5.968  -3.993
  339    H    GLY  33           HN       GLY  33  -2.475  -2.791  -6.280
  340   1HA   GLY  33          2HA       GLY  33  -0.837  -2.111  -3.931
  341   2HA   GLY  33          1HA       GLY  33  -0.184  -1.897  -5.547
  342    H    ILE  34           HN       ILE  34  -1.396  -0.216  -3.088
  343    HA   ILE  34           HA       ILE  34  -2.821   1.677  -4.810
  344    HB   ILE  34           HB       ILE  34  -3.600   2.828  -2.878
  345   1HG1  ILE  34          2HG1      ILE  34  -2.280   0.989  -0.929
  346   2HG1  ILE  34          1HG1      ILE  34  -1.314   2.297  -1.628
  347   1HG2  ILE  34          1HG2      ILE  34  -3.782  -0.145  -2.447
  348   2HG2  ILE  34          2HG2      ILE  34  -4.839   0.843  -3.455
  349   3HG2  ILE  34          3HG2      ILE  34  -4.835   1.059  -1.706
  350   1HD1  ILE  34          1HD1      ILE  34  -2.308   2.938   0.497
  351   2HD1  ILE  34          2HD1      ILE  34  -3.918   2.613  -0.148
  352   3HD1  ILE  34          3HD1      ILE  34  -2.944   3.919  -0.824
  353    H    ASP  35           HN       ASP  35  -1.767   3.342  -5.650
  354    HA   ASP  35           HA       ASP  35   0.722   4.168  -4.332
  355   1HB   ASP  35          2HB       ASP  35   1.345   3.224  -6.416
  356   2HB   ASP  35          1HB       ASP  35   0.043   4.039  -7.263
  357    H    ALA  36           HN       ALA  36   0.930   6.176  -3.750
  358    HA   ALA  36           HA       ALA  36  -0.853   8.227  -4.832
  359   1HB   ALA  36          1HB       ALA  36  -1.296   9.086  -2.565
  360   2HB   ALA  36          2HB       ALA  36  -0.437   7.703  -1.885
  361   3HB   ALA  36          3HB       ALA  36  -1.932   7.456  -2.790
  362    HA   PRO  37           HA       PRO  37   2.859  10.535  -5.035
  363   1HB   PRO  37          2HB       PRO  37   1.982  13.083  -4.857
  364   2HB   PRO  37          1HB       PRO  37   1.644  12.054  -6.254
  365   1HG   PRO  37          2HG       PRO  37  -0.110  12.711  -3.915
  366   2HG   PRO  37          1HG       PRO  37  -0.520  12.650  -5.641
  367   1HD   PRO  37          2HD       PRO  37  -1.082  10.632  -3.914
  368   2HD   PRO  37          1HD       PRO  37  -0.737  10.363  -5.635
  369    H    LYS  38           HN       LYS  38   2.049   9.670  -2.291
  370    HA   LYS  38           HA       LYS  38   2.870   9.843  -0.193
  371   1HB   LYS  38          2HB       LYS  38   4.815  11.342  -1.815
  372   2HB   LYS  38          1HB       LYS  38   4.873  11.626  -0.080
  373   1HG   LYS  38          2HG       LYS  38   4.916   8.884  -1.300
  374   2HG   LYS  38          1HG       LYS  38   6.375   9.812  -0.932
  375   1HD   LYS  38          2HD       LYS  38   4.283   9.395   1.164
  376   2HD   LYS  38          1HD       LYS  38   5.446   8.113   0.807
  377   1HE   LYS  38          2HE       LYS  38   6.398   9.352   2.581
  378   2HE   LYS  38          1HE       LYS  38   7.267   9.837   1.119
  379   1HZ   LYS  38          1HZ       LYS  38   6.752  11.760   2.447
  380   2HZ   LYS  38          2HZ       LYS  38   5.103  11.373   2.473
  381   3HZ   LYS  38          3HZ       LYS  38   5.847  11.826   1.017
  382    H    HIS  39           HN       HIS  39   0.850  11.840  -1.285
  383    HA   HIS  39           HA       HIS  39   0.839  14.075   0.394
  384   1HB   HIS  39          2HB       HIS  39  -1.541  14.151   0.020
  385   2HB   HIS  39          1HB       HIS  39  -0.801  13.564  -1.469
  386    HD1  HIS  39           1HD      HIS  39  -0.408  10.624  -0.235
  387    HD2  HIS  39           2HD      HIS  39  -3.951  12.764  -0.396
  388    HE1  HIS  39           1HE      HIS  39  -2.207   8.932   0.016
  389    HE2  HIS  39           2HE      HIS  39  -4.358  10.251   0.052
  390    H    ILE  40           HN       ILE  40  -1.112  14.116   2.130
  391    HA   ILE  40           HA       ILE  40  -0.374  12.363   4.273
  392    HB   ILE  40           HB       ILE  40  -1.968  13.570   5.623
  393   1HG1  ILE  40          2HG1      ILE  40  -3.649  13.680   3.657
  394   2HG1  ILE  40          1HG1      ILE  40  -3.638  15.003   4.826
  395   1HG2  ILE  40          1HG2      ILE  40  -0.470  15.453   3.809
  396   2HG2  ILE  40          2HG2      ILE  40   0.161  14.665   5.253
  397   3HG2  ILE  40          3HG2      ILE  40  -1.126  15.863   5.393
  398   1HD1  ILE  40          1HD1      ILE  40  -2.517  14.988   2.035
  399   2HD1  ILE  40          2HD1      ILE  40  -2.201  16.271   3.199
  400   3HD1  ILE  40          3HD1      ILE  40  -3.850  15.949   2.664
  401    H    ASP  41           HN       ASP  41  -1.857  10.977   5.375
  402    HA   ASP  41           HA       ASP  41  -3.724   9.765   3.479
  403   1HB   ASP  41          2HB       ASP  41  -3.452   7.705   4.840
  404   2HB   ASP  41          1HB       ASP  41  -1.932   8.326   4.194
  405    H    ILE  42           HN       ILE  42  -5.692  10.437   3.721
  406    HA   ILE  42           HA       ILE  42  -6.666  11.515   6.212
  407    HB   ILE  42           HB       ILE  42  -8.125  11.111   3.593
  408   1HG1  ILE  42          2HG1      ILE  42  -6.125  12.525   3.345
  409   2HG1  ILE  42          1HG1      ILE  42  -7.606  13.449   3.121
  410   1HG2  ILE  42          1HG2      ILE  42  -9.638  12.864   4.434
  411   2HG2  ILE  42          2HG2      ILE  42  -8.778  12.842   5.972
  412   3HG2  ILE  42          3HG2      ILE  42  -9.657  11.412   5.435
  413   1HD1  ILE  42          1HD1      ILE  42  -6.001  14.714   4.411
  414   2HD1  ILE  42          2HD1      ILE  42  -5.885  13.410   5.590
  415   3HD1  ILE  42          3HD1      ILE  42  -7.393  14.308   5.413
  416    H    HIS  43           HN       HIS  43  -8.200  10.636   7.558
  417    HA   HIS  43           HA       HIS  43  -9.466   8.103   6.747
  418   1HB   HIS  43          2HB       HIS  43  -8.446   8.500   9.554
  419   2HB   HIS  43          1HB       HIS  43  -9.050   7.022   8.812
  420    HD1  HIS  43           1HD      HIS  43  -6.105   7.956  10.129
  421    HD2  HIS  43           2HD      HIS  43  -7.091   6.830   6.239
  422    HE1  HIS  43           1HE      HIS  43  -3.967   7.166   9.093
  423    HE2  HIS  43           2HE      HIS  43  -4.530   6.769   6.683
  424    H    ARG  44           HN       ARG  44 -11.344   7.581   8.244
  425    HA   ARG  44           HA       ARG  44 -12.834  10.010   8.785
  426   1HB   ARG  44          2HB       ARG  44 -13.674   7.211   9.524
  427   2HB   ARG  44          1HB       ARG  44 -14.699   8.611   9.264
  428   1HG   ARG  44          2HG       ARG  44 -14.241   8.547   6.888
  429   2HG   ARG  44          1HG       ARG  44 -13.121   7.199   7.123
  430   1HD   ARG  44          2HD       ARG  44 -15.095   5.994   8.203
  431   2HD   ARG  44          1HD       ARG  44 -16.101   7.247   7.480
  432    HE   ARG  44           HE       ARG  44 -15.189   6.498   5.291
  433   1HH1  ARG  44          1HH1      ARG  44 -15.045   4.359   8.061
  434   2HH1  ARG  44          2HH1      ARG  44 -15.167   2.903   7.112
  435   1HH2  ARG  44          1HH2      ARG  44 -15.335   4.572   4.026
  436   2HH2  ARG  44          2HH2      ARG  44 -15.341   3.028   4.820
  437    H    LYS  45           HN       LYS  45 -12.303   7.103  10.748
  438    HA   LYS  45           HA       LYS  45 -11.061   8.513  12.905
  439   1HB   LYS  45          2HB       LYS  45 -12.793   8.177  14.599
  440   2HB   LYS  45          1HB       LYS  45 -13.375   9.224  13.317
  441   1HG   LYS  45          2HG       LYS  45 -13.976   6.288  13.299
  442   2HG   LYS  45          1HG       LYS  45 -14.940   7.411  14.256
  443   1HD   LYS  45          2HD       LYS  45 -15.473   8.684  12.243
  444   2HD   LYS  45          1HD       LYS  45 -14.472   7.598  11.280
  445   1HE   LYS  45          2HE       LYS  45 -16.919   6.779  12.842
  446   2HE   LYS  45          1HE       LYS  45 -16.881   7.088  11.107
  447   1HZ   LYS  45          1HZ       LYS  45 -15.199   5.293  10.928
  448   2HZ   LYS  45          2HZ       LYS  45 -16.708   4.752  11.468
  449   3HZ   LYS  45          3HZ       LYS  45 -15.441   4.941  12.571
  450    H    GLU  46           HN       GLU  46 -11.285   5.947  11.112
  451    HA   GLU  46           HA       GLU  46 -10.654   4.007  13.242
  452   1HB   GLU  46          2HB       GLU  46 -11.994   2.328  12.153
  453   2HB   GLU  46          1HB       GLU  46 -13.005   3.743  12.400
  454   1HG   GLU  46          2HG       GLU  46 -11.641   3.042   9.804
  455   2HG   GLU  46          1HG       GLU  46 -13.318   2.670  10.190
  456    H    ILE  47           HN       ILE  47  -9.278   5.651  11.008
  457    HA   ILE  47           HA       ILE  47  -8.215   5.535   9.035
  458    HB   ILE  47           HB       ILE  47  -6.293   4.221   8.852
  459   1HG1  ILE  47          2HG1      ILE  47  -7.249   2.440  11.106
  460   2HG1  ILE  47          1HG1      ILE  47  -7.330   2.004   9.403
  461   1HG2  ILE  47          1HG2      ILE  47  -6.186   5.927  10.558
  462   2HG2  ILE  47          2HG2      ILE  47  -5.219   4.537  11.050
  463   3HG2  ILE  47          3HG2      ILE  47  -6.809   4.802  11.765
  464   1HD1  ILE  47          1HD1      ILE  47  -4.977   1.945   9.212
  465   2HD1  ILE  47          2HD1      ILE  47  -5.398   1.058  10.680
  466   3HD1  ILE  47          3HD1      ILE  47  -4.763   2.699  10.797
  467    H    TYR  48           HN       TYR  48  -9.267   5.234   7.270
  468    HA   TYR  48           HA       TYR  48 -10.591   2.716   6.811
  469   1HB   TYR  48          2HB       TYR  48 -11.828   3.859   5.081
  470   2HB   TYR  48          1HB       TYR  48 -11.813   4.806   6.558
  471    HD1  TYR  48           1HD      TYR  48  -9.063   4.756   4.060
  472    HD2  TYR  48           2HD      TYR  48 -12.366   6.874   5.690
  473    HE1  TYR  48           1HE      TYR  48  -8.458   6.723   2.713
  474    HE2  TYR  48           2HE      TYR  48 -11.758   8.854   4.376
  475    HH   TYR  48           HH       TYR  48  -9.646   9.778   3.297
  476    H    LEU  49           HN       LEU  49  -7.613   3.838   6.220
  477    HA   LEU  49           HA       LEU  49  -7.366   2.779   3.496
  478   1HB   LEU  49          2HB       LEU  49  -6.095   4.960   4.988
  479   2HB   LEU  49          1HB       LEU  49  -4.955   3.935   4.138
  480    HG   LEU  49           HG       LEU  49  -7.319   5.217   2.783
  481   1HD1  LEU  49          1HD1      LEU  49  -4.481   6.208   2.998
  482   2HD1  LEU  49          2HD1      LEU  49  -5.915   6.982   3.670
  483   3HD1  LEU  49          3HD1      LEU  49  -5.712   6.866   1.923
  484   1HD2  LEU  49          1HD2      LEU  49  -6.373   3.266   1.672
  485   2HD2  LEU  49          2HD2      LEU  49  -4.766   3.992   1.750
  486   3HD2  LEU  49          3HD2      LEU  49  -6.027   4.739   0.769
  487    H    THR  50           HN       THR  50  -5.018   3.117   6.085
  488    HA   THR  50           HA       THR  50  -3.808   1.626   7.276
  489    HB   THR  50           HB       THR  50  -5.635  -0.427   6.059
  490    HG1  THR  50           1HG      THR  50  -6.630  -0.295   8.167
  491   1HG2  THR  50          1HG2      THR  50  -4.916  -1.903   7.876
  492   2HG2  THR  50          2HG2      THR  50  -3.791  -0.665   8.437
  493   3HG2  THR  50          3HG2      THR  50  -3.544  -1.436   6.869
  494    H    ILE  51           HN       ILE  51  -4.391   0.966   3.906
  495    HA   ILE  51           HA       ILE  51  -2.208  -0.731   3.393
  496    HB   ILE  51           HB       ILE  51  -3.089   1.195   1.267
  497   1HG1  ILE  51          2HG1      ILE  51  -4.781  -1.098   2.304
  498   2HG1  ILE  51          1HG1      ILE  51  -5.143   0.612   2.541
  499   1HG2  ILE  51          1HG2      ILE  51  -2.585  -1.776   1.314
  500   2HG2  ILE  51          2HG2      ILE  51  -1.463  -0.537   0.748
  501   3HG2  ILE  51          3HG2      ILE  51  -2.978  -0.817  -0.113
  502   1HD1  ILE  51          1HD1      ILE  51  -5.398   0.889   0.134
  503   2HD1  ILE  51          2HD1      ILE  51  -6.479  -0.357   0.755
  504   3HD1  ILE  51          3HD1      ILE  51  -5.010  -0.814  -0.106
  505    H    GLN  52           HN       GLN  52  -2.453   2.743   2.538
  506    HA   GLN  52           HA       GLN  52   0.437   2.928   2.468
  507   1HB   GLN  52          2HB       GLN  52   0.120   5.241   1.803
  508   2HB   GLN  52          1HB       GLN  52  -0.911   4.190   0.837
  509   1HG   GLN  52          2HG       GLN  52  -2.843   4.834   2.089
  510   2HG   GLN  52          1HG       GLN  52  -1.854   5.728   3.243
  511   1HE2  GLN  52          1HE2      GLN  52  -2.898   7.675   2.861
  512   2HE2  GLN  52          2HE2      GLN  52  -2.757   8.536   1.376
  513    H    GLU  53           HN       GLU  53  -1.771   2.943   4.903
  514    HA   GLU  53           HA       GLU  53  -0.519   4.987   6.534
  515   1HB   GLU  53          2HB       GLU  53  -2.998   4.047   6.575
  516   2HB   GLU  53          1HB       GLU  53  -2.301   2.862   7.667
  517   1HG   GLU  53          2HG       GLU  53  -2.294   5.851   8.041
  518   2HG   GLU  53          1HG       GLU  53  -3.352   4.707   8.859
  519    H    GLU  54           HN       GLU  54  -0.765   1.460   6.423
  520    HA   GLU  54           HA       GLU  54   1.233   0.766   8.220
  521   1HB   GLU  54          2HB       GLU  54  -0.001  -0.450   5.797
  522   2HB   GLU  54          1HB       GLU  54   1.542  -1.130   6.331
  523   1HG   GLU  54          2HG       GLU  54  -0.903  -0.833   8.059
  524   2HG   GLU  54          1HG       GLU  54  -0.414  -2.317   7.237
  525    H    ASN  55           HN       ASN  55   1.430   1.612   4.792
  526    HA   ASN  55           HA       ASN  55   4.327   1.513   4.865
  527   1HB   ASN  55          2HB       ASN  55   3.054   0.743   2.866
  528   2HB   ASN  55          1HB       ASN  55   2.490   2.389   2.627
  529   1HD2  ASN  55          1HD2      ASN  55   5.171   0.214   2.371
  530   2HD2  ASN  55          2HD2      ASN  55   6.187   1.261   1.446
  531    H    ASN  56           HN       ASN  56   2.911   3.990   2.969
  532    HA   ASN  56           HA       ASN  56   3.212   6.234   2.875
  533   1HB   ASN  56          2HB       ASN  56   2.073   6.107   5.138
  534   2HB   ASN  56          1HB       ASN  56   3.682   6.165   5.856
  535   1HD2  ASN  56          1HD2      ASN  56   1.504   8.032   6.160
  536   2HD2  ASN  56          2HD2      ASN  56   2.081   9.569   5.598
  537    H    ARG  57           HN       ARG  57   5.405   4.875   5.259
  538    HA   ARG  57           HA       ARG  57   7.675   6.332   4.117
  539   1HB   ARG  57          2HB       ARG  57   8.740   5.388   6.320
  540   2HB   ARG  57          1HB       ARG  57   7.638   6.756   6.407
  541   1HG   ARG  57          2HG       ARG  57   5.798   5.169   6.917
  542   2HG   ARG  57          1HG       ARG  57   6.991   3.873   6.984
  543   1HD   ARG  57          2HD       ARG  57   7.061   6.342   8.703
  544   2HD   ARG  57          1HD       ARG  57   6.328   4.818   9.192
  545    HE   ARG  57           HE       ARG  57   8.808   4.037   8.560
  546   1HH1  ARG  57          1HH1      ARG  57   7.674   6.771  10.433
  547   2HH1  ARG  57          2HH1      ARG  57   9.008   6.728  11.548
  548   1HH2  ARG  57          1HH2      ARG  57  10.564   3.972  10.018
  549   2HH2  ARG  57          2HH2      ARG  57  10.661   5.135  11.310
  550    H    ALA  58           HN       ALA  58   7.280   3.170   5.717
  551    HA   ALA  58           HA       ALA  58   8.052   1.665   3.428
  552   1HB   ALA  58          1HB       ALA  58  10.086   1.914   5.644
  553   2HB   ALA  58          2HB       ALA  58  10.257   2.541   4.004
  554   3HB   ALA  58          3HB       ALA  58  10.181   0.800   4.281
  555    H    ALA  59           HN       ALA  59   6.288   0.410   3.883
  556    HA   ALA  59           HA       ALA  59   5.835  -0.728   6.489
  557   1HB   ALA  59          1HB       ALA  59   3.960  -0.137   5.038
  558   2HB   ALA  59          2HB       ALA  59   3.939  -1.851   5.455
  559   3HB   ALA  59          3HB       ALA  59   4.491  -1.337   3.860
  560    H    ALA  60           HN       ALA  60   5.604  -3.004   6.879
  561    HA   ALA  60           HA       ALA  60   7.288  -4.734   5.181
  562   1HB   ALA  60          1HB       ALA  60   8.349  -4.337   7.361
  563   2HB   ALA  60          2HB       ALA  60   7.860  -6.024   7.182
  564   3HB   ALA  60          3HB       ALA  60   6.898  -4.926   8.173
  565    H    LEU  61           HN       LEU  61   6.628  -7.151   5.621
  566    HA   LEU  61           HA       LEU  61   5.117  -8.760   5.172
  567   1HB   LEU  61          2HB       LEU  61   4.253  -8.235   7.356
  568   2HB   LEU  61          1HB       LEU  61   3.293  -6.926   6.704
  569    HG   LEU  61           HG       LEU  61   2.031  -8.650   5.360
  570   1HD1  LEU  61          1HD1      LEU  61   3.497 -10.549   7.182
  571   2HD1  LEU  61          2HD1      LEU  61   3.649 -10.446   5.427
  572   3HD1  LEU  61          3HD1      LEU  61   2.127 -10.967   6.150
  573   1HD2  LEU  61          1HD2      LEU  61   1.919  -8.869   8.363
  574   2HD2  LEU  61          2HD2      LEU  61   0.643  -9.349   7.244
  575   3HD2  LEU  61          3HD2      LEU  61   1.109  -7.654   7.375
  576    H    SER  62           HN       SER  62   3.956  -9.322   3.427
  577    HA   SER  62           HA       SER  62   3.024  -9.146   1.364
  578   1HB   SER  62          2HB       SER  62   1.641  -6.819   2.700
  579   2HB   SER  62          1HB       SER  62   1.181  -7.475   1.127
  580    HG   SER  62           HG       SER  62   1.295  -8.989   3.527
  581    H    SER  63           HN       SER  63   5.487  -7.629   2.120
  582    HA   SER  63           HA       SER  63   5.875  -6.318  -0.386
  583   1HB   SER  63          2HB       SER  63   5.951  -4.652   2.149
  584   2HB   SER  63          1HB       SER  63   6.617  -4.135   0.603
  585    HG   SER  63           HG       SER  63   3.948  -4.984   0.685
  586    H    ASP  64           HN       ASP  64   7.269  -5.993   2.847
  587    HA   ASP  64           HA       ASP  64   9.327  -6.414   3.708
  588   1HB   ASP  64          2HB       ASP  64   9.000  -8.846   1.960
  589   2HB   ASP  64          1HB       ASP  64  10.087  -8.723   3.341
  590    H    VAL  65           HN       VAL  65   9.441  -4.701   1.557
  591    HA   VAL  65           HA       VAL  65  11.108  -5.310  -0.568
  592    HB   VAL  65           HB       VAL  65  10.934  -2.663   0.874
  593   1HG1  VAL  65          1HG1      VAL  65  11.462  -1.692  -1.314
  594   2HG1  VAL  65          2HG1      VAL  65  11.595  -3.308  -2.004
  595   3HG1  VAL  65          3HG1      VAL  65  12.742  -2.780  -0.776
  596   1HG2  VAL  65          1HG2      VAL  65   8.706  -3.495   0.352
  597   2HG2  VAL  65          2HG2      VAL  65   9.181  -3.764  -1.324
  598   3HG2  VAL  65          3HG2      VAL  65   9.114  -2.123  -0.679
  599    H    ILE  66           HN       ILE  66  12.173  -3.187   2.041
  600    HA   ILE  66           HA       ILE  66  14.702  -4.656   2.235
  601    HB   ILE  66           HB       ILE  66  14.562  -1.636   2.078
  602   1HG1  ILE  66          2HG1      ILE  66  15.615  -3.563  -0.006
  603   2HG1  ILE  66          1HG1      ILE  66  14.062  -2.743  -0.115
  604   1HG2  ILE  66          1HG2      ILE  66  17.002  -1.787   1.957
  605   2HG2  ILE  66          2HG2      ILE  66  16.898  -3.541   2.120
  606   3HG2  ILE  66          3HG2      ILE  66  16.378  -2.500   3.444
  607   1HD1  ILE  66          1HD1      ILE  66  15.728  -1.635  -1.475
  608   2HD1  ILE  66          2HD1      ILE  66  16.768  -1.428  -0.064
  609   3HD1  ILE  66          3HD1      ILE  66  15.218  -0.585  -0.150
  610    H    SER  67           HN       SER  67  12.703  -2.039   3.513
  611    HA   SER  67           HA       SER  67  12.033  -1.478   5.587
  612   1HB   SER  67          2HB       SER  67  11.511  -3.814   5.973
  613   2HB   SER  67          1HB       SER  67  13.194  -4.164   6.350
  614    HG   SER  67           HG       SER  67  12.483  -3.840   8.322
  615    H    ALA  68           HN       ALA  68  15.004  -3.223   6.538
  616    HA   ALA  68           HA       ALA  68  15.978  -0.862   7.877
  617   1HB   ALA  68          1HB       ALA  68  16.385  -3.091   8.810
  618   2HB   ALA  68          2HB       ALA  68  17.896  -2.241   8.482
  619   3HB   ALA  68          3HB       ALA  68  17.341  -3.507   7.387
  620    H    LEU  69           HN       LEU  69  17.003   0.732   6.921
  621    HA   LEU  69           HA       LEU  69  18.236   1.960   5.464
  622   1HB   LEU  69          2HB       LEU  69  19.651  -0.642   4.849
  623   2HB   LEU  69          1HB       LEU  69  20.254   0.975   4.527
  624    HG   LEU  69           HG       LEU  69  19.730  -0.143   7.284
  625   1HD1  LEU  69          1HD1      LEU  69  22.142  -0.324   7.492
  626   2HD1  LEU  69          2HD1      LEU  69  22.352   0.256   5.840
  627   3HD1  LEU  69          3HD1      LEU  69  21.574  -1.298   6.136
  628   1HD2  LEU  69          1HD2      LEU  69  21.085   2.397   6.371
  629   2HD2  LEU  69          2HD2      LEU  69  21.006   1.821   8.035
  630   3HD2  LEU  69          3HD2      LEU  69  19.528   2.278   7.191
  631    H    SER  70           HN       SER  70  16.201   2.112   4.266
  632    HA   SER  70           HA       SER  70  15.629   0.243   2.173
  633   1HB   SER  70          2HB       SER  70  14.355   2.937   2.665
  634   2HB   SER  70          1HB       SER  70  13.663   1.569   1.797
  635    HG   SER  70           HG       SER  70  14.362   0.706   4.204
  636    H    SER  71           HN       SER  71  18.168   1.723   1.938
  637    HA   SER  71           HA       SER  71  17.925   2.372  -0.869
  638   1HB   SER  71          2HB       SER  71  19.079   4.396   1.074
  639   2HB   SER  71          1HB       SER  71  19.024   4.556  -0.683
  640    HG   SER  71           HG       SER  71  16.565   4.065   0.031
  641    H    GLN  72           HN       GLN  72  19.119   0.339   0.839
  642    HA   GLN  72           HA       GLN  72  21.830   0.864   1.347
  643   1HB   GLN  72          2HB       GLN  72  21.910  -1.760   1.399
  644   2HB   GLN  72          1HB       GLN  72  21.107  -0.847   2.662
  645   1HG   GLN  72          2HG       GLN  72  19.788  -2.760   2.038
  646   2HG   GLN  72          1HG       GLN  72  18.947  -1.277   1.600
  647   1HE2  GLN  72          1HE2      GLN  72  20.678  -4.055   0.411
  648   2HE2  GLN  72          2HE2      GLN  72  20.101  -3.956  -1.221
  649    H    LYS  73           HN       LYS  73  23.651   0.479   0.306
  650    HA   LYS  73           HA       LYS  73  23.531  -0.410  -2.460
  651   1HB   LYS  73          2HB       LYS  73  25.857   0.342  -2.604
  652   2HB   LYS  73          1HB       LYS  73  24.826   1.610  -1.968
  653   1HG   LYS  73          2HG       LYS  73  26.446  -0.165  -0.172
  654   2HG   LYS  73          1HG       LYS  73  27.100   1.308  -0.886
  655   1HD   LYS  73          2HD       LYS  73  25.316   2.613   0.160
  656   2HD   LYS  73          1HD       LYS  73  24.648   1.142   0.864
  657   1HE   LYS  73          2HE       LYS  73  26.692   0.819   2.151
  658   2HE   LYS  73          1HE       LYS  73  27.391   2.266   1.423
  659   1HZ   LYS  73          1HZ       LYS  73  25.084   2.101   3.278
  660   2HZ   LYS  73          2HZ       LYS  73  25.447   3.498   2.392
  661   3HZ   LYS  73          3HZ       LYS  73  26.560   2.898   3.523
  662    H    LYS  74           HN       LYS  74  24.216  -2.372  -3.100
  663    HA   LYS  74           HA       LYS  74  25.895  -3.988  -1.362
  664   1HB   LYS  74          2HB       LYS  74  23.400  -4.361  -0.803
  665   2HB   LYS  74          1HB       LYS  74  23.292  -5.136  -2.375
  666   1HG   LYS  74          2HG       LYS  74  25.173  -6.006  -0.190
  667   2HG   LYS  74          1HG       LYS  74  23.574  -6.694  -0.456
  668   1HD   LYS  74          2HD       LYS  74  25.673  -6.647  -2.611
  669   2HD   LYS  74          1HD       LYS  74  25.584  -7.946  -1.422
  670   1HE   LYS  74          2HE       LYS  74  24.437  -8.612  -3.436
  671   2HE   LYS  74          1HE       LYS  74  23.266  -8.399  -2.141
  672   1HZ   LYS  74          1HZ       LYS  74  23.833  -6.263  -4.116
  673   2HZ   LYS  74          2HZ       LYS  74  22.496  -6.412  -3.076
  674   3HZ   LYS  74          3HZ       LYS  74  22.667  -7.465  -4.394
  Start of MODEL    7
    1    H    HIS  -9           H        HIS  -9   9.665  14.672 -21.357
    2    HA   HIS  -9           HA       HIS  -9  12.044  15.095 -23.069
    3   1HB   HIS  -9          2HB       HIS  -9  11.343  16.119 -20.309
    4   2HB   HIS  -9          1HB       HIS  -9  12.969  16.165 -20.974
    5    HD1  HIS  -9           1HD      HIS  -9   9.871  18.047 -20.801
    6    HD2  HIS  -9           2HD      HIS  -9  13.159  17.875 -23.338
    7    HE1  HIS  -9           1HE      HIS  -9   9.810  20.181 -22.133
    8    HE2  HIS  -9           2HE      HIS  -9  11.961  20.164 -23.457
    9    H    SER  -8           HN       SER  -8  11.389  14.204 -19.691
   10    HA   SER  -8           HA       SER  -8  12.697  11.633 -20.158
   11   1HB   SER  -8          2HB       SER  -8  14.472  13.077 -19.332
   12   2HB   SER  -8          1HB       SER  -8  13.457  13.607 -17.991
   13    HG   SER  -8           HG       SER  -8  15.020  11.393 -18.209
   14    H    SER  -7           HN       SER  -7  11.226  10.197 -19.613
   15    HA   SER  -7           HA       SER  -7   9.419  10.712 -17.373
   16   1HB   SER  -7          2HB       SER  -7   9.515   8.341 -19.267
   17   2HB   SER  -7          1HB       SER  -7   8.227   8.713 -18.120
   18    HG   SER  -7           HG       SER  -7   9.027  10.389 -20.276
   19    H    GLY  -6           HN       GLY  -6  12.413   9.394 -17.986
   20   1HA   GLY  -6          2HA       GLY  -6  12.455   7.353 -15.978
   21   2HA   GLY  -6          1HA       GLY  -6  13.855   8.121 -16.714
   22    H    HIS  -5           HN       HIS  -5  11.911  10.528 -15.695
   23    HA   HIS  -5           HA       HIS  -5  13.467  11.239 -13.429
   24   1HB   HIS  -5          2HB       HIS  -5  12.320  12.881 -14.917
   25   2HB   HIS  -5          1HB       HIS  -5  10.771  12.309 -14.321
   26    HD1  HIS  -5           1HD      HIS  -5  13.172  14.902 -13.801
   27    HD2  HIS  -5           2HD      HIS  -5  10.616  12.727 -11.368
   28    HE1  HIS  -5           1HE      HIS  -5  12.950  16.246 -11.685
   29    HE2  HIS  -5           2HE      HIS  -5  11.188  15.036 -10.354
   30    H    ILE  -4           HN       ILE  -4  13.337  10.195 -11.567
   31    HA   ILE  -4           HA       ILE  -4  11.069   8.500 -11.040
   32    HB   ILE  -4           HB       ILE  -4  13.277   7.605 -10.635
   33   1HG1  ILE  -4          2HG1      ILE  -4  12.994   6.863  -8.252
   34   2HG1  ILE  -4          1HG1      ILE  -4  11.677   8.023  -8.104
   35   1HG2  ILE  -4          1HG2      ILE  -4  13.609   9.774  -8.575
   36   2HG2  ILE  -4          2HG2      ILE  -4  14.473   9.642 -10.105
   37   3HG2  ILE  -4          3HG2      ILE  -4  14.724   8.435  -8.844
   38   1HD1  ILE  -4          1HD1      ILE  -4  10.815   5.802  -8.513
   39   2HD1  ILE  -4          2HD1      ILE  -4  11.775   5.677  -9.985
   40   3HD1  ILE  -4          3HD1      ILE  -4  10.466   6.853  -9.885
   41    H    GLU  -3           HN       GLU  -3   9.326   9.188 -10.058
   42    HA   GLU  -3           HA       GLU  -3   9.372  11.447  -8.249
   43   1HB   GLU  -3          2HB       GLU  -3   7.142   9.623  -9.173
   44   2HB   GLU  -3          1HB       GLU  -3   6.911  10.960  -8.057
   45   1HG   GLU  -3          2HG       GLU  -3   7.958  11.230 -10.866
   46   2HG   GLU  -3          1HG       GLU  -3   6.283  11.495 -10.379
   47    H    GLY  -2           HN       GLY  -2   9.241  11.346  -6.052
   48   1HA   GLY  -2          2HA       GLY  -2   9.825   8.828  -4.793
   49   2HA   GLY  -2          1HA       GLY  -2   9.587  10.370  -3.981
   50    H    ARG  -1           HN       ARG  -1   7.712   7.963  -5.805
   51    HA   ARG  -1           HA       ARG  -1   5.331   8.615  -4.258
   52   1HB   ARG  -1          2HB       ARG  -1   4.109   7.332  -5.824
   53   2HB   ARG  -1          1HB       ARG  -1   5.330   8.164  -6.780
   54   1HG   ARG  -1          2HG       ARG  -1   6.686   6.158  -6.863
   55   2HG   ARG  -1          1HG       ARG  -1   5.546   5.322  -5.804
   56   1HD   ARG  -1          2HD       ARG  -1   5.173   4.652  -8.092
   57   2HD   ARG  -1          1HD       ARG  -1   3.799   5.594  -7.517
   58    HE   ARG  -1           HE       ARG  -1   5.918   6.817  -9.161
   59   1HH1  ARG  -1          1HH1      ARG  -1   2.560   6.057  -8.547
   60   2HH1  ARG  -1          2HH1      ARG  -1   1.973   7.036  -9.858
   61   1HH2  ARG  -1          1HH2      ARG  -1   5.162   8.107 -10.889
   62   2HH2  ARG  -1          2HH2      ARG  -1   3.444   8.212 -11.192
   63    H    HIS   0           HN       HIS   0   4.012   6.753  -3.407
   64    HA   HIS   0           HA       HIS   0   5.757   4.592  -2.478
   65   1HB   HIS   0          2HB       HIS   0   4.581   4.512  -0.330
   66   2HB   HIS   0          1HB       HIS   0   5.358   6.066  -0.578
   67    HD1  HIS   0           1HD      HIS   0   3.960   7.901   0.284
   68    HD2  HIS   0           2HD      HIS   0   1.638   4.806  -1.206
   69    HE1  HIS   0           1HE      HIS   0   1.579   8.610   0.650
   70    HE2  HIS   0           2HE      HIS   0   0.207   6.604  -0.025
   71    H    MET   1           HN       MET   1   5.143   2.720  -3.256
   72    HA   MET   1           HA       MET   1   2.255   2.266  -3.633
   73   1HB   MET   1          2HB       MET   1   3.455   2.231  -5.775
   74   2HB   MET   1          1HB       MET   1   4.554   1.013  -5.151
   75   1HG   MET   1          2HG       MET   1   2.670  -0.542  -4.903
   76   2HG   MET   1          1HG       MET   1   1.597   0.678  -5.589
   77   1HE   MET   1          1HE       MET   1   3.045   1.015  -9.236
   78   2HE   MET   1          2HE       MET   1   3.546   1.954  -7.828
   79   3HE   MET   1          3HE       MET   1   1.838   1.602  -8.091
   80    H    LEU   2           HN       LEU   2   1.547   1.125  -1.959
   81    HA   LEU   2           HA       LEU   2   3.315  -0.925  -0.847
   82   1HB   LEU   2          2HB       LEU   2   2.253   0.913   0.608
   83   2HB   LEU   2          1HB       LEU   2   0.760   0.026   0.400
   84    HG   LEU   2           HG       LEU   2   2.092  -0.372   2.550
   85   1HD1  LEU   2          1HD1      LEU   2   1.544  -2.754   2.619
   86   2HD1  LEU   2          2HD1      LEU   2   1.309  -2.746   0.872
   87   3HD1  LEU   2          3HD1      LEU   2   0.241  -1.802   1.908
   88   1HD2  LEU   2          1HD2      LEU   2   3.756  -2.046   0.677
   89   2HD2  LEU   2          2HD2      LEU   2   3.866  -2.027   2.438
   90   3HD2  LEU   2          3HD2      LEU   2   4.292  -0.588   1.513
   91    H    VAL   3           HN       VAL   3   2.597  -3.073  -0.663
   92    HA   VAL   3           HA       VAL   3   0.490  -3.677  -2.582
   93    HB   VAL   3           HB       VAL   3   1.676  -5.968  -2.507
   94   1HG1  VAL   3          1HG1      VAL   3   3.241  -5.243  -4.238
   95   2HG1  VAL   3          2HG1      VAL   3   3.030  -3.572  -3.722
   96   3HG1  VAL   3          3HG1      VAL   3   1.678  -4.453  -4.427
   97   1HG2  VAL   3          1HG2      VAL   3   4.060  -5.860  -1.983
   98   2HG2  VAL   3          2HG2      VAL   3   3.076  -5.524  -0.558
   99   3HG2  VAL   3          3HG2      VAL   3   3.857  -4.199  -1.422
  100    H    LEU   4           HN       LEU   4  -1.341  -4.512  -1.915
  101    HA   LEU   4           HA       LEU   4  -1.468  -5.892   0.689
  102   1HB   LEU   4          2HB       LEU   4  -3.117  -3.874  -0.468
  103   2HB   LEU   4          1HB       LEU   4  -4.055  -5.350  -0.429
  104    HG   LEU   4           HG       LEU   4  -2.945  -3.784   1.898
  105   1HD1  LEU   4          1HD1      LEU   4  -5.263  -3.950   2.660
  106   2HD1  LEU   4          2HD1      LEU   4  -5.677  -4.851   1.200
  107   3HD1  LEU   4          3HD1      LEU   4  -5.137  -3.177   1.080
  108   1HD2  LEU   4          1HD2      LEU   4  -3.701  -5.636   3.356
  109   2HD2  LEU   4          2HD2      LEU   4  -2.316  -6.074   2.362
  110   3HD2  LEU   4          3HD2      LEU   4  -3.927  -6.643   1.927
  111    H    SER   5           HN       SER   5  -2.207  -8.008   0.695
  112    HA   SER   5           HA       SER   5  -2.240  -9.237  -1.926
  113   1HB   SER   5          2HB       SER   5  -2.307 -10.535   0.806
  114   2HB   SER   5          1HB       SER   5  -1.994 -11.342  -0.733
  115    HG   SER   5           HG       SER   5   0.016 -10.755  -0.556
  116    H    ARG   6           HN       ARG   6  -4.119  -9.198  -2.942
  117    HA   ARG   6           HA       ARG   6  -6.531 -10.138  -1.577
  118   1HB   ARG   6          2HB       ARG   6  -6.501  -7.639  -1.459
  119   2HB   ARG   6          1HB       ARG   6  -6.396  -7.582  -3.208
  120   1HG   ARG   6          2HG       ARG   6  -8.636  -7.156  -2.708
  121   2HG   ARG   6          1HG       ARG   6  -8.598  -8.837  -3.239
  122   1HD   ARG   6          2HD       ARG   6  -8.712  -9.614  -0.962
  123   2HD   ARG   6          1HD       ARG   6  -8.563  -7.966  -0.349
  124    HE   ARG   6           HE       ARG   6 -10.795  -7.992  -2.004
  125   1HH1  ARG   6          1HH1      ARG   6  -9.794  -9.521   1.001
  126   2HH1  ARG   6          2HH1      ARG   6 -11.421  -9.699   1.583
  127   1HH2  ARG   6          1HH2      ARG   6 -12.897  -8.217  -1.234
  128   2HH2  ARG   6          2HH2      ARG   6 -13.186  -8.970   0.308
  129    H    LYS   7           HN       LYS   7  -7.351 -11.707  -2.804
  130    HA   LYS   7           HA       LYS   7  -6.228 -11.989  -5.492
  131   1HB   LYS   7          2HB       LYS   7  -7.407 -13.955  -3.539
  132   2HB   LYS   7          1HB       LYS   7  -7.115 -14.381  -5.219
  133   1HG   LYS   7          2HG       LYS   7  -5.110 -15.037  -4.514
  134   2HG   LYS   7          1HG       LYS   7  -4.703 -13.327  -4.470
  135   1HD   LYS   7          2HD       LYS   7  -5.933 -14.727  -2.114
  136   2HD   LYS   7          1HD       LYS   7  -4.192 -14.750  -2.399
  137   1HE   LYS   7          2HE       LYS   7  -4.060 -12.355  -2.248
  138   2HE   LYS   7          1HE       LYS   7  -5.826 -12.236  -2.212
  139   1HZ   LYS   7          1HZ       LYS   7  -4.897 -11.991   0.005
  140   2HZ   LYS   7          2HZ       LYS   7  -4.150 -13.507  -0.110
  141   3HZ   LYS   7          3HZ       LYS   7  -5.841 -13.397  -0.085
  142    H    ILE   8           HN       ILE   8  -8.487 -10.275  -4.800
  143    HA   ILE   8           HA       ILE   8 -10.690 -11.565  -6.236
  144    HB   ILE   8           HB       ILE   8 -10.818  -8.899  -4.825
  145   1HG1  ILE   8          2HG1      ILE   8 -10.019 -10.619  -3.221
  146   2HG1  ILE   8          1HG1      ILE   8 -11.626 -10.019  -2.822
  147   1HG2  ILE   8          1HG2      ILE   8 -12.631  -9.453  -6.376
  148   2HG2  ILE   8          2HG2      ILE   8 -13.203  -9.375  -4.710
  149   3HG2  ILE   8          3HG2      ILE   8 -12.942 -10.941  -5.480
  150   1HD1  ILE   8          1HD1      ILE   8 -12.617 -12.024  -3.781
  151   2HD1  ILE   8          2HD1      ILE   8 -11.457 -12.423  -2.512
  152   3HD1  ILE   8          3HD1      ILE   8 -11.011 -12.616  -4.207
  153    H    ASN   9           HN       ASN   9  -8.065  -9.561  -6.626
  154    HA   ASN   9           HA       ASN   9  -7.524  -7.724  -7.886
  155   1HB   ASN   9          2HB       ASN   9  -8.083  -8.260 -10.409
  156   2HB   ASN   9          1HB       ASN   9  -6.872  -9.179  -9.528
  157   1HD2  ASN   9          1HD2      ASN   9 -10.213  -9.201 -10.599
  158   2HD2  ASN   9          2HD2      ASN   9 -10.365 -10.918 -10.687
  159    H    GLU  10           HN       GLU  10  -9.626  -7.060  -6.559
  160    HA   GLU  10           HA       GLU  10 -11.551  -5.790  -8.349
  161   1HB   GLU  10          2HB       GLU  10 -12.710  -5.257  -6.189
  162   2HB   GLU  10          1HB       GLU  10 -12.500  -6.983  -6.465
  163   1HG   GLU  10          2HG       GLU  10 -10.585  -7.010  -4.969
  164   2HG   GLU  10          1HG       GLU  10 -10.732  -5.276  -4.722
  165    H    ALA  11           HN       ALA  11 -12.186  -3.534  -7.043
  166    HA   ALA  11           HA       ALA  11  -9.648  -2.069  -6.827
  167   1HB   ALA  11          1HB       ALA  11 -12.407  -0.963  -7.388
  168   2HB   ALA  11          2HB       ALA  11 -11.167  -1.271  -8.604
  169   3HB   ALA  11          3HB       ALA  11 -10.899  -0.050  -7.361
  170    H    ILE  12           HN       ILE  12  -9.281  -0.784  -4.999
  171    HA   ILE  12           HA       ILE  12 -11.067  -1.469  -2.767
  172    HB   ILE  12           HB       ILE  12  -8.197  -0.529  -2.639
  173   1HG1  ILE  12          2HG1      ILE  12  -8.328  -2.753  -3.626
  174   2HG1  ILE  12          1HG1      ILE  12  -7.681  -2.854  -1.992
  175   1HG2  ILE  12          1HG2      ILE  12  -8.295  -1.165  -0.293
  176   2HG2  ILE  12          2HG2      ILE  12  -9.988  -1.627  -0.478
  177   3HG2  ILE  12          3HG2      ILE  12  -9.508   0.062  -0.664
  178   1HD1  ILE  12          1HD1      ILE  12  -9.875  -3.566  -1.176
  179   2HD1  ILE  12          2HD1      ILE  12  -9.242  -4.652  -2.412
  180   3HD1  ILE  12          3HD1      ILE  12 -10.502  -3.490  -2.824
  181    H    GLN  13           HN       GLN  13 -12.467   0.043  -2.405
  182    HA   GLN  13           HA       GLN  13 -11.667   2.872  -2.535
  183   1HB   GLN  13          2HB       GLN  13 -13.512   2.400  -4.005
  184   2HB   GLN  13          1HB       GLN  13 -14.359   1.511  -2.750
  185   1HG   GLN  13          2HG       GLN  13 -15.443   3.601  -2.974
  186   2HG   GLN  13          1HG       GLN  13 -14.534   3.650  -1.467
  187   1HE2  GLN  13          1HE2      GLN  13 -12.672   4.949  -1.346
  188   2HE2  GLN  13          2HE2      GLN  13 -12.384   6.219  -2.483
  189    H    ILE  14           HN       ILE  14 -10.930   3.385  -0.567
  190    HA   ILE  14           HA       ILE  14 -12.686   2.736   1.697
  191    HB   ILE  14           HB       ILE  14 -10.675   3.256   3.158
  192   1HG1  ILE  14          2HG1      ILE  14  -9.378   4.217   1.115
  193   2HG1  ILE  14          1HG1      ILE  14  -8.505   3.263   2.307
  194   1HG2  ILE  14          1HG2      ILE  14  -9.812   0.973   2.953
  195   2HG2  ILE  14          2HG2      ILE  14 -10.627   0.815   1.395
  196   3HG2  ILE  14          3HG2      ILE  14 -11.573   1.028   2.869
  197   1HD1  ILE  14          1HD1      ILE  14  -9.505   2.289  -0.358
  198   2HD1  ILE  14          2HD1      ILE  14  -8.642   1.318   0.835
  199   3HD1  ILE  14          3HD1      ILE  14  -7.837   2.682   0.058
  200    H    GLY  15           HN       GLY  15 -13.888   4.302   2.313
  201   1HA   GLY  15          2HA       GLY  15 -14.445   6.363   3.193
  202   2HA   GLY  15          1HA       GLY  15 -12.801   6.910   2.893
  203    H    ALA  16           HN       ALA  16 -12.227   7.289   0.648
  204    HA   ALA  16           HA       ALA  16 -13.823   7.619  -1.526
  205   1HB   ALA  16          1HB       ALA  16 -15.276   9.085  -0.183
  206   2HB   ALA  16          2HB       ALA  16 -14.519   9.964  -1.512
  207   3HB   ALA  16          3HB       ALA  16 -13.904  10.148   0.130
  208    H    ASP  17           HN       ASP  17 -11.346   8.852   0.532
  209    HA   ASP  17           HA       ASP  17  -9.990  10.426  -1.412
  210   1HB   ASP  17          2HB       ASP  17  -9.056   9.332   1.255
  211   2HB   ASP  17          1HB       ASP  17  -8.166  10.496   0.271
  212    H    ILE  18           HN       ILE  18  -9.861   7.054  -0.440
  213    HA   ILE  18           HA       ILE  18  -7.688   6.720  -2.403
  214    HB   ILE  18           HB       ILE  18  -8.082   5.051   0.084
  215   1HG1  ILE  18          2HG1      ILE  18  -7.197   7.330   0.537
  216   2HG1  ILE  18          1HG1      ILE  18  -6.028   6.066   0.898
  217   1HG2  ILE  18          1HG2      ILE  18  -5.928   4.966  -2.027
  218   2HG2  ILE  18          2HG2      ILE  18  -7.202   3.770  -1.802
  219   3HG2  ILE  18          3HG2      ILE  18  -5.970   3.990  -0.557
  220   1HD1  ILE  18          1HD1      ILE  18  -6.065   7.803  -1.559
  221   2HD1  ILE  18          2HD1      ILE  18  -4.898   6.525  -1.223
  222   3HD1  ILE  18          3HD1      ILE  18  -4.968   7.951  -0.187
  223    H    GLU  19           HN       GLU  19  -8.696   6.005  -4.159
  224    HA   GLU  19           HA       GLU  19  -9.749   3.269  -3.933
  225   1HB   GLU  19          2HB       GLU  19 -11.684   4.701  -4.415
  226   2HB   GLU  19          1HB       GLU  19 -10.833   5.412  -5.781
  227   1HG   GLU  19          2HG       GLU  19 -10.770   3.206  -6.864
  228   2HG   GLU  19          1HG       GLU  19 -11.686   2.537  -5.515
  229    H    VAL  20           HN       VAL  20  -8.417   1.932  -5.016
  230    HA   VAL  20           HA       VAL  20  -7.438   2.491  -7.617
  231    HB   VAL  20           HB       VAL  20  -5.966   4.020  -6.357
  232   1HG1  VAL  20          1HG1      VAL  20  -4.999   1.520  -4.981
  233   2HG1  VAL  20          2HG1      VAL  20  -5.857   2.869  -4.239
  234   3HG1  VAL  20          3HG1      VAL  20  -4.228   3.102  -4.876
  235   1HG2  VAL  20          1HG2      VAL  20  -5.149   3.071  -8.421
  236   2HG2  VAL  20          2HG2      VAL  20  -4.557   1.646  -7.566
  237   3HG2  VAL  20          3HG2      VAL  20  -3.826   3.224  -7.267
  238    H    LYS  21           HN       LYS  21  -6.690   0.674  -8.610
  239    HA   LYS  21           HA       LYS  21  -5.826  -1.560  -6.933
  240   1HB   LYS  21          2HB       LYS  21  -6.852  -3.048  -8.811
  241   2HB   LYS  21          1HB       LYS  21  -7.846  -2.462  -7.493
  242   1HG   LYS  21          2HG       LYS  21  -9.164  -2.186  -9.396
  243   2HG   LYS  21          1HG       LYS  21  -8.539  -0.571  -9.056
  244   1HD   LYS  21          2HD       LYS  21  -6.900  -0.786 -10.804
  245   2HD   LYS  21          1HD       LYS  21  -7.326  -2.477 -11.056
  246   1HE   LYS  21          2HE       LYS  21  -9.282  -0.224 -11.427
  247   2HE   LYS  21          1HE       LYS  21  -8.251  -0.816 -12.730
  248   1HZ   LYS  21          1HZ       LYS  21 -10.348  -1.898 -12.886
  249   2HZ   LYS  21          2HZ       LYS  21 -10.329  -2.341 -11.252
  250   3HZ   LYS  21          3HZ       LYS  21  -9.232  -3.052 -12.337
  251    H    VAL  22           HN       VAL  22  -3.698  -1.408  -7.273
  252    HA   VAL  22           HA       VAL  22  -2.800  -1.641 -10.071
  253    HB   VAL  22           HB       VAL  22  -1.139  -1.123  -7.586
  254   1HG1  VAL  22          1HG1      VAL  22   0.106  -2.277  -9.346
  255   2HG1  VAL  22          2HG1      VAL  22   0.673  -0.618  -9.140
  256   3HG1  VAL  22          3HG1      VAL  22  -0.368  -1.032 -10.502
  257   1HG2  VAL  22          1HG2      VAL  22  -2.602   0.764  -8.120
  258   2HG2  VAL  22          2HG2      VAL  22  -1.981   0.781  -9.770
  259   3HG2  VAL  22          3HG2      VAL  22  -0.908   1.158  -8.420
  260    H    ILE  23           HN       ILE  23  -2.730  -3.735 -10.699
  261    HA   ILE  23           HA       ILE  23  -2.463  -5.754  -8.613
  262    HB   ILE  23           HB       ILE  23  -3.214  -6.027 -11.519
  263   1HG1  ILE  23          2HG1      ILE  23  -4.941  -6.515  -9.093
  264   2HG1  ILE  23          1HG1      ILE  23  -4.826  -4.916  -9.837
  265   1HG2  ILE  23          1HG2      ILE  23  -3.108  -8.113  -9.347
  266   2HG2  ILE  23          2HG2      ILE  23  -2.102  -8.042 -10.793
  267   3HG2  ILE  23          3HG2      ILE  23  -3.830  -8.343 -10.939
  268   1HD1  ILE  23          1HD1      ILE  23  -5.632  -5.881 -11.951
  269   2HD1  ILE  23          2HD1      ILE  23  -6.784  -6.082 -10.631
  270   3HD1  ILE  23          3HD1      ILE  23  -5.796  -7.445 -11.154
  271    H    ALA  24           HN       ALA  24  -0.736  -6.836  -8.238
  272    HA   ALA  24           HA       ALA  24   1.325  -7.137 -10.301
  273   1HB   ALA  24          1HB       ALA  24   3.080  -6.707  -8.645
  274   2HB   ALA  24          2HB       ALA  24   1.851  -6.346  -7.433
  275   3HB   ALA  24          3HB       ALA  24   2.032  -5.300  -8.842
  276    H    VAL  25           HN       VAL  25   2.915  -8.911  -9.622
  277    HA   VAL  25           HA       VAL  25   1.280 -11.093  -8.631
  278    HB   VAL  25           HB       VAL  25   3.152 -12.550  -9.413
  279   1HG1  VAL  25          1HG1      VAL  25   2.604 -12.332 -11.782
  280   2HG1  VAL  25          2HG1      VAL  25   1.925 -10.734 -11.477
  281   3HG1  VAL  25          3HG1      VAL  25   1.172 -12.164 -10.771
  282   1HG2  VAL  25          1HG2      VAL  25   4.210  -9.995 -10.609
  283   2HG2  VAL  25          2HG2      VAL  25   4.813 -11.620 -10.942
  284   3HG2  VAL  25          3HG2      VAL  25   4.974 -10.934  -9.325
  285    H    GLU  26           HN       GLU  26   1.455 -11.928  -6.731
  286    HA   GLU  26           HA       GLU  26   3.628 -11.240  -4.924
  287   1HB   GLU  26          2HB       GLU  26   1.232 -11.329  -4.198
  288   2HB   GLU  26          1HB       GLU  26   1.211 -13.039  -4.594
  289   1HG   GLU  26          2HG       GLU  26   1.411 -12.959  -2.289
  290   2HG   GLU  26          1HG       GLU  26   3.037 -13.323  -2.860
  291    H    GLY  27           HN       GLY  27   4.005 -12.782  -7.373
  292   1HA   GLY  27          2HA       GLY  27   5.216 -14.610  -8.088
  293   2HA   GLY  27          1HA       GLY  27   5.431 -15.071  -6.405
  294    H    ASP  28           HN       ASP  28   3.377 -15.866  -5.339
  295    HA   ASP  28           HA       ASP  28   2.117 -17.802  -7.157
  296   1HB   ASP  28          2HB       ASP  28   3.409 -18.865  -5.439
  297   2HB   ASP  28          1HB       ASP  28   2.691 -17.855  -4.192
  298    H    GLN  29           HN       GLN  29   1.511 -15.027  -5.415
  299    HA   GLN  29           HA       GLN  29  -1.358 -15.638  -5.131
  300   1HB   GLN  29          2HB       GLN  29  -0.081 -15.413  -2.999
  301   2HB   GLN  29          1HB       GLN  29   0.348 -13.779  -3.470
  302   1HG   GLN  29          2HG       GLN  29  -1.960 -13.100  -3.352
  303   2HG   GLN  29          1HG       GLN  29  -2.454 -14.755  -2.992
  304   1HE2  GLN  29          1HE2      GLN  29   0.432 -13.251  -1.679
  305   2HE2  GLN  29          2HE2      GLN  29  -0.117 -13.206  -0.044
  306    H    VAL  30           HN       VAL  30  -2.817 -13.798  -5.499
  307    HA   VAL  30           HA       VAL  30  -1.616 -11.764  -7.247
  308    HB   VAL  30           HB       VAL  30  -4.586 -12.231  -6.925
  309   1HG1  VAL  30          1HG1      VAL  30  -3.031 -10.986  -9.184
  310   2HG1  VAL  30          2HG1      VAL  30  -3.900 -10.107  -7.927
  311   3HG1  VAL  30          3HG1      VAL  30  -4.783 -11.126  -9.062
  312   1HG2  VAL  30          1HG2      VAL  30  -4.545 -13.597  -8.960
  313   2HG2  VAL  30          2HG2      VAL  30  -3.634 -14.347  -7.650
  314   3HG2  VAL  30          3HG2      VAL  30  -2.783 -13.534  -8.964
  315    H    LYS  31           HN       LYS  31  -1.375  -9.782  -6.497
  316    HA   LYS  31           HA       LYS  31  -3.070  -8.946  -4.277
  317   1HB   LYS  31          2HB       LYS  31  -1.225  -8.287  -2.924
  318   2HB   LYS  31          1HB       LYS  31  -0.957  -9.951  -3.438
  319   1HG   LYS  31          2HG       LYS  31   0.588  -9.127  -5.176
  320   2HG   LYS  31          1HG       LYS  31   0.329  -7.476  -4.612
  321   1HD   LYS  31          2HD       LYS  31   1.602  -9.756  -3.119
  322   2HD   LYS  31          1HD       LYS  31   2.363  -8.254  -3.651
  323   1HE   LYS  31          2HE       LYS  31   1.007  -6.981  -2.102
  324   2HE   LYS  31          1HE       LYS  31   0.135  -8.441  -1.628
  325   1HZ   LYS  31          1HZ       LYS  31   3.039  -7.956  -1.209
  326   2HZ   LYS  31          2HZ       LYS  31   2.199  -9.357  -0.769
  327   3HZ   LYS  31          3HZ       LYS  31   1.842  -7.883  -0.014
  328    H    LEU  32           HN       LEU  32  -3.303  -6.704  -4.015
  329    HA   LEU  32           HA       LEU  32  -2.672  -5.213  -6.467
  330   1HB   LEU  32          2HB       LEU  32  -4.599  -3.830  -6.016
  331   2HB   LEU  32          1HB       LEU  32  -5.065  -5.514  -5.991
  332    HG   LEU  32           HG       LEU  32  -4.635  -5.168  -3.366
  333   1HD1  LEU  32          1HD1      LEU  32  -5.549  -3.001  -2.678
  334   2HD1  LEU  32          2HD1      LEU  32  -5.575  -2.480  -4.364
  335   3HD1  LEU  32          3HD1      LEU  32  -4.038  -2.816  -3.571
  336   1HD2  LEU  32          1HD2      LEU  32  -7.078  -4.831  -3.181
  337   2HD2  LEU  32          2HD2      LEU  32  -6.638  -6.092  -4.331
  338   3HD2  LEU  32          3HD2      LEU  32  -7.136  -4.503  -4.912
  339    H    GLY  33           HN       GLY  33  -2.381  -2.821  -6.118
  340   1HA   GLY  33          2HA       GLY  33  -0.950  -2.369  -3.583
  341   2HA   GLY  33          1HA       GLY  33  -0.250  -1.929  -5.133
  342    H    ILE  34           HN       ILE  34  -1.343  -0.519  -2.588
  343    HA   ILE  34           HA       ILE  34  -2.998   1.475  -3.916
  344    HB   ILE  34           HB       ILE  34  -3.169   2.619  -1.774
  345   1HG1  ILE  34          2HG1      ILE  34  -0.859   1.981  -0.986
  346   2HG1  ILE  34          1HG1      ILE  34  -2.112   1.860   0.251
  347   1HG2  ILE  34          1HG2      ILE  34  -4.749   0.843  -2.275
  348   2HG2  ILE  34          2HG2      ILE  34  -4.429   0.937  -0.544
  349   3HG2  ILE  34          3HG2      ILE  34  -3.683  -0.337  -1.510
  350   1HD1  ILE  34          1HD1      ILE  34  -0.595   0.009   0.370
  351   2HD1  ILE  34          2HD1      ILE  34  -0.944  -0.412  -1.307
  352   3HD1  ILE  34          3HD1      ILE  34  -2.207  -0.540  -0.082
  353    H    ASP  35           HN       ASP  35  -1.910   2.819  -5.182
  354    HA   ASP  35           HA       ASP  35   0.599   3.888  -4.113
  355   1HB   ASP  35          2HB       ASP  35   1.284   2.576  -5.944
  356   2HB   ASP  35          1HB       ASP  35  -0.073   3.092  -6.931
  357    H    ALA  36           HN       ALA  36   0.857   5.983  -4.080
  358    HA   ALA  36           HA       ALA  36  -1.108   7.729  -5.353
  359   1HB   ALA  36          1HB       ALA  36  -1.958   7.251  -3.095
  360   2HB   ALA  36          2HB       ALA  36  -1.487   8.941  -3.277
  361   3HB   ALA  36          3HB       ALA  36  -0.435   7.824  -2.411
  362    HA   PRO  37           HA       PRO  37   2.448  10.236  -6.151
  363   1HB   PRO  37          2HB       PRO  37   1.436  12.756  -5.980
  364   2HB   PRO  37          1HB       PRO  37   1.104  11.671  -7.335
  365   1HG   PRO  37          2HG       PRO  37  -0.584  12.267  -4.932
  366   2HG   PRO  37          1HG       PRO  37  -1.064  12.137  -6.635
  367   1HD   PRO  37          2HD       PRO  37  -1.447  10.131  -4.880
  368   2HD   PRO  37          1HD       PRO  37  -1.061   9.827  -6.588
  369    H    LYS  38           HN       LYS  38   1.990   9.440  -3.345
  370    HA   LYS  38           HA       LYS  38   2.945   9.737  -1.323
  371   1HB   LYS  38          2HB       LYS  38   4.906  10.128  -2.824
  372   2HB   LYS  38          1HB       LYS  38   4.616  11.857  -2.664
  373   1HG   LYS  38          2HG       LYS  38   6.313  11.373  -1.141
  374   2HG   LYS  38          1HG       LYS  38   4.852  11.486  -0.160
  375   1HD   LYS  38          2HD       LYS  38   4.727   9.170   0.150
  376   2HD   LYS  38          1HD       LYS  38   5.809   8.841  -1.215
  377   1HE   LYS  38          2HE       LYS  38   7.548  10.196   0.148
  378   2HE   LYS  38          1HE       LYS  38   6.484   9.881   1.515
  379   1HZ   LYS  38          1HZ       LYS  38   6.735   7.489   1.064
  380   2HZ   LYS  38          2HZ       LYS  38   8.210   8.240   1.423
  381   3HZ   LYS  38          3HZ       LYS  38   7.837   7.844  -0.182
  382    H    HIS  39           HN       HIS  39   0.617  11.295  -2.101
  383    HA   HIS  39           HA       HIS  39   0.573  13.777  -0.768
  384   1HB   HIS  39          2HB       HIS  39  -1.837  13.552  -0.798
  385   2HB   HIS  39          1HB       HIS  39  -1.222  12.869  -2.301
  386    HD1  HIS  39           1HD      HIS  39  -0.320  10.198  -0.661
  387    HD2  HIS  39           2HD      HIS  39  -4.123  11.834  -0.931
  388    HE1  HIS  39           1HE      HIS  39  -1.869   8.338  -0.133
  389    HE2  HIS  39           2HE      HIS  39  -4.179   9.273  -0.598
  390    H    ILE  40           HN       ILE  40  -1.486  13.498   1.089
  391    HA   ILE  40           HA       ILE  40  -0.153  12.214   3.343
  392    HB   ILE  40           HB       ILE  40  -1.644  13.529   4.766
  393   1HG1  ILE  40          2HG1      ILE  40  -3.427  13.528   2.818
  394   2HG1  ILE  40          1HG1      ILE  40  -3.400  14.826   4.012
  395   1HG2  ILE  40          1HG2      ILE  40  -0.726  15.737   4.334
  396   2HG2  ILE  40          2HG2      ILE  40  -0.303  15.256   2.689
  397   3HG2  ILE  40          3HG2      ILE  40   0.497  14.493   4.063
  398   1HD1  ILE  40          1HD1      ILE  40  -2.150  16.219   2.414
  399   2HD1  ILE  40          2HD1      ILE  40  -3.724  15.721   1.802
  400   3HD1  ILE  40          3HD1      ILE  40  -2.264  14.925   1.226
  401    H    ASP  41           HN       ASP  41  -1.443  10.928   4.804
  402    HA   ASP  41           HA       ASP  41  -3.442   9.424   3.309
  403   1HB   ASP  41          2HB       ASP  41  -3.166   7.694   5.057
  404   2HB   ASP  41          1HB       ASP  41  -1.630   8.179   4.328
  405    H    ILE  42           HN       ILE  42  -5.429  10.087   3.443
  406    HA   ILE  42           HA       ILE  42  -6.436  11.466   5.793
  407    HB   ILE  42           HB       ILE  42  -8.002  10.694   3.334
  408   1HG1  ILE  42          2HG1      ILE  42  -5.973  11.901   2.645
  409   2HG1  ILE  42          1HG1      ILE  42  -7.426  12.853   2.358
  410   1HG2  ILE  42          1HG2      ILE  42  -9.353  12.666   3.918
  411   2HG2  ILE  42          2HG2      ILE  42  -8.356  12.905   5.352
  412   3HG2  ILE  42          3HG2      ILE  42  -9.343  11.452   5.197
  413   1HD1  ILE  42          1HD1      ILE  42  -5.509  13.188   4.653
  414   2HD1  ILE  42          2HD1      ILE  42  -6.966  14.145   4.379
  415   3HD1  ILE  42          3HD1      ILE  42  -5.630  14.225   3.231
  416    H    HIS  43           HN       HIS  43  -8.049  10.659   7.146
  417    HA   HIS  43           HA       HIS  43  -9.100   7.991   6.530
  418   1HB   HIS  43          2HB       HIS  43  -8.213   8.776   9.314
  419   2HB   HIS  43          1HB       HIS  43  -8.864   7.219   8.799
  420    HD1  HIS  43           1HD      HIS  43  -5.895   8.212  10.004
  421    HD2  HIS  43           2HD      HIS  43  -6.880   6.623   6.283
  422    HE1  HIS  43           1HE      HIS  43  -3.783   7.166   9.142
  423    HE2  HIS  43           2HE      HIS  43  -4.336   6.492   6.788
  424    H    ARG  44           HN       ARG  44 -11.035   7.502   7.933
  425    HA   ARG  44           HA       ARG  44 -12.522   9.904   8.684
  426   1HB   ARG  44          2HB       ARG  44 -13.527   7.903   6.643
  427   2HB   ARG  44          1HB       ARG  44 -14.456   9.240   7.306
  428   1HG   ARG  44          2HG       ARG  44 -12.977  10.838   6.264
  429   2HG   ARG  44          1HG       ARG  44 -11.935   9.538   5.687
  430   1HD   ARG  44          2HD       ARG  44 -13.829   8.662   4.364
  431   2HD   ARG  44          1HD       ARG  44 -14.797  10.042   4.884
  432    HE   ARG  44           HE       ARG  44 -12.267  10.579   3.512
  433   1HH1  ARG  44          1HH1      ARG  44 -15.770  10.421   3.351
  434   2HH1  ARG  44          2HH1      ARG  44 -15.863  11.450   1.947
  435   1HH2  ARG  44          1HH2      ARG  44 -12.388  11.895   1.681
  436   2HH2  ARG  44          2HH2      ARG  44 -13.947  12.308   1.016
  437    H    LYS  45           HN       LYS  45 -12.746   9.312  10.762
  438    HA   LYS  45           HA       LYS  45 -13.376   8.197  12.625
  439   1HB   LYS  45          2HB       LYS  45 -15.583   8.175  11.412
  440   2HB   LYS  45          1HB       LYS  45 -15.176   6.569  10.825
  441   1HG   LYS  45          2HG       LYS  45 -15.175   5.689  13.048
  442   2HG   LYS  45          1HG       LYS  45 -15.368   7.303  13.736
  443   1HD   LYS  45          2HD       LYS  45 -17.549   7.472  12.544
  444   2HD   LYS  45          1HD       LYS  45 -17.357   5.790  12.043
  445   1HE   LYS  45          2HE       LYS  45 -18.792   6.027  14.030
  446   2HE   LYS  45          1HE       LYS  45 -17.346   5.072  14.350
  447   1HZ   LYS  45          1HZ       LYS  45 -17.589   7.958  14.989
  448   2HZ   LYS  45          2HZ       LYS  45 -16.341   6.910  15.451
  449   3HZ   LYS  45          3HZ       LYS  45 -17.892   6.718  16.102
  450    H    GLU  46           HN       GLU  46 -11.558   7.212  13.225
  451    HA   GLU  46           HA       GLU  46  -9.923   5.667  13.493
  452   1HB   GLU  46          2HB       GLU  46 -11.989   3.851  12.256
  453   2HB   GLU  46          1HB       GLU  46 -10.390   3.279  12.709
  454   1HG   GLU  46          2HG       GLU  46 -12.371   4.546  14.587
  455   2HG   GLU  46          1HG       GLU  46 -12.096   2.813  14.415
  456    H    ILE  47           HN       ILE  47  -8.592   3.956  11.992
  457    HA   ILE  47           HA       ILE  47  -8.087   5.548   9.602
  458    HB   ILE  47           HB       ILE  47  -5.971   4.432   9.369
  459   1HG1  ILE  47          2HG1      ILE  47  -6.675   2.830  11.844
  460   2HG1  ILE  47          1HG1      ILE  47  -6.715   2.186  10.206
  461   1HG2  ILE  47          1HG2      ILE  47  -6.074   6.338  10.870
  462   2HG2  ILE  47          2HG2      ILE  47  -4.897   5.164  11.463
  463   3HG2  ILE  47          3HG2      ILE  47  -6.486   5.282  12.221
  464   1HD1  ILE  47          1HD1      ILE  47  -4.379   2.347   9.978
  465   2HD1  ILE  47          2HD1      ILE  47  -4.670   1.654  11.576
  466   3HD1  ILE  47          3HD1      ILE  47  -4.232   3.358  11.421
  467    H    TYR  48           HN       TYR  48  -8.902   5.002   7.757
  468    HA   TYR  48           HA       TYR  48 -10.076   2.377   7.467
  469   1HB   TYR  48          2HB       TYR  48 -11.350   3.307   5.633
  470   2HB   TYR  48          1HB       TYR  48 -11.418   4.377   7.023
  471    HD1  TYR  48           1HD      TYR  48  -8.581   4.310   4.640
  472    HD2  TYR  48           2HD      TYR  48 -12.113   6.289   5.912
  473    HE1  TYR  48           1HE      TYR  48  -8.031   6.208   3.190
  474    HE2  TYR  48           2HE      TYR  48 -11.569   8.199   4.475
  475    HH   TYR  48           HH       TYR  48  -9.081   8.077   2.126
  476    H    LEU  49           HN       LEU  49  -7.155   3.650   6.824
  477    HA   LEU  49           HA       LEU  49  -6.815   2.339   4.225
  478   1HB   LEU  49          2HB       LEU  49  -5.518   4.648   5.564
  479   2HB   LEU  49          1HB       LEU  49  -4.489   3.634   4.574
  480    HG   LEU  49           HG       LEU  49  -7.024   4.904   3.552
  481   1HD1  LEU  49          1HD1      LEU  49  -5.580   6.560   2.491
  482   2HD1  LEU  49          2HD1      LEU  49  -4.180   5.872   3.312
  483   3HD1  LEU  49          3HD1      LEU  49  -5.463   6.641   4.248
  484   1HD2  LEU  49          1HD2      LEU  49  -5.987   4.428   1.368
  485   2HD2  LEU  49          2HD2      LEU  49  -6.307   2.966   2.299
  486   3HD2  LEU  49          3HD2      LEU  49  -4.665   3.605   2.196
  487    H    THR  50           HN       THR  50  -4.456   3.071   6.714
  488    HA   THR  50           HA       THR  50  -3.119   1.799   8.004
  489    HB   THR  50           HB       THR  50  -4.918  -0.448   7.147
  490    HG1  THR  50           1HG      THR  50  -5.396  -0.013   9.589
  491   1HG2  THR  50          1HG2      THR  50  -4.007  -1.697   9.058
  492   2HG2  THR  50          2HG2      THR  50  -2.864  -0.388   9.358
  493   3HG2  THR  50          3HG2      THR  50  -2.754  -1.331   7.871
  494    H    ILE  51           HN       ILE  51  -3.857   0.540   4.840
  495    HA   ILE  51           HA       ILE  51  -1.588  -1.060   4.455
  496    HB   ILE  51           HB       ILE  51  -2.507   0.380   2.047
  497   1HG1  ILE  51          2HG1      ILE  51  -4.395  -1.497   3.497
  498   2HG1  ILE  51          1HG1      ILE  51  -4.568   0.248   3.475
  499   1HG2  ILE  51          1HG2      ILE  51  -2.595  -1.928   1.204
  500   2HG2  ILE  51          2HG2      ILE  51  -2.292  -2.534   2.832
  501   3HG2  ILE  51          3HG2      ILE  51  -1.057  -1.591   1.997
  502   1HD1  ILE  51          1HD1      ILE  51  -4.825   0.199   1.052
  503   2HD1  ILE  51          2HD1      ILE  51  -6.037  -0.795   1.859
  504   3HD1  ILE  51          3HD1      ILE  51  -4.651  -1.556   1.078
  505    H    GLN  52           HN       GLN  52  -2.159   2.217   3.156
  506    HA   GLN  52           HA       GLN  52   0.679   2.538   2.698
  507   1HB   GLN  52          2HB       GLN  52   0.164   4.603   1.617
  508   2HB   GLN  52          1HB       GLN  52  -1.039   3.432   1.099
  509   1HG   GLN  52          2HG       GLN  52  -2.736   4.454   2.279
  510   2HG   GLN  52          1HG       GLN  52  -1.624   5.239   3.400
  511   1HE2  GLN  52          1HE2      GLN  52  -2.460   7.268   3.085
  512   2HE2  GLN  52          2HE2      GLN  52  -2.253   8.150   1.620
  513    H    GLU  53           HN       GLU  53  -1.197   2.831   5.398
  514    HA   GLU  53           HA       GLU  53   0.281   5.101   6.470
  515   1HB   GLU  53          2HB       GLU  53  -2.210   4.228   7.007
  516   2HB   GLU  53          1HB       GLU  53  -1.333   3.407   8.291
  517   1HG   GLU  53          2HG       GLU  53  -1.377   6.373   7.760
  518   2HG   GLU  53          1HG       GLU  53  -2.241   5.535   9.043
  519    H    GLU  54           HN       GLU  54   0.030   1.592   6.792
  520    HA   GLU  54           HA       GLU  54   2.232   1.035   8.372
  521   1HB   GLU  54          2HB       GLU  54   1.077  -0.288   5.917
  522   2HB   GLU  54          1HB       GLU  54   2.532  -0.930   6.682
  523   1HG   GLU  54          2HG       GLU  54  -0.136  -0.564   8.027
  524   2HG   GLU  54          1HG       GLU  54   0.469  -2.080   7.367
  525    H    ASN  55           HN       ASN  55   2.042   1.763   4.925
  526    HA   ASN  55           HA       ASN  55   4.938   1.933   4.697
  527   1HB   ASN  55          2HB       ASN  55   3.555   0.784   2.961
  528   2HB   ASN  55          1HB       ASN  55   2.811   2.330   2.583
  529   1HD2  ASN  55          1HD2      ASN  55   5.646   0.362   2.292
  530   2HD2  ASN  55          2HD2      ASN  55   6.452   1.362   1.133
  531    H    ASN  56           HN       ASN  56   3.108   4.003   2.668
  532    HA   ASN  56           HA       ASN  56   3.176   6.216   2.234
  533   1HB   ASN  56          2HB       ASN  56   2.020   6.379   4.460
  534   2HB   ASN  56          1HB       ASN  56   3.598   6.649   5.196
  535   1HD2  ASN  56          1HD2      ASN  56   2.774   8.688   5.911
  536   2HD2  ASN  56          2HD2      ASN  56   2.721  10.034   4.818
  537    H    ARG  57           HN       ARG  57   5.380   6.034   4.954
  538    HA   ARG  57           HA       ARG  57   7.418   7.587   3.741
  539   1HB   ARG  57          2HB       ARG  57   8.630   6.125   5.776
  540   2HB   ARG  57          1HB       ARG  57   7.890   7.715   5.938
  541   1HG   ARG  57          2HG       ARG  57   5.808   6.744   6.611
  542   2HG   ARG  57          1HG       ARG  57   6.412   5.118   6.288
  543   1HD   ARG  57          2HD       ARG  57   8.010   5.327   8.094
  544   2HD   ARG  57          1HD       ARG  57   7.504   6.996   8.379
  545    HE   ARG  57           HE       ARG  57   5.207   5.906   8.784
  546   1HH1  ARG  57          1HH1      ARG  57   8.287   4.448   9.625
  547   2HH1  ARG  57          2HH1      ARG  57   7.617   3.494  10.919
  548   1HH2  ARG  57          1HH2      ARG  57   4.340   4.646  10.462
  549   2HH2  ARG  57          2HH2      ARG  57   5.371   3.594  11.376
  550    H    ALA  58           HN       ALA  58   7.643   4.201   4.842
  551    HA   ALA  58           HA       ALA  58   8.439   3.057   2.434
  552   1HB   ALA  58          1HB       ALA  58  10.815   3.821   4.128
  553   2HB   ALA  58          2HB       ALA  58  10.375   4.575   2.597
  554   3HB   ALA  58          3HB       ALA  58  10.843   2.878   2.638
  555    H    ALA  59           HN       ALA  59   6.954   1.623   3.654
  556    HA   ALA  59           HA       ALA  59   8.400  -0.091   5.556
  557   1HB   ALA  59          1HB       ALA  59   6.170   0.609   6.265
  558   2HB   ALA  59          2HB       ALA  59   6.233  -1.135   6.004
  559   3HB   ALA  59          3HB       ALA  59   5.478  -0.088   4.800
  560    H    ALA  60           HN       ALA  60   9.401  -1.814   4.749
  561    HA   ALA  60           HA       ALA  60   8.284  -3.777   3.152
  562   1HB   ALA  60          1HB       ALA  60  10.046  -1.969   1.495
  563   2HB   ALA  60          2HB       ALA  60   8.289  -2.049   1.374
  564   3HB   ALA  60          3HB       ALA  60   9.262  -3.463   0.972
  565    H    LEU  61           HN       LEU  61   9.409  -5.078   4.597
  566    HA   LEU  61           HA       LEU  61  12.305  -5.060   4.598
  567   1HB   LEU  61          2HB       LEU  61  10.743  -5.754   6.536
  568   2HB   LEU  61          1HB       LEU  61  10.529  -7.255   5.660
  569    HG   LEU  61           HG       LEU  61  12.201  -7.341   7.521
  570   1HD1  LEU  61          1HD1      LEU  61  13.912  -8.571   6.271
  571   2HD1  LEU  61          2HD1      LEU  61  13.253  -7.934   4.763
  572   3HD1  LEU  61          3HD1      LEU  61  12.279  -9.006   5.765
  573   1HD2  LEU  61          1HD2      LEU  61  14.399  -6.352   7.162
  574   2HD2  LEU  61          2HD2      LEU  61  13.145  -5.116   7.250
  575   3HD2  LEU  61          3HD2      LEU  61  13.817  -5.581   5.687
  576    H    SER  62           HN       SER  62   9.906  -7.534   3.761
  577    HA   SER  62           HA       SER  62  10.999  -7.906   1.158
  578   1HB   SER  62          2HB       SER  62  11.145 -10.175   3.166
  579   2HB   SER  62          1HB       SER  62  11.395 -10.356   1.431
  580    HG   SER  62           HG       SER  62  12.949  -8.382   2.463
  581    H    SER  63           HN       SER  63   9.292 -10.292   3.097
  582    HA   SER  63           HA       SER  63   6.761  -9.384   1.935
  583   1HB   SER  63          2HB       SER  63   7.497 -11.669   1.144
  584   2HB   SER  63          1HB       SER  63   7.431 -12.210   2.818
  585    HG   SER  63           HG       SER  63   5.508 -12.477   1.297
  586    H    ASP  64           HN       ASP  64   8.690  -9.567   4.529
  587    HA   ASP  64           HA       ASP  64   6.767 -10.035   6.599
  588   1HB   ASP  64          2HB       ASP  64   9.482  -8.751   6.921
  589   2HB   ASP  64          1HB       ASP  64   8.574  -9.689   8.105
  590    H    VAL  65           HN       VAL  65   5.359  -8.439   5.540
  591    HA   VAL  65           HA       VAL  65   5.738  -5.809   6.796
  592    HB   VAL  65           HB       VAL  65   4.464  -6.320   4.106
  593   1HG1  VAL  65          1HG1      VAL  65   3.428  -4.465   5.300
  594   2HG1  VAL  65          2HG1      VAL  65   4.356  -3.873   3.920
  595   3HG1  VAL  65          3HG1      VAL  65   5.011  -3.727   5.554
  596   1HG2  VAL  65          1HG2      VAL  65   7.107  -5.017   4.755
  597   2HG2  VAL  65          2HG2      VAL  65   6.360  -5.062   3.160
  598   3HG2  VAL  65          3HG2      VAL  65   6.869  -6.560   3.936
  599    H    ILE  66           HN       ILE  66   3.223  -7.266   4.837
  600    HA   ILE  66           HA       ILE  66   1.684  -8.083   7.135
  601    HB   ILE  66           HB       ILE  66  -0.435  -7.106   6.029
  602   1HG1  ILE  66          2HG1      ILE  66   1.634  -5.165   4.958
  603   2HG1  ILE  66          1HG1      ILE  66   0.665  -6.264   3.983
  604   1HG2  ILE  66          1HG2      ILE  66  -0.263  -5.048   7.358
  605   2HG2  ILE  66          2HG2      ILE  66   1.475  -5.304   7.513
  606   3HG2  ILE  66          3HG2      ILE  66   0.348  -6.454   8.233
  607   1HD1  ILE  66          1HD1      ILE  66  -1.359  -5.094   4.695
  608   2HD1  ILE  66          2HD1      ILE  66  -0.220  -4.015   3.893
  609   3HD1  ILE  66          3HD1      ILE  66  -0.375  -3.988   5.650
  610    H    SER  67           HN       SER  67   1.000  -7.529   3.699
  611    HA   SER  67           HA       SER  67   0.173  -8.868   2.073
  612   1HB   SER  67          2HB       SER  67   2.509 -10.491   3.068
  613   2HB   SER  67          1HB       SER  67   1.744 -10.682   1.490
  614    HG   SER  67           HG       SER  67   3.604  -9.317   1.423
  615    H    ALA  68           HN       ALA  68   1.265 -11.761   3.676
  616    HA   ALA  68           HA       ALA  68  -1.513 -12.679   3.795
  617   1HB   ALA  68          1HB       ALA  68   0.076 -14.062   2.515
  618   2HB   ALA  68          2HB       ALA  68  -0.608 -14.928   3.889
  619   3HB   ALA  68          3HB       ALA  68   1.033 -14.286   3.978
  620    H    LEU  69           HN       LEU  69  -2.526 -12.909   5.624
  621    HA   LEU  69           HA       LEU  69  -2.999 -13.213   7.820
  622   1HB   LEU  69          2HB       LEU  69  -0.045 -13.641   8.272
  623   2HB   LEU  69          1HB       LEU  69  -1.344 -14.044   9.380
  624    HG   LEU  69           HG       LEU  69  -0.970 -15.308   6.663
  625   1HD1  LEU  69          1HD1      LEU  69  -0.202 -17.281   7.888
  626   2HD1  LEU  69          2HD1      LEU  69  -0.313 -16.394   9.408
  627   3HD1  LEU  69          3HD1      LEU  69   0.858 -15.902   8.185
  628   1HD2  LEU  69          1HD2      LEU  69  -2.621 -16.917   7.458
  629   2HD2  LEU  69          2HD2      LEU  69  -3.284 -15.282   7.456
  630   3HD2  LEU  69          3HD2      LEU  69  -2.777 -16.027   8.971
  631    H    SER  70           HN       SER  70  -0.332 -11.164   6.934
  632    HA   SER  70           HA       SER  70   0.007  -8.955   7.245
  633   1HB   SER  70          2HB       SER  70  -2.531  -8.966   8.899
  634   2HB   SER  70          1HB       SER  70  -1.707  -7.545   8.256
  635    HG   SER  70           HG       SER  70  -2.343  -9.494   6.402
  636    H    SER  71           HN       SER  71  -1.322 -10.182  10.325
  637    HA   SER  71           HA       SER  71   0.815  -8.815  11.727
  638   1HB   SER  71          2HB       SER  71  -0.474  -9.885  13.748
  639   2HB   SER  71          1HB       SER  71  -1.193  -8.531  12.876
  640    HG   SER  71           HG       SER  71  -2.717  -9.789  12.131
  641    H    GLN  72           HN       GLN  72   2.268 -10.385  10.445
  642    HA   GLN  72           HA       GLN  72   2.418 -13.026  11.617
  643   1HB   GLN  72          2HB       GLN  72   4.596 -13.027  10.100
  644   2HB   GLN  72          1HB       GLN  72   2.997 -13.311   9.441
  645   1HG   GLN  72          2HG       GLN  72   4.265 -11.830   8.024
  646   2HG   GLN  72          1HG       GLN  72   2.872 -10.983   8.703
  647   1HE2  GLN  72          1HE2      GLN  72   6.342 -11.293   8.710
  648   2HE2  GLN  72          2HE2      GLN  72   6.671  -9.795   9.530
  649    H    LYS  73           HN       LYS  73   2.715 -12.054  13.768
  650    HA   LYS  73           HA       LYS  73   5.143 -10.749  14.417
  651   1HB   LYS  73          2HB       LYS  73   4.540 -11.241  16.783
  652   2HB   LYS  73          1HB       LYS  73   3.262 -10.448  15.879
  653   1HG   LYS  73          2HG       LYS  73   3.256 -13.421  16.125
  654   2HG   LYS  73          1HG       LYS  73   2.723 -12.428  17.482
  655   1HD   LYS  73          2HD       LYS  73   1.051 -11.366  16.075
  656   2HD   LYS  73          1HD       LYS  73   1.617 -12.289  14.681
  657   1HE   LYS  73          2HE       LYS  73   0.915 -14.351  15.684
  658   2HE   LYS  73          1HE       LYS  73   0.534 -13.540  17.201
  659   1HZ   LYS  73          1HZ       LYS  73  -1.249 -12.365  16.117
  660   2HZ   LYS  73          2HZ       LYS  73  -1.448 -14.029  15.867
  661   3HZ   LYS  73          3HZ       LYS  73  -0.856 -13.048  14.614
  662    H    LYS  74           HN       LYS  74   7.035 -11.619  14.196
  663    HA   LYS  74           HA       LYS  74   7.397 -14.474  14.819
  664   1HB   LYS  74          2HB       LYS  74   8.316 -12.798  12.573
  665   2HB   LYS  74          1HB       LYS  74   9.547 -13.844  13.264
  666   1HG   LYS  74          2HG       LYS  74   8.382 -14.852  11.349
  667   2HG   LYS  74          1HG       LYS  74   8.206 -15.797  12.828
  668   1HD   LYS  74          2HD       LYS  74   5.973 -14.692  13.143
  669   2HD   LYS  74          1HD       LYS  74   6.171 -13.988  11.536
  670   1HE   LYS  74          2HE       LYS  74   4.852 -15.972  11.320
  671   2HE   LYS  74          1HE       LYS  74   6.445 -16.286  10.631
  672   1HZ   LYS  74          1HZ       LYS  74   6.972 -17.226  12.955
  673   2HZ   LYS  74          2HZ       LYS  74   6.034 -18.159  11.900
  674   3HZ   LYS  74          3HZ       LYS  74   5.285 -17.296  13.150
  Start of MODEL    8
    1    H    HIS  -9           H        HIS  -9   8.629  13.557 -20.792
    2    HA   HIS  -9           HA       HIS  -9  10.871  11.798 -21.584
    3   1HB   HIS  -9          2HB       HIS  -9  12.002  13.783 -22.421
    4   2HB   HIS  -9          1HB       HIS  -9  10.480  13.572 -23.268
    5    HD1  HIS  -9           1HD      HIS  -9   8.574  15.303 -22.710
    6    HD2  HIS  -9           2HD      HIS  -9  12.278  16.147 -21.018
    7    HE1  HIS  -9           1HE      HIS  -9   8.454  17.706 -21.970
    8    HE2  HIS  -9           2HE      HIS  -9  10.761  18.240 -21.100
    9    H    SER  -8           HN       SER  -8  12.648  11.885 -20.267
   10    HA   SER  -8           HA       SER  -8  13.758  11.999 -18.297
   11   1HB   SER  -8          2HB       SER  -8  13.846  14.429 -19.040
   12   2HB   SER  -8          1HB       SER  -8  12.499  14.728 -17.945
   13    HG   SER  -8           HG       SER  -8  15.163  14.351 -17.407
   14    H    SER  -7           HN       SER  -7  12.331  10.296 -17.548
   15    HA   SER  -7           HA       SER  -7  10.393  11.225 -15.524
   16   1HB   SER  -7          2HB       SER  -7   9.528   9.955 -17.600
   17   2HB   SER  -7          1HB       SER  -7  10.284   8.533 -16.885
   18    HG   SER  -7           HG       SER  -7   8.758   8.442 -15.418
   19    H    GLY  -6           HN       GLY  -6  13.410  10.226 -15.682
   20   1HA   GLY  -6          2HA       GLY  -6  13.385   8.082 -13.740
   21   2HA   GLY  -6          1HA       GLY  -6  14.801   8.948 -14.327
   22    H    HIS  -5           HN       HIS  -5  11.972  10.484 -13.006
   23    HA   HIS  -5           HA       HIS  -5  13.592  11.456 -10.757
   24   1HB   HIS  -5          2HB       HIS  -5  13.058  13.303 -12.170
   25   2HB   HIS  -5          1HB       HIS  -5  11.389  12.776 -12.350
   26    HD1  HIS  -5           1HD      HIS  -5  13.714  14.388  -9.832
   27    HD2  HIS  -5           2HD      HIS  -5   9.661  13.698 -10.437
   28    HE1  HIS  -5           1HE      HIS  -5  12.526  15.719  -8.061
   29    HE2  HIS  -5           2HE      HIS  -5  10.090  15.097  -8.307
   30    H    ILE  -4           HN       ILE  -4  13.018  10.667  -8.867
   31    HA   ILE  -4           HA       ILE  -4  10.344   9.530  -8.540
   32    HB   ILE  -4           HB       ILE  -4  12.240   8.139  -7.876
   33   1HG1  ILE  -4          2HG1      ILE  -4  10.715   9.008  -5.420
   34   2HG1  ILE  -4          1HG1      ILE  -4   9.988   8.065  -6.718
   35   1HG2  ILE  -4          1HG2      ILE  -4  12.795  10.286  -5.836
   36   2HG2  ILE  -4          2HG2      ILE  -4  13.811   9.862  -7.212
   37   3HG2  ILE  -4          3HG2      ILE  -4  13.577   8.708  -5.901
   38   1HD1  ILE  -4          1HD1      ILE  -4  10.692   6.666  -4.861
   39   2HD1  ILE  -4          2HD1      ILE  -4  12.352   7.229  -5.064
   40   3HD1  ILE  -4          3HD1      ILE  -4  11.577   6.285  -6.337
   41    H    GLU  -3           HN       GLU  -3   8.837  10.339  -7.167
   42    HA   GLU  -3           HA       GLU  -3   9.361  13.005  -6.088
   43   1HB   GLU  -3          2HB       GLU  -3   6.799  11.461  -6.531
   44   2HB   GLU  -3          1HB       GLU  -3   6.869  13.071  -5.826
   45   1HG   GLU  -3          2HG       GLU  -3   8.020  12.471  -8.529
   46   2HG   GLU  -3          1HG       GLU  -3   6.321  12.888  -8.301
   47    H    GLY  -2           HN       GLY  -2  10.254  10.417  -4.844
   48   1HA   GLY  -2          2HA       GLY  -2  10.460   9.527  -2.734
   49   2HA   GLY  -2          1HA       GLY  -2   9.725  11.009  -2.131
   50    H    ARG  -1           HN       ARG  -1   8.250   8.795  -4.399
   51    HA   ARG  -1           HA       ARG  -1   5.877   8.797  -2.750
   52   1HB   ARG  -1          2HB       ARG  -1   4.695   8.089  -4.667
   53   2HB   ARG  -1          1HB       ARG  -1   5.898   9.217  -5.278
   54   1HG   ARG  -1          2HG       ARG  -1   7.247   7.465  -6.128
   55   2HG   ARG  -1          1HG       ARG  -1   6.313   6.239  -5.268
   56   1HD   ARG  -1          2HD       ARG  -1   4.323   7.040  -6.653
   57   2HD   ARG  -1          1HD       ARG  -1   5.509   7.880  -7.651
   58    HE   ARG  -1           HE       ARG  -1   6.508   5.403  -7.649
   59   1HH1  ARG  -1          1HH1      ARG  -1   3.248   6.575  -8.155
   60   2HH1  ARG  -1          2HH1      ARG  -1   2.771   5.231  -9.144
   61   1HH2  ARG  -1          1HH2      ARG  -1   5.900   3.635  -8.989
   62   2HH2  ARG  -1          2HH2      ARG  -1   4.293   3.576  -9.643
   63    H    HIS   0           HN       HIS   0   4.621   6.747  -2.659
   64    HA   HIS   0           HA       HIS   0   6.364   4.430  -2.325
   65   1HB   HIS   0          2HB       HIS   0   5.117   3.846  -0.256
   66   2HB   HIS   0          1HB       HIS   0   6.085   5.308  -0.118
   67    HD1  HIS   0           1HD      HIS   0   4.924   6.989   1.211
   68    HD2  HIS   0           2HD      HIS   0   2.263   4.790  -1.097
   69    HE1  HIS   0           1HE      HIS   0   2.640   7.917   1.725
   70    HE2  HIS   0           2HE      HIS   0   1.059   6.633   0.246
   71    H    MET   1           HN       MET   1   5.560   2.540  -3.009
   72    HA   MET   1           HA       MET   1   2.687   2.429  -3.669
   73   1HB   MET   1          2HB       MET   1   3.983   2.186  -5.697
   74   2HB   MET   1          1HB       MET   1   5.021   0.984  -4.942
   75   1HG   MET   1          2HG       MET   1   3.122  -0.549  -4.773
   76   2HG   MET   1          1HG       MET   1   2.088   0.653  -5.540
   77   1HE   MET   1          1HE       MET   1   1.434  -1.441  -7.148
   78   2HE   MET   1          2HE       MET   1   2.667  -2.478  -6.430
   79   3HE   MET   1          3HE       MET   1   2.600  -2.268  -8.180
   80    H    LEU   2           HN       LEU   2   1.683   1.380  -2.051
   81    HA   LEU   2           HA       LEU   2   3.175  -0.775  -0.738
   82   1HB   LEU   2          2HB       LEU   2   2.156   1.160   0.621
   83   2HB   LEU   2          1HB       LEU   2   0.603   0.415   0.275
   84    HG   LEU   2           HG       LEU   2   1.712  -0.139   2.524
   85   1HD1  LEU   2          1HD1      LEU   2   0.844  -2.383   0.714
   86   2HD1  LEU   2          2HD1      LEU   2  -0.199  -1.386   1.729
   87   3HD1  LEU   2          3HD1      LEU   2   0.970  -2.477   2.470
   88   1HD2  LEU   2          1HD2      LEU   2   3.342  -1.961   0.764
   89   2HD2  LEU   2          2HD2      LEU   2   3.345  -1.919   2.526
   90   3HD2  LEU   2          3HD2      LEU   2   3.959  -0.543   1.610
   91    H    VAL   3           HN       VAL   3   2.655  -2.775  -1.093
   92    HA   VAL   3           HA       VAL   3   0.291  -3.286  -2.736
   93    HB   VAL   3           HB       VAL   3   2.596  -3.806  -3.593
   94   1HG1  VAL   3          1HG1      VAL   3   3.648  -5.901  -2.901
   95   2HG1  VAL   3          2HG1      VAL   3   2.469  -6.056  -1.599
   96   3HG1  VAL   3          3HG1      VAL   3   3.611  -4.712  -1.601
   97   1HG2  VAL   3          1HG2      VAL   3   1.920  -5.917  -4.629
   98   2HG2  VAL   3          2HG2      VAL   3   0.625  -4.720  -4.624
   99   3HG2  VAL   3          3HG2      VAL   3   0.602  -6.049  -3.466
  100    H    LEU   4           HN       LEU   4  -1.349  -4.383  -1.983
  101    HA   LEU   4           HA       LEU   4  -1.151  -5.609   0.693
  102   1HB   LEU   4          2HB       LEU   4  -2.856  -3.619  -0.356
  103   2HB   LEU   4          1HB       LEU   4  -3.834  -5.056  -0.211
  104    HG   LEU   4           HG       LEU   4  -3.826  -3.416   1.766
  105   1HD1  LEU   4          1HD1      LEU   4  -3.983  -5.245   3.383
  106   2HD1  LEU   4          2HD1      LEU   4  -3.200  -6.333   2.236
  107   3HD1  LEU   4          3HD1      LEU   4  -4.788  -5.658   1.870
  108   1HD2  LEU   4          1HD2      LEU   4  -2.059  -3.616   3.362
  109   2HD2  LEU   4          2HD2      LEU   4  -1.351  -3.160   1.812
  110   3HD2  LEU   4          3HD2      LEU   4  -1.235  -4.825   2.382
  111    H    SER   5           HN       SER   5  -2.031  -7.694   0.960
  112    HA   SER   5           HA       SER   5  -2.163  -9.122  -1.554
  113   1HB   SER   5          2HB       SER   5  -2.204 -11.144   0.050
  114   2HB   SER   5          1HB       SER   5  -0.733 -10.168  -0.003
  115    HG   SER   5           HG       SER   5  -1.736 -10.755   2.141
  116    H    ARG   6           HN       ARG   6  -4.006  -9.416  -2.549
  117    HA   ARG   6           HA       ARG   6  -6.389 -10.159  -1.061
  118   1HB   ARG   6          2HB       ARG   6  -6.307  -7.616  -1.231
  119   2HB   ARG   6          1HB       ARG   6  -6.456  -7.816  -2.968
  120   1HG   ARG   6          2HG       ARG   6  -8.628  -7.418  -2.350
  121   2HG   ARG   6          1HG       ARG   6  -8.581  -9.182  -2.370
  122   1HD   ARG   6          2HD       ARG   6  -8.080  -7.598   0.132
  123   2HD   ARG   6          1HD       ARG   6  -9.706  -8.044  -0.376
  124    HE   ARG   6           HE       ARG   6  -8.351 -10.406  -0.386
  125   1HH1  ARG   6          1HH1      ARG   6  -8.753  -7.875   2.010
  126   2HH1  ARG   6          2HH1      ARG   6  -8.777  -8.991   3.348
  127   1HH2  ARG   6          1HH2      ARG   6  -8.370 -11.853   1.390
  128   2HH2  ARG   6          2HH2      ARG   6  -8.552 -11.222   3.000
  129    H    LYS   7           HN       LYS   7  -7.227 -11.823  -2.160
  130    HA   LYS   7           HA       LYS   7  -6.170 -12.275  -4.847
  131   1HB   LYS   7          2HB       LYS   7  -7.452 -14.190  -2.886
  132   2HB   LYS   7          1HB       LYS   7  -6.836 -14.638  -4.473
  133   1HG   LYS   7          2HG       LYS   7  -5.068 -15.224  -3.128
  134   2HG   LYS   7          1HG       LYS   7  -4.613 -13.584  -3.589
  135   1HD   LYS   7          2HD       LYS   7  -5.887 -12.919  -1.410
  136   2HD   LYS   7          1HD       LYS   7  -5.636 -14.604  -0.971
  137   1HE   LYS   7          2HE       LYS   7  -3.194 -14.231  -1.460
  138   2HE   LYS   7          1HE       LYS   7  -3.567 -12.504  -1.575
  139   1HZ   LYS   7          1HZ       LYS   7  -4.024 -14.236   0.812
  140   2HZ   LYS   7          2HZ       LYS   7  -4.404 -12.590   0.708
  141   3HZ   LYS   7          3HZ       LYS   7  -2.784 -13.092   0.644
  142    H    ILE   8           HN       ILE   8  -8.112 -10.398  -4.678
  143    HA   ILE   8           HA       ILE   8 -10.425 -11.707  -5.948
  144    HB   ILE   8           HB       ILE   8 -10.714  -9.111  -4.458
  145   1HG1  ILE   8          2HG1      ILE   8 -10.983 -11.862  -3.205
  146   2HG1  ILE   8          1HG1      ILE   8  -9.656 -10.748  -2.888
  147   1HG2  ILE   8          1HG2      ILE   8 -13.031  -9.893  -4.218
  148   2HG2  ILE   8          2HG2      ILE   8 -12.611 -11.387  -5.053
  149   3HG2  ILE   8          3HG2      ILE   8 -12.530  -9.848  -5.909
  150   1HD1  ILE   8          1HD1      ILE   8 -11.306 -10.703  -1.106
  151   2HD1  ILE   8          2HD1      ILE   8 -12.562 -10.261  -2.263
  152   3HD1  ILE   8          3HD1      ILE   8 -11.232  -9.149  -1.935
  153    H    ASN   9           HN       ASN   9  -7.902  -9.512  -6.146
  154    HA   ASN   9           HA       ASN   9  -7.357  -7.694  -7.385
  155   1HB   ASN   9          2HB       ASN   9  -7.413  -8.069  -9.766
  156   2HB   ASN   9          1HB       ASN   9  -7.029  -9.570  -8.950
  157   1HD2  ASN   9          1HD2      ASN   9  -8.414 -11.289  -9.121
  158   2HD2  ASN   9          2HD2      ASN   9  -9.768 -11.309 -10.194
  159    H    GLU  10           HN       GLU  10  -9.838  -7.349  -6.049
  160    HA   GLU  10           HA       GLU  10 -11.531  -5.868  -7.860
  161   1HB   GLU  10          2HB       GLU  10 -12.861  -5.361  -5.861
  162   2HB   GLU  10          1HB       GLU  10 -12.552  -7.084  -6.005
  163   1HG   GLU  10          2HG       GLU  10 -10.898  -7.010  -4.289
  164   2HG   GLU  10          1HG       GLU  10 -10.953  -5.247  -4.236
  165    H    ALA  11           HN       ALA  11 -12.218  -3.625  -6.574
  166    HA   ALA  11           HA       ALA  11  -9.686  -2.115  -6.554
  167   1HB   ALA  11          1HB       ALA  11 -12.459  -1.149  -7.267
  168   2HB   ALA  11          2HB       ALA  11 -11.174  -1.531  -8.414
  169   3HB   ALA  11          3HB       ALA  11 -10.983  -0.183  -7.295
  170    H    ILE  12           HN       ILE  12  -9.324  -0.638  -4.899
  171    HA   ILE  12           HA       ILE  12 -11.140  -0.996  -2.613
  172    HB   ILE  12           HB       ILE  12  -8.279  -0.022  -2.516
  173   1HG1  ILE  12          2HG1      ILE  12  -8.307  -2.305  -3.399
  174   2HG1  ILE  12          1HG1      ILE  12  -7.679  -2.290  -1.755
  175   1HG2  ILE  12          1HG2      ILE  12 -10.129  -1.064  -0.372
  176   2HG2  ILE  12          2HG2      ILE  12  -9.636   0.614  -0.604
  177   3HG2  ILE  12          3HG2      ILE  12  -8.445  -0.600  -0.138
  178   1HD1  ILE  12          1HD1      ILE  12  -9.157  -4.176  -2.121
  179   2HD1  ILE  12          2HD1      ILE  12 -10.466  -3.081  -2.569
  180   3HD1  ILE  12          3HD1      ILE  12  -9.832  -3.072  -0.922
  181    H    GLN  13           HN       GLN  13 -12.543   0.625  -2.543
  182    HA   GLN  13           HA       GLN  13 -11.528   3.375  -2.822
  183   1HB   GLN  13          2HB       GLN  13 -13.296   2.959  -4.397
  184   2HB   GLN  13          1HB       GLN  13 -14.306   2.235  -3.155
  185   1HG   GLN  13          2HG       GLN  13 -15.223   4.352  -3.462
  186   2HG   GLN  13          1HG       GLN  13 -14.240   4.519  -2.009
  187   1HE2  GLN  13          1HE2      GLN  13 -12.241   5.645  -2.168
  188   2HE2  GLN  13          2HE2      GLN  13 -11.946   6.766  -3.454
  189    H    ILE  14           HN       ILE  14 -10.912   3.972  -0.823
  190    HA   ILE  14           HA       ILE  14 -12.887   3.574   1.319
  191    HB   ILE  14           HB       ILE  14 -11.022   3.751   2.956
  192   1HG1  ILE  14          2HG1      ILE  14  -9.424   4.765   1.180
  193   2HG1  ILE  14          1HG1      ILE  14  -8.766   3.646   2.366
  194   1HG2  ILE  14          1HG2      ILE  14 -10.265   1.427   2.652
  195   2HG2  ILE  14          2HG2      ILE  14 -10.940   1.445   1.022
  196   3HG2  ILE  14          3HG2      ILE  14 -12.005   1.620   2.416
  197   1HD1  ILE  14          1HD1      ILE  14  -9.493   2.982  -0.479
  198   2HD1  ILE  14          2HD1      ILE  14  -8.838   1.856   0.706
  199   3HD1  ILE  14          3HD1      ILE  14  -7.867   3.223   0.157
  200    H    GLY  15           HN       GLY  15 -13.886   5.340   1.882
  201   1HA   GLY  15          2HA       GLY  15 -14.218   7.452   2.708
  202   2HA   GLY  15          1HA       GLY  15 -12.481   7.558   2.927
  203    H    ALA  16           HN       ALA  16 -13.454   6.893  -0.255
  204    HA   ALA  16           HA       ALA  16 -13.510   8.057  -2.192
  205   1HB   ALA  16          1HB       ALA  16 -14.186  10.456  -0.502
  206   2HB   ALA  16          2HB       ALA  16 -15.348   9.277  -1.105
  207   3HB   ALA  16          3HB       ALA  16 -14.442  10.281  -2.236
  208    H    ASP  17           HN       ASP  17 -11.106   8.404  -0.024
  209    HA   ASP  17           HA       ASP  17  -9.676  10.501  -1.465
  210   1HB   ASP  17          2HB       ASP  17  -9.404  10.423   0.975
  211   2HB   ASP  17          1HB       ASP  17  -8.764   8.785   0.874
  212    H    ILE  18           HN       ILE  18  -9.426   7.041  -0.826
  213    HA   ILE  18           HA       ILE  18  -7.595   6.853  -3.119
  214    HB   ILE  18           HB       ILE  18  -7.619   5.243  -0.565
  215   1HG1  ILE  18          2HG1      ILE  18  -6.421   7.390  -0.488
  216   2HG1  ILE  18          1HG1      ILE  18  -5.313   6.028  -0.356
  217   1HG2  ILE  18          1HG2      ILE  18  -6.062   4.714  -3.096
  218   2HG2  ILE  18          2HG2      ILE  18  -7.303   3.683  -2.385
  219   3HG2  ILE  18          3HG2      ILE  18  -5.772   3.925  -1.547
  220   1HD1  ILE  18          1HD1      ILE  18  -4.405   7.758  -1.787
  221   2HD1  ILE  18          2HD1      ILE  18  -5.823   7.658  -2.832
  222   3HD1  ILE  18          3HD1      ILE  18  -4.718   6.287  -2.710
  223    H    GLU  19           HN       GLU  19  -8.691   6.058  -4.800
  224    HA   GLU  19           HA       GLU  19  -9.777   3.363  -4.395
  225   1HB   GLU  19          2HB       GLU  19 -11.681   4.855  -4.950
  226   2HB   GLU  19          1HB       GLU  19 -10.853   5.331  -6.430
  227   1HG   GLU  19          2HG       GLU  19 -10.874   2.970  -7.163
  228   2HG   GLU  19          1HG       GLU  19 -11.792   2.558  -5.719
  229    H    VAL  20           HN       VAL  20  -8.413   2.014  -5.299
  230    HA   VAL  20           HA       VAL  20  -7.573   2.257  -7.991
  231    HB   VAL  20           HB       VAL  20  -6.060   3.940  -7.021
  232   1HG1  VAL  20          1HG1      VAL  20  -5.872   3.110  -4.762
  233   2HG1  VAL  20          2HG1      VAL  20  -4.270   3.262  -5.481
  234   3HG1  VAL  20          3HG1      VAL  20  -5.021   1.674  -5.330
  235   1HG2  VAL  20          1HG2      VAL  20  -4.672   1.420  -7.919
  236   2HG2  VAL  20          2HG2      VAL  20  -3.940   3.023  -7.868
  237   3HG2  VAL  20          3HG2      VAL  20  -5.294   2.706  -8.951
  238    H    LYS  21           HN       LYS  21  -6.852   0.326  -8.763
  239    HA   LYS  21           HA       LYS  21  -5.873  -1.616  -6.807
  240   1HB   LYS  21          2HB       LYS  21  -6.918  -3.381  -8.450
  241   2HB   LYS  21          1HB       LYS  21  -7.867  -2.670  -7.158
  242   1HG   LYS  21          2HG       LYS  21  -9.299  -2.623  -8.966
  243   2HG   LYS  21          1HG       LYS  21  -8.644  -0.986  -8.939
  244   1HD   LYS  21          2HD       LYS  21  -7.217  -1.428 -10.766
  245   2HD   LYS  21          1HD       LYS  21  -7.475  -3.169 -10.644
  246   1HE   LYS  21          2HE       LYS  21  -9.741  -2.944 -11.386
  247   2HE   LYS  21          1HE       LYS  21  -9.633  -1.185 -11.330
  248   1HZ   LYS  21          1HZ       LYS  21  -9.389  -2.337 -13.579
  249   2HZ   LYS  21          2HZ       LYS  21  -7.828  -2.759 -13.060
  250   3HZ   LYS  21          3HZ       LYS  21  -8.270  -1.127 -13.181
  251    H    VAL  22           HN       VAL  22  -3.761  -1.390  -7.252
  252    HA   VAL  22           HA       VAL  22  -2.913  -1.844 -10.015
  253    HB   VAL  22           HB       VAL  22  -1.202  -1.347  -7.563
  254   1HG1  VAL  22          1HG1      VAL  22  -0.027  -2.538  -9.341
  255   2HG1  VAL  22          2HG1      VAL  22   0.576  -0.887  -9.179
  256   3HG1  VAL  22          3HG1      VAL  22  -0.515  -1.302 -10.501
  257   1HG2  VAL  22          1HG2      VAL  22  -2.627   0.569  -8.066
  258   2HG2  VAL  22          2HG2      VAL  22  -2.060   0.557  -9.737
  259   3HG2  VAL  22          3HG2      VAL  22  -0.936   0.920  -8.428
  260    H    ILE  23           HN       ILE  23  -2.947  -3.909 -10.595
  261    HA   ILE  23           HA       ILE  23  -2.793  -5.928  -8.504
  262    HB   ILE  23           HB       ILE  23  -3.517  -6.256 -11.411
  263   1HG1  ILE  23          2HG1      ILE  23  -5.366  -6.169  -9.022
  264   2HG1  ILE  23          1HG1      ILE  23  -5.035  -4.759 -10.023
  265   1HG2  ILE  23          1HG2      ILE  23  -3.859  -8.112  -9.059
  266   2HG2  ILE  23          2HG2      ILE  23  -2.730  -8.323 -10.397
  267   3HG2  ILE  23          3HG2      ILE  23  -4.467  -8.402 -10.690
  268   1HD1  ILE  23          1HD1      ILE  23  -7.129  -5.826 -10.638
  269   2HD1  ILE  23          2HD1      ILE  23  -6.280  -7.338 -10.958
  270   3HD1  ILE  23          3HD1      ILE  23  -5.962  -5.920 -11.958
  271    H    ALA  24           HN       ALA  24  -1.033  -6.972  -8.106
  272    HA   ALA  24           HA       ALA  24   0.984  -7.282 -10.222
  273   1HB   ALA  24          1HB       ALA  24   1.675  -5.533  -8.637
  274   2HB   ALA  24          2HB       ALA  24   2.740  -6.935  -8.573
  275   3HB   ALA  24          3HB       ALA  24   1.532  -6.690  -7.312
  276    H    VAL  25           HN       VAL  25   2.155  -9.198 -10.185
  277    HA   VAL  25           HA       VAL  25   0.814 -11.366  -8.778
  278    HB   VAL  25           HB       VAL  25   3.046 -11.540 -10.812
  279   1HG1  VAL  25          1HG1      VAL  25   2.293 -13.867 -11.058
  280   2HG1  VAL  25          2HG1      VAL  25   1.116 -13.614  -9.769
  281   3HG1  VAL  25          3HG1      VAL  25   2.842 -13.523  -9.418
  282   1HG2  VAL  25          1HG2      VAL  25   1.076 -10.455 -11.780
  283   2HG2  VAL  25          2HG2      VAL  25   0.066 -11.795 -11.234
  284   3HG2  VAL  25          3HG2      VAL  25   1.311 -12.069 -12.453
  285    H    GLU  26           HN       GLU  26   1.545 -12.049  -6.907
  286    HA   GLU  26           HA       GLU  26   4.116 -11.161  -5.910
  287   1HB   GLU  26          2HB       GLU  26   1.730 -11.440  -4.700
  288   2HB   GLU  26          1HB       GLU  26   2.407 -13.033  -4.344
  289   1HG   GLU  26          2HG       GLU  26   4.460 -11.744  -3.500
  290   2HG   GLU  26          1HG       GLU  26   3.415 -10.320  -3.546
  291    H    GLY  27           HN       GLY  27   4.209 -13.024  -8.066
  292   1HA   GLY  27          2HA       GLY  27   5.540 -14.844  -8.602
  293   2HA   GLY  27          1HA       GLY  27   5.860 -15.062  -6.886
  294    H    ASP  28           HN       ASP  28   3.650 -15.642  -5.686
  295    HA   ASP  28           HA       ASP  28   2.330 -17.761  -7.237
  296   1HB   ASP  28          2HB       ASP  28   4.109 -18.693  -5.758
  297   2HB   ASP  28          1HB       ASP  28   3.267 -18.013  -4.372
  298    H    GLN  29           HN       GLN  29   1.769 -14.950  -6.011
  299    HA   GLN  29           HA       GLN  29  -0.875 -15.629  -4.965
  300   1HB   GLN  29          2HB       GLN  29   0.598 -15.386  -3.019
  301   2HB   GLN  29          1HB       GLN  29   1.119 -13.813  -3.601
  302   1HG   GLN  29          2HG       GLN  29  -0.844 -12.789  -3.013
  303   2HG   GLN  29          1HG       GLN  29  -1.772 -14.290  -3.051
  304   1HE2  GLN  29          1HE2      GLN  29   0.409 -12.304  -1.210
  305   2HE2  GLN  29          2HE2      GLN  29   0.199 -13.128   0.299
  306    H    VAL  30           HN       VAL  30  -2.409 -13.884  -5.161
  307    HA   VAL  30           HA       VAL  30  -1.514 -11.796  -7.019
  308    HB   VAL  30           HB       VAL  30  -3.936 -11.581  -7.687
  309   1HG1  VAL  30          1HG1      VAL  30  -2.407 -12.729  -9.149
  310   2HG1  VAL  30          2HG1      VAL  30  -3.932 -13.615  -9.114
  311   3HG1  VAL  30          3HG1      VAL  30  -2.546 -14.210  -8.199
  312   1HG2  VAL  30          1HG2      VAL  30  -4.193 -14.171  -6.160
  313   2HG2  VAL  30          2HG2      VAL  30  -5.416 -13.492  -7.232
  314   3HG2  VAL  30          3HG2      VAL  30  -4.962 -12.638  -5.757
  315    H    LYS  31           HN       LYS  31  -1.480  -9.811  -6.317
  316    HA   LYS  31           HA       LYS  31  -3.216  -9.071  -4.095
  317   1HB   LYS  31          2HB       LYS  31  -1.402  -8.195  -2.805
  318   2HB   LYS  31          1HB       LYS  31  -1.039  -9.865  -3.221
  319   1HG   LYS  31          2HG       LYS  31   0.337  -8.922  -5.132
  320   2HG   LYS  31          1HG       LYS  31   0.139  -7.350  -4.366
  321   1HD   LYS  31          2HD       LYS  31   1.473  -9.796  -3.239
  322   2HD   LYS  31          1HD       LYS  31   2.204  -8.231  -3.608
  323   1HE   LYS  31          2HE       LYS  31   0.971  -7.175  -1.838
  324   2HE   LYS  31          1HE       LYS  31   0.055  -8.655  -1.543
  325   1HZ   LYS  31          1HZ       LYS  31   1.843  -8.379   0.064
  326   2HZ   LYS  31          2HZ       LYS  31   2.984  -8.364  -1.192
  327   3HZ   LYS  31          3HZ       LYS  31   2.075  -9.765  -0.891
  328    H    LEU  32           HN       LEU  32  -3.647  -6.869  -3.890
  329    HA   LEU  32           HA       LEU  32  -3.172  -5.311  -6.323
  330   1HB   LEU  32          2HB       LEU  32  -4.955  -3.870  -5.555
  331   2HB   LEU  32          1HB       LEU  32  -5.481  -5.531  -5.527
  332    HG   LEU  32           HG       LEU  32  -4.672  -5.308  -2.976
  333   1HD1  LEU  32          1HD1      LEU  32  -5.658  -2.560  -3.723
  334   2HD1  LEU  32          2HD1      LEU  32  -4.035  -2.970  -3.169
  335   3HD1  LEU  32          3HD1      LEU  32  -5.411  -3.157  -2.084
  336   1HD2  LEU  32          1HD2      LEU  32  -7.028  -4.975  -2.413
  337   2HD2  LEU  32          2HD2      LEU  32  -6.834  -6.119  -3.744
  338   3HD2  LEU  32          3HD2      LEU  32  -7.351  -4.464  -4.070
  339    H    GLY  33           HN       GLY  33  -2.661  -2.967  -5.990
  340   1HA   GLY  33          2HA       GLY  33  -1.301  -2.445  -3.445
  341   2HA   GLY  33          1HA       GLY  33  -0.411  -2.251  -4.947
  342    H    ILE  34           HN       ILE  34  -1.285  -0.317  -2.808
  343    HA   ILE  34           HA       ILE  34  -2.649   1.528  -4.640
  344    HB   ILE  34           HB       ILE  34  -3.338   2.890  -2.803
  345   1HG1  ILE  34          2HG1      ILE  34  -2.196   1.054  -0.734
  346   2HG1  ILE  34          1HG1      ILE  34  -1.155   2.290  -1.453
  347   1HG2  ILE  34          1HG2      ILE  34  -4.753   1.323  -1.542
  348   2HG2  ILE  34          2HG2      ILE  34  -3.817  -0.017  -2.206
  349   3HG2  ILE  34          3HG2      ILE  34  -4.760   1.017  -3.280
  350   1HD1  ILE  34          1HD1      ILE  34  -2.729   4.013  -0.747
  351   2HD1  ILE  34          2HD1      ILE  34  -2.169   3.054   0.623
  352   3HD1  ILE  34          3HD1      ILE  34  -3.774   2.777  -0.050
  353    H    ASP  35           HN       ASP  35  -1.247   2.694  -5.764
  354    HA   ASP  35           HA       ASP  35   1.039   3.771  -4.281
  355   1HB   ASP  35          2HB       ASP  35   2.267   4.036  -6.315
  356   2HB   ASP  35          1HB       ASP  35   1.641   2.396  -6.295
  357    H    ALA  36           HN       ALA  36   1.382   5.898  -4.230
  358    HA   ALA  36           HA       ALA  36  -0.618   7.649  -5.445
  359   1HB   ALA  36          1HB       ALA  36  -1.011   8.770  -3.309
  360   2HB   ALA  36          2HB       ALA  36   0.061   7.628  -2.501
  361   3HB   ALA  36          3HB       ALA  36  -1.452   7.065  -3.210
  362    HA   PRO  37           HA       PRO  37   2.883  10.391  -5.953
  363   1HB   PRO  37          2HB       PRO  37   1.665  12.814  -5.704
  364   2HB   PRO  37          1HB       PRO  37   1.514  11.808  -7.150
  365   1HG   PRO  37          2HG       PRO  37  -0.374  12.102  -4.840
  366   2HG   PRO  37          1HG       PRO  37  -0.730  12.074  -6.578
  367   1HD   PRO  37          2HD       PRO  37  -1.082   9.914  -5.018
  368   2HD   PRO  37          1HD       PRO  37  -0.546   9.769  -6.706
  369    H    LYS  38           HN       LYS  38   2.036   9.391  -3.258
  370    HA   LYS  38           HA       LYS  38   2.643   9.567  -1.108
  371   1HB   LYS  38          2HB       LYS  38   4.728  10.645  -2.607
  372   2HB   LYS  38          1HB       LYS  38   4.494  11.776  -1.279
  373   1HG   LYS  38          2HG       LYS  38   4.999   8.818  -1.058
  374   2HG   LYS  38          1HG       LYS  38   6.143  10.112  -0.698
  375   1HD   LYS  38          2HD       LYS  38   3.921  10.737   0.828
  376   2HD   LYS  38          1HD       LYS  38   4.034   8.973   0.931
  377   1HE   LYS  38          2HE       LYS  38   6.073   9.011   1.967
  378   2HE   LYS  38          1HE       LYS  38   6.533  10.561   1.256
  379   1HZ   LYS  38          1HZ       LYS  38   4.961  11.655   2.751
  380   2HZ   LYS  38          2HZ       LYS  38   6.128  10.785   3.614
  381   3HZ   LYS  38          3HZ       LYS  38   4.566  10.162   3.453
  382    H    HIS  39           HN       HIS  39   0.450  11.192  -2.129
  383    HA   HIS  39           HA       HIS  39   0.282  13.601  -0.689
  384   1HB   HIS  39          2HB       HIS  39  -2.032  13.570  -1.162
  385   2HB   HIS  39          1HB       HIS  39  -1.326  12.670  -2.499
  386    HD1  HIS  39           1HD      HIS  39  -0.995   9.964  -0.945
  387    HD2  HIS  39           2HD      HIS  39  -4.459  12.244  -1.032
  388    HE1  HIS  39           1HE      HIS  39  -2.811   8.419  -0.265
  389    HE2  HIS  39           2HE      HIS  39  -4.925   9.822  -0.240
  390    H    ILE  40           HN       ILE  40  -1.426  13.773   1.180
  391    HA   ILE  40           HA       ILE  40  -0.516  12.139   3.351
  392    HB   ILE  40           HB       ILE  40  -2.016  13.445   4.763
  393   1HG1  ILE  40          2HG1      ILE  40  -3.723  13.662   2.792
  394   2HG1  ILE  40          1HG1      ILE  40  -3.627  14.934   4.011
  395   1HG2  ILE  40          1HG2      ILE  40   0.165  14.347   4.346
  396   2HG2  ILE  40          2HG2      ILE  40  -1.003  15.667   4.421
  397   3HG2  ILE  40          3HG2      ILE  40  -0.394  15.113   2.861
  398   1HD1  ILE  40          1HD1      ILE  40  -2.525  14.975   1.209
  399   2HD1  ILE  40          2HD1      ILE  40  -2.134  16.189   2.427
  400   3HD1  ILE  40          3HD1      ILE  40  -3.802  15.982   1.891
  401    H    ASP  41           HN       ASP  41  -1.903  10.830   4.660
  402    HA   ASP  41           HA       ASP  41  -3.981   9.587   3.024
  403   1HB   ASP  41          2HB       ASP  41  -3.680   7.630   4.608
  404   2HB   ASP  41          1HB       ASP  41  -2.271   8.072   3.633
  405    H    ILE  42           HN       ILE  42  -5.898  10.365   3.378
  406    HA   ILE  42           HA       ILE  42  -6.685  11.535   5.883
  407    HB   ILE  42           HB       ILE  42  -8.457  10.875   3.527
  408   1HG1  ILE  42          2HG1      ILE  42  -6.505  12.162   2.769
  409   2HG1  ILE  42          1HG1      ILE  42  -7.988  13.101   2.653
  410   1HG2  ILE  42          1HG2      ILE  42  -8.697  13.000   5.653
  411   2HG2  ILE  42          2HG2      ILE  42  -9.620  11.499   5.582
  412   3HG2  ILE  42          3HG2      ILE  42  -9.827  12.718   4.327
  413   1HD1  ILE  42          1HD1      ILE  42  -7.393  14.264   4.729
  414   2HD1  ILE  42          2HD1      ILE  42  -6.170  14.469   3.475
  415   3HD1  ILE  42          3HD1      ILE  42  -5.894  13.339   4.801
  416    H    HIS  43           HN       HIS  43  -8.260  10.684   7.338
  417    HA   HIS  43           HA       HIS  43  -9.150   7.947   6.746
  418   1HB   HIS  43          2HB       HIS  43  -8.072   8.750   9.451
  419   2HB   HIS  43          1HB       HIS  43  -8.687   7.166   8.979
  420    HD1  HIS  43           1HD      HIS  43  -5.702   8.233   9.966
  421    HD2  HIS  43           2HD      HIS  43  -6.907   6.736   6.277
  422    HE1  HIS  43           1HE      HIS  43  -3.619   7.340   8.901
  423    HE2  HIS  43           2HE      HIS  43  -4.318   6.729   6.572
  424    H    ARG  44           HN       ARG  44 -10.863   7.201   8.051
  425    HA   ARG  44           HA       ARG  44 -12.507   9.264   9.334
  426   1HB   ARG  44          2HB       ARG  44 -13.454   7.781   7.477
  427   2HB   ARG  44          1HB       ARG  44 -13.261   6.423   8.570
  428   1HG   ARG  44          2HG       ARG  44 -14.838   7.446  10.127
  429   2HG   ARG  44          1HG       ARG  44 -15.020   8.825   9.036
  430   1HD   ARG  44          2HD       ARG  44 -16.828   7.109   8.844
  431   2HD   ARG  44          1HD       ARG  44 -15.974   7.439   7.337
  432    HE   ARG  44           HE       ARG  44 -15.397   5.089   9.036
  433   1HH1  ARG  44          1HH1      ARG  44 -15.926   6.557   5.899
  434   2HH1  ARG  44          2HH1      ARG  44 -15.601   5.089   5.017
  435   1HH2  ARG  44          1HH2      ARG  44 -14.952   3.177   7.890
  436   2HH2  ARG  44          2HH2      ARG  44 -15.043   3.158   6.151
  437    H    LYS  45           HN       LYS  45 -13.846   7.360  11.059
  438    HA   LYS  45           HA       LYS  45 -12.080   7.261  13.227
  439   1HB   LYS  45          2HB       LYS  45 -14.495   7.304  13.500
  440   2HB   LYS  45          1HB       LYS  45 -14.642   5.740  12.716
  441   1HG   LYS  45          2HG       LYS  45 -13.656   4.621  14.550
  442   2HG   LYS  45          1HG       LYS  45 -13.124   6.141  15.278
  443   1HD   LYS  45          2HD       LYS  45 -15.424   6.795  15.670
  444   2HD   LYS  45          1HD       LYS  45 -16.004   5.341  14.856
  445   1HE   LYS  45          2HE       LYS  45 -14.222   5.223  17.273
  446   2HE   LYS  45          1HE       LYS  45 -15.976   5.331  17.407
  447   1HZ   LYS  45          1HZ       LYS  45 -14.505   3.192  15.950
  448   2HZ   LYS  45          2HZ       LYS  45 -16.185   3.287  16.173
  449   3HZ   LYS  45          3HZ       LYS  45 -15.164   3.039  17.505
  450    H    GLU  46           HN       GLU  46 -10.391   6.003  13.557
  451    HA   GLU  46           HA       GLU  46  -9.126   4.151  13.881
  452   1HB   GLU  46          2HB       GLU  46 -11.605   2.650  13.032
  453   2HB   GLU  46          1HB       GLU  46 -10.160   1.906  13.708
  454   1HG   GLU  46          2HG       GLU  46 -10.479   3.031  15.793
  455   2HG   GLU  46          1HG       GLU  46 -11.800   3.990  15.126
  456    H    ILE  47           HN       ILE  47  -8.792   5.526  11.556
  457    HA   ILE  47           HA       ILE  47  -8.030   5.518   9.434
  458    HB   ILE  47           HB       ILE  47  -6.114   4.188   8.970
  459   1HG1  ILE  47          2HG1      ILE  47  -6.848   2.476  11.365
  460   2HG1  ILE  47          1HG1      ILE  47  -6.992   1.983   9.679
  461   1HG2  ILE  47          1HG2      ILE  47  -4.781   4.644  10.973
  462   2HG2  ILE  47          2HG2      ILE  47  -6.258   4.863  11.908
  463   3HG2  ILE  47          3HG2      ILE  47  -5.874   5.978  10.598
  464   1HD1  ILE  47          1HD1      ILE  47  -4.397   2.757  10.993
  465   2HD1  ILE  47          2HD1      ILE  47  -4.623   2.043   9.391
  466   3HD1  ILE  47          3HD1      ILE  47  -4.985   1.101  10.837
  467    H    TYR  48           HN       TYR  48  -9.097   5.231   7.676
  468    HA   TYR  48           HA       TYR  48 -10.441   2.709   7.225
  469   1HB   TYR  48          2HB       TYR  48 -11.818   3.860   5.647
  470   2HB   TYR  48          1HB       TYR  48 -11.659   4.836   7.097
  471    HD1  TYR  48           1HD      TYR  48  -9.104   4.767   4.412
  472    HD2  TYR  48           2HD      TYR  48 -12.350   6.845   6.189
  473    HE1  TYR  48           1HE      TYR  48  -8.621   6.723   2.995
  474    HE2  TYR  48           2HE      TYR  48 -11.867   8.814   4.812
  475    HH   TYR  48           HH       TYR  48  -9.989   9.786   3.576
  476    H    LEU  49           HN       LEU  49  -7.501   3.876   6.492
  477    HA   LEU  49           HA       LEU  49  -7.396   2.804   3.747
  478   1HB   LEU  49          2HB       LEU  49  -6.319   5.187   4.972
  479   2HB   LEU  49          1HB       LEU  49  -5.013   4.184   4.370
  480    HG   LEU  49           HG       LEU  49  -7.346   5.073   2.681
  481   1HD1  LEU  49          1HD1      LEU  49  -4.580   6.249   2.933
  482   2HD1  LEU  49          2HD1      LEU  49  -6.095   7.023   3.393
  483   3HD1  LEU  49          3HD1      LEU  49  -5.760   6.682   1.696
  484   1HD2  LEU  49          1HD2      LEU  49  -6.235   3.047   1.904
  485   2HD2  LEU  49          2HD2      LEU  49  -4.674   3.860   1.982
  486   3HD2  LEU  49          3HD2      LEU  49  -5.893   4.401   0.826
  487    H    THR  50           HN       THR  50  -4.985   3.364   6.258
  488    HA   THR  50           HA       THR  50  -3.668   1.964   7.444
  489    HB   THR  50           HB       THR  50  -5.301  -0.247   6.228
  490    HG1  THR  50           1HG      THR  50  -6.592  -0.088   7.998
  491   1HG2  THR  50          1HG2      THR  50  -3.494  -0.249   8.646
  492   2HG2  THR  50          2HG2      THR  50  -3.190  -1.082   7.120
  493   3HG2  THR  50          3HG2      THR  50  -4.532  -1.586   8.148
  494    H    ILE  51           HN       ILE  51  -4.201   1.265   4.076
  495    HA   ILE  51           HA       ILE  51  -1.999  -0.421   3.627
  496    HB   ILE  51           HB       ILE  51  -2.897   1.435   1.448
  497   1HG1  ILE  51          2HG1      ILE  51  -4.538  -0.872   2.530
  498   2HG1  ILE  51          1HG1      ILE  51  -4.930   0.842   2.740
  499   1HG2  ILE  51          1HG2      ILE  51  -2.748  -0.628   0.125
  500   2HG2  ILE  51          2HG2      ILE  51  -2.309  -1.517   1.586
  501   3HG2  ILE  51          3HG2      ILE  51  -1.237  -0.263   0.962
  502   1HD1  ILE  51          1HD1      ILE  51  -6.259  -0.164   0.971
  503   2HD1  ILE  51          2HD1      ILE  51  -4.787  -0.636   0.120
  504   3HD1  ILE  51          3HD1      ILE  51  -5.180   1.070   0.323
  505    H    GLN  52           HN       GLN  52  -2.212   3.056   2.647
  506    HA   GLN  52           HA       GLN  52   0.688   3.098   2.729
  507   1HB   GLN  52          2HB       GLN  52   0.669   5.240   1.747
  508   2HB   GLN  52          1HB       GLN  52  -0.528   4.279   0.881
  509   1HG   GLN  52          2HG       GLN  52  -2.310   5.453   1.832
  510   2HG   GLN  52          1HG       GLN  52  -1.308   6.096   3.134
  511   1HE2  GLN  52          1HE2      GLN  52  -1.667   8.226   2.769
  512   2HE2  GLN  52          2HE2      GLN  52  -1.154   9.061   1.348
  513    H    GLU  53           HN       GLU  53  -1.655   3.458   4.971
  514    HA   GLU  53           HA       GLU  53  -0.389   5.566   6.465
  515   1HB   GLU  53          2HB       GLU  53  -2.468   5.656   7.234
  516   2HB   GLU  53          1HB       GLU  53  -2.837   4.077   6.606
  517   1HG   GLU  53          2HG       GLU  53  -3.234   3.823   8.856
  518   2HG   GLU  53          1HG       GLU  53  -1.597   3.204   8.690
  519    H    GLU  54           HN       GLU  54  -0.633   2.055   6.531
  520    HA   GLU  54           HA       GLU  54   1.281   1.639   8.572
  521   1HB   GLU  54          2HB       GLU  54   0.088  -0.050   6.380
  522   2HB   GLU  54          1HB       GLU  54   1.442  -0.667   7.349
  523   1HG   GLU  54          2HG       GLU  54  -1.318   0.106   8.262
  524   2HG   GLU  54          1HG       GLU  54  -0.542  -1.473   8.353
  525    H    ASN  55           HN       ASN  55   1.479   1.640   5.027
  526    HA   ASN  55           HA       ASN  55   4.321   1.399   4.930
  527   1HB   ASN  55          2HB       ASN  55   2.911   0.784   3.018
  528   2HB   ASN  55          1HB       ASN  55   2.377   2.454   2.866
  529   1HD2  ASN  55          1HD2      ASN  55   5.647   1.484   3.608
  530   2HD2  ASN  55          2HD2      ASN  55   6.357   2.028   2.119
  531    H    ASN  56           HN       ASN  56   3.063   4.035   3.123
  532    HA   ASN  56           HA       ASN  56   3.246   6.298   3.206
  533   1HB   ASN  56          2HB       ASN  56   2.301   6.063   5.450
  534   2HB   ASN  56          1HB       ASN  56   3.927   5.857   6.110
  535   1HD2  ASN  56          1HD2      ASN  56   1.555   8.065   5.008
  536   2HD2  ASN  56          2HD2      ASN  56   2.426   9.522   5.339
  537    H    ARG  57           HN       ARG  57   5.828   4.491   4.678
  538    HA   ARG  57           HA       ARG  57   7.814   6.419   3.752
  539   1HB   ARG  57          2HB       ARG  57   8.811   6.026   6.187
  540   2HB   ARG  57          1HB       ARG  57   7.629   7.296   5.875
  541   1HG   ARG  57          2HG       ARG  57   6.304   6.395   7.403
  542   2HG   ARG  57          1HG       ARG  57   6.159   4.964   6.373
  543   1HD   ARG  57          2HD       ARG  57   8.310   4.153   7.461
  544   2HD   ARG  57          1HD       ARG  57   8.068   5.437   8.649
  545    HE   ARG  57           HE       ARG  57   5.735   4.293   8.859
  546   1HH1  ARG  57          1HH1      ARG  57   8.841   2.720   8.521
  547   2HH1  ARG  57          2HH1      ARG  57   8.300   1.232   9.221
  548   1HH2  ARG  57          1HH2      ARG  57   5.027   2.357   9.804
  549   2HH2  ARG  57          2HH2      ARG  57   6.131   1.028   9.978
  550    H    ALA  58           HN       ALA  58   7.300   3.344   5.515
  551    HA   ALA  58           HA       ALA  58   9.296   2.044   3.927
  552   1HB   ALA  58          1HB       ALA  58  10.743   3.258   5.468
  553   2HB   ALA  58          2HB       ALA  58  10.848   1.519   5.738
  554   3HB   ALA  58          3HB       ALA  58   9.906   2.527   6.836
  555    H    ALA  59           HN       ALA  59   7.364   0.790   3.597
  556    HA   ALA  59           HA       ALA  59   6.754  -1.081   5.767
  557   1HB   ALA  59          1HB       ALA  59   4.876  -0.040   4.562
  558   2HB   ALA  59          2HB       ALA  59   4.877  -1.799   4.441
  559   3HB   ALA  59          3HB       ALA  59   5.425  -0.819   3.078
  560    H    ALA  60           HN       ALA  60   6.461  -3.395   5.078
  561    HA   ALA  60           HA       ALA  60   8.938  -4.233   3.758
  562   1HB   ALA  60          1HB       ALA  60   8.544  -6.385   4.812
  563   2HB   ALA  60          2HB       ALA  60   6.980  -5.824   5.404
  564   3HB   ALA  60          3HB       ALA  60   8.466  -5.085   6.002
  565    H    LEU  61           HN       LEU  61   8.306  -6.782   2.940
  566    HA   LEU  61           HA       LEU  61   6.453  -6.246   0.722
  567   1HB   LEU  61          2HB       LEU  61   7.719  -7.722  -0.644
  568   2HB   LEU  61          1HB       LEU  61   8.846  -6.636   0.140
  569    HG   LEU  61           HG       LEU  61   8.323  -9.425   1.160
  570   1HD1  LEU  61          1HD1      LEU  61  10.468  -8.510  -0.750
  571   2HD1  LEU  61          2HD1      LEU  61   9.109  -9.563  -1.145
  572   3HD1  LEU  61          3HD1      LEU  61  10.346 -10.107  -0.012
  573   1HD2  LEU  61          1HD2      LEU  61  10.589  -7.478   1.579
  574   2HD2  LEU  61          2HD2      LEU  61  10.520  -9.121   2.211
  575   3HD2  LEU  61          3HD2      LEU  61   9.356  -7.917   2.762
  576    H    SER  62           HN       SER  62   5.423  -8.230  -0.203
  577    HA   SER  62           HA       SER  62   3.889  -9.858  -0.032
  578   1HB   SER  62          2HB       SER  62   5.988 -10.888   1.854
  579   2HB   SER  62          1HB       SER  62   4.576 -11.836   1.385
  580    HG   SER  62           HG       SER  62   5.320 -11.995  -0.629
  581    H    SER  63           HN       SER  63   4.707 -10.323   3.360
  582    HA   SER  63           HA       SER  63   1.957  -9.942   4.079
  583   1HB   SER  63          2HB       SER  63   3.379 -11.734   5.068
  584   2HB   SER  63          1HB       SER  63   4.318 -10.478   5.877
  585    HG   SER  63           HG       SER  63   2.054  -9.827   6.655
  586    H    ASP  64           HN       ASP  64   4.741  -8.010   3.946
  587    HA   ASP  64           HA       ASP  64   5.430  -6.079   4.916
  588   1HB   ASP  64          2HB       ASP  64   3.735  -5.099   3.505
  589   2HB   ASP  64          1HB       ASP  64   2.478  -5.464   4.688
  590    H    VAL  65           HN       VAL  65   6.164  -6.844   6.850
  591    HA   VAL  65           HA       VAL  65   4.453  -7.220   9.084
  592    HB   VAL  65           HB       VAL  65   7.456  -6.800   9.043
  593   1HG1  VAL  65          1HG1      VAL  65   7.435  -7.925  11.218
  594   2HG1  VAL  65          2HG1      VAL  65   5.675  -8.011  11.161
  595   3HG1  VAL  65          3HG1      VAL  65   6.477  -6.444  11.257
  596   1HG2  VAL  65          1HG2      VAL  65   7.610  -9.242   9.124
  597   2HG2  VAL  65          2HG2      VAL  65   6.780  -8.703   7.663
  598   3HG2  VAL  65          3HG2      VAL  65   5.853  -9.361   9.012
  599    H    ILE  66           HN       ILE  66   7.236  -5.090   9.178
  600    HA   ILE  66           HA       ILE  66   5.707  -2.663   9.433
  601    HB   ILE  66           HB       ILE  66   7.304  -3.714  11.787
  602   1HG1  ILE  66          2HG1      ILE  66   4.442  -2.765  11.516
  603   2HG1  ILE  66          1HG1      ILE  66   4.974  -4.421  11.790
  604   1HG2  ILE  66          1HG2      ILE  66   6.241  -0.923  11.376
  605   2HG2  ILE  66          2HG2      ILE  66   7.939  -1.395  11.375
  606   3HG2  ILE  66          3HG2      ILE  66   6.986  -1.537  12.852
  607   1HD1  ILE  66          1HD1      ILE  66   5.297  -2.118  13.701
  608   2HD1  ILE  66          2HD1      ILE  66   5.836  -3.776  13.981
  609   3HD1  ILE  66          3HD1      ILE  66   4.114  -3.421  13.823
  610    H    SER  67           HN       SER  67   8.643  -4.454   9.229
  611    HA   SER  67           HA       SER  67  10.502  -4.120   7.987
  612   1HB   SER  67          2HB       SER  67   9.110  -2.773   6.434
  613   2HB   SER  67          1HB       SER  67   9.451  -1.343   7.404
  614    HG   SER  67           HG       SER  67  11.211  -1.152   6.288
  615    H    ALA  68           HN       ALA  68   9.709  -1.100   9.739
  616    HA   ALA  68           HA       ALA  68  12.473  -0.981  10.691
  617   1HB   ALA  68          1HB       ALA  68  11.844   1.202  11.610
  618   2HB   ALA  68          2HB       ALA  68  10.184   0.943  11.076
  619   3HB   ALA  68          3HB       ALA  68  11.478   1.090   9.888
  620    H    LEU  69           HN       LEU  69  12.999  -1.998  12.466
  621    HA   LEU  69           HA       LEU  69  13.045  -2.732  14.604
  622   1HB   LEU  69          2HB       LEU  69  10.487  -1.180  14.989
  623   2HB   LEU  69          1HB       LEU  69  11.486  -1.858  16.263
  624    HG   LEU  69           HG       LEU  69  12.354   0.315  14.351
  625   1HD1  LEU  69          1HD1      LEU  69  10.618   1.076  15.896
  626   2HD1  LEU  69          2HD1      LEU  69  12.179   1.796  16.283
  627   3HD1  LEU  69          3HD1      LEU  69  11.555   0.467  17.259
  628   1HD2  LEU  69          1HD2      LEU  69  14.223  -1.031  15.103
  629   2HD2  LEU  69          2HD2      LEU  69  13.696  -0.875  16.778
  630   3HD2  LEU  69          3HD2      LEU  69  14.260   0.544  15.897
  631    H    SER  70           HN       SER  70   9.830  -2.884  13.149
  632    HA   SER  70           HA       SER  70   8.399  -4.590  12.791
  633   1HB   SER  70          2HB       SER  70  10.660  -6.303  13.825
  634   2HB   SER  70          1HB       SER  70   9.150  -6.950  13.183
  635    HG   SER  70           HG       SER  70  11.258  -5.643  11.866
  636    H    SER  71           HN       SER  71  10.033  -5.335  15.898
  637    HA   SER  71           HA       SER  71   7.503  -5.908  17.146
  638   1HB   SER  71          2HB       SER  71  10.150  -5.360  18.508
  639   2HB   SER  71          1HB       SER  71   8.774  -6.253  19.160
  640    HG   SER  71           HG       SER  71   9.183  -7.639  17.159
  641    H    GLN  72           HN       GLN  72   9.836  -3.291  17.108
  642    HA   GLN  72           HA       GLN  72   9.726  -1.084  17.522
  643   1HB   GLN  72          2HB       GLN  72   6.782  -1.621  17.250
  644   2HB   GLN  72          1HB       GLN  72   7.417  -0.015  17.578
  645   1HG   GLN  72          2HG       GLN  72   8.806  -0.236  15.512
  646   2HG   GLN  72          1HG       GLN  72   7.932  -1.728  15.160
  647   1HE2  GLN  72          1HE2      GLN  72   5.399  -0.782  16.168
  648   2HE2  GLN  72          2HE2      GLN  72   4.808   0.375  15.017
  649    H    LYS  73           HN       LYS  73  10.507  -0.521  19.397
  650    HA   LYS  73           HA       LYS  73   9.307  -1.232  21.880
  651   1HB   LYS  73          2HB       LYS  73  11.025   0.244  22.890
  652   2HB   LYS  73          1HB       LYS  73  11.706  -0.946  21.795
  653   1HG   LYS  73          2HG       LYS  73  11.104   1.830  20.852
  654   2HG   LYS  73          1HG       LYS  73  12.587   1.471  21.733
  655   1HD   LYS  73          2HD       LYS  73  11.761  -0.090  19.303
  656   2HD   LYS  73          1HD       LYS  73  12.683   1.410  19.180
  657   1HE   LYS  73          2HE       LYS  73  13.509  -1.080  20.674
  658   2HE   LYS  73          1HE       LYS  73  14.166  -0.524  19.134
  659   1HZ   LYS  73          1HZ       LYS  73  14.467   0.713  21.806
  660   2HZ   LYS  73          2HZ       LYS  73  14.795   1.569  20.379
  661   3HZ   LYS  73          3HZ       LYS  73  15.684   0.173  20.755
  662    H    LYS  74           HN       LYS  74   7.530  -0.331  22.654
  663    HA   LYS  74           HA       LYS  74   7.025   2.506  22.049
  664   1HB   LYS  74          2HB       LYS  74   5.021   0.310  22.628
  665   2HB   LYS  74          1HB       LYS  74   4.621   1.998  22.346
  666   1HG   LYS  74          2HG       LYS  74   5.520   1.819  20.071
  667   2HG   LYS  74          1HG       LYS  74   5.892   0.120  20.362
  668   1HD   LYS  74          2HD       LYS  74   3.518  -0.341  20.728
  669   2HD   LYS  74          1HD       LYS  74   3.140   1.359  20.446
  670   1HE   LYS  74          2HE       LYS  74   4.037   1.164  18.169
  671   2HE   LYS  74          1HE       LYS  74   4.376  -0.542  18.456
  672   1HZ   LYS  74          1HZ       LYS  74   2.017  -0.932  18.765
  673   2HZ   LYS  74          2HZ       LYS  74   2.293  -0.220  17.255
  674   3HZ   LYS  74          3HZ       LYS  74   1.681   0.713  18.530
  Start of MODEL    9
    1    H    HIS  -9           H        HIS  -9  11.908  15.579 -16.599
    2    HA   HIS  -9           HA       HIS  -9  12.085  15.688 -19.556
    3   1HB   HIS  -9          2HB       HIS  -9  13.666  16.954 -17.755
    4   2HB   HIS  -9          1HB       HIS  -9  14.456  15.383 -17.779
    5    HD1  HIS  -9           1HD      HIS  -9  14.736  18.553 -19.284
    6    HD2  HIS  -9           2HD      HIS  -9  14.962  14.653 -20.726
    7    HE1  HIS  -9           1HE      HIS  -9  16.006  18.696 -21.453
    8    HE2  HIS  -9           2HE      HIS  -9  16.231  16.313 -22.244
    9    H    SER  -8           HN       SER  -8  14.402  13.952 -19.454
   10    HA   SER  -8           HA       SER  -8  13.177  11.453 -19.676
   11   1HB   SER  -8          2HB       SER  -8  15.709  10.722 -19.561
   12   2HB   SER  -8          1HB       SER  -8  15.110  11.662 -20.931
   13    HG   SER  -8           HG       SER  -8  17.065  12.518 -20.025
   14    H    SER  -7           HN       SER  -7  15.773  12.220 -17.349
   15    HA   SER  -7           HA       SER  -7  14.722  10.216 -15.539
   16   1HB   SER  -7          2HB       SER  -7  17.185  10.506 -15.892
   17   2HB   SER  -7          1HB       SER  -7  17.069  12.084 -15.118
   18    HG   SER  -7           HG       SER  -7  17.349   9.711 -13.964
   19    H    GLY  -6           HN       GLY  -6  12.694  11.511 -15.474
   20   1HA   GLY  -6          2HA       GLY  -6  12.823  13.436 -13.246
   21   2HA   GLY  -6          1HA       GLY  -6  11.465  13.265 -14.357
   22    H    HIS  -5           HN       HIS  -5  13.351  10.814 -12.695
   23    HA   HIS  -5           HA       HIS  -5  10.913   9.389 -12.114
   24   1HB   HIS  -5          2HB       HIS  -5  12.878   8.231 -13.017
   25   2HB   HIS  -5          1HB       HIS  -5  13.808   8.664 -11.590
   26    HD1  HIS  -5           1HD      HIS  -5  14.222   6.286 -10.780
   27    HD2  HIS  -5           2HD      HIS  -5  10.231   7.172 -11.427
   28    HE1  HIS  -5           1HE      HIS  -5  12.940   4.323  -9.857
   29    HE2  HIS  -5           2HE      HIS  -5  10.508   4.879 -10.247
   30    H    ILE  -4           HN       ILE  -4   9.804  10.121 -10.441
   31    HA   ILE  -4           HA       ILE  -4  11.143  11.155  -8.099
   32    HB   ILE  -4           HB       ILE  -4   9.201  12.361  -8.843
   33   1HG1  ILE  -4          2HG1      ILE  -4   7.804  12.317  -6.781
   34   2HG1  ILE  -4          1HG1      ILE  -4   8.638  10.848  -6.287
   35   1HG2  ILE  -4          1HG2      ILE  -4   6.954  11.395  -8.861
   36   2HG2  ILE  -4          2HG2      ILE  -4   7.636   9.815  -8.476
   37   3HG2  ILE  -4          3HG2      ILE  -4   8.025  10.593 -10.009
   38   1HD1  ILE  -4          1HD1      ILE  -4   9.929  13.532  -6.728
   39   2HD1  ILE  -4          2HD1      ILE  -4  10.745  12.062  -6.193
   40   3HD1  ILE  -4          3HD1      ILE  -4   9.530  12.819  -5.166
   41    H    GLU  -3           HN       GLU  -3  11.986   9.726  -6.759
   42    HA   GLU  -3           HA       GLU  -3  10.536   7.230  -6.263
   43   1HB   GLU  -3          2HB       GLU  -3  13.382   8.010  -5.600
   44   2HB   GLU  -3          1HB       GLU  -3  12.661   6.446  -5.243
   45   1HG   GLU  -3          2HG       GLU  -3  12.291   6.097  -7.654
   46   2HG   GLU  -3          1HG       GLU  -3  13.096   7.634  -7.972
   47    H    GLY  -2           HN       GLY  -2  10.212  10.078  -5.140
   48   1HA   GLY  -2          2HA       GLY  -2  10.359   9.534  -2.282
   49   2HA   GLY  -2          1HA       GLY  -2   9.827  11.036  -3.029
   50    H    ARG  -1           HN       ARG  -1   8.489   8.403  -4.514
   51    HA   ARG  -1           HA       ARG  -1   5.879   8.865  -3.305
   52   1HB   ARG  -1          2HB       ARG  -1   4.970   7.785  -5.203
   53   2HB   ARG  -1          1HB       ARG  -1   6.314   8.729  -5.835
   54   1HG   ARG  -1          2HG       ARG  -1   7.690   6.580  -5.564
   55   2HG   ARG  -1          1HG       ARG  -1   6.122   5.774  -5.407
   56   1HD   ARG  -1          2HD       ARG  -1   6.933   7.520  -7.733
   57   2HD   ARG  -1          1HD       ARG  -1   7.051   5.763  -7.719
   58    HE   ARG  -1           HE       ARG  -1   4.451   6.211  -7.098
   59   1HH1  ARG  -1          1HH1      ARG  -1   6.532   7.330  -9.693
   60   2HH1  ARG  -1          2HH1      ARG  -1   5.250   7.411 -10.857
   61   1HH2  ARG  -1          1HH2      ARG  -1   2.765   6.326  -8.627
   62   2HH2  ARG  -1          2HH2      ARG  -1   3.115   6.845 -10.262
   63    H    HIS   0           HN       HIS   0   4.530   6.833  -2.911
   64    HA   HIS   0           HA       HIS   0   6.193   4.587  -2.073
   65   1HB   HIS   0          2HB       HIS   0   4.897   4.404   0.066
   66   2HB   HIS   0          1HB       HIS   0   5.972   5.789  -0.030
   67    HD1  HIS   0           1HD      HIS   0   4.957   7.844   0.851
   68    HD2  HIS   0           2HD      HIS   0   2.112   5.286  -0.743
   69    HE1  HIS   0           1HE      HIS   0   2.743   8.962   1.277
   70    HE2  HIS   0           2HE      HIS   0   1.016   7.284   0.510
   71    H    MET   1           HN       MET   1   5.444   2.747  -2.806
   72    HA   MET   1           HA       MET   1   2.549   2.488  -3.275
   73   1HB   MET   1          2HB       MET   1   3.716   2.396  -5.389
   74   2HB   MET   1          1HB       MET   1   4.846   1.210  -4.763
   75   1HG   MET   1          2HG       MET   1   2.963  -0.372  -4.483
   76   2HG   MET   1          1HG       MET   1   1.909   0.814  -5.251
   77   1HE   MET   1          1HE       MET   1   1.184  -1.080  -7.037
   78   2HE   MET   1          2HE       MET   1   2.259  -2.208  -6.213
   79   3HE   MET   1          3HE       MET   1   2.357  -2.016  -7.964
   80    H    LEU   2           HN       LEU   2   1.625   1.219  -1.829
   81    HA   LEU   2           HA       LEU   2   3.266  -0.858  -0.534
   82   1HB   LEU   2          2HB       LEU   2   2.201   1.126   0.788
   83   2HB   LEU   2          1HB       LEU   2   0.699   0.246   0.576
   84    HG   LEU   2           HG       LEU   2   1.808  -0.119   2.788
   85   1HD1  LEU   2          1HD1      LEU   2   1.458  -2.514   2.870
   86   2HD1  LEU   2          2HD1      LEU   2   1.519  -2.599   1.111
   87   3HD1  LEU   2          3HD1      LEU   2   0.203  -1.739   1.906
   88   1HD2  LEU   2          1HD2      LEU   2   3.875  -1.542   1.125
   89   2HD2  LEU   2          2HD2      LEU   2   3.724  -1.668   2.875
   90   3HD2  LEU   2          3HD2      LEU   2   4.123  -0.120   2.135
   91    H    VAL   3           HN       VAL   3   2.718  -2.928  -0.884
   92    HA   VAL   3           HA       VAL   3   0.317  -3.444  -2.456
   93    HB   VAL   3           HB       VAL   3   1.539  -5.716  -2.735
   94   1HG1  VAL   3          1HG1      VAL   3   2.544  -3.194  -4.036
   95   2HG1  VAL   3          2HG1      VAL   3   1.141  -4.134  -4.539
   96   3HG1  VAL   3          3HG1      VAL   3   2.759  -4.825  -4.672
   97   1HG2  VAL   3          1HG2      VAL   3   3.269  -5.356  -1.069
   98   2HG2  VAL   3          2HG2      VAL   3   3.834  -3.937  -1.947
   99   3HG2  VAL   3          3HG2      VAL   3   3.982  -5.538  -2.670
  100    H    LEU   4           HN       LEU   4  -1.311  -4.541  -1.709
  101    HA   LEU   4           HA       LEU   4  -1.069  -5.992   0.846
  102   1HB   LEU   4          2HB       LEU   4  -3.282  -4.428  -0.423
  103   2HB   LEU   4          1HB       LEU   4  -3.697  -5.753   0.636
  104    HG   LEU   4           HG       LEU   4  -2.283  -3.179   1.321
  105   1HD1  LEU   4          1HD1      LEU   4  -4.077  -3.025   2.982
  106   2HD1  LEU   4          2HD1      LEU   4  -4.747  -4.545   2.387
  107   3HD1  LEU   4          3HD1      LEU   4  -4.698  -3.129   1.336
  108   1HD2  LEU   4          1HD2      LEU   4  -0.994  -4.882   2.429
  109   2HD2  LEU   4          2HD2      LEU   4  -2.460  -5.690   2.986
  110   3HD2  LEU   4          3HD2      LEU   4  -2.034  -4.099   3.619
  111    H    SER   5           HN       SER   5  -1.580  -8.138   0.868
  112    HA   SER   5           HA       SER   5  -1.926  -9.358  -1.745
  113   1HB   SER   5          2HB       SER   5  -1.441 -10.600   0.973
  114   2HB   SER   5          1HB       SER   5  -1.472 -11.475  -0.558
  115    HG   SER   5           HG       SER   5   0.512  -9.952   0.549
  116    H    ARG   6           HN       ARG   6  -3.865  -9.564  -2.510
  117    HA   ARG   6           HA       ARG   6  -6.044 -10.575  -0.855
  118   1HB   ARG   6          2HB       ARG   6  -6.227  -8.133  -0.659
  119   2HB   ARG   6          1HB       ARG   6  -6.154  -7.968  -2.406
  120   1HG   ARG   6          2HG       ARG   6  -8.409  -7.684  -1.737
  121   2HG   ARG   6          1HG       ARG   6  -8.291  -9.248  -2.539
  122   1HD   ARG   6          2HD       ARG   6  -9.677  -9.376  -0.539
  123   2HD   ARG   6          1HD       ARG   6  -8.228 -10.364  -0.379
  124    HE   ARG   6           HE       ARG   6  -7.342  -8.758   1.147
  125   1HH1  ARG   6          1HH1      ARG   6 -10.639  -8.053   0.158
  126   2HH1  ARG   6          2HH1      ARG   6 -11.005  -7.157   1.609
  127   1HH2  ARG   6          1HH2      ARG   6  -7.831  -7.573   3.027
  128   2HH2  ARG   6          2HH2      ARG   6  -9.409  -6.880   3.235
  129    H    LYS   7           HN       LYS   7  -7.025 -12.141  -2.036
  130    HA   LYS   7           HA       LYS   7  -6.005 -12.367  -4.772
  131   1HB   LYS   7          2HB       LYS   7  -6.999 -14.522  -2.902
  132   2HB   LYS   7          1HB       LYS   7  -6.368 -14.791  -4.523
  133   1HG   LYS   7          2HG       LYS   7  -4.512 -15.241  -3.265
  134   2HG   LYS   7          1HG       LYS   7  -4.272 -13.526  -3.595
  135   1HD   LYS   7          2HD       LYS   7  -5.619 -13.249  -1.349
  136   2HD   LYS   7          1HD       LYS   7  -5.056 -14.889  -1.062
  137   1HE   LYS   7          2HE       LYS   7  -2.731 -14.071  -1.526
  138   2HE   LYS   7          1HE       LYS   7  -3.381 -12.421  -1.552
  139   1HZ   LYS   7          1HZ       LYS   7  -3.538 -14.328   0.741
  140   2HZ   LYS   7          2HZ       LYS   7  -4.160 -12.751   0.730
  141   3HZ   LYS   7          3HZ       LYS   7  -2.483 -13.003   0.637
  142    H    ILE   8           HN       ILE   8  -8.446 -10.974  -3.777
  143    HA   ILE   8           HA       ILE   8 -10.537 -12.439  -5.196
  144    HB   ILE   8           HB       ILE   8 -10.914  -9.839  -3.724
  145   1HG1  ILE   8          2HG1      ILE   8 -10.931 -12.636  -2.543
  146   2HG1  ILE   8          1HG1      ILE   8  -9.757 -11.372  -2.183
  147   1HG2  ILE   8          1HG2      ILE   8 -13.192 -10.712  -3.406
  148   2HG2  ILE   8          2HG2      ILE   8 -12.751 -12.174  -4.290
  149   3HG2  ILE   8          3HG2      ILE   8 -12.763 -10.612  -5.115
  150   1HD1  ILE   8          1HD1      ILE   8 -12.704 -11.256  -1.562
  151   2HD1  ILE   8          2HD1      ILE   8 -11.504 -10.028  -1.161
  152   3HD1  ILE   8          3HD1      ILE   8 -11.419 -11.621  -0.412
  153    H    ASN   9           HN       ASN   9  -8.154 -10.288  -5.839
  154    HA   ASN   9           HA       ASN   9  -7.828  -8.431  -7.134
  155   1HB   ASN   9          2HB       ASN   9  -8.476  -8.787  -9.527
  156   2HB   ASN   9          1HB       ASN   9  -7.578 -10.116  -8.814
  157   1HD2  ASN   9          1HD2      ASN   9  -8.556 -12.098  -8.577
  158   2HD2  ASN   9          2HD2      ASN   9 -10.084 -12.484  -9.288
  159    H    GLU  10           HN       GLU  10  -9.649  -7.810  -5.414
  160    HA   GLU  10           HA       GLU  10 -12.012  -6.735  -6.692
  161   1HB   GLU  10          2HB       GLU  10 -12.546  -5.948  -4.381
  162   2HB   GLU  10          1HB       GLU  10 -12.314  -7.688  -4.495
  163   1HG   GLU  10          2HG       GLU  10 -10.067  -7.473  -3.594
  164   2HG   GLU  10          1HG       GLU  10 -10.246  -5.719  -3.529
  165    H    ALA  11           HN       ALA  11 -12.521  -4.392  -5.939
  166    HA   ALA  11           HA       ALA  11 -10.115  -2.782  -6.494
  167   1HB   ALA  11          1HB       ALA  11 -11.861  -2.616  -8.220
  168   2HB   ALA  11          2HB       ALA  11 -11.618  -1.077  -7.392
  169   3HB   ALA  11          3HB       ALA  11 -13.012  -2.078  -6.997
  170    H    ILE  12           HN       ILE  12  -9.648  -1.050  -5.161
  171    HA   ILE  12           HA       ILE  12 -11.081  -1.169  -2.604
  172    HB   ILE  12           HB       ILE  12  -8.271  -0.183  -3.098
  173   1HG1  ILE  12          2HG1      ILE  12  -8.446  -2.576  -3.593
  174   2HG1  ILE  12          1HG1      ILE  12  -7.533  -2.311  -2.111
  175   1HG2  ILE  12          1HG2      ILE  12  -9.289   0.774  -1.118
  176   2HG2  ILE  12          2HG2      ILE  12  -8.046  -0.391  -0.662
  177   3HG2  ILE  12          3HG2      ILE  12  -9.750  -0.831  -0.556
  178   1HD1  ILE  12          1HD1      ILE  12  -9.521  -2.889  -0.803
  179   2HD1  ILE  12          2HD1      ILE  12  -9.028  -4.195  -1.880
  180   3HD1  ILE  12          3HD1      ILE  12 -10.409  -3.181  -2.300
  181    H    GLN  13           HN       GLN  13 -12.461   0.369  -2.398
  182    HA   GLN  13           HA       GLN  13 -11.735   3.142  -3.119
  183   1HB   GLN  13          2HB       GLN  13 -13.535   2.476  -4.566
  184   2HB   GLN  13          1HB       GLN  13 -14.399   1.706  -3.245
  185   1HG   GLN  13          2HG       GLN  13 -15.563   3.685  -3.692
  186   2HG   GLN  13          1HG       GLN  13 -14.634   4.009  -2.231
  187   1HE2  GLN  13          1HE2      GLN  13 -12.906   5.449  -2.325
  188   2HE2  GLN  13          2HE2      GLN  13 -12.663   6.524  -3.665
  189    H    ILE  14           HN       ILE  14 -11.026   3.865  -1.198
  190    HA   ILE  14           HA       ILE  14 -12.773   3.371   1.105
  191    HB   ILE  14           HB       ILE  14 -10.791   3.653   2.569
  192   1HG1  ILE  14          2HG1      ILE  14  -9.424   4.766   0.671
  193   2HG1  ILE  14          1HG1      ILE  14  -8.600   3.687   1.787
  194   1HG2  ILE  14          1HG2      ILE  14 -10.728   1.362   0.616
  195   2HG2  ILE  14          2HG2      ILE  14 -11.690   1.465   2.089
  196   3HG2  ILE  14          3HG2      ILE  14  -9.931   1.382   2.188
  197   1HD1  ILE  14          1HD1      ILE  14  -8.685   1.903   0.136
  198   2HD1  ILE  14          2HD1      ILE  14  -7.878   3.335  -0.500
  199   3HD1  ILE  14          3HD1      ILE  14  -9.531   2.969  -0.983
  200    H    GLY  15           HN       GLY  15 -13.876   5.043   1.606
  201   1HA   GLY  15          2HA       GLY  15 -14.192   7.041   2.703
  202   2HA   GLY  15          1HA       GLY  15 -12.490   7.409   2.477
  203    H    ALA  16           HN       ALA  16 -11.935   7.656   0.072
  204    HA   ALA  16           HA       ALA  16 -13.332   8.726  -1.912
  205   1HB   ALA  16          1HB       ALA  16 -14.577  10.175  -0.353
  206   2HB   ALA  16          2HB       ALA  16 -13.644  11.119  -1.518
  207   3HB   ALA  16          3HB       ALA  16 -13.063  10.936   0.136
  208    H    ASP  17           HN       ASP  17 -10.625   8.782   0.129
  209    HA   ASP  17           HA       ASP  17  -9.108  10.689  -1.420
  210   1HB   ASP  17          2HB       ASP  17  -8.827  10.575   1.042
  211   2HB   ASP  17          1HB       ASP  17  -8.197   8.935   0.891
  212    H    ILE  18           HN       ILE  18  -9.364   7.202  -1.035
  213    HA   ILE  18           HA       ILE  18  -7.535   6.941  -3.316
  214    HB   ILE  18           HB       ILE  18  -7.404   5.303  -0.784
  215   1HG1  ILE  18          2HG1      ILE  18  -6.135   7.425  -0.791
  216   2HG1  ILE  18          1HG1      ILE  18  -5.070   6.025  -0.729
  217   1HG2  ILE  18          1HG2      ILE  18  -5.997   4.775  -3.403
  218   2HG2  ILE  18          2HG2      ILE  18  -7.301   3.806  -2.719
  219   3HG2  ILE  18          3HG2      ILE  18  -5.744   3.896  -1.895
  220   1HD1  ILE  18          1HD1      ILE  18  -4.186   7.710  -2.221
  221   2HD1  ILE  18          2HD1      ILE  18  -5.677   7.689  -3.163
  222   3HD1  ILE  18          3HD1      ILE  18  -4.635   6.268  -3.128
  223    H    GLU  19           HN       GLU  19  -8.510   5.999  -4.910
  224    HA   GLU  19           HA       GLU  19  -9.966   3.521  -4.395
  225   1HB   GLU  19          2HB       GLU  19 -11.562   4.099  -6.264
  226   2HB   GLU  19          1HB       GLU  19 -11.792   4.986  -4.770
  227   1HG   GLU  19          2HG       GLU  19 -10.263   6.101  -7.100
  228   2HG   GLU  19          1HG       GLU  19 -12.006   6.285  -6.918
  229    H    VAL  20           HN       VAL  20  -8.887   1.954  -5.389
  230    HA   VAL  20           HA       VAL  20  -8.246   1.851  -8.087
  231    HB   VAL  20           HB       VAL  20  -6.659   3.699  -7.503
  232   1HG1  VAL  20          1HG1      VAL  20  -5.288   1.570  -5.874
  233   2HG1  VAL  20          2HG1      VAL  20  -6.057   3.035  -5.260
  234   3HG1  VAL  20          3HG1      VAL  20  -4.611   3.152  -6.266
  235   1HG2  VAL  20          1HG2      VAL  20  -5.373   1.136  -8.429
  236   2HG2  VAL  20          2HG2      VAL  20  -4.740   2.761  -8.685
  237   3HG2  VAL  20          3HG2      VAL  20  -6.259   2.280  -9.437
  238    H    LYS  21           HN       LYS  21  -7.367  -0.137  -8.652
  239    HA   LYS  21           HA       LYS  21  -6.240  -1.781  -6.503
  240   1HB   LYS  21          2HB       LYS  21  -7.278  -3.757  -7.859
  241   2HB   LYS  21          1HB       LYS  21  -8.236  -2.901  -6.664
  242   1HG   LYS  21          2HG       LYS  21  -9.747  -2.955  -8.343
  243   2HG   LYS  21          1HG       LYS  21  -8.910  -1.465  -8.794
  244   1HD   LYS  21          2HD       LYS  21  -7.626  -2.617 -10.454
  245   2HD   LYS  21          1HD       LYS  21  -8.178  -4.189  -9.873
  246   1HE   LYS  21          2HE       LYS  21  -9.360  -3.622 -11.896
  247   2HE   LYS  21          1HE       LYS  21 -10.478  -3.586 -10.534
  248   1HZ   LYS  21          1HZ       LYS  21 -10.050  -1.119 -10.482
  249   2HZ   LYS  21          2HZ       LYS  21 -10.937  -1.688 -11.794
  250   3HZ   LYS  21          3HZ       LYS  21  -9.302  -1.292 -11.990
  251    H    VAL  22           HN       VAL  22  -4.177  -1.507  -7.069
  252    HA   VAL  22           HA       VAL  22  -3.410  -2.113  -9.828
  253    HB   VAL  22           HB       VAL  22  -1.647  -1.302  -7.499
  254   1HG1  VAL  22          1HG1      VAL  22   0.046  -0.866  -9.223
  255   2HG1  VAL  22          2HG1      VAL  22  -1.060  -1.478 -10.455
  256   3HG1  VAL  22          3HG1      VAL  22  -0.444  -2.561  -9.207
  257   1HG2  VAL  22          1HG2      VAL  22  -2.721   0.346  -9.781
  258   2HG2  VAL  22          2HG2      VAL  22  -1.554   0.897  -8.577
  259   3HG2  VAL  22          3HG2      VAL  22  -3.197   0.477  -8.088
  260    H    ILE  23           HN       ILE  23  -3.369  -4.213 -10.210
  261    HA   ILE  23           HA       ILE  23  -2.801  -6.054  -8.048
  262    HB   ILE  23           HB       ILE  23  -3.714  -6.602 -10.876
  263   1HG1  ILE  23          2HG1      ILE  23  -5.321  -6.684  -8.313
  264   2HG1  ILE  23          1HG1      ILE  23  -5.272  -5.263  -9.355
  265   1HG2  ILE  23          1HG2      ILE  23  -4.272  -8.834 -10.045
  266   2HG2  ILE  23          2HG2      ILE  23  -3.606  -8.417  -8.466
  267   3HG2  ILE  23          3HG2      ILE  23  -2.547  -8.504  -9.874
  268   1HD1  ILE  23          1HD1      ILE  23  -6.204  -6.605 -11.187
  269   2HD1  ILE  23          2HD1      ILE  23  -7.260  -6.576  -9.775
  270   3HD1  ILE  23          3HD1      ILE  23  -6.279  -8.002 -10.112
  271    H    ALA  24           HN       ALA  24  -1.011  -7.211  -7.851
  272    HA   ALA  24           HA       ALA  24   1.010  -6.982  -9.980
  273   1HB   ALA  24          1HB       ALA  24   1.501  -6.823  -7.005
  274   2HB   ALA  24          2HB       ALA  24   1.532  -5.461  -8.125
  275   3HB   ALA  24          3HB       ALA  24   2.732  -6.747  -8.267
  276    H    VAL  25           HN       VAL  25   2.733  -8.636  -9.794
  277    HA   VAL  25           HA       VAL  25   1.455 -11.210  -9.325
  278    HB   VAL  25           HB       VAL  25   4.118 -10.611 -10.625
  279   1HG1  VAL  25          1HG1      VAL  25   2.459 -13.130 -10.565
  280   2HG1  VAL  25          2HG1      VAL  25   4.008 -12.879  -9.762
  281   3HG1  VAL  25          3HG1      VAL  25   3.918 -12.895 -11.524
  282   1HG2  VAL  25          1HG2      VAL  25   2.943 -11.019 -12.746
  283   2HG2  VAL  25          2HG2      VAL  25   2.298  -9.618 -11.890
  284   3HG2  VAL  25          3HG2      VAL  25   1.422 -11.147 -11.865
  285    H    GLU  26           HN       GLU  26   1.675 -12.107  -7.434
  286    HA   GLU  26           HA       GLU  26   4.107 -11.685  -5.841
  287   1HB   GLU  26          2HB       GLU  26   1.806 -11.288  -4.868
  288   2HB   GLU  26          1HB       GLU  26   1.493 -13.005  -5.084
  289   1HG   GLU  26          2HG       GLU  26   2.091 -12.402  -2.772
  290   2HG   GLU  26          1HG       GLU  26   3.181 -13.586  -3.489
  291    H    GLY  27           HN       GLY  27   4.884 -13.149  -7.820
  292   1HA   GLY  27          2HA       GLY  27   5.802 -15.190  -8.397
  293   2HA   GLY  27          1HA       GLY  27   5.231 -15.829  -6.857
  294    H    ASP  28           HN       ASP  28   2.941 -16.356  -6.697
  295    HA   ASP  28           HA       ASP  28   1.529 -16.667  -9.236
  296   1HB   ASP  28          2HB       ASP  28   0.939 -18.958  -8.842
  297   2HB   ASP  28          1HB       ASP  28   2.687 -18.839  -8.679
  298    H    GLN  29           HN       GLN  29   1.502 -15.076  -6.688
  299    HA   GLN  29           HA       GLN  29  -1.287 -15.569  -5.880
  300   1HB   GLN  29          2HB       GLN  29   0.321 -15.811  -4.035
  301   2HB   GLN  29          1HB       GLN  29   0.979 -14.225  -4.394
  302   1HG   GLN  29          2HG       GLN  29  -0.999 -13.140  -3.650
  303   2HG   GLN  29          1HG       GLN  29  -1.864 -14.675  -3.537
  304   1HE2  GLN  29          1HE2      GLN  29   0.541 -12.623  -2.080
  305   2HE2  GLN  29          2HE2      GLN  29   0.612 -13.457  -0.570
  306    H    VAL  30           HN       VAL  30  -2.638 -13.712  -5.694
  307    HA   VAL  30           HA       VAL  30  -1.624 -11.460  -7.265
  308    HB   VAL  30           HB       VAL  30  -4.011 -10.962  -7.834
  309   1HG1  VAL  30          1HG1      VAL  30  -2.975 -13.673  -8.662
  310   2HG1  VAL  30          2HG1      VAL  30  -2.640 -12.131  -9.451
  311   3HG1  VAL  30          3HG1      VAL  30  -4.272 -12.798  -9.474
  312   1HG2  VAL  30          1HG2      VAL  30  -5.053 -12.125  -5.947
  313   2HG2  VAL  30          2HG2      VAL  30  -4.539 -13.671  -6.621
  314   3HG2  VAL  30          3HG2      VAL  30  -5.707 -12.676  -7.488
  315    H    LYS  31           HN       LYS  31  -1.538  -9.572  -6.402
  316    HA   LYS  31           HA       LYS  31  -3.049  -9.043  -3.964
  317   1HB   LYS  31          2HB       LYS  31  -1.081  -8.275  -2.817
  318   2HB   LYS  31          1HB       LYS  31  -0.780  -9.906  -3.433
  319   1HG   LYS  31          2HG       LYS  31   0.323  -8.769  -5.426
  320   2HG   LYS  31          1HG       LYS  31   0.243  -7.278  -4.498
  321   1HD   LYS  31          2HD       LYS  31   1.662  -9.811  -3.693
  322   2HD   LYS  31          1HD       LYS  31   2.422  -8.320  -4.250
  323   1HE   LYS  31          2HE       LYS  31   1.326  -7.169  -2.297
  324   2HE   LYS  31          1HE       LYS  31   0.877  -8.771  -1.711
  325   1HZ   LYS  31          1HZ       LYS  31   3.644  -7.807  -2.202
  326   2HZ   LYS  31          2HZ       LYS  31   3.235  -9.371  -1.694
  327   3HZ   LYS  31          3HZ       LYS  31   2.925  -8.039  -0.684
  328    H    LEU  32           HN       LEU  32  -3.453  -6.842  -3.572
  329    HA   LEU  32           HA       LEU  32  -3.310  -5.198  -5.988
  330   1HB   LEU  32          2HB       LEU  32  -5.054  -3.865  -5.020
  331   2HB   LEU  32          1HB       LEU  32  -5.507  -5.546  -4.906
  332    HG   LEU  32           HG       LEU  32  -4.360  -5.209  -2.464
  333   1HD1  LEU  32          1HD1      LEU  32  -3.968  -2.821  -2.868
  334   2HD1  LEU  32          2HD1      LEU  32  -5.084  -3.098  -1.530
  335   3HD1  LEU  32          3HD1      LEU  32  -5.700  -2.583  -3.099
  336   1HD2  LEU  32          1HD2      LEU  32  -6.636  -5.044  -1.600
  337   2HD2  LEU  32          2HD2      LEU  32  -6.537  -6.206  -2.922
  338   3HD2  LEU  32          3HD2      LEU  32  -7.220  -4.605  -3.205
  339    H    GLY  33           HN       GLY  33  -2.838  -2.852  -5.641
  340   1HA   GLY  33          2HA       GLY  33  -1.178  -2.321  -3.298
  341   2HA   GLY  33          1HA       GLY  33  -0.418  -2.217  -4.876
  342    H    ILE  34           HN       ILE  34  -1.047  -0.189  -2.736
  343    HA   ILE  34           HA       ILE  34  -2.392   1.685  -4.563
  344    HB   ILE  34           HB       ILE  34  -3.004   3.085  -2.703
  345   1HG1  ILE  34          2HG1      ILE  34  -1.962   1.091  -0.721
  346   2HG1  ILE  34          1HG1      ILE  34  -0.897   2.342  -1.364
  347   1HG2  ILE  34          1HG2      ILE  34  -4.546   1.309  -3.259
  348   2HG2  ILE  34          2HG2      ILE  34  -4.567   1.613  -1.521
  349   3HG2  ILE  34          3HG2      ILE  34  -3.710   0.211  -2.162
  350   1HD1  ILE  34          1HD1      ILE  34  -1.875   3.005   0.755
  351   2HD1  ILE  34          2HD1      ILE  34  -3.494   2.805   0.086
  352   3HD1  ILE  34          3HD1      ILE  34  -2.426   4.056  -0.549
  353    H    ASP  35           HN       ASP  35  -1.200   3.230  -5.399
  354    HA   ASP  35           HA       ASP  35   1.319   3.940  -4.063
  355   1HB   ASP  35          2HB       ASP  35   1.934   2.942  -6.128
  356   2HB   ASP  35          1HB       ASP  35   0.658   3.773  -7.002
  357    H    ALA  36           HN       ALA  36   1.473   5.973  -3.402
  358    HA   ALA  36           HA       ALA  36  -0.626   7.831  -4.300
  359   1HB   ALA  36          1HB       ALA  36  -1.081   7.006  -2.050
  360   2HB   ALA  36          2HB       ALA  36  -0.705   8.730  -2.030
  361   3HB   ALA  36          3HB       ALA  36   0.507   7.554  -1.519
  362    HA   PRO  37           HA       PRO  37   2.570  10.700  -5.285
  363   1HB   PRO  37          2HB       PRO  37   0.705  12.883  -4.745
  364   2HB   PRO  37          1HB       PRO  37   1.348  12.322  -6.289
  365   1HG   PRO  37          2HG       PRO  37  -1.241  11.982  -5.584
  366   2HG   PRO  37          1HG       PRO  37  -0.372  10.823  -6.608
  367   1HD   PRO  37          2HD       PRO  37  -0.981  10.684  -3.677
  368   2HD   PRO  37          1HD       PRO  37  -1.099   9.411  -4.913
  369    H    LYS  38           HN       LYS  38   1.905  10.040  -2.318
  370    HA   LYS  38           HA       LYS  38   3.091  10.377  -0.431
  371   1HB   LYS  38          2HB       LYS  38   4.944  10.823  -2.024
  372   2HB   LYS  38          1HB       LYS  38   4.571  12.539  -1.923
  373   1HG   LYS  38          2HG       LYS  38   6.464  11.820  -0.519
  374   2HG   LYS  38          1HG       LYS  38   5.153  12.571   0.397
  375   1HD   LYS  38          2HD       LYS  38   4.407  10.512   1.240
  376   2HD   LYS  38          1HD       LYS  38   5.320   9.598   0.033
  377   1HE   LYS  38          2HE       LYS  38   6.427   9.453   2.181
  378   2HE   LYS  38          1HE       LYS  38   7.416  10.365   1.045
  379   1HZ   LYS  38          1HZ       LYS  38   5.627  11.619   3.055
  380   2HZ   LYS  38          2HZ       LYS  38   6.773  12.401   2.073
  381   3HZ   LYS  38          3HZ       LYS  38   7.282  11.351   3.303
  382    H    HIS  39           HN       HIS  39   0.644  11.995  -1.168
  383    HA   HIS  39           HA       HIS  39   0.747  14.211   0.627
  384   1HB   HIS  39          2HB       HIS  39  -1.666  14.191   0.536
  385   2HB   HIS  39          1HB       HIS  39  -1.084  13.800  -1.079
  386    HD1  HIS  39           1HD      HIS  39  -0.427  10.773  -0.057
  387    HD2  HIS  39           2HD      HIS  39  -4.073  12.736   0.067
  388    HE1  HIS  39           1HE      HIS  39  -2.125   8.987   0.166
  389    HE2  HIS  39           2HE      HIS  39  -4.370  10.170   0.150
  390    H    ILE  40           HN       ILE  40  -1.346  13.664   2.408
  391    HA   ILE  40           HA       ILE  40  -0.154  11.683   4.193
  392    HB   ILE  40           HB       ILE  40  -1.392  12.735   6.004
  393   1HG1  ILE  40          2HG1      ILE  40  -3.232  13.466   4.276
  394   2HG1  ILE  40          1HG1      ILE  40  -2.984  14.394   5.757
  395   1HG2  ILE  40          1HG2      ILE  40   0.111  14.768   4.364
  396   2HG2  ILE  40          2HG2      ILE  40   0.818  13.609   5.491
  397   3HG2  ILE  40          3HG2      ILE  40  -0.240  14.891   6.088
  398   1HD1  ILE  40          1HD1      ILE  40  -3.284  15.873   3.877
  399   2HD1  ILE  40          2HD1      ILE  40  -1.971  15.085   3.004
  400   3HD1  ILE  40          3HD1      ILE  40  -1.627  16.004   4.471
  401    H    ASP  41           HN       ASP  41  -1.535  10.278   5.326
  402    HA   ASP  41           HA       ASP  41  -3.544   9.232   3.535
  403   1HB   ASP  41          2HB       ASP  41  -1.807   7.848   4.613
  404   2HB   ASP  41          1HB       ASP  41  -2.521   8.185   6.182
  405    H    ILE  42           HN       ILE  42  -5.519   9.969   3.619
  406    HA   ILE  42           HA       ILE  42  -6.608  11.218   5.997
  407    HB   ILE  42           HB       ILE  42  -7.951  10.757   3.325
  408   1HG1  ILE  42          2HG1      ILE  42  -5.838  11.995   3.075
  409   2HG1  ILE  42          1HG1      ILE  42  -7.237  13.003   2.713
  410   1HG2  ILE  42          1HG2      ILE  42  -8.546  12.711   5.548
  411   2HG2  ILE  42          2HG2      ILE  42  -9.510  11.299   5.109
  412   3HG2  ILE  42          3HG2      ILE  42  -9.367  12.654   3.989
  413   1HD1  ILE  42          1HD1      ILE  42  -5.647  13.022   5.270
  414   2HD1  ILE  42          2HD1      ILE  42  -7.060  14.021   4.931
  415   3HD1  ILE  42          3HD1      ILE  42  -5.585  14.233   3.989
  416    H    HIS  43           HN       HIS  43  -8.561  10.527   7.030
  417    HA   HIS  43           HA       HIS  43  -9.381   7.769   6.458
  418   1HB   HIS  43          2HB       HIS  43  -8.792   8.693   9.276
  419   2HB   HIS  43          1HB       HIS  43  -9.218   7.066   8.735
  420    HD1  HIS  43           1HD      HIS  43  -6.469   8.514  10.085
  421    HD2  HIS  43           2HD      HIS  43  -7.029   6.581   6.439
  422    HE1  HIS  43           1HE      HIS  43  -4.181   7.749   9.366
  423    HE2  HIS  43           2HE      HIS  43  -4.523   6.666   7.109
  424    H    ARG  44           HN       ARG  44 -11.342   7.179   7.866
  425    HA   ARG  44           HA       ARG  44 -13.204   9.426   7.552
  426   1HB   ARG  44          2HB       ARG  44 -13.705   7.168   6.541
  427   2HB   ARG  44          1HB       ARG  44 -13.893   6.553   8.179
  428   1HG   ARG  44          2HG       ARG  44 -16.057   7.049   7.297
  429   2HG   ARG  44          1HG       ARG  44 -15.680   8.235   8.550
  430   1HD   ARG  44          2HD       ARG  44 -14.860   9.733   6.666
  431   2HD   ARG  44          1HD       ARG  44 -15.639   8.597   5.564
  432    HE   ARG  44           HE       ARG  44 -17.169   9.919   7.710
  433   1HH1  ARG  44          1HH1      ARG  44 -16.664   9.203   4.317
  434   2HH1  ARG  44          2HH1      ARG  44 -18.125   9.988   3.800
  435   1HH2  ARG  44          1HH2      ARG  44 -19.101  10.918   7.041
  436   2HH2  ARG  44          2HH2      ARG  44 -19.539  10.921   5.361
  437    H    LYS  45           HN       LYS  45 -13.394   6.746   9.856
  438    HA   LYS  45           HA       LYS  45 -13.414   8.700  12.069
  439   1HB   LYS  45          2HB       LYS  45 -14.559   5.898  11.908
  440   2HB   LYS  45          1HB       LYS  45 -14.494   6.853  13.381
  441   1HG   LYS  45          2HG       LYS  45 -15.970   8.508  12.415
  442   2HG   LYS  45          1HG       LYS  45 -15.983   7.628  10.883
  443   1HD   LYS  45          2HD       LYS  45 -17.090   5.761  11.896
  444   2HD   LYS  45          1HD       LYS  45 -16.901   6.458  13.505
  445   1HE   LYS  45          2HE       LYS  45 -18.519   7.686  11.277
  446   2HE   LYS  45          1HE       LYS  45 -19.188   6.703  12.580
  447   1HZ   LYS  45          1HZ       LYS  45 -19.462   8.970  13.176
  448   2HZ   LYS  45          2HZ       LYS  45 -17.844   9.338  12.823
  449   3HZ   LYS  45          3HZ       LYS  45 -18.217   8.356  14.151
  450    H    GLU  46           HN       GLU  46 -12.538   5.378  11.295
  451    HA   GLU  46           HA       GLU  46 -10.010   5.723  12.758
  452   1HB   GLU  46          2HB       GLU  46 -11.584   3.820  13.396
  453   2HB   GLU  46          1HB       GLU  46 -11.266   3.136  11.810
  454   1HG   GLU  46          2HG       GLU  46  -8.955   2.828  12.333
  455   2HG   GLU  46          1HG       GLU  46  -9.134   3.705  13.854
  456    H    ILE  47           HN       ILE  47  -8.358   4.023  11.472
  457    HA   ILE  47           HA       ILE  47  -7.977   5.344   8.978
  458    HB   ILE  47           HB       ILE  47  -6.038   3.963   8.671
  459   1HG1  ILE  47          2HG1      ILE  47  -6.975   2.462  11.129
  460   2HG1  ILE  47          1HG1      ILE  47  -6.901   1.825   9.490
  461   1HG2  ILE  47          1HG2      ILE  47  -6.333   4.922  11.514
  462   2HG2  ILE  47          2HG2      ILE  47  -5.819   5.882  10.127
  463   3HG2  ILE  47          3HG2      ILE  47  -4.797   4.571  10.718
  464   1HD1  ILE  47          1HD1      ILE  47  -4.504   1.927   9.497
  465   2HD1  ILE  47          2HD1      ILE  47  -5.049   1.063  10.937
  466   3HD1  ILE  47          3HD1      ILE  47  -4.502   2.737  11.067
  467    H    TYR  48           HN       TYR  48  -9.006   4.911   7.189
  468    HA   TYR  48           HA       TYR  48 -10.339   2.355   6.901
  469   1HB   TYR  48          2HB       TYR  48 -11.642   3.416   5.129
  470   2HB   TYR  48          1HB       TYR  48 -11.653   4.366   6.607
  471    HD1  TYR  48           1HD      TYR  48  -8.872   4.462   4.157
  472    HD2  TYR  48           2HD      TYR  48 -12.357   6.365   5.662
  473    HE1  TYR  48           1HE      TYR  48  -8.333   6.474   2.854
  474    HE2  TYR  48           2HE      TYR  48 -11.822   8.384   4.377
  475    HH   TYR  48           HH       TYR  48  -9.141   8.456   2.105
  476    H    LEU  49           HN       LEU  49  -7.415   3.538   6.114
  477    HA   LEU  49           HA       LEU  49  -7.261   2.144   3.524
  478   1HB   LEU  49          2HB       LEU  49  -6.415   4.774   4.336
  479   2HB   LEU  49          1HB       LEU  49  -5.021   3.826   3.849
  480    HG   LEU  49           HG       LEU  49  -7.467   4.072   2.120
  481   1HD1  LEU  49          1HD1      LEU  49  -4.987   5.776   2.040
  482   2HD1  LEU  49          2HD1      LEU  49  -6.583   6.314   2.559
  483   3HD1  LEU  49          3HD1      LEU  49  -6.320   5.818   0.886
  484   1HD2  LEU  49          1HD2      LEU  49  -5.870   3.454   0.356
  485   2HD2  LEU  49          2HD2      LEU  49  -5.997   2.220   1.610
  486   3HD2  LEU  49          3HD2      LEU  49  -4.606   3.305   1.577
  487    H    THR  50           HN       THR  50  -4.873   3.286   5.874
  488    HA   THR  50           HA       THR  50  -3.480   2.152   7.287
  489    HB   THR  50           HB       THR  50  -4.841  -0.364   6.338
  490    HG1  THR  50           1HG      THR  50  -6.452   0.111   7.600
  491   1HG2  THR  50          1HG2      THR  50  -3.296   0.205   8.868
  492   2HG2  THR  50          2HG2      THR  50  -2.723  -0.763   7.511
  493   3HG2  THR  50          3HG2      THR  50  -4.095  -1.315   8.467
  494    H    ILE  51           HN       ILE  51  -3.847   1.282   3.985
  495    HA   ILE  51           HA       ILE  51  -1.621  -0.428   3.697
  496    HB   ILE  51           HB       ILE  51  -2.554   1.332   1.444
  497   1HG1  ILE  51          2HG1      ILE  51  -4.010  -1.083   2.542
  498   2HG1  ILE  51          1HG1      ILE  51  -4.562   0.582   2.640
  499   1HG2  ILE  51          1HG2      ILE  51  -0.722  -0.228   1.044
  500   2HG2  ILE  51          2HG2      ILE  51  -2.160  -0.699   0.142
  501   3HG2  ILE  51          3HG2      ILE  51  -1.724  -1.563   1.615
  502   1HD1  ILE  51          1HD1      ILE  51  -4.160  -0.977   0.098
  503   2HD1  ILE  51          2HD1      ILE  51  -4.762   0.677   0.222
  504   3HD1  ILE  51          3HD1      ILE  51  -5.708  -0.657   0.880
  505    H    GLN  52           HN       GLN  52  -2.006   3.040   2.876
  506    HA   GLN  52           HA       GLN  52   0.867   3.255   2.659
  507   1HB   GLN  52          2HB       GLN  52   0.583   5.463   1.904
  508   2HB   GLN  52          1HB       GLN  52  -0.738   4.552   1.181
  509   1HG   GLN  52          2HG       GLN  52  -2.264   5.408   2.868
  510   2HG   GLN  52          1HG       GLN  52  -0.940   6.288   3.631
  511   1HE2  GLN  52          1HE2      GLN  52  -3.356   7.384   2.624
  512   2HE2  GLN  52          2HE2      GLN  52  -2.939   8.463   1.342
  513    H    GLU  53           HN       GLU  53  -1.517   3.649   5.095
  514    HA   GLU  53           HA       GLU  53  -0.126   5.438   6.784
  515   1HB   GLU  53          2HB       GLU  53  -2.524   4.673   7.086
  516   2HB   GLU  53          1HB       GLU  53  -1.886   3.140   7.662
  517   1HG   GLU  53          2HG       GLU  53  -2.502   4.568   9.519
  518   2HG   GLU  53          1HG       GLU  53  -0.767   4.266   9.500
  519    H    GLU  54           HN       GLU  54  -0.152   1.926   6.464
  520    HA   GLU  54           HA       GLU  54   1.902   1.247   8.210
  521   1HB   GLU  54          2HB       GLU  54   0.832   0.105   5.653
  522   2HB   GLU  54          1HB       GLU  54   2.323  -0.563   6.326
  523   1HG   GLU  54          2HG       GLU  54  -0.329  -0.373   7.751
  524   2HG   GLU  54          1HG       GLU  54   0.320  -1.820   6.985
  525    H    ASN  55           HN       ASN  55   2.049   2.085   4.784
  526    HA   ASN  55           HA       ASN  55   4.946   2.032   4.753
  527   1HB   ASN  55          2HB       ASN  55   3.524   1.206   2.865
  528   2HB   ASN  55          1HB       ASN  55   2.995   2.857   2.586
  529   1HD2  ASN  55          1HD2      ASN  55   4.368   1.040   0.813
  530   2HD2  ASN  55          2HD2      ASN  55   5.838   1.833   0.342
  531    H    ASN  56           HN       ASN  56   3.294   4.452   2.941
  532    HA   ASN  56           HA       ASN  56   3.258   6.702   2.901
  533   1HB   ASN  56          2HB       ASN  56   2.477   6.398   5.281
  534   2HB   ASN  56          1HB       ASN  56   4.136   6.710   5.779
  535   1HD2  ASN  56          1HD2      ASN  56   3.553   8.575   6.876
  536   2HD2  ASN  56          2HD2      ASN  56   3.105  10.037   6.065
  537    H    ARG  57           HN       ARG  57   6.035   4.985   3.645
  538    HA   ARG  57           HA       ARG  57   7.697   7.070   2.523
  539   1HB   ARG  57          2HB       ARG  57   9.395   6.756   4.385
  540   2HB   ARG  57          1HB       ARG  57   7.949   7.662   4.807
  541   1HG   ARG  57          2HG       ARG  57   7.008   5.644   5.852
  542   2HG   ARG  57          1HG       ARG  57   8.491   4.771   5.464
  543   1HD   ARG  57          2HD       ARG  57   8.272   7.201   7.229
  544   2HD   ARG  57          1HD       ARG  57   8.474   5.538   7.779
  545    HE   ARG  57           HE       ARG  57  10.559   6.220   5.993
  546   1HH1  ARG  57          1HH1      ARG  57   9.450   6.754   9.272
  547   2HH1  ARG  57          2HH1      ARG  57  11.025   7.174   9.881
  548   1HH2  ARG  57          1HH2      ARG  57  12.641   6.729   6.777
  549   2HH2  ARG  57          2HH2      ARG  57  12.855   7.137   8.456
  550    H    ALA  58           HN       ALA  58   7.912   3.933   4.185
  551    HA   ALA  58           HA       ALA  58   8.494   2.323   2.024
  552   1HB   ALA  58          1HB       ALA  58  10.533   3.645   1.697
  553   2HB   ALA  58          2HB       ALA  58  10.915   1.985   2.154
  554   3HB   ALA  58          3HB       ALA  58  11.040   3.279   3.347
  555    H    ALA  59           HN       ALA  59   7.062   1.226   3.508
  556    HA   ALA  59           HA       ALA  59   8.289   0.316   6.005
  557   1HB   ALA  59          1HB       ALA  59   5.419   0.126   5.141
  558   2HB   ALA  59          2HB       ALA  59   6.104   1.408   6.143
  559   3HB   ALA  59          3HB       ALA  59   6.071  -0.256   6.735
  560    H    ALA  60           HN       ALA  60   8.182  -1.805   6.696
  561    HA   ALA  60           HA       ALA  60   8.152  -3.870   4.633
  562   1HB   ALA  60          1HB       ALA  60   9.956  -3.897   6.276
  563   2HB   ALA  60          2HB       ALA  60   8.951  -5.338   6.434
  564   3HB   ALA  60          3HB       ALA  60   8.778  -4.011   7.584
  565    H    LEU  61           HN       LEU  61   7.268  -6.002   6.155
  566    HA   LEU  61           HA       LEU  61   5.444  -7.192   6.701
  567   1HB   LEU  61          2HB       LEU  61   5.403  -5.496   8.520
  568   2HB   LEU  61          1HB       LEU  61   4.252  -4.574   7.576
  569    HG   LEU  61           HG       LEU  61   2.667  -6.470   7.685
  570   1HD1  LEU  61          1HD1      LEU  61   3.105  -8.292   9.277
  571   2HD1  LEU  61          2HD1      LEU  61   4.745  -7.685   9.502
  572   3HD1  LEU  61          3HD1      LEU  61   4.240  -8.296   7.927
  573   1HD2  LEU  61          1HD2      LEU  61   2.063  -6.194  10.026
  574   2HD2  LEU  61          2HD2      LEU  61   2.545  -4.654   9.317
  575   3HD2  LEU  61          3HD2      LEU  61   3.658  -5.525  10.372
  576    H    SER  62           HN       SER  62   5.507  -5.096   4.234
  577    HA   SER  62           HA       SER  62   2.821  -5.277   3.299
  578   1HB   SER  62          2HB       SER  62   4.465  -3.466   2.682
  579   2HB   SER  62          1HB       SER  62   5.333  -4.664   1.725
  580    HG   SER  62           HG       SER  62   2.687  -4.656   1.118
  581    H    SER  63           HN       SER  63   3.510  -7.753   4.041
  582    HA   SER  63           HA       SER  63   3.591  -9.921   3.476
  583   1HB   SER  63          2HB       SER  63   3.275  -8.886   0.662
  584   2HB   SER  63          1HB       SER  63   3.144 -10.583   1.127
  585    HG   SER  63           HG       SER  63   1.567  -8.968   2.655
  586    H    ASP  64           HN       ASP  64   5.771  -7.754   1.765
  587    HA   ASP  64           HA       ASP  64   7.710  -9.778   1.197
  588   1HB   ASP  64          2HB       ASP  64   7.569  -7.490   0.081
  589   2HB   ASP  64          1HB       ASP  64   8.278  -6.826   1.548
  590    H    VAL  65           HN       VAL  65   7.270 -10.655   3.381
  591    HA   VAL  65           HA       VAL  65   9.506 -10.101   5.107
  592    HB   VAL  65           HB       VAL  65   6.660  -9.688   6.005
  593   1HG1  VAL  65          1HG1      VAL  65   7.646 -11.329   7.533
  594   2HG1  VAL  65          2HG1      VAL  65   7.437  -9.776   8.340
  595   3HG1  VAL  65          3HG1      VAL  65   9.035 -10.275   7.786
  596   1HG2  VAL  65          1HG2      VAL  65   7.598  -7.694   7.094
  597   2HG2  VAL  65          2HG2      VAL  65   7.889  -7.692   5.356
  598   3HG2  VAL  65          3HG2      VAL  65   9.191  -8.114   6.466
  599    H    ILE  66           HN       ILE  66   6.366 -11.700   5.020
  600    HA   ILE  66           HA       ILE  66   7.703 -14.280   5.326
  601    HB   ILE  66           HB       ILE  66   5.475 -14.943   6.561
  602   1HG1  ILE  66          2HG1      ILE  66   4.758 -13.008   8.058
  603   2HG1  ILE  66          1HG1      ILE  66   5.579 -11.940   6.928
  604   1HG2  ILE  66          1HG2      ILE  66   7.667 -13.350   7.880
  605   2HG2  ILE  66          2HG2      ILE  66   7.665 -15.085   7.561
  606   3HG2  ILE  66          3HG2      ILE  66   6.522 -14.398   8.717
  607   1HD1  ILE  66          1HD1      ILE  66   3.205 -11.984   6.502
  608   2HD1  ILE  66          2HD1      ILE  66   3.245 -13.736   6.311
  609   3HD1  ILE  66          3HD1      ILE  66   4.077 -12.704   5.148
  610    H    SER  67           HN       SER  67   5.324 -12.376   3.791
  611    HA   SER  67           HA       SER  67   3.850 -12.653   2.122
  612   1HB   SER  67          2HB       SER  67   5.944 -13.011   0.946
  613   2HB   SER  67          1HB       SER  67   5.888 -14.726   1.334
  614    HG   SER  67           HG       SER  67   5.095 -13.993  -0.826
  615    H    ALA  68           HN       ALA  68   4.599 -16.035   1.746
  616    HA   ALA  68           HA       ALA  68   1.879 -16.764   2.372
  617   1HB   ALA  68          1HB       ALA  68   3.067 -17.839   0.510
  618   2HB   ALA  68          2HB       ALA  68   2.554 -19.017   1.720
  619   3HB   ALA  68          3HB       ALA  68   4.239 -18.501   1.650
  620    H    LEU  69           HN       LEU  69   1.206 -17.151   4.327
  621    HA   LEU  69           HA       LEU  69   1.056 -17.861   6.467
  622   1HB   LEU  69          2HB       LEU  69   3.743 -19.171   6.046
  623   2HB   LEU  69          1HB       LEU  69   2.619 -19.493   7.355
  624    HG   LEU  69           HG       LEU  69   2.099 -20.060   4.436
  625   1HD1  LEU  69          1HD1      LEU  69   2.798 -21.906   6.718
  626   2HD1  LEU  69          2HD1      LEU  69   3.814 -21.527   5.326
  627   3HD1  LEU  69          3HD1      LEU  69   2.306 -22.417   5.104
  628   1HD2  LEU  69          1HD2      LEU  69   0.055 -19.569   5.655
  629   2HD2  LEU  69          2HD2      LEU  69   0.500 -20.729   6.906
  630   3HD2  LEU  69          3HD2      LEU  69   0.147 -21.288   5.272
  631    H    SER  70           HN       SER  70   1.122 -16.111   7.694
  632    HA   SER  70           HA       SER  70   3.500 -14.524   8.041
  633   1HB   SER  70          2HB       SER  70   1.986 -13.382   9.785
  634   2HB   SER  70          1HB       SER  70   1.464 -13.317   8.101
  635    HG   SER  70           HG       SER  70  -0.229 -14.457   8.585
  636    H    SER  71           HN       SER  71   1.833 -17.068   9.738
  637    HA   SER  71           HA       SER  71   3.589 -16.775  12.049
  638   1HB   SER  71          2HB       SER  71   2.030 -18.631  12.955
  639   2HB   SER  71          1HB       SER  71   1.356 -17.013  12.750
  640    HG   SER  71           HG       SER  71   0.797 -19.368  11.388
  641    H    GLN  72           HN       GLN  72   4.678 -17.700   9.569
  642    HA   GLN  72           HA       GLN  72   5.061 -20.521   9.693
  643   1HB   GLN  72          2HB       GLN  72   6.956 -20.071   8.108
  644   2HB   GLN  72          1HB       GLN  72   5.402 -19.446   7.578
  645   1HG   GLN  72          2HG       GLN  72   6.032 -17.213   8.288
  646   2HG   GLN  72          1HG       GLN  72   7.576 -17.822   8.880
  647   1HE2  GLN  72          1HE2      GLN  72   5.649 -17.137   6.075
  648   2HE2  GLN  72          2HE2      GLN  72   6.947 -17.146   4.929
  649    H    LYS  73           HN       LYS  73   6.508 -21.685  10.800
  650    HA   LYS  73           HA       LYS  73   8.070 -20.307  12.817
  651   1HB   LYS  73          2HB       LYS  73   7.310 -23.154  12.315
  652   2HB   LYS  73          1HB       LYS  73   8.721 -22.823  13.309
  653   1HG   LYS  73          2HG       LYS  73   6.825 -23.133  14.729
  654   2HG   LYS  73          1HG       LYS  73   7.305 -21.440  14.791
  655   1HD   LYS  73          2HD       LYS  73   4.898 -21.599  14.677
  656   2HD   LYS  73          1HD       LYS  73   5.513 -20.906  13.177
  657   1HE   LYS  73          2HE       LYS  73   3.753 -22.549  12.755
  658   2HE   LYS  73          1HE       LYS  73   5.295 -23.057  12.071
  659   1HZ   LYS  73          1HZ       LYS  73   5.606 -24.603  13.836
  660   2HZ   LYS  73          2HZ       LYS  73   4.032 -24.834  13.247
  661   3HZ   LYS  73          3HZ       LYS  73   4.279 -23.995  14.702
  662    H    LYS  74           HN       LYS  74  10.061 -19.679  12.499
  663    HA   LYS  74           HA       LYS  74  11.875 -21.271  10.857
  664   1HB   LYS  74          2HB       LYS  74  10.792 -19.545   9.382
  665   2HB   LYS  74          1HB       LYS  74  11.500 -18.306  10.410
  666   1HG   LYS  74          2HG       LYS  74  13.742 -19.338   9.878
  667   2HG   LYS  74          1HG       LYS  74  12.909 -20.271   8.632
  668   1HD   LYS  74          2HD       LYS  74  13.814 -18.312   7.597
  669   2HD   LYS  74          1HD       LYS  74  12.062 -18.117   7.688
  670   1HE   LYS  74          2HE       LYS  74  12.541 -16.890   9.907
  671   2HE   LYS  74          1HE       LYS  74  14.201 -16.788   9.320
  672   1HZ   LYS  74          1HZ       LYS  74  13.296 -15.716   7.286
  673   2HZ   LYS  74          2HZ       LYS  74  13.070 -14.808   8.702
  674   3HZ   LYS  74          3HZ       LYS  74  11.773 -15.671   8.034
  Start of MODEL   10
    1    H    HIS  -9           H        HIS  -9  18.335  12.365 -18.728
    2    HA   HIS  -9           HA       HIS  -9  16.121  11.734 -18.028
    3   1HB   HIS  -9          2HB       HIS  -9  16.649  11.125 -15.772
    4   2HB   HIS  -9          1HB       HIS  -9  18.151  11.088 -16.683
    5    HD1  HIS  -9           1HD      HIS  -9  16.497  12.693 -13.786
    6    HD2  HIS  -9           2HD      HIS  -9  19.979  13.200 -16.011
    7    HE1  HIS  -9           1HE      HIS  -9  17.981  14.178 -12.402
    8    HE2  HIS  -9           2HE      HIS  -9  20.028  14.572 -13.817
    9    H    SER  -8           HN       SER  -8  14.206  12.213 -17.054
   10    HA   SER  -8           HA       SER  -8  13.955  14.719 -15.588
   11   1HB   SER  -8          2HB       SER  -8  13.520  15.274 -17.984
   12   2HB   SER  -8          1HB       SER  -8  12.210  14.097 -17.987
   13    HG   SER  -8           HG       SER  -8  12.382  16.588 -16.677
   14    H    SER  -7           HN       SER  -7  11.528  12.598 -17.103
   15    HA   SER  -7           HA       SER  -7  10.361  12.116 -14.492
   16   1HB   SER  -7          2HB       SER  -7   8.606  10.911 -15.888
   17   2HB   SER  -7          1HB       SER  -7   8.777  12.641 -16.185
   18    HG   SER  -7           HG       SER  -7   9.536  10.455 -17.785
   19    H    GLY  -6           HN       GLY  -6   9.345   9.602 -14.601
   20   1HA   GLY  -6          2HA       GLY  -6   9.933   7.393 -14.241
   21   2HA   GLY  -6          1HA       GLY  -6  11.357   7.660 -15.244
   22    H    HIS  -5           HN       HIS  -5  10.762   9.807 -12.676
   23    HA   HIS  -5           HA       HIS  -5  13.025   8.680 -11.175
   24   1HB   HIS  -5          2HB       HIS  -5  13.433  10.894 -12.207
   25   2HB   HIS  -5          1HB       HIS  -5  12.047  11.546 -11.353
   26    HD1  HIS  -5           1HD      HIS  -5  15.593  10.450 -10.837
   27    HD2  HIS  -5           2HD      HIS  -5  12.500  12.228  -8.706
   28    HE1  HIS  -5           1HE      HIS  -5  16.644  11.343  -8.737
   29    HE2  HIS  -5           2HE      HIS  -5  14.813  12.660  -7.623
   30    H    ILE  -4           HN       ILE  -4  12.704   8.155  -9.078
   31    HA   ILE  -4           HA       ILE  -4  10.014   8.225  -8.051
   32    HB   ILE  -4           HB       ILE  -4  11.357   6.272  -7.583
   33   1HG1  ILE  -4          2HG1      ILE  -4  11.165   6.185  -5.090
   34   2HG1  ILE  -4          1HG1      ILE  -4  10.806   7.908  -5.105
   35   1HG2  ILE  -4          1HG2      ILE  -4  13.319   6.342  -6.110
   36   2HG2  ILE  -4          2HG2      ILE  -4  13.245   8.104  -6.119
   37   3HG2  ILE  -4          3HG2      ILE  -4  13.572   7.229  -7.614
   38   1HD1  ILE  -4          1HD1      ILE  -4   9.179   5.758  -6.436
   39   2HD1  ILE  -4          2HD1      ILE  -4   8.811   7.485  -6.439
   40   3HD1  ILE  -4          3HD1      ILE  -4   8.782   6.577  -4.924
   41    H    GLU  -3           HN       GLU  -3   9.144   9.901  -7.068
   42    HA   GLU  -3           HA       GLU  -3  10.861  12.049  -6.113
   43   1HB   GLU  -3          2HB       GLU  -3   7.932  12.301  -5.883
   44   2HB   GLU  -3          1HB       GLU  -3   9.107  13.447  -6.509
   45   1HG   GLU  -3          2HG       GLU  -3   7.992  12.969  -8.422
   46   2HG   GLU  -3          1HG       GLU  -3   9.210  11.696  -8.486
   47    H    GLY  -2           HN       GLY  -2  10.180   9.385  -4.738
   48   1HA   GLY  -2          2HA       GLY  -2  10.222   8.827  -2.470
   49   2HA   GLY  -2          1HA       GLY  -2   9.853  10.504  -2.077
   50    H    ARG  -1           HN       ARG  -1   8.008   8.528  -4.341
   51    HA   ARG  -1           HA       ARG  -1   5.651   9.065  -2.729
   52   1HB   ARG  -1          2HB       ARG  -1   4.346   8.394  -4.578
   53   2HB   ARG  -1          1HB       ARG  -1   5.690   9.292  -5.270
   54   1HG   ARG  -1          2HG       ARG  -1   6.774   7.267  -5.953
   55   2HG   ARG  -1          1HG       ARG  -1   5.587   6.293  -5.076
   56   1HD   ARG  -1          2HD       ARG  -1   5.208   6.390  -7.537
   57   2HD   ARG  -1          1HD       ARG  -1   3.844   6.943  -6.569
   58    HE   ARG  -1           HE       ARG  -1   5.694   8.963  -7.569
   59   1HH1  ARG  -1          1HH1      ARG  -1   2.591   7.334  -7.846
   60   2HH1  ARG  -1          2HH1      ARG  -1   1.890   8.591  -8.819
   61   1HH2  ARG  -1          1HH2      ARG  -1   4.781  10.594  -8.824
   62   2HH2  ARG  -1          2HH2      ARG  -1   3.145  10.449  -9.405
   63    H    HIS   0           HN       HIS   0   4.054   7.176  -2.537
   64    HA   HIS   0           HA       HIS   0   5.589   4.824  -1.714
   65   1HB   HIS   0          2HB       HIS   0   3.978   4.569   0.185
   66   2HB   HIS   0          1HB       HIS   0   5.051   5.955   0.302
   67    HD1  HIS   0           1HD      HIS   0   3.939   8.051   0.935
   68    HD2  HIS   0           2HD      HIS   0   1.313   5.385  -0.848
   69    HE1  HIS   0           1HE      HIS   0   1.700   9.172   1.018
   70    HE2  HIS   0           2HE      HIS   0   0.096   7.412   0.221
   71    H    MET   1           HN       MET   1   5.000   3.072  -2.782
   72    HA   MET   1           HA       MET   1   2.139   2.715  -3.360
   73   1HB   MET   1          2HB       MET   1   3.396   2.783  -5.431
   74   2HB   MET   1          1HB       MET   1   4.535   1.595  -4.825
   75   1HG   MET   1          2HG       MET   1   2.772  -0.086  -4.775
   76   2HG   MET   1          1HG       MET   1   1.618   1.106  -5.371
   77   1HE   MET   1          1HE       MET   1   0.949  -0.576  -7.349
   78   2HE   MET   1          2HE       MET   1   2.109  -1.734  -6.698
   79   3HE   MET   1          3HE       MET   1   2.136  -1.328  -8.415
   80    H    LEU   2           HN       LEU   2   1.323   1.512  -1.772
   81    HA   LEU   2           HA       LEU   2   3.038  -0.562  -0.592
   82   1HB   LEU   2          2HB       LEU   2   1.952   1.320   0.815
   83   2HB   LEU   2          1HB       LEU   2   0.459   0.428   0.589
   84    HG   LEU   2           HG       LEU   2   1.754   0.027   2.766
   85   1HD1  LEU   2          1HD1      LEU   2  -0.088  -1.397   2.084
   86   2HD1  LEU   2          2HD1      LEU   2   1.201  -2.352   2.818
   87   3HD1  LEU   2          3HD1      LEU   2   1.000  -2.341   1.067
   88   1HD2  LEU   2          1HD2      LEU   2   3.971  -0.192   1.731
   89   2HD2  LEU   2          2HD2      LEU   2   3.441  -1.679   0.943
   90   3HD2  LEU   2          3HD2      LEU   2   3.539  -1.599   2.702
   91    H    VAL   3           HN       VAL   3   2.453  -2.650  -0.624
   92    HA   VAL   3           HA       VAL   3   0.302  -3.247  -2.518
   93    HB   VAL   3           HB       VAL   3   2.705  -3.742  -3.076
   94   1HG1  VAL   3          1HG1      VAL   3   3.476  -4.574  -0.951
   95   2HG1  VAL   3          2HG1      VAL   3   3.690  -5.801  -2.199
   96   3HG1  VAL   3          3HG1      VAL   3   2.359  -5.937  -1.048
   97   1HG2  VAL   3          1HG2      VAL   3   0.758  -6.030  -3.127
   98   2HG2  VAL   3          2HG2      VAL   3   2.195  -5.876  -4.137
   99   3HG2  VAL   3          3HG2      VAL   3   0.873  -4.720  -4.301
  100    H    LEU   4           HN       LEU   4  -1.363  -4.463  -1.979
  101    HA   LEU   4           HA       LEU   4  -1.400  -5.805   0.644
  102   1HB   LEU   4          2HB       LEU   4  -3.315  -4.039  -0.721
  103   2HB   LEU   4          1HB       LEU   4  -4.038  -5.493  -0.069
  104    HG   LEU   4           HG       LEU   4  -2.692  -3.229   1.400
  105   1HD1  LEU   4          1HD1      LEU   4  -5.074  -3.039   0.930
  106   2HD1  LEU   4          2HD1      LEU   4  -4.780  -3.229   2.657
  107   3HD1  LEU   4          3HD1      LEU   4  -5.361  -4.596   1.706
  108   1HD2  LEU   4          1HD2      LEU   4  -1.709  -5.181   2.394
  109   2HD2  LEU   4          2HD2      LEU   4  -3.264  -6.008   2.432
  110   3HD2  LEU   4          3HD2      LEU   4  -2.984  -4.611   3.471
  111    H    SER   5           HN       SER   5  -2.341  -7.867   0.760
  112    HA   SER   5           HA       SER   5  -2.285  -9.350  -1.757
  113   1HB   SER   5          2HB       SER   5  -2.638 -11.290  -0.053
  114   2HB   SER   5          1HB       SER   5  -1.086 -10.459  -0.095
  115    HG   SER   5           HG       SER   5  -1.493  -9.536   1.795
  116    H    ARG   6           HN       ARG   6  -4.091  -9.673  -2.891
  117    HA   ARG   6           HA       ARG   6  -6.575 -10.303  -1.544
  118   1HB   ARG   6          2HB       ARG   6  -6.375  -7.736  -1.889
  119   2HB   ARG   6          1HB       ARG   6  -6.615  -8.095  -3.591
  120   1HG   ARG   6          2HG       ARG   6  -8.693  -7.447  -2.511
  121   2HG   ARG   6          1HG       ARG   6  -8.767  -9.110  -3.094
  122   1HD   ARG   6          2HD       ARG   6  -9.712  -8.672  -0.778
  123   2HD   ARG   6          1HD       ARG   6  -8.559  -9.995  -0.924
  124    HE   ARG   6           HE       ARG   6  -6.890  -8.201  -0.128
  125   1HH1  ARG   6          1HH1      ARG   6 -10.242  -8.383   0.882
  126   2HH1  ARG   6          2HH1      ARG   6  -9.917  -7.738   2.468
  127   1HH2  ARG   6          1HH2      ARG   6  -6.485  -7.350   1.969
  128   2HH2  ARG   6          2HH2      ARG   6  -7.808  -7.148   3.076
  129    H    LYS   7           HN       LYS   7  -7.324 -12.041  -2.607
  130    HA   LYS   7           HA       LYS   7  -6.265 -12.539  -5.311
  131   1HB   LYS   7          2HB       LYS   7  -7.659 -14.707  -3.852
  132   2HB   LYS   7          1HB       LYS   7  -6.168 -14.759  -4.782
  133   1HG   LYS   7          2HG       LYS   7  -6.457 -13.666  -1.994
  134   2HG   LYS   7          1HG       LYS   7  -5.784 -15.241  -2.424
  135   1HD   LYS   7          2HD       LYS   7  -3.851 -14.330  -3.237
  136   2HD   LYS   7          1HD       LYS   7  -4.624 -12.795  -3.649
  137   1HE   LYS   7          2HE       LYS   7  -3.168 -12.466  -1.766
  138   2HE   LYS   7          1HE       LYS   7  -4.840 -12.289  -1.256
  139   1HZ   LYS   7          1HZ       LYS   7  -3.219 -14.759  -0.873
  140   2HZ   LYS   7          2HZ       LYS   7  -4.808 -14.504  -0.329
  141   3HZ   LYS   7          3HZ       LYS   7  -3.533 -13.604   0.326
  142    H    ILE   8           HN       ILE   8  -8.260 -10.766  -5.322
  143    HA   ILE   8           HA       ILE   8 -10.689 -12.254  -6.017
  144    HB   ILE   8           HB       ILE   8 -10.781  -9.700  -4.404
  145   1HG1  ILE   8          2HG1      ILE   8 -10.637 -12.554  -3.382
  146   2HG1  ILE   8          1HG1      ILE   8  -9.505 -11.252  -3.033
  147   1HG2  ILE   8          1HG2      ILE   8 -12.829 -10.327  -5.547
  148   2HG2  ILE   8          2HG2      ILE   8 -13.023 -10.525  -3.806
  149   3HG2  ILE   8          3HG2      ILE   8 -12.765 -11.938  -4.830
  150   1HD1  ILE   8          1HD1      ILE   8 -11.213 -10.091  -1.760
  151   2HD1  ILE   8          2HD1      ILE   8 -10.991 -11.735  -1.152
  152   3HD1  ILE   8          3HD1      ILE   8 -12.387 -11.347  -2.156
  153    H    ASN   9           HN       ASN   9  -8.339 -10.222  -6.950
  154    HA   ASN   9           HA       ASN   9  -8.090  -8.294  -8.145
  155   1HB   ASN   9          2HB       ASN   9  -9.148  -8.520 -10.452
  156   2HB   ASN   9          1HB       ASN   9  -8.067  -9.805  -9.936
  157   1HD2  ASN   9          1HD2      ASN   9 -11.439  -8.910 -10.263
  158   2HD2  ASN   9          2HD2      ASN   9 -12.038 -10.522 -10.485
  159    H    GLU  10           HN       GLU  10  -9.995  -7.899  -6.180
  160    HA   GLU  10           HA       GLU  10 -12.112  -6.348  -7.403
  161   1HB   GLU  10          2HB       GLU  10 -12.890  -5.967  -5.121
  162   2HB   GLU  10          1HB       GLU  10 -12.620  -7.680  -5.401
  163   1HG   GLU  10          2HG       GLU  10 -10.545  -7.608  -4.187
  164   2HG   GLU  10          1HG       GLU  10 -10.672  -5.858  -3.999
  165    H    ALA  11           HN       ALA  11 -12.444  -4.135  -6.342
  166    HA   ALA  11           HA       ALA  11  -9.853  -2.739  -6.456
  167   1HB   ALA  11          1HB       ALA  11 -11.119  -0.757  -7.166
  168   2HB   ALA  11          2HB       ALA  11 -12.612  -1.694  -7.102
  169   3HB   ALA  11          3HB       ALA  11 -11.356  -2.112  -8.267
  170    H    ILE  12           HN       ILE  12  -9.346  -1.251  -4.871
  171    HA   ILE  12           HA       ILE  12 -11.039  -1.471  -2.481
  172    HB   ILE  12           HB       ILE  12  -8.158  -0.585  -2.593
  173   1HG1  ILE  12          2HG1      ILE  12  -8.319  -2.902  -3.379
  174   2HG1  ILE  12          1HG1      ILE  12  -7.571  -2.833  -1.786
  175   1HG2  ILE  12          1HG2      ILE  12  -9.911  -1.467  -0.310
  176   2HG2  ILE  12          2HG2      ILE  12  -9.353   0.174  -0.631
  177   3HG2  ILE  12          3HG2      ILE  12  -8.196  -1.082  -0.187
  178   1HD1  ILE  12          1HD1      ILE  12  -9.131  -4.692  -1.960
  179   2HD1  ILE  12          2HD1      ILE  12 -10.437  -3.568  -2.345
  180   3HD1  ILE  12          3HD1      ILE  12  -9.670  -3.517  -0.758
  181    H    GLN  13           HN       GLN  13 -12.366   0.188  -2.346
  182    HA   GLN  13           HA       GLN  13 -11.282   2.882  -2.808
  183   1HB   GLN  13          2HB       GLN  13 -13.252   2.206  -4.231
  184   2HB   GLN  13          1HB       GLN  13 -14.202   2.075  -2.757
  185   1HG   GLN  13          2HG       GLN  13 -12.796   4.620  -3.494
  186   2HG   GLN  13          1HG       GLN  13 -14.386   4.227  -4.141
  187   1HE2  GLN  13          1HE2      GLN  13 -13.550   6.422  -2.495
  188   2HE2  GLN  13          2HE2      GLN  13 -14.468   6.351  -1.031
  189    H    ILE  14           HN       ILE  14 -10.552   3.550  -0.909
  190    HA   ILE  14           HA       ILE  14 -12.415   3.315   1.341
  191    HB   ILE  14           HB       ILE  14 -10.457   3.540   2.877
  192   1HG1  ILE  14          2HG1      ILE  14  -8.915   4.346   0.957
  193   2HG1  ILE  14          1HG1      ILE  14  -8.245   3.275   2.182
  194   1HG2  ILE  14          1HG2      ILE  14 -11.539   1.432   2.598
  195   2HG2  ILE  14          2HG2      ILE  14  -9.797   1.158   2.657
  196   3HG2  ILE  14          3HG2      ILE  14 -10.647   1.113   1.109
  197   1HD1  ILE  14          1HD1      ILE  14  -7.502   2.660  -0.045
  198   2HD1  ILE  14          2HD1      ILE  14  -9.174   2.456  -0.562
  199   3HD1  ILE  14          3HD1      ILE  14  -8.494   1.385   0.661
  200    H    GLY  15           HN       GLY  15 -13.445   5.123   1.465
  201   1HA   GLY  15          2HA       GLY  15 -13.880   7.274   1.992
  202   2HA   GLY  15          1HA       GLY  15 -12.279   7.306   2.711
  203    H    ALA  16           HN       ALA  16 -12.567   6.706  -0.667
  204    HA   ALA  16           HA       ALA  16 -12.358   7.929  -2.555
  205   1HB   ALA  16          1HB       ALA  16 -12.925  10.268  -2.611
  206   2HB   ALA  16          2HB       ALA  16 -12.812  10.372  -0.853
  207   3HB   ALA  16          3HB       ALA  16 -14.077   9.396  -1.603
  208    H    ASP  17           HN       ASP  17 -10.287   8.359   0.099
  209    HA   ASP  17           HA       ASP  17  -8.372  10.069  -1.157
  210   1HB   ASP  17          2HB       ASP  17  -8.462   9.633   1.336
  211   2HB   ASP  17          1HB       ASP  17  -7.830   8.021   1.005
  212    H    ILE  18           HN       ILE  18  -9.053   6.656  -1.039
  213    HA   ILE  18           HA       ILE  18  -6.994   6.207  -3.074
  214    HB   ILE  18           HB       ILE  18  -7.246   4.638  -0.506
  215   1HG1  ILE  18          2HG1      ILE  18  -5.805   6.652  -0.462
  216   2HG1  ILE  18          1HG1      ILE  18  -4.889   5.166  -0.228
  217   1HG2  ILE  18          1HG2      ILE  18  -5.575   3.087  -1.439
  218   2HG2  ILE  18          2HG2      ILE  18  -5.692   3.912  -2.995
  219   3HG2  ILE  18          3HG2      ILE  18  -7.090   3.055  -2.344
  220   1HD1  ILE  18          1HD1      ILE  18  -5.080   6.757  -2.776
  221   2HD1  ILE  18          2HD1      ILE  18  -4.179   5.252  -2.570
  222   3HD1  ILE  18          3HD1      ILE  18  -3.703   6.697  -1.674
  223    H    GLU  19           HN       GLU  19  -8.016   5.467  -4.736
  224    HA   GLU  19           HA       GLU  19  -9.698   3.095  -4.427
  225   1HB   GLU  19          2HB       GLU  19 -11.187   3.976  -6.265
  226   2HB   GLU  19          1HB       GLU  19 -11.334   4.825  -4.730
  227   1HG   GLU  19          2HG       GLU  19 -10.005   6.648  -5.550
  228   2HG   GLU  19          1HG       GLU  19  -9.664   5.777  -7.044
  229    H    VAL  20           HN       VAL  20  -8.690   1.513  -5.557
  230    HA   VAL  20           HA       VAL  20  -7.925   1.605  -8.204
  231    HB   VAL  20           HB       VAL  20  -6.306   3.350  -7.431
  232   1HG1  VAL  20          1HG1      VAL  20  -4.300   2.624  -6.196
  233   2HG1  VAL  20          2HG1      VAL  20  -5.069   1.061  -5.913
  234   3HG1  VAL  20          3HG1      VAL  20  -5.775   2.527  -5.234
  235   1HG2  VAL  20          1HG2      VAL  20  -4.358   2.423  -8.603
  236   2HG2  VAL  20          2HG2      VAL  20  -5.868   2.108  -9.457
  237   3HG2  VAL  20          3HG2      VAL  20  -5.095   0.821  -8.530
  238    H    LYS  21           HN       LYS  21  -7.094  -0.348  -8.898
  239    HA   LYS  21           HA       LYS  21  -6.060  -2.202  -6.894
  240   1HB   LYS  21          2HB       LYS  21  -7.128  -4.041  -8.331
  241   2HB   LYS  21          1HB       LYS  21  -8.181  -3.135  -7.257
  242   1HG   LYS  21          2HG       LYS  21  -9.068  -1.863  -9.045
  243   2HG   LYS  21          1HG       LYS  21  -7.840  -2.470 -10.169
  244   1HD   LYS  21          2HD       LYS  21  -8.779  -4.786  -9.736
  245   2HD   LYS  21          1HD       LYS  21 -10.126  -3.986  -8.924
  246   1HE   LYS  21          2HE       LYS  21  -9.298  -3.413 -11.762
  247   2HE   LYS  21          1HE       LYS  21 -10.523  -4.597 -11.320
  248   1HZ   LYS  21          1HZ       LYS  21 -11.418  -2.395 -11.950
  249   2HZ   LYS  21          2HZ       LYS  21 -10.669  -1.724 -10.583
  250   3HZ   LYS  21          3HZ       LYS  21 -11.878  -2.898 -10.395
  251    H    VAL  22           HN       VAL  22  -3.964  -1.894  -7.459
  252    HA   VAL  22           HA       VAL  22  -3.245  -2.446 -10.255
  253    HB   VAL  22           HB       VAL  22  -1.446  -1.511  -8.005
  254   1HG1  VAL  22          1HG1      VAL  22  -0.974  -1.702 -10.975
  255   2HG1  VAL  22          2HG1      VAL  22  -0.239  -2.710  -9.728
  256   3HG1  VAL  22          3HG1      VAL  22   0.138  -0.989  -9.808
  257   1HG2  VAL  22          1HG2      VAL  22  -2.689   0.079 -10.250
  258   2HG2  VAL  22          2HG2      VAL  22  -1.493   0.683  -9.100
  259   3HG2  VAL  22          3HG2      VAL  22  -3.093   0.201  -8.536
  260    H    ILE  23           HN       ILE  23  -3.056  -4.549 -10.621
  261    HA   ILE  23           HA       ILE  23  -2.464  -6.294  -8.374
  262    HB   ILE  23           HB       ILE  23  -3.372  -6.967 -11.171
  263   1HG1  ILE  23          2HG1      ILE  23  -4.925  -6.988  -8.576
  264   2HG1  ILE  23          1HG1      ILE  23  -4.978  -5.656  -9.728
  265   1HG2  ILE  23          1HG2      ILE  23  -3.156  -8.704  -8.715
  266   2HG2  ILE  23          2HG2      ILE  23  -2.143  -8.808 -10.158
  267   3HG2  ILE  23          3HG2      ILE  23  -3.863  -9.187 -10.259
  268   1HD1  ILE  23          1HD1      ILE  23  -6.898  -7.104  -9.980
  269   2HD1  ILE  23          2HD1      ILE  23  -5.847  -8.495 -10.233
  270   3HD1  ILE  23          3HD1      ILE  23  -5.882  -7.190 -11.418
  271    H    ALA  24           HN       ALA  24  -0.626  -7.276  -8.074
  272    HA   ALA  24           HA       ALA  24   1.344  -7.285 -10.260
  273   1HB   ALA  24          1HB       ALA  24   1.912  -5.527  -8.668
  274   2HB   ALA  24          2HB       ALA  24   3.101  -6.830  -8.610
  275   3HB   ALA  24          3HB       ALA  24   1.877  -6.695  -7.349
  276    H    VAL  25           HN       VAL  25   3.257  -8.791  -9.532
  277    HA   VAL  25           HA       VAL  25   1.971 -11.350  -9.121
  278    HB   VAL  25           HB       VAL  25   4.255 -12.229  -9.822
  279   1HG1  VAL  25          1HG1      VAL  25   2.334 -12.223 -11.295
  280   2HG1  VAL  25          2HG1      VAL  25   3.789 -11.803 -12.198
  281   3HG1  VAL  25          3HG1      VAL  25   2.646 -10.544 -11.731
  282   1HG2  VAL  25          1HG2      VAL  25   5.569 -10.230  -9.392
  283   2HG2  VAL  25          2HG2      VAL  25   4.622  -9.332 -10.579
  284   3HG2  VAL  25          3HG2      VAL  25   5.658 -10.660 -11.101
  285    H    GLU  26           HN       GLU  26   1.995 -12.345  -7.310
  286    HA   GLU  26           HA       GLU  26   4.079 -11.824  -5.300
  287   1HB   GLU  26          2HB       GLU  26   1.664 -11.519  -4.684
  288   2HB   GLU  26          1HB       GLU  26   1.400 -13.220  -5.048
  289   1HG   GLU  26          2HG       GLU  26   1.543 -12.973  -2.698
  290   2HG   GLU  26          1HG       GLU  26   3.009 -13.790  -3.241
  291    H    GLY  27           HN       GLY  27   4.861 -13.271  -7.488
  292   1HA   GLY  27          2HA       GLY  27   5.910 -15.268  -8.003
  293   2HA   GLY  27          1HA       GLY  27   5.373 -15.910  -6.453
  294    H    ASP  28           HN       ASP  28   3.055 -16.441  -6.287
  295    HA   ASP  28           HA       ASP  28   1.846 -17.197  -8.852
  296   1HB   ASP  28          2HB       ASP  28   1.239 -19.382  -8.018
  297   2HB   ASP  28          1HB       ASP  28   2.975 -19.180  -7.808
  298    H    GLN  29           HN       GLN  29   1.552 -15.282  -6.411
  299    HA   GLN  29           HA       GLN  29  -1.328 -15.712  -5.981
  300   1HB   GLN  29          2HB       GLN  29  -0.076 -15.961  -3.917
  301   2HB   GLN  29          1HB       GLN  29   0.774 -14.455  -4.218
  302   1HG   GLN  29          2HG       GLN  29  -1.162 -13.157  -3.750
  303   2HG   GLN  29          1HG       GLN  29  -2.194 -14.598  -3.740
  304   1HE2  GLN  29          1HE2      GLN  29   0.340 -12.888  -2.049
  305   2HE2  GLN  29          2HE2      GLN  29   0.103 -13.658  -0.519
  306    H    VAL  30           HN       VAL  30  -2.622 -13.765  -5.855
  307    HA   VAL  30           HA       VAL  30  -1.413 -11.596  -7.411
  308    HB   VAL  30           HB       VAL  30  -3.743 -11.006  -8.124
  309   1HG1  VAL  30          1HG1      VAL  30  -3.971 -12.857  -9.751
  310   2HG1  VAL  30          2HG1      VAL  30  -2.751 -13.757  -8.853
  311   3HG1  VAL  30          3HG1      VAL  30  -2.325 -12.237  -9.642
  312   1HG2  VAL  30          1HG2      VAL  30  -4.949 -12.093  -6.302
  313   2HG2  VAL  30          2HG2      VAL  30  -4.441 -13.672  -6.904
  314   3HG2  VAL  30          3HG2      VAL  30  -5.515 -12.662  -7.874
  315    H    LYS  31           HN       LYS  31  -1.257  -9.705  -6.529
  316    HA   LYS  31           HA       LYS  31  -2.993  -9.046  -4.272
  317   1HB   LYS  31          2HB       LYS  31  -1.181  -8.450  -2.879
  318   2HB   LYS  31          1HB       LYS  31  -0.738  -9.999  -3.585
  319   1HG   LYS  31          2HG       LYS  31   0.565  -8.692  -5.304
  320   2HG   LYS  31          1HG       LYS  31   0.280  -7.270  -4.304
  321   1HD   LYS  31          2HD       LYS  31   1.716  -9.797  -3.484
  322   2HD   LYS  31          1HD       LYS  31   2.443  -8.216  -3.779
  323   1HE   LYS  31          2HE       LYS  31   1.097  -7.295  -1.917
  324   2HE   LYS  31          1HE       LYS  31   0.488  -8.921  -1.598
  325   1HZ   LYS  31          1HZ       LYS  31   2.389  -8.267  -0.161
  326   2HZ   LYS  31          2HZ       LYS  31   3.372  -8.192  -1.539
  327   3HZ   LYS  31          3HZ       LYS  31   2.683  -9.668  -1.077
  328    H    LEU  32           HN       LEU  32  -3.345  -6.791  -3.999
  329    HA   LEU  32           HA       LEU  32  -2.807  -5.247  -6.433
  330   1HB   LEU  32          2HB       LEU  32  -4.526  -3.699  -5.575
  331   2HB   LEU  32          1HB       LEU  32  -5.140  -5.308  -5.870
  332    HG   LEU  32           HG       LEU  32  -4.510  -5.484  -3.220
  333   1HD1  LEU  32          1HD1      LEU  32  -5.328  -3.452  -2.129
  334   2HD1  LEU  32          2HD1      LEU  32  -5.413  -2.648  -3.696
  335   3HD1  LEU  32          3HD1      LEU  32  -3.852  -3.161  -3.052
  336   1HD2  LEU  32          1HD2      LEU  32  -6.912  -5.173  -2.812
  337   2HD2  LEU  32          2HD2      LEU  32  -6.606  -6.173  -4.235
  338   3HD2  LEU  32          3HD2      LEU  32  -7.088  -4.487  -4.428
  339    H    GLY  33           HN       GLY  33  -2.327  -2.896  -6.126
  340   1HA   GLY  33          2HA       GLY  33  -0.936  -2.357  -3.591
  341   2HA   GLY  33          1HA       GLY  33  -0.079  -2.131  -5.111
  342    H    ILE  34           HN       ILE  34  -1.318  -0.376  -2.798
  343    HA   ILE  34           HA       ILE  34  -2.712   1.498  -4.562
  344    HB   ILE  34           HB       ILE  34  -3.515   2.673  -2.664
  345   1HG1  ILE  34          2HG1      ILE  34  -2.213   0.937  -0.634
  346   2HG1  ILE  34          1HG1      ILE  34  -1.194   2.149  -1.419
  347   1HG2  ILE  34          1HG2      ILE  34  -3.637  -0.289  -2.135
  348   2HG2  ILE  34          2HG2      ILE  34  -4.715   0.644  -3.175
  349   3HG2  ILE  34          3HG2      ILE  34  -4.712   0.919  -1.431
  350   1HD1  ILE  34          1HD1      ILE  34  -2.770   3.889  -0.731
  351   2HD1  ILE  34          2HD1      ILE  34  -2.132   2.994   0.647
  352   3HD1  ILE  34          3HD1      ILE  34  -3.763   2.666   0.062
  353    H    ASP  35           HN       ASP  35  -1.670   3.136  -5.420
  354    HA   ASP  35           HA       ASP  35   0.755   4.100  -4.070
  355   1HB   ASP  35          2HB       ASP  35   1.437   3.056  -6.119
  356   2HB   ASP  35          1HB       ASP  35   0.186   3.889  -7.028
  357    H    ALA  36           HN       ALA  36   1.024   6.269  -3.867
  358    HA   ALA  36           HA       ALA  36  -1.181   7.998  -4.728
  359   1HB   ALA  36          1HB       ALA  36  -1.369   8.952  -2.474
  360   2HB   ALA  36          2HB       ALA  36  -0.197   7.773  -1.881
  361   3HB   ALA  36          3HB       ALA  36  -1.763   7.233  -2.486
  362    HA   PRO  37           HA       PRO  37   1.990  10.920  -5.629
  363   1HB   PRO  37          2HB       PRO  37   0.266  13.107  -4.700
  364   2HB   PRO  37          1HB       PRO  37   0.822  12.735  -6.333
  365   1HG   PRO  37          2HG       PRO  37  -1.743  12.389  -5.580
  366   2HG   PRO  37          1HG       PRO  37  -0.950  11.333  -6.763
  367   1HD   PRO  37          2HD       PRO  37  -1.512  10.856  -3.862
  368   2HD   PRO  37          1HD       PRO  37  -1.658   9.739  -5.239
  369    H    LYS  38           HN       LYS  38   1.840   9.893  -2.832
  370    HA   LYS  38           HA       LYS  38   2.860  10.163  -0.852
  371   1HB   LYS  38          2HB       LYS  38   4.759  10.488  -2.409
  372   2HB   LYS  38          1HB       LYS  38   4.517  12.226  -2.300
  373   1HG   LYS  38          2HG       LYS  38   6.338  11.314  -0.883
  374   2HG   LYS  38          1HG       LYS  38   5.114  12.241  -0.014
  375   1HD   LYS  38          2HD       LYS  38   4.099  10.268   0.849
  376   2HD   LYS  38          1HD       LYS  38   5.055   9.231  -0.221
  377   1HE   LYS  38          2HE       LYS  38   6.674  11.013   1.391
  378   2HE   LYS  38          1HE       LYS  38   5.706   9.897   2.358
  379   1HZ   LYS  38          1HZ       LYS  38   7.466   9.053   0.126
  380   2HZ   LYS  38          2HZ       LYS  38   6.714   8.061   1.277
  381   3HZ   LYS  38          3HZ       LYS  38   7.971   9.098   1.743
  382    H    HIS  39           HN       HIS  39   0.543  11.919  -1.468
  383    HA   HIS  39           HA       HIS  39   0.823  14.110   0.351
  384   1HB   HIS  39          2HB       HIS  39  -1.572  14.287   0.219
  385   2HB   HIS  39          1HB       HIS  39  -1.028  13.812  -1.385
  386    HD1  HIS  39           1HD      HIS  39  -0.659  10.758  -0.149
  387    HD2  HIS  39           2HD      HIS  39  -4.100  13.056  -0.366
  388    HE1  HIS  39           1HE      HIS  39  -2.522   9.148   0.022
  389    HE2  HIS  39           2HE      HIS  39  -4.614  10.566   0.121
  390    H    ILE  40           HN       ILE  40  -1.414  13.486   2.100
  391    HA   ILE  40           HA       ILE  40  -0.354  11.222   3.648
  392    HB   ILE  40           HB       ILE  40  -1.171  12.270   5.687
  393   1HG1  ILE  40          2HG1      ILE  40  -2.981  13.550   4.340
  394   2HG1  ILE  40          1HG1      ILE  40  -2.328  14.292   5.802
  395   1HG2  ILE  40          1HG2      ILE  40   0.398  14.172   5.844
  396   2HG2  ILE  40          2HG2      ILE  40   0.618  14.101   4.094
  397   3HG2  ILE  40          3HG2      ILE  40   1.116  12.741   5.102
  398   1HD1  ILE  40          1HD1      ILE  40  -2.573  15.913   4.007
  399   2HD1  ILE  40          2HD1      ILE  40  -1.532  14.941   2.969
  400   3HD1  ILE  40          3HD1      ILE  40  -0.872  15.694   4.419
  401    H    ASP  41           HN       ASP  41  -1.907   9.986   4.762
  402    HA   ASP  41           HA       ASP  41  -4.287   9.725   3.151
  403   1HB   ASP  41          2HB       ASP  41  -4.548   7.587   4.521
  404   2HB   ASP  41          1HB       ASP  41  -3.158   7.710   3.446
  405    H    ILE  42           HN       ILE  42  -6.120  10.535   3.642
  406    HA   ILE  42           HA       ILE  42  -6.683  11.665   6.236
  407    HB   ILE  42           HB       ILE  42  -8.637  11.331   3.960
  408   1HG1  ILE  42          2HG1      ILE  42  -6.584  13.522   4.335
  409   2HG1  ILE  42          1HG1      ILE  42  -6.585  12.312   3.055
  410   1HG2  ILE  42          1HG2      ILE  42  -9.577  12.079   6.065
  411   2HG2  ILE  42          2HG2      ILE  42  -9.610  13.387   4.883
  412   3HG2  ILE  42          3HG2      ILE  42  -8.390  13.381   6.158
  413   1HD1  ILE  42          1HD1      ILE  42  -8.666  13.246   2.186
  414   2HD1  ILE  42          2HD1      ILE  42  -7.385  14.456   2.252
  415   3HD1  ILE  42          3HD1      ILE  42  -8.660  14.457   3.469
  416    H    HIS  43           HN       HIS  43  -8.276  10.930   7.692
  417    HA   HIS  43           HA       HIS  43  -9.657   8.431   7.019
  418   1HB   HIS  43          2HB       HIS  43  -8.472   8.683   9.763
  419   2HB   HIS  43          1HB       HIS  43  -9.027   7.240   8.908
  420    HD1  HIS  43           1HD      HIS  43  -6.032   8.825   9.966
  421    HD2  HIS  43           2HD      HIS  43  -7.175   6.767   6.532
  422    HE1  HIS  43           1HE      HIS  43  -3.899   8.080   8.864
  423    HE2  HIS  43           2HE      HIS  43  -4.594   6.965   6.743
  424    H    ARG  44           HN       ARG  44 -11.341   7.952   8.793
  425    HA   ARG  44           HA       ARG  44 -12.719  10.480   9.250
  426   1HB   ARG  44          2HB       ARG  44 -13.680   7.639   9.613
  427   2HB   ARG  44          1HB       ARG  44 -14.665   9.079   9.833
  428   1HG   ARG  44          2HG       ARG  44 -14.100   9.653   7.428
  429   2HG   ARG  44          1HG       ARG  44 -13.487   8.004   7.292
  430   1HD   ARG  44          2HD       ARG  44 -15.792   8.132   6.522
  431   2HD   ARG  44          1HD       ARG  44 -15.681   7.146   7.982
  432    HE   ARG  44           HE       ARG  44 -16.230   9.708   8.837
  433   1HH1  ARG  44          1HH1      ARG  44 -17.800   7.327   6.799
  434   2HH1  ARG  44          2HH1      ARG  44 -19.403   7.877   7.183
  435   1HH2  ARG  44          1HH2      ARG  44 -18.329  10.424   9.352
  436   2HH2  ARG  44          2HH2      ARG  44 -19.708   9.630   8.634
  437    H    LYS  45           HN       LYS  45 -13.269   7.784  11.378
  438    HA   LYS  45           HA       LYS  45 -12.049   9.328  13.580
  439   1HB   LYS  45          2HB       LYS  45 -14.348   7.356  13.695
  440   2HB   LYS  45          1HB       LYS  45 -13.637   8.167  15.085
  441   1HG   LYS  45          2HG       LYS  45 -14.310  10.336  14.137
  442   2HG   LYS  45          1HG       LYS  45 -15.074   9.488  12.792
  443   1HD   LYS  45          2HD       LYS  45 -16.557   8.342  14.376
  444   2HD   LYS  45          1HD       LYS  45 -15.804   9.225  15.706
  445   1HE   LYS  45          2HE       LYS  45 -17.837  10.341  15.151
  446   2HE   LYS  45          1HE       LYS  45 -16.502  11.347  14.592
  447   1HZ   LYS  45          1HZ       LYS  45 -16.851  10.320  12.351
  448   2HZ   LYS  45          2HZ       LYS  45 -18.120  11.306  12.885
  449   3HZ   LYS  45          3HZ       LYS  45 -18.273   9.617  12.954
  450    H    GLU  46           HN       GLU  46 -12.342   6.335  11.926
  451    HA   GLU  46           HA       GLU  46 -10.068   5.252  13.455
  452   1HB   GLU  46          2HB       GLU  46 -10.722   3.058  12.669
  453   2HB   GLU  46          1HB       GLU  46 -12.145   3.822  13.363
  454   1HG   GLU  46          2HG       GLU  46 -11.544   3.754  10.410
  455   2HG   GLU  46          1HG       GLU  46 -12.541   2.564  11.240
  456    H    ILE  47           HN       ILE  47  -8.649   3.843  11.762
  457    HA   ILE  47           HA       ILE  47  -8.321   5.607   9.457
  458    HB   ILE  47           HB       ILE  47  -6.252   4.537   8.948
  459   1HG1  ILE  47          2HG1      ILE  47  -6.655   2.759  11.365
  460   2HG1  ILE  47          1HG1      ILE  47  -6.922   2.235   9.702
  461   1HG2  ILE  47          1HG2      ILE  47  -6.185   6.334  10.564
  462   2HG2  ILE  47          2HG2      ILE  47  -4.970   5.126  10.981
  463   3HG2  ILE  47          3HG2      ILE  47  -6.484   5.202  11.882
  464   1HD1  ILE  47          1HD1      ILE  47  -4.288   3.299  10.691
  465   2HD1  ILE  47          2HD1      ILE  47  -4.628   2.462   9.171
  466   3HD1  ILE  47          3HD1      ILE  47  -4.722   1.589  10.701
  467    H    TYR  48           HN       TYR  48  -9.150   5.148   7.592
  468    HA   TYR  48           HA       TYR  48 -10.434   2.583   7.269
  469   1HB   TYR  48          2HB       TYR  48 -11.703   3.642   5.487
  470   2HB   TYR  48          1HB       TYR  48 -11.712   4.629   6.946
  471    HD1  TYR  48           1HD      TYR  48  -9.204   4.442   4.175
  472    HD2  TYR  48           2HD      TYR  48 -12.038   6.775   6.308
  473    HE1  TYR  48           1HE      TYR  48  -8.609   6.396   2.805
  474    HE2  TYR  48           2HE      TYR  48 -11.443   8.740   4.966
  475    HH   TYR  48           HH       TYR  48  -9.422   9.513   3.638
  476    H    LEU  49           HN       LEU  49  -7.487   3.746   6.549
  477    HA   LEU  49           HA       LEU  49  -7.312   2.536   3.876
  478   1HB   LEU  49          2HB       LEU  49  -6.292   4.961   5.044
  479   2HB   LEU  49          1HB       LEU  49  -4.966   3.964   4.474
  480    HG   LEU  49           HG       LEU  49  -7.294   4.510   2.677
  481   1HD1  LEU  49          1HD1      LEU  49  -4.946   6.322   3.185
  482   2HD1  LEU  49          2HD1      LEU  49  -6.655   6.699   3.420
  483   3HD1  LEU  49          3HD1      LEU  49  -6.020   6.444   1.791
  484   1HD2  LEU  49          1HD2      LEU  49  -5.688   2.816   2.014
  485   2HD2  LEU  49          2HD2      LEU  49  -4.365   3.963   2.230
  486   3HD2  LEU  49          3HD2      LEU  49  -5.563   4.225   0.963
  487    H    THR  50           HN       THR  50  -4.914   3.173   6.394
  488    HA   THR  50           HA       THR  50  -3.547   1.793   7.567
  489    HB   THR  50           HB       THR  50  -5.295  -0.342   6.388
  490    HG1  THR  50           1HG      THR  50  -6.360  -0.226   8.224
  491   1HG2  THR  50          1HG2      THR  50  -3.099  -0.720   8.425
  492   2HG2  THR  50          2HG2      THR  50  -3.043  -1.275   6.751
  493   3HG2  THR  50          3HG2      THR  50  -4.225  -1.960   7.868
  494    H    ILE  51           HN       ILE  51  -4.119   1.068   4.209
  495    HA   ILE  51           HA       ILE  51  -1.829  -0.473   3.698
  496    HB   ILE  51           HB       ILE  51  -2.859   1.334   1.543
  497   1HG1  ILE  51          2HG1      ILE  51  -4.380  -1.065   2.594
  498   2HG1  ILE  51          1HG1      ILE  51  -4.837   0.605   2.887
  499   1HG2  ILE  51          1HG2      ILE  51  -1.128  -0.288   1.033
  500   2HG2  ILE  51          2HG2      ILE  51  -2.631  -0.718   0.216
  501   3HG2  ILE  51          3HG2      ILE  51  -2.133  -1.592   1.665
  502   1HD1  ILE  51          1HD1      ILE  51  -6.172  -0.353   1.119
  503   2HD1  ILE  51          2HD1      ILE  51  -4.716  -0.757   0.210
  504   3HD1  ILE  51          3HD1      ILE  51  -5.148   0.932   0.482
  505    H    GLN  52           HN       GLN  52  -2.309   2.991   2.818
  506    HA   GLN  52           HA       GLN  52   0.557   3.305   2.623
  507   1HB   GLN  52          2HB       GLN  52   0.211   5.310   1.625
  508   2HB   GLN  52          1HB       GLN  52  -1.337   4.553   1.269
  509   1HG   GLN  52          2HG       GLN  52  -2.303   5.710   3.215
  510   2HG   GLN  52          1HG       GLN  52  -0.751   6.507   3.478
  511   1HE2  GLN  52          1HE2      GLN  52  -3.594   6.380   1.592
  512   2HE2  GLN  52          2HE2      GLN  52  -3.313   7.786   0.663
  513    H    GLU  53           HN       GLU  53  -1.709   3.459   5.125
  514    HA   GLU  53           HA       GLU  53  -0.411   5.467   6.703
  515   1HB   GLU  53          2HB       GLU  53  -2.836   4.706   6.917
  516   2HB   GLU  53          1HB       GLU  53  -2.230   3.229   7.663
  517   1HG   GLU  53          2HG       GLU  53  -1.680   5.978   8.750
  518   2HG   GLU  53          1HG       GLU  53  -3.070   5.009   9.227
  519    H    GLU  54           HN       GLU  54  -0.464   1.933   6.627
  520    HA   GLU  54           HA       GLU  54   1.557   1.371   8.445
  521   1HB   GLU  54          2HB       GLU  54   0.547   0.039   5.945
  522   2HB   GLU  54          1HB       GLU  54   2.000  -0.589   6.733
  523   1HG   GLU  54          2HG       GLU  54  -0.691  -0.263   8.053
  524   2HG   GLU  54          1HG       GLU  54  -0.058  -1.769   7.389
  525    H    ASN  55           HN       ASN  55   1.721   2.247   5.039
  526    HA   ASN  55           HA       ASN  55   4.647   2.180   5.083
  527   1HB   ASN  55          2HB       ASN  55   3.350   1.076   3.258
  528   2HB   ASN  55          1HB       ASN  55   2.738   2.652   2.783
  529   1HD2  ASN  55          1HD2      ASN  55   5.367   0.461   2.662
  530   2HD2  ASN  55          2HD2      ASN  55   6.359   1.404   1.611
  531    H    ASN  56           HN       ASN  56   2.891   4.294   2.982
  532    HA   ASN  56           HA       ASN  56   2.955   6.500   2.534
  533   1HB   ASN  56          2HB       ASN  56   2.057   6.646   4.908
  534   2HB   ASN  56          1HB       ASN  56   3.716   6.990   5.415
  535   1HD2  ASN  56          1HD2      ASN  56   1.375   8.699   5.617
  536   2HD2  ASN  56          2HD2      ASN  56   1.751  10.135   4.727
  537    H    ARG  57           HN       ARG  57   5.531   6.005   4.915
  538    HA   ARG  57           HA       ARG  57   7.467   7.335   3.230
  539   1HB   ARG  57          2HB       ARG  57   8.989   6.354   5.181
  540   2HB   ARG  57          1HB       ARG  57   8.005   7.794   5.409
  541   1HG   ARG  57          2HG       ARG  57   6.353   6.602   6.592
  542   2HG   ARG  57          1HG       ARG  57   7.025   5.045   6.106
  543   1HD   ARG  57          2HD       ARG  57   8.918   5.337   7.485
  544   2HD   ARG  57          1HD       ARG  57   8.528   7.031   7.784
  545    HE   ARG  57           HE       ARG  57   6.382   5.818   8.793
  546   1HH1  ARG  57          1HH1      ARG  57   9.778   5.059   9.116
  547   2HH1  ARG  57          2HH1      ARG  57   9.626   4.479  10.748
  548   1HH2  ARG  57          1HH2      ARG  57   6.167   5.048  10.939
  549   2HH2  ARG  57          2HH2      ARG  57   7.576   4.475  11.786
  550    H    ALA  58           HN       ALA  58   7.558   4.195   4.885
  551    HA   ALA  58           HA       ALA  58   7.960   2.582   2.640
  552   1HB   ALA  58          1HB       ALA  58  10.056   3.808   2.359
  553   2HB   ALA  58          2HB       ALA  58  10.361   2.124   2.787
  554   3HB   ALA  58          3HB       ALA  58  10.531   3.388   4.007
  555    H    ALA  59           HN       ALA  59   6.594   1.278   3.864
  556    HA   ALA  59           HA       ALA  59   7.675   0.141   6.334
  557   1HB   ALA  59          1HB       ALA  59   5.490  -0.894   6.613
  558   2HB   ALA  59          2HB       ALA  59   4.988  -0.285   5.036
  559   3HB   ALA  59          3HB       ALA  59   5.330   0.841   6.349
  560    H    ALA  60           HN       ALA  60   8.105  -2.018   6.593
  561    HA   ALA  60           HA       ALA  60   8.566  -4.179   6.127
  562   1HB   ALA  60          1HB       ALA  60   6.954  -3.794   3.612
  563   2HB   ALA  60          2HB       ALA  60   6.312  -4.289   5.178
  564   3HB   ALA  60          3HB       ALA  60   7.446  -5.333   4.320
  565    H    LEU  61           HN       LEU  61   9.770  -1.645   4.479
  566    HA   LEU  61           HA       LEU  61  11.207  -2.894   2.377
  567   1HB   LEU  61          2HB       LEU  61  11.008  -0.271   3.538
  568   2HB   LEU  61          1HB       LEU  61  12.695  -0.687   3.311
  569    HG   LEU  61           HG       LEU  61  11.792   0.541   1.391
  570   1HD1  LEU  61          1HD1      LEU  61  12.545  -0.976  -0.359
  571   2HD1  LEU  61          2HD1      LEU  61  12.437  -2.333   0.761
  572   3HD1  LEU  61          3HD1      LEU  61  13.610  -1.048   1.046
  573   1HD2  LEU  61          1HD2      LEU  61  10.147  -0.540  -0.084
  574   2HD2  LEU  61          2HD2      LEU  61   9.475  -0.161   1.502
  575   3HD2  LEU  61          3HD2      LEU  61   9.934  -1.819   1.110
  576    H    SER  62           HN       SER  62  12.631  -4.447   2.672
  577    HA   SER  62           HA       SER  62  14.251  -5.777   3.513
  578   1HB   SER  62          2HB       SER  62  15.146  -3.189   4.771
  579   2HB   SER  62          1HB       SER  62  16.129  -4.650   4.652
  580    HG   SER  62           HG       SER  62  15.616  -4.426   2.277
  581    H    SER  63           HN       SER  63  11.779  -4.930   5.137
  582    HA   SER  63           HA       SER  63  12.555  -6.217   7.644
  583   1HB   SER  63          2HB       SER  63  10.637  -3.894   7.414
  584   2HB   SER  63          1HB       SER  63  11.195  -4.654   8.905
  585    HG   SER  63           HG       SER  63  12.729  -3.140   7.052
  586    H    ASP  64           HN       ASP  64  11.564  -7.348   5.374
  587    HA   ASP  64           HA       ASP  64   8.892  -7.543   4.868
  588   1HB   ASP  64          2HB       ASP  64  10.749  -9.923   4.854
  589   2HB   ASP  64          1HB       ASP  64   9.347  -9.647   3.827
  590    H    VAL  65           HN       VAL  65   7.464  -7.612   6.515
  591    HA   VAL  65           HA       VAL  65   7.635  -9.507   8.670
  592    HB   VAL  65           HB       VAL  65   5.205  -7.945   7.764
  593   1HG1  VAL  65          1HG1      VAL  65   5.912  -9.110  10.460
  594   2HG1  VAL  65          2HG1      VAL  65   4.749  -9.788   9.322
  595   3HG1  VAL  65          3HG1      VAL  65   4.445  -8.218  10.064
  596   1HG2  VAL  65          1HG2      VAL  65   7.091  -6.429   8.175
  597   2HG2  VAL  65          2HG2      VAL  65   7.297  -7.127   9.782
  598   3HG2  VAL  65          3HG2      VAL  65   5.824  -6.242   9.386
  599    H    ILE  66           HN       ILE  66   4.966  -9.041   6.411
  600    HA   ILE  66           HA       ILE  66   5.175 -11.736   5.409
  601    HB   ILE  66           HB       ILE  66   2.492 -11.762   5.877
  602   1HG1  ILE  66          2HG1      ILE  66   2.297 -11.400   8.388
  603   2HG1  ILE  66          1HG1      ILE  66   3.803 -10.501   8.288
  604   1HG2  ILE  66          1HG2      ILE  66   4.680 -12.954   7.559
  605   2HG2  ILE  66          2HG2      ILE  66   3.948 -13.649   6.114
  606   3HG2  ILE  66          3HG2      ILE  66   2.994 -13.468   7.585
  607   1HD1  ILE  66          1HD1      ILE  66   1.252  -9.809   6.855
  608   2HD1  ILE  66          2HD1      ILE  66   2.759  -8.896   6.792
  609   3HD1  ILE  66          3HD1      ILE  66   1.871  -9.030   8.311
  610    H    SER  67           HN       SER  67   3.263  -8.756   5.503
  611    HA   SER  67           HA       SER  67   2.352  -7.453   3.902
  612   1HB   SER  67          2HB       SER  67   4.479  -7.667   2.700
  613   2HB   SER  67          1HB       SER  67   3.915  -9.159   1.952
  614    HG   SER  67           HG       SER  67   2.822  -6.548   1.638
  615    H    ALA  68           HN       ALA  68   2.417 -10.811   2.706
  616    HA   ALA  68           HA       ALA  68  -0.439 -10.573   2.072
  617   1HB   ALA  68          1HB       ALA  68  -0.145 -12.713   0.921
  618   2HB   ALA  68          2HB       ALA  68   1.536 -12.769   1.454
  619   3HB   ALA  68          3HB       ALA  68   1.007 -11.509   0.338
  620    H    LEU  69           HN       LEU  69  -1.774 -11.062   3.675
  621    HA   LEU  69           HA       LEU  69  -2.812 -12.134   5.361
  622   1HB   LEU  69          2HB       LEU  69  -0.990 -14.447   4.695
  623   2HB   LEU  69          1HB       LEU  69  -2.452 -14.524   5.663
  624    HG   LEU  69           HG       LEU  69  -2.337 -13.827   2.725
  625   1HD1  LEU  69          1HD1      LEU  69  -3.304 -16.321   4.116
  626   2HD1  LEU  69          2HD1      LEU  69  -1.842 -16.178   3.139
  627   3HD1  LEU  69          3HD1      LEU  69  -3.425 -15.986   2.389
  628   1HD2  LEU  69          1HD2      LEU  69  -4.704 -14.253   4.544
  629   2HD2  LEU  69          2HD2      LEU  69  -4.767 -13.961   2.805
  630   3HD2  LEU  69          3HD2      LEU  69  -4.171 -12.704   3.891
  631    H    SER  70           HN       SER  70  -2.340 -11.095   7.146
  632    HA   SER  70           HA       SER  70   0.286 -10.774   8.139
  633   1HB   SER  70          2HB       SER  70  -2.392 -10.044   9.305
  634   2HB   SER  70          1HB       SER  70  -0.840  -9.478   9.929
  635    HG   SER  70           HG       SER  70  -1.476  -7.896   8.574
  636    H    SER  71           HN       SER  71   0.492 -13.246   8.252
  637    HA   SER  71           HA       SER  71   0.994 -15.060   9.512
  638   1HB   SER  71          2HB       SER  71   1.820 -13.350  11.165
  639   2HB   SER  71          1HB       SER  71   0.236 -13.401  11.934
  640    HG   SER  71           HG       SER  71   1.055 -14.989  13.036
  641    H    GLN  72           HN       GLN  72  -1.915 -13.824   9.041
  642    HA   GLN  72           HA       GLN  72  -3.400 -15.654  10.752
  643   1HB   GLN  72          2HB       GLN  72  -5.343 -14.253   9.568
  644   2HB   GLN  72          1HB       GLN  72  -4.503 -13.688  11.003
  645   1HG   GLN  72          2HG       GLN  72  -4.188 -11.810   9.847
  646   2HG   GLN  72          1HG       GLN  72  -2.920 -12.699   8.998
  647   1HE2  GLN  72          1HE2      GLN  72  -6.101 -11.350   8.821
  648   2HE2  GLN  72          2HE2      GLN  72  -6.336 -11.597   7.115
  649    H    LYS  73           HN       LYS  73  -3.557 -17.612   9.892
  650    HA   LYS  73           HA       LYS  73  -4.100 -17.908   7.069
  651   1HB   LYS  73          2HB       LYS  73  -3.992 -20.348   7.515
  652   2HB   LYS  73          1HB       LYS  73  -2.543 -19.478   7.983
  653   1HG   LYS  73          2HG       LYS  73  -4.667 -20.214   9.971
  654   2HG   LYS  73          1HG       LYS  73  -3.346 -21.301   9.540
  655   1HD   LYS  73          2HD       LYS  73  -3.007 -18.506  10.617
  656   2HD   LYS  73          1HD       LYS  73  -2.891 -19.979  11.582
  657   1HE   LYS  73          2HE       LYS  73  -0.972 -20.707  10.312
  658   2HE   LYS  73          1HE       LYS  73  -1.139 -19.344   9.205
  659   1HZ   LYS  73          1HZ       LYS  73   0.588 -18.873  10.782
  660   2HZ   LYS  73          2HZ       LYS  73  -0.432 -19.217  12.090
  661   3HZ   LYS  73          3HZ       LYS  73  -0.726 -17.858  11.122
  662    H    LYS  74           HN       LYS  74  -6.071 -17.444   6.481
  663    HA   LYS  74           HA       LYS  74  -8.311 -18.455   8.096
  664   1HB   LYS  74          2HB       LYS  74  -8.151 -15.922   6.449
  665   2HB   LYS  74          1HB       LYS  74  -9.634 -16.539   7.160
  666   1HG   LYS  74          2HG       LYS  74  -8.737 -16.250   9.380
  667   2HG   LYS  74          1HG       LYS  74  -7.184 -15.737   8.715
  668   1HD   LYS  74          2HD       LYS  74  -8.206 -13.781   7.732
  669   2HD   LYS  74          1HD       LYS  74  -9.807 -14.320   8.239
  670   1HE   LYS  74          2HE       LYS  74  -7.539 -13.626  10.102
  671   2HE   LYS  74          1HE       LYS  74  -8.865 -12.546   9.685
  672   1HZ   LYS  74          1HZ       LYS  74  -9.637 -13.445  11.613
  673   2HZ   LYS  74          2HZ       LYS  74  -8.880 -14.942  11.374
  674   3HZ   LYS  74          3HZ       LYS  74 -10.287 -14.560  10.513
  Start of MODEL   11
    1    H    HIS  -9           H        HIS  -9  19.962   1.963 -10.721
    2    HA   HIS  -9           HA       HIS  -9  21.332   1.027 -13.170
    3   1HB   HIS  -9          2HB       HIS  -9  18.579   0.569 -12.033
    4   2HB   HIS  -9          1HB       HIS  -9  18.900   0.382 -13.752
    5    HD1  HIS  -9           1HD      HIS  -9  18.427  -1.714 -11.069
    6    HD2  HIS  -9           2HD      HIS  -9  21.518  -1.376 -13.835
    7    HE1  HIS  -9           1HE      HIS  -9  19.600  -3.939 -11.055
    8    HE2  HIS  -9           2HE      HIS  -9  21.564  -3.656 -12.618
    9    H    SER  -8           HN       SER  -8  18.175   2.566 -12.608
   10    HA   SER  -8           HA       SER  -8  19.058   5.069 -13.707
   11   1HB   SER  -8          2HB       SER  -8  18.738   3.572 -15.732
   12   2HB   SER  -8          1HB       SER  -8  17.028   3.504 -15.317
   13    HG   SER  -8           HG       SER  -8  16.941   5.780 -15.555
   14    H    SER  -7           HN       SER  -7  16.047   3.160 -13.467
   15    HA   SER  -7           HA       SER  -7  14.651   5.454 -12.391
   16   1HB   SER  -7          2HB       SER  -7  13.700   2.627 -12.899
   17   2HB   SER  -7          1HB       SER  -7  12.672   4.000 -12.492
   18    HG   SER  -7           HG       SER  -7  13.350   5.001 -14.427
   19    H    GLY  -6           HN       GLY  -6  16.752   4.592 -10.748
   20   1HA   GLY  -6          2HA       GLY  -6  15.499   3.279  -8.466
   21   2HA   GLY  -6          1HA       GLY  -6  17.156   3.875  -8.552
   22    H    HIS  -5           HN       HIS  -5  15.570   6.288  -9.821
   23    HA   HIS  -5           HA       HIS  -5  15.504   7.907  -7.466
   24   1HB   HIS  -5          2HB       HIS  -5  16.165   9.024  -9.451
   25   2HB   HIS  -5          1HB       HIS  -5  14.812   8.374 -10.366
   26    HD1  HIS  -5           1HD      HIS  -5  15.567  10.961  -7.695
   27    HD2  HIS  -5           2HD      HIS  -5  12.563   9.935 -10.385
   28    HE1  HIS  -5           1HE      HIS  -5  13.891  12.835  -7.592
   29    HE2  HIS  -5           2HE      HIS  -5  12.152  12.262  -9.329
   30    H    ILE  -4           HN       ILE  -4  13.846   8.181  -6.136
   31    HA   ILE  -4           HA       ILE  -4  11.212   7.248  -6.996
   32    HB   ILE  -4           HB       ILE  -4  12.037   6.395  -4.845
   33   1HG1  ILE  -4          2HG1      ILE  -4  10.028   6.945  -3.499
   34   2HG1  ILE  -4          1HG1      ILE  -4   9.654   8.240  -4.634
   35   1HG2  ILE  -4          1HG2      ILE  -4  11.932   9.254  -3.915
   36   2HG2  ILE  -4          2HG2      ILE  -4  13.387   8.283  -4.144
   37   3HG2  ILE  -4          3HG2      ILE  -4  12.222   7.843  -2.895
   38   1HD1  ILE  -4          1HD1      ILE  -4   9.779   5.300  -5.263
   39   2HD1  ILE  -4          2HD1      ILE  -4   9.456   6.583  -6.429
   40   3HD1  ILE  -4          3HD1      ILE  -4   8.323   6.283  -5.112
   41    H    GLU  -3           HN       GLU  -3   9.737   8.610  -7.648
   42    HA   GLU  -3           HA       GLU  -3  10.354  11.417  -7.760
   43   1HB   GLU  -3          2HB       GLU  -3   7.831  10.039  -8.683
   44   2HB   GLU  -3          1HB       GLU  -3   8.467  11.582  -9.233
   45   1HG   GLU  -3          2HG       GLU  -3   9.153  10.308 -10.968
   46   2HG   GLU  -3          1HG       GLU  -3  10.534  10.046  -9.903
   47    H    GLY  -2           HN       GLY  -2   9.800  10.379  -5.092
   48   1HA   GLY  -2          2HA       GLY  -2   8.697  11.068  -3.194
   49   2HA   GLY  -2          1HA       GLY  -2   8.066  12.409  -4.143
   50    H    ARG  -1           HN       ARG  -1   7.628   8.988  -4.727
   51    HA   ARG  -1           HA       ARG  -1   4.799   9.197  -3.969
   52   1HB   ARG  -1          2HB       ARG  -1   4.146   7.916  -5.925
   53   2HB   ARG  -1          1HB       ARG  -1   5.040   9.338  -6.456
   54   1HG   ARG  -1          2HG       ARG  -1   7.054   7.978  -6.715
   55   2HG   ARG  -1          1HG       ARG  -1   6.147   6.555  -6.188
   56   1HD   ARG  -1          2HD       ARG  -1   4.819   6.557  -8.138
   57   2HD   ARG  -1          1HD       ARG  -1   5.322   8.194  -8.573
   58    HE   ARG  -1           HE       ARG  -1   7.607   7.195  -8.887
   59   1HH1  ARG  -1          1HH1      ARG  -1   4.709   5.250  -9.313
   60   2HH1  ARG  -1          2HH1      ARG  -1   5.494   4.119 -10.376
   61   1HH2  ARG  -1          1HH2      ARG  -1   8.600   5.761 -10.287
   62   2HH2  ARG  -1          2HH2      ARG  -1   7.721   4.404 -10.938
   63    H    HIS   0           HN       HIS   0   3.857   6.985  -3.592
   64    HA   HIS   0           HA       HIS   0   5.810   4.849  -3.504
   65   1HB   HIS   0          2HB       HIS   0   5.189   4.071  -1.257
   66   2HB   HIS   0          1HB       HIS   0   5.943   5.655  -1.212
   67    HD1  HIS   0           1HD      HIS   0   4.924   6.350   0.994
   68    HD2  HIS   0           2HD      HIS   0   2.095   5.234  -1.818
   69    HE1  HIS   0           1HE      HIS   0   2.708   7.069   1.941
   70    HE2  HIS   0           2HE      HIS   0   1.004   6.385   0.223
   71    H    MET   1           HN       MET   1   4.983   2.920  -4.035
   72    HA   MET   1           HA       MET   1   2.053   2.724  -4.198
   73   1HB   MET   1          2HB       MET   1   2.964   2.616  -6.424
   74   2HB   MET   1          1HB       MET   1   4.182   1.456  -5.932
   75   1HG   MET   1          2HG       MET   1   2.427  -0.198  -5.518
   76   2HG   MET   1          1HG       MET   1   1.217   0.969  -6.052
   77   1HE   MET   1          1HE       MET   1   1.685  -2.023  -7.212
   78   2HE   MET   1          2HE       MET   1   1.449  -1.747  -8.938
   79   3HE   MET   1          3HE       MET   1   0.375  -0.980  -7.763
   80    H    LEU   2           HN       LEU   2   1.471   1.700  -2.367
   81    HA   LEU   2           HA       LEU   2   3.140  -0.554  -1.519
   82   1HB   LEU   2          2HB       LEU   2   2.655   1.266   0.195
   83   2HB   LEU   2          1HB       LEU   2   0.965   0.772   0.108
   84    HG   LEU   2           HG       LEU   2   2.487  -0.168   2.006
   85   1HD1  LEU   2          1HD1      LEU   2   1.199  -2.230   2.066
   86   2HD1  LEU   2          2HD1      LEU   2   0.727  -1.998   0.380
   87   3HD1  LEU   2          3HD1      LEU   2   0.179  -0.863   1.617
   88   1HD2  LEU   2          1HD2      LEU   2   3.168  -2.024  -0.269
   89   2HD2  LEU   2          2HD2      LEU   2   3.553  -2.289   1.432
   90   3HD2  LEU   2          3HD2      LEU   2   4.287  -0.943   0.560
   91    H    VAL   3           HN       VAL   3   2.455  -2.513  -1.719
   92    HA   VAL   3           HA       VAL   3  -0.133  -2.880  -3.008
   93    HB   VAL   3           HB       VAL   3   2.014  -3.438  -4.165
   94   1HG1  VAL   3          1HG1      VAL   3   3.071  -5.584  -3.652
   95   2HG1  VAL   3          2HG1      VAL   3   2.084  -5.699  -2.194
   96   3HG1  VAL   3          3HG1      VAL   3   3.259  -4.394  -2.363
   97   1HG2  VAL   3          1HG2      VAL   3   0.000  -5.638  -3.835
   98   2HG2  VAL   3          2HG2      VAL   3   1.168  -5.503  -5.150
   99   3HG2  VAL   3          3HG2      VAL   3  -0.088  -4.280  -4.955
  100    H    LEU   4           HN       LEU   4  -1.620  -4.299  -2.287
  101    HA   LEU   4           HA       LEU   4  -1.286  -5.320   0.461
  102   1HB   LEU   4          2HB       LEU   4  -3.289  -3.728  -0.778
  103   2HB   LEU   4          1HB       LEU   4  -4.009  -5.300  -0.482
  104    HG   LEU   4           HG       LEU   4  -2.891  -3.360   1.547
  105   1HD1  LEU   4          1HD1      LEU   4  -5.155  -2.942   0.810
  106   2HD1  LEU   4          2HD1      LEU   4  -5.150  -3.530   2.473
  107   3HD1  LEU   4          3HD1      LEU   4  -5.603  -4.614   1.155
  108   1HD2  LEU   4          1HD2      LEU   4  -3.380  -5.031   3.261
  109   2HD2  LEU   4          2HD2      LEU   4  -2.132  -5.608   2.155
  110   3HD2  LEU   4          3HD2      LEU   4  -3.784  -6.211   2.013
  111    H    SER   5           HN       SER   5  -1.806  -7.478   0.861
  112    HA   SER   5           HA       SER   5  -1.839  -9.117  -1.526
  113   1HB   SER   5          2HB       SER   5  -1.761 -10.054   1.346
  114   2HB   SER   5          1HB       SER   5  -1.275 -10.948  -0.094
  115    HG   SER   5           HG       SER   5   0.279  -9.563   1.426
  116    H    ARG   6           HN       ARG   6  -3.727  -9.463  -2.432
  117    HA   ARG   6           HA       ARG   6  -5.946 -10.493  -0.889
  118   1HB   ARG   6          2HB       ARG   6  -6.066  -7.892  -2.430
  119   2HB   ARG   6          1HB       ARG   6  -7.507  -8.858  -2.130
  120   1HG   ARG   6          2HG       ARG   6  -5.711  -7.770   0.020
  121   2HG   ARG   6          1HG       ARG   6  -7.164  -6.968  -0.571
  122   1HD   ARG   6          2HD       ARG   6  -7.332  -9.781   0.400
  123   2HD   ARG   6          1HD       ARG   6  -7.252  -8.464   1.569
  124    HE   ARG   6           HE       ARG   6  -9.296  -8.396  -0.545
  125   1HH1  ARG   6          1HH1      ARG   6  -8.474  -8.701   2.860
  126   2HH1  ARG   6          2HH1      ARG   6 -10.101  -8.409   3.392
  127   1HH2  ARG   6          1HH2      ARG   6 -11.401  -7.986   0.162
  128   2HH2  ARG   6          2HH2      ARG   6 -11.770  -8.001   1.867
  129    H    LYS   7           HN       LYS   7  -6.560 -12.209  -2.022
  130    HA   LYS   7           HA       LYS   7  -5.430 -12.468  -4.703
  131   1HB   LYS   7          2HB       LYS   7  -6.772 -14.748  -3.322
  132   2HB   LYS   7          1HB       LYS   7  -5.307 -14.735  -4.295
  133   1HG   LYS   7          2HG       LYS   7  -5.576 -13.768  -1.453
  134   2HG   LYS   7          1HG       LYS   7  -4.761 -15.240  -1.993
  135   1HD   LYS   7          2HD       LYS   7  -2.956 -14.094  -2.789
  136   2HD   LYS   7          1HD       LYS   7  -3.886 -12.619  -3.087
  137   1HE   LYS   7          2HE       LYS   7  -2.464 -12.217  -1.213
  138   2HE   LYS   7          1HE       LYS   7  -4.112 -12.344  -0.630
  139   1HZ   LYS   7          1HZ       LYS   7  -2.208 -14.616  -0.566
  140   2HZ   LYS   7          2HZ       LYS   7  -3.715 -14.505   0.206
  141   3HZ   LYS   7          3HZ       LYS   7  -2.420 -13.546   0.731
  142    H    ILE   8           HN       ILE   8  -7.695 -10.856  -4.165
  143    HA   ILE   8           HA       ILE   8  -9.943 -12.367  -5.253
  144    HB   ILE   8           HB       ILE   8 -10.178  -9.790  -3.727
  145   1HG1  ILE   8          2HG1      ILE   8  -9.976 -12.621  -2.646
  146   2HG1  ILE   8          1HG1      ILE   8  -8.898 -11.276  -2.285
  147   1HG2  ILE   8          1HG2      ILE   8 -12.065 -12.111  -4.147
  148   2HG2  ILE   8          2HG2      ILE   8 -12.140 -10.551  -4.964
  149   3HG2  ILE   8          3HG2      ILE   8 -12.417 -10.648  -3.227
  150   1HD1  ILE   8          1HD1      ILE   8 -10.722 -10.146  -1.115
  151   2HD1  ILE   8          2HD1      ILE   8 -10.392 -11.737  -0.431
  152   3HD1  ILE   8          3HD1      ILE   8 -11.793 -11.499  -1.477
  153    H    ASN   9           HN       ASN   9  -7.743  -9.862  -5.830
  154    HA   ASN   9           HA       ASN   9  -7.535  -8.152  -7.321
  155   1HB   ASN   9          2HB       ASN   9  -9.416  -9.639  -9.134
  156   2HB   ASN   9          1HB       ASN   9  -8.050  -8.626  -9.562
  157   1HD2  ASN   9          1HD2      ASN   9  -8.625 -11.307 -10.412
  158   2HD2  ASN   9          2HD2      ASN   9  -7.264 -12.270  -9.942
  159    H    GLU  10           HN       GLU  10  -9.618  -7.976  -5.406
  160    HA   GLU  10           HA       GLU  10 -11.958  -6.884  -6.603
  161   1HB   GLU  10          2HB       GLU  10 -12.476  -6.173  -4.280
  162   2HB   GLU  10          1HB       GLU  10 -12.089  -7.882  -4.413
  163   1HG   GLU  10          2HG       GLU  10  -9.782  -7.370  -3.670
  164   2HG   GLU  10          1HG       GLU  10 -10.276  -5.695  -3.419
  165    H    ALA  11           HN       ALA  11 -12.619  -4.613  -5.807
  166    HA   ALA  11           HA       ALA  11 -10.406  -2.813  -6.525
  167   1HB   ALA  11          1HB       ALA  11 -12.223  -2.822  -8.155
  168   2HB   ALA  11          2HB       ALA  11 -12.136  -1.265  -7.330
  169   3HB   ALA  11          3HB       ALA  11 -13.383  -2.430  -6.886
  170    H    ILE  12           HN       ILE  12  -9.844  -1.247  -5.095
  171    HA   ILE  12           HA       ILE  12 -11.307  -1.343  -2.553
  172    HB   ILE  12           HB       ILE  12  -8.448  -0.476  -2.999
  173   1HG1  ILE  12          2HG1      ILE  12  -8.697  -2.851  -3.535
  174   2HG1  ILE  12          1HG1      ILE  12  -7.828  -2.652  -2.018
  175   1HG2  ILE  12          1HG2      ILE  12  -8.256  -0.708  -0.570
  176   2HG2  ILE  12          2HG2      ILE  12  -9.964  -1.128  -0.474
  177   3HG2  ILE  12          3HG2      ILE  12  -9.482   0.482  -1.009
  178   1HD1  ILE  12          1HD1      ILE  12  -9.826  -3.203  -0.767
  179   2HD1  ILE  12          2HD1      ILE  12  -9.441  -4.482  -1.921
  180   3HD1  ILE  12          3HD1      ILE  12 -10.745  -3.346  -2.266
  181    H    GLN  13           HN       GLN  13 -12.659   0.282  -2.410
  182    HA   GLN  13           HA       GLN  13 -11.614   3.004  -2.839
  183   1HB   GLN  13          2HB       GLN  13 -13.523   2.370  -4.345
  184   2HB   GLN  13          1HB       GLN  13 -14.510   2.121  -2.916
  185   1HG   GLN  13          2HG       GLN  13 -13.189   4.760  -3.401
  186   2HG   GLN  13          1HG       GLN  13 -14.698   4.352  -4.217
  187   1HE2  GLN  13          1HE2      GLN  13 -13.150   5.330  -1.370
  188   2HE2  GLN  13          2HE2      GLN  13 -14.547   5.537  -0.380
  189    H    ILE  14           HN       ILE  14 -10.873   3.463  -0.865
  190    HA   ILE  14           HA       ILE  14 -12.774   3.129   1.338
  191    HB   ILE  14           HB       ILE  14 -10.836   3.530   2.877
  192   1HG1  ILE  14          2HG1      ILE  14  -9.381   4.430   0.906
  193   2HG1  ILE  14          1HG1      ILE  14  -8.623   3.494   2.186
  194   1HG2  ILE  14          1HG2      ILE  14 -10.751   1.078   1.128
  195   2HG2  ILE  14          2HG2      ILE  14 -11.770   1.328   2.548
  196   3HG2  ILE  14          3HG2      ILE  14 -10.019   1.222   2.727
  197   1HD1  ILE  14          1HD1      ILE  14  -9.417   2.473  -0.531
  198   2HD1  ILE  14          2HD1      ILE  14  -8.689   1.511   0.754
  199   3HD1  ILE  14          3HD1      ILE  14  -7.783   2.832   0.021
  200    H    GLY  15           HN       GLY  15 -13.926   4.808   1.600
  201   1HA   GLY  15          2HA       GLY  15 -14.446   6.868   2.375
  202   2HA   GLY  15          1HA       GLY  15 -12.740   7.277   2.430
  203    H    ALA  16           HN       ALA  16 -11.755   7.600   0.212
  204    HA   ALA  16           HA       ALA  16 -13.192   8.386  -2.005
  205   1HB   ALA  16          1HB       ALA  16 -13.355  10.811  -1.808
  206   2HB   ALA  16          2HB       ALA  16 -12.730  10.734  -0.160
  207   3HB   ALA  16          3HB       ALA  16 -14.301  10.028  -0.541
  208    H    ASP  17           HN       ASP  17 -10.501   8.890   0.138
  209    HA   ASP  17           HA       ASP  17  -8.861  10.275  -1.727
  210   1HB   ASP  17          2HB       ASP  17  -8.497  10.444   0.717
  211   2HB   ASP  17          1HB       ASP  17  -8.025   8.747   0.754
  212    H    ILE  18           HN       ILE  18  -9.409   6.880  -0.935
  213    HA   ILE  18           HA       ILE  18  -7.492   6.256  -3.090
  214    HB   ILE  18           HB       ILE  18  -7.921   4.594  -0.604
  215   1HG1  ILE  18          2HG1      ILE  18  -6.588   6.658  -0.229
  216   2HG1  ILE  18          1HG1      ILE  18  -5.641   5.192  -0.014
  217   1HG2  ILE  18          1HG2      ILE  18  -6.127   3.186  -1.487
  218   2HG2  ILE  18          2HG2      ILE  18  -6.056   4.180  -2.942
  219   3HG2  ILE  18          3HG2      ILE  18  -7.502   3.233  -2.592
  220   1HD1  ILE  18          1HD1      ILE  18  -5.616   6.983  -2.430
  221   2HD1  ILE  18          2HD1      ILE  18  -4.679   5.501  -2.244
  222   3HD1  ILE  18          3HD1      ILE  18  -4.368   6.880  -1.188
  223    H    GLU  19           HN       GLU  19  -8.732   5.753  -4.744
  224    HA   GLU  19           HA       GLU  19 -10.342   3.313  -4.448
  225   1HB   GLU  19          2HB       GLU  19 -11.906   5.163  -4.838
  226   2HB   GLU  19          1HB       GLU  19 -10.969   5.678  -6.236
  227   1HG   GLU  19          2HG       GLU  19 -11.448   3.270  -7.100
  228   2HG   GLU  19          1HG       GLU  19 -12.760   3.314  -5.924
  229    H    VAL  20           HN       VAL  20  -9.209   1.749  -5.486
  230    HA   VAL  20           HA       VAL  20  -8.539   1.869  -8.201
  231    HB   VAL  20           HB       VAL  20  -6.874   3.545  -7.432
  232   1HG1  VAL  20          1HG1      VAL  20  -6.393   2.649  -5.220
  233   2HG1  VAL  20          2HG1      VAL  20  -4.914   2.842  -6.159
  234   3HG1  VAL  20          3HG1      VAL  20  -5.619   1.240  -5.949
  235   1HG2  VAL  20          1HG2      VAL  20  -6.466   2.250  -9.458
  236   2HG2  VAL  20          2HG2      VAL  20  -5.652   1.006  -8.506
  237   3HG2  VAL  20          3HG2      VAL  20  -4.959   2.625  -8.623
  238    H    LYS  21           HN       LYS  21  -7.897  -0.103  -8.988
  239    HA   LYS  21           HA       LYS  21  -6.586  -1.938  -7.125
  240   1HB   LYS  21          2HB       LYS  21  -7.674  -3.792  -8.663
  241   2HB   LYS  21          1HB       LYS  21  -8.487  -3.180  -7.237
  242   1HG   LYS  21          2HG       LYS  21 -10.133  -3.302  -8.875
  243   2HG   LYS  21          1HG       LYS  21  -9.710  -1.589  -8.796
  244   1HD   LYS  21          2HD       LYS  21  -8.282  -1.888 -10.786
  245   2HD   LYS  21          1HD       LYS  21  -8.755  -3.586 -10.854
  246   1HE   LYS  21          2HE       LYS  21 -10.087  -2.376 -12.430
  247   2HE   LYS  21          1HE       LYS  21 -11.119  -2.854 -11.084
  248   1HZ   LYS  21          1HZ       LYS  21 -10.910  -0.616 -10.180
  249   2HZ   LYS  21          2HZ       LYS  21 -11.538  -0.571 -11.751
  250   3HZ   LYS  21          3HZ       LYS  21  -9.917  -0.167 -11.478
  251    H    VAL  22           HN       VAL  22  -4.604  -1.511  -7.797
  252    HA   VAL  22           HA       VAL  22  -4.017  -2.211 -10.590
  253    HB   VAL  22           HB       VAL  22  -1.700  -1.301 -10.135
  254   1HG1  VAL  22          1HG1      VAL  22  -3.368  -0.064 -11.409
  255   2HG1  VAL  22          2HG1      VAL  22  -2.364   1.023 -10.451
  256   3HG1  VAL  22          3HG1      VAL  22  -4.001   0.635  -9.918
  257   1HG2  VAL  22          1HG2      VAL  22  -3.051  -0.157  -7.692
  258   2HG2  VAL  22          2HG2      VAL  22  -1.461   0.307  -8.300
  259   3HG2  VAL  22          3HG2      VAL  22  -1.733  -1.332  -7.705
  260    H    ILE  23           HN       ILE  23  -3.565  -4.229 -10.855
  261    HA   ILE  23           HA       ILE  23  -2.904  -5.836  -8.529
  262    HB   ILE  23           HB       ILE  23  -3.645  -6.632 -11.349
  263   1HG1  ILE  23          2HG1      ILE  23  -5.314  -6.865  -8.844
  264   2HG1  ILE  23          1HG1      ILE  23  -5.373  -5.430  -9.865
  265   1HG2  ILE  23          1HG2      ILE  23  -3.339  -8.315  -8.862
  266   2HG2  ILE  23          2HG2      ILE  23  -2.302  -8.360 -10.290
  267   3HG2  ILE  23          3HG2      ILE  23  -3.984  -8.880 -10.403
  268   1HD1  ILE  23          1HD1      ILE  23  -6.122  -6.791 -11.737
  269   2HD1  ILE  23          2HD1      ILE  23  -7.193  -6.983 -10.349
  270   3HD1  ILE  23          3HD1      ILE  23  -6.020  -8.240 -10.739
  271    H    ALA  24           HN       ALA  24  -1.026  -6.790  -8.167
  272    HA   ALA  24           HA       ALA  24   1.044  -6.610 -10.250
  273   1HB   ALA  24          1HB       ALA  24   2.690  -6.092  -8.533
  274   2HB   ALA  24          2HB       ALA  24   1.438  -6.146  -7.292
  275   3HB   ALA  24          3HB       ALA  24   1.401  -4.890  -8.527
  276    H    VAL  25           HN       VAL  25   2.811  -8.187  -9.939
  277    HA   VAL  25           HA       VAL  25   1.607 -10.723  -9.180
  278    HB   VAL  25           HB       VAL  25   2.622 -10.632 -11.375
  279   1HG1  VAL  25          1HG1      VAL  25   5.212 -10.008  -9.964
  280   2HG1  VAL  25          2HG1      VAL  25   4.298  -8.924 -11.013
  281   3HG1  VAL  25          3HG1      VAL  25   5.041 -10.376 -11.683
  282   1HG2  VAL  25          1HG2      VAL  25   4.171 -12.368  -9.459
  283   2HG2  VAL  25          2HG2      VAL  25   4.135 -12.574 -11.210
  284   3HG2  VAL  25          3HG2      VAL  25   2.658 -12.771 -10.269
  285    H    GLU  26           HN       GLU  26   2.017 -11.731  -7.397
  286    HA   GLU  26           HA       GLU  26   4.298 -10.920  -5.724
  287   1HB   GLU  26          2HB       GLU  26   1.979 -10.654  -4.827
  288   2HB   GLU  26          1HB       GLU  26   1.743 -12.384  -5.020
  289   1HG   GLU  26          2HG       GLU  26   2.175 -11.913  -2.731
  290   2HG   GLU  26          1HG       GLU  26   3.558 -12.778  -3.401
  291    H    GLY  27           HN       GLY  27   5.033 -12.493  -7.764
  292   1HA   GLY  27          2HA       GLY  27   6.136 -14.461  -8.240
  293   2HA   GLY  27          1HA       GLY  27   5.807 -14.988  -6.593
  294    H    ASP  28           HN       ASP  28   3.758 -15.880  -6.104
  295    HA   ASP  28           HA       ASP  28   2.112 -16.672  -8.399
  296   1HB   ASP  28          2HB       ASP  28   3.261 -18.521  -6.312
  297   2HB   ASP  28          1HB       ASP  28   1.817 -18.941  -7.228
  298    H    GLN  29           HN       GLN  29   2.093 -14.781  -6.098
  299    HA   GLN  29           HA       GLN  29  -0.579 -15.463  -5.069
  300   1HB   GLN  29          2HB       GLN  29   1.018 -15.271  -3.258
  301   2HB   GLN  29          1HB       GLN  29   1.641 -13.770  -3.920
  302   1HG   GLN  29          2HG       GLN  29  -0.143 -12.529  -3.185
  303   2HG   GLN  29          1HG       GLN  29  -1.212 -13.939  -3.043
  304   1HE2  GLN  29          1HE2      GLN  29   1.295 -12.068  -1.561
  305   2HE2  GLN  29          2HE2      GLN  29   1.206 -12.809  -0.002
  306    H    VAL  30           HN       VAL  30  -2.166 -13.777  -5.227
  307    HA   VAL  30           HA       VAL  30  -1.338 -11.693  -7.115
  308    HB   VAL  30           HB       VAL  30  -4.237 -12.385  -6.714
  309   1HG1  VAL  30          1HG1      VAL  30  -4.475 -11.596  -8.974
  310   2HG1  VAL  30          2HG1      VAL  30  -2.730 -11.447  -9.150
  311   3HG1  VAL  30          3HG1      VAL  30  -3.596 -10.398  -8.025
  312   1HG2  VAL  30          1HG2      VAL  30  -4.146 -14.055  -8.476
  313   2HG2  VAL  30          2HG2      VAL  30  -3.110 -14.532  -7.129
  314   3HG2  VAL  30          3HG2      VAL  30  -2.398 -13.863  -8.599
  315    H    LYS  31           HN       LYS  31  -1.346  -9.671  -6.455
  316    HA   LYS  31           HA       LYS  31  -3.093  -8.965  -4.240
  317   1HB   LYS  31          2HB       LYS  31  -1.341  -8.021  -2.951
  318   2HB   LYS  31          1HB       LYS  31  -0.845  -9.638  -3.406
  319   1HG   LYS  31          2HG       LYS  31   0.472  -8.573  -5.267
  320   2HG   LYS  31          1HG       LYS  31   0.126  -7.032  -4.496
  321   1HD   LYS  31          2HD       LYS  31   1.665  -9.355  -3.372
  322   2HD   LYS  31          1HD       LYS  31   2.237  -7.711  -3.672
  323   1HE   LYS  31          2HE       LYS  31   0.722  -6.871  -1.943
  324   2HE   LYS  31          1HE       LYS  31   0.139  -8.508  -1.655
  325   1HZ   LYS  31          1HZ       LYS  31   2.654  -8.977  -1.253
  326   2HZ   LYS  31          2HZ       LYS  31   1.694  -8.308  -0.028
  327   3HZ   LYS  31          3HZ       LYS  31   2.716  -7.308  -0.935
  328    H    LEU  32           HN       LEU  32  -3.738  -6.832  -4.155
  329    HA   LEU  32           HA       LEU  32  -3.281  -5.268  -6.599
  330   1HB   LEU  32          2HB       LEU  32  -5.295  -4.075  -6.028
  331   2HB   LEU  32          1HB       LEU  32  -5.609  -5.793  -5.952
  332    HG   LEU  32           HG       LEU  32  -4.956  -5.302  -3.366
  333   1HD1  LEU  32          1HD1      LEU  32  -6.135  -3.267  -2.677
  334   2HD1  LEU  32          2HD1      LEU  32  -6.370  -2.838  -4.370
  335   3HD1  LEU  32          3HD1      LEU  32  -4.743  -2.912  -3.700
  336   1HD2  LEU  32          1HD2      LEU  32  -6.896  -6.549  -4.168
  337   2HD2  LEU  32          2HD2      LEU  32  -7.689  -5.041  -4.621
  338   3HD2  LEU  32          3HD2      LEU  32  -7.362  -5.387  -2.924
  339    H    GLY  33           HN       GLY  33  -3.181  -2.799  -6.187
  340   1HA   GLY  33          2HA       GLY  33  -1.685  -2.349  -3.692
  341   2HA   GLY  33          1HA       GLY  33  -0.957  -1.942  -5.234
  342    H    ILE  34           HN       ILE  34  -1.630  -0.264  -2.895
  343    HA   ILE  34           HA       ILE  34  -3.241   1.696  -4.381
  344    HB   ILE  34           HB       ILE  34  -3.649   2.912  -2.367
  345   1HG1  ILE  34          2HG1      ILE  34  -2.266   0.897  -0.632
  346   2HG1  ILE  34          1HG1      ILE  34  -1.308   2.177  -1.393
  347   1HG2  ILE  34          1HG2      ILE  34  -4.911   1.252  -1.070
  348   2HG2  ILE  34          2HG2      ILE  34  -4.085  -0.034  -1.949
  349   3HG2  ILE  34          3HG2      ILE  34  -5.147   1.081  -2.808
  350   1HD1  ILE  34          1HD1      ILE  34  -2.757   3.845  -0.345
  351   2HD1  ILE  34          2HD1      ILE  34  -1.980   2.799   0.844
  352   3HD1  ILE  34          3HD1      ILE  34  -3.676   2.552   0.428
  353    H    ASP  35           HN       ASP  35  -2.200   3.313  -5.313
  354    HA   ASP  35           HA       ASP  35   0.529   3.884  -4.403
  355   1HB   ASP  35          2HB       ASP  35   0.924   3.056  -6.516
  356   2HB   ASP  35          1HB       ASP  35  -0.616   3.614  -7.145
  357    H    ALA  36           HN       ALA  36   0.999   5.869  -3.801
  358    HA   ALA  36           HA       ALA  36  -0.806   8.065  -4.495
  359   1HB   ALA  36          1HB       ALA  36  -0.952   8.801  -2.180
  360   2HB   ALA  36          2HB       ALA  36   0.003   7.411  -1.663
  361   3HB   ALA  36          3HB       ALA  36  -1.603   7.171  -2.353
  362    HA   PRO  37           HA       PRO  37   3.022  10.229  -4.949
  363   1HB   PRO  37          2HB       PRO  37   2.144  12.778  -4.854
  364   2HB   PRO  37          1HB       PRO  37   1.782  11.709  -6.213
  365   1HG   PRO  37          2HG       PRO  37   0.068  12.441  -3.873
  366   2HG   PRO  37          1HG       PRO  37  -0.370  12.328  -5.588
  367   1HD   PRO  37          2HD       PRO  37  -0.909  10.365  -3.789
  368   2HD   PRO  37          1HD       PRO  37  -0.601  10.043  -5.507
  369    H    LYS  38           HN       LYS  38   2.557   9.305  -2.311
  370    HA   LYS  38           HA       LYS  38   3.282   9.542  -0.187
  371   1HB   LYS  38          2HB       LYS  38   5.146  11.209  -1.780
  372   2HB   LYS  38          1HB       LYS  38   5.251  11.293  -0.025
  373   1HG   LYS  38          2HG       LYS  38   5.347   8.737  -1.599
  374   2HG   LYS  38          1HG       LYS  38   6.772   9.632  -1.068
  375   1HD   LYS  38          2HD       LYS  38   4.709   8.959   0.970
  376   2HD   LYS  38          1HD       LYS  38   5.730   7.648   0.367
  377   1HE   LYS  38          2HE       LYS  38   6.829   8.494   2.276
  378   2HE   LYS  38          1HE       LYS  38   7.718   9.105   0.883
  379   1HZ   LYS  38          1HZ       LYS  38   6.643  11.231   1.131
  380   2HZ   LYS  38          2HZ       LYS  38   7.372  10.796   2.598
  381   3HZ   LYS  38          3HZ       LYS  38   5.689  10.652   2.413
  382    H    HIS  39           HN       HIS  39   1.092  11.327  -1.086
  383    HA   HIS  39           HA       HIS  39   1.139  13.642   0.548
  384   1HB   HIS  39          2HB       HIS  39  -1.251  13.687   0.246
  385   2HB   HIS  39          1HB       HIS  39  -0.572  13.082  -1.263
  386    HD1  HIS  39           1HD      HIS  39  -0.180  10.209   0.467
  387    HD2  HIS  39           2HD      HIS  39  -3.648  12.231  -0.587
  388    HE1  HIS  39           1HE      HIS  39  -1.987   8.520   0.636
  389    HE2  HIS  39           2HE      HIS  39  -4.133   9.776   0.113
  390    H    ILE  40           HN       ILE  40  -0.777  13.570   2.383
  391    HA   ILE  40           HA       ILE  40  -0.071  11.447   4.245
  392    HB   ILE  40           HB       ILE  40  -1.307  12.659   5.932
  393   1HG1  ILE  40          2HG1      ILE  40  -2.986  13.513   4.123
  394   2HG1  ILE  40          1HG1      ILE  40  -2.700  14.483   5.569
  395   1HG2  ILE  40          1HG2      ILE  40   0.506  14.485   4.362
  396   2HG2  ILE  40          2HG2      ILE  40   0.987  13.331   5.605
  397   3HG2  ILE  40          3HG2      ILE  40   0.013  14.739   6.036
  398   1HD1  ILE  40          1HD1      ILE  40  -1.570  14.942   2.815
  399   2HD1  ILE  40          2HD1      ILE  40  -1.115  15.866   4.244
  400   3HD1  ILE  40          3HD1      ILE  40  -2.776  15.918   3.654
  401    H    ASP  41           HN       ASP  41  -1.672   9.999   5.004
  402    HA   ASP  41           HA       ASP  41  -3.810   9.681   3.073
  403   1HB   ASP  41          2HB       ASP  41  -4.120   7.453   4.309
  404   2HB   ASP  41          1HB       ASP  41  -2.656   7.700   3.354
  405    H    ILE  42           HN       ILE  42  -5.776  10.269   3.383
  406    HA   ILE  42           HA       ILE  42  -6.507  11.493   5.906
  407    HB   ILE  42           HB       ILE  42  -8.289  11.283   3.493
  408   1HG1  ILE  42          2HG1      ILE  42  -6.108  12.061   2.699
  409   2HG1  ILE  42          1HG1      ILE  42  -7.302  13.352   2.632
  410   1HG2  ILE  42          1HG2      ILE  42  -9.111  13.458   4.309
  411   2HG2  ILE  42          2HG2      ILE  42  -7.993  13.353   5.670
  412   3HG2  ILE  42          3HG2      ILE  42  -9.298  12.176   5.506
  413   1HD1  ILE  42          1HD1      ILE  42  -6.385  14.280   4.711
  414   2HD1  ILE  42          2HD1      ILE  42  -5.183  14.197   3.423
  415   3HD1  ILE  42          3HD1      ILE  42  -5.166  13.007   4.725
  416    H    HIS  43           HN       HIS  43  -8.121  10.798   7.268
  417    HA   HIS  43           HA       HIS  43  -9.581   8.367   6.485
  418   1HB   HIS  43          2HB       HIS  43  -8.602   8.713   9.309
  419   2HB   HIS  43          1HB       HIS  43  -9.139   7.245   8.487
  420    HD1  HIS  43           1HD      HIS  43  -6.164   8.697   9.712
  421    HD2  HIS  43           2HD      HIS  43  -7.155   6.723   6.187
  422    HE1  HIS  43           1HE      HIS  43  -3.992   7.907   8.730
  423    HE2  HIS  43           2HE      HIS  43  -4.585   6.900   6.531
  424    H    ARG  44           HN       ARG  44 -11.436   7.986   8.034
  425    HA   ARG  44           HA       ARG  44 -12.520  10.542   8.992
  426   1HB   ARG  44          2HB       ARG  44 -14.772   9.811   8.135
  427   2HB   ARG  44          1HB       ARG  44 -13.607  10.247   6.893
  428   1HG   ARG  44          2HG       ARG  44 -13.149   7.868   6.507
  429   2HG   ARG  44          1HG       ARG  44 -14.352   7.451   7.726
  430   1HD   ARG  44          2HD       ARG  44 -15.271   7.282   5.468
  431   2HD   ARG  44          1HD       ARG  44 -16.087   8.530   6.407
  432    HE   ARG  44           HE       ARG  44 -14.029   9.769   4.986
  433   1HH1  ARG  44          1HH1      ARG  44 -16.995   8.040   4.303
  434   2HH1  ARG  44          2HH1      ARG  44 -17.320   8.913   2.834
  435   1HH2  ARG  44          1HH2      ARG  44 -14.457  10.941   3.081
  436   2HH2  ARG  44          2HH2      ARG  44 -15.878  10.582   2.144
  437    H    LYS  45           HN       LYS  45 -12.662  10.323  11.094
  438    HA   LYS  45           HA       LYS  45 -13.071   9.516  13.173
  439   1HB   LYS  45          2HB       LYS  45 -15.298   8.929  12.489
  440   2HB   LYS  45          1HB       LYS  45 -14.725   7.503  11.636
  441   1HG   LYS  45          2HG       LYS  45 -14.017   6.563  13.826
  442   2HG   LYS  45          1HG       LYS  45 -14.779   7.949  14.608
  443   1HD   LYS  45          2HD       LYS  45 -16.931   7.324  13.792
  444   2HD   LYS  45          1HD       LYS  45 -16.237   6.081  12.749
  445   1HE   LYS  45          2HE       LYS  45 -16.215   6.094  15.766
  446   2HE   LYS  45          1HE       LYS  45 -17.234   5.088  14.738
  447   1HZ   LYS  45          1HZ       LYS  45 -15.156   4.125  13.808
  448   2HZ   LYS  45          2HZ       LYS  45 -15.387   3.792  15.453
  449   3HZ   LYS  45          3HZ       LYS  45 -14.276   4.980  14.982
  450    H    GLU  46           HN       GLU  46 -12.866   6.570  11.223
  451    HA   GLU  46           HA       GLU  46 -10.532   5.730  12.814
  452   1HB   GLU  46          2HB       GLU  46 -11.221   3.400  12.139
  453   2HB   GLU  46          1HB       GLU  46 -12.366   4.220  13.190
  454   1HG   GLU  46          2HG       GLU  46 -13.553   4.889  11.004
  455   2HG   GLU  46          1HG       GLU  46 -12.599   3.596  10.277
  456    H    ILE  47           HN       ILE  47  -8.849   4.546  11.580
  457    HA   ILE  47           HA       ILE  47  -8.398   5.885   9.099
  458    HB   ILE  47           HB       ILE  47  -6.326   4.725   8.889
  459   1HG1  ILE  47          2HG1      ILE  47  -7.179   3.047  11.262
  460   2HG1  ILE  47          1HG1      ILE  47  -7.033   2.483   9.602
  461   1HG2  ILE  47          1HG2      ILE  47  -5.234   5.393  10.978
  462   2HG2  ILE  47          2HG2      ILE  47  -6.814   5.529  11.752
  463   3HG2  ILE  47          3HG2      ILE  47  -6.390   6.604  10.417
  464   1HD1  ILE  47          1HD1      ILE  47  -5.130   1.795  10.932
  465   2HD1  ILE  47          2HD1      ILE  47  -4.784   3.476  11.336
  466   3HD1  ILE  47          3HD1      ILE  47  -4.634   2.921   9.670
  467    H    TYR  48           HN       TYR  48  -9.237   5.358   7.249
  468    HA   TYR  48           HA       TYR  48 -10.269   2.689   6.916
  469   1HB   TYR  48          2HB       TYR  48 -11.530   3.558   5.047
  470   2HB   TYR  48          1HB       TYR  48 -11.713   4.583   6.460
  471    HD1  TYR  48           1HD      TYR  48  -8.911   4.624   4.075
  472    HD2  TYR  48           2HD      TYR  48 -12.411   6.606   5.435
  473    HE1  TYR  48           1HE      TYR  48  -8.272   6.610   2.782
  474    HE2  TYR  48           2HE      TYR  48 -11.777   8.603   4.152
  475    HH   TYR  48           HH       TYR  48  -9.338   8.607   1.797
  476    H    LEU  49           HN       LEU  49  -7.422   4.222   6.253
  477    HA   LEU  49           HA       LEU  49  -6.895   2.827   3.749
  478   1HB   LEU  49          2HB       LEU  49  -5.636   5.043   5.220
  479   2HB   LEU  49          1HB       LEU  49  -4.520   3.964   4.406
  480    HG   LEU  49           HG       LEU  49  -6.616   4.624   2.582
  481   1HD1  LEU  49          1HD1      LEU  49  -6.981   6.589   4.002
  482   2HD1  LEU  49          2HD1      LEU  49  -6.328   7.025   2.421
  483   3HD1  LEU  49          3HD1      LEU  49  -5.276   7.011   3.836
  484   1HD2  LEU  49          1HD2      LEU  49  -4.740   5.493   1.275
  485   2HD2  LEU  49          2HD2      LEU  49  -4.355   3.927   1.987
  486   3HD2  LEU  49          3HD2      LEU  49  -3.705   5.404   2.700
  487    H    THR  50           HN       THR  50  -4.678   3.279   6.428
  488    HA   THR  50           HA       THR  50  -3.267   1.977   7.552
  489    HB   THR  50           HB       THR  50  -5.477   0.635   8.005
  490    HG1  THR  50           1HG      THR  50  -2.959  -0.651   8.392
  491   1HG2  THR  50          1HG2      THR  50  -5.441  -0.703   5.937
  492   2HG2  THR  50          2HG2      THR  50  -5.314  -1.723   7.372
  493   3HG2  THR  50          3HG2      THR  50  -3.878  -1.376   6.406
  494    H    ILE  51           HN       ILE  51  -3.952   1.207   4.278
  495    HA   ILE  51           HA       ILE  51  -1.984  -0.795   3.883
  496    HB   ILE  51           HB       ILE  51  -2.796   1.060   1.656
  497   1HG1  ILE  51          2HG1      ILE  51  -4.516  -1.169   2.776
  498   2HG1  ILE  51          1HG1      ILE  51  -4.800   0.538   3.070
  499   1HG2  ILE  51          1HG2      ILE  51  -2.768  -1.009   0.364
  500   2HG2  ILE  51          2HG2      ILE  51  -2.382  -1.922   1.824
  501   3HG2  ILE  51          3HG2      ILE  51  -1.230  -0.746   1.187
  502   1HD1  ILE  51          1HD1      ILE  51  -4.875  -0.840   0.402
  503   2HD1  ILE  51          2HD1      ILE  51  -5.139   0.884   0.672
  504   3HD1  ILE  51          3HD1      ILE  51  -6.264  -0.297   1.341
  505    H    GLN  52           HN       GLN  52  -1.945   2.623   2.812
  506    HA   GLN  52           HA       GLN  52   0.914   2.529   2.572
  507   1HB   GLN  52          2HB       GLN  52   0.835   4.671   1.702
  508   2HB   GLN  52          1HB       GLN  52  -0.742   4.044   1.237
  509   1HG   GLN  52          2HG       GLN  52  -1.864   5.339   2.795
  510   2HG   GLN  52          1HG       GLN  52  -0.429   5.568   3.790
  511   1HE2  GLN  52          1HE2      GLN  52  -0.500   7.771   3.859
  512   2HE2  GLN  52          2HE2      GLN  52  -0.242   8.772   2.466
  513    H    GLU  53           HN       GLU  53  -1.382   3.300   5.026
  514    HA   GLU  53           HA       GLU  53   0.167   5.110   6.546
  515   1HB   GLU  53          2HB       GLU  53  -2.366   4.587   6.650
  516   2HB   GLU  53          1HB       GLU  53  -1.911   3.228   7.674
  517   1HG   GLU  53          2HG       GLU  53  -1.112   6.047   8.321
  518   2HG   GLU  53          1HG       GLU  53  -2.671   5.381   8.797
  519    H    GLU  54           HN       GLU  54  -0.293   1.606   6.678
  520    HA   GLU  54           HA       GLU  54   1.514   1.035   8.750
  521   1HB   GLU  54          2HB       GLU  54   0.152  -0.437   6.577
  522   2HB   GLU  54          1HB       GLU  54   1.660  -1.170   7.154
  523   1HG   GLU  54          2HG       GLU  54   0.808  -1.291   9.391
  524   2HG   GLU  54          1HG       GLU  54  -0.607  -0.333   8.962
  525    H    ASN  55           HN       ASN  55   1.956   1.713   5.377
  526    HA   ASN  55           HA       ASN  55   4.769   0.888   5.550
  527   1HB   ASN  55          2HB       ASN  55   2.827   1.086   3.271
  528   2HB   ASN  55          1HB       ASN  55   4.559   0.969   2.972
  529   1HD2  ASN  55          1HD2      ASN  55   1.743  -0.660   4.260
  530   2HD2  ASN  55          2HD2      ASN  55   2.432  -2.245   4.305
  531    H    ASN  56           HN       ASN  56   3.576   2.983   3.046
  532    HA   ASN  56           HA       ASN  56   3.809   5.182   2.540
  533   1HB   ASN  56          2HB       ASN  56   2.884   5.447   4.904
  534   2HB   ASN  56          1HB       ASN  56   4.555   5.670   5.422
  535   1HD2  ASN  56          1HD2      ASN  56   2.290   7.529   5.516
  536   2HD2  ASN  56          2HD2      ASN  56   2.806   8.935   4.651
  537    H    ARG  57           HN       ARG  57   6.154   4.987   5.130
  538    HA   ARG  57           HA       ARG  57   8.233   6.107   3.434
  539   1HB   ARG  57          2HB       ARG  57   9.485   6.182   5.601
  540   2HB   ARG  57          1HB       ARG  57   7.948   7.042   5.649
  541   1HG   ARG  57          2HG       ARG  57   7.612   4.284   6.389
  542   2HG   ARG  57          1HG       ARG  57   8.827   5.067   7.404
  543   1HD   ARG  57          2HD       ARG  57   6.059   6.151   6.890
  544   2HD   ARG  57          1HD       ARG  57   6.497   5.178   8.291
  545    HE   ARG  57           HE       ARG  57   8.182   7.467   8.021
  546   1HH1  ARG  57          1HH1      ARG  57   5.033   6.383   9.125
  547   2HH1  ARG  57          2HH1      ARG  57   4.837   7.699  10.252
  548   1HH2  ARG  57          1HH2      ARG  57   7.920   9.195   9.520
  549   2HH2  ARG  57          2HH2      ARG  57   6.469   9.275  10.473
  550    H    ALA  58           HN       ALA  58   7.416   3.165   5.166
  551    HA   ALA  58           HA       ALA  58   9.709   1.827   3.916
  552   1HB   ALA  58          1HB       ALA  58   8.659   1.333   6.700
  553   2HB   ALA  58          2HB       ALA  58  10.179   2.128   6.288
  554   3HB   ALA  58          3HB       ALA  58   9.944   0.421   5.907
  555    H    ALA  59           HN       ALA  59   8.281   1.238   2.256
  556    HA   ALA  59           HA       ALA  59   6.157  -0.669   2.922
  557   1HB   ALA  59          1HB       ALA  59   5.672   1.073   1.267
  558   2HB   ALA  59          2HB       ALA  59   5.600  -0.530   0.534
  559   3HB   ALA  59          3HB       ALA  59   7.003   0.502   0.260
  560    H    ALA  60           HN       ALA  60   6.621  -2.797   2.970
  561    HA   ALA  60           HA       ALA  60   8.661  -3.874   1.159
  562   1HB   ALA  60          1HB       ALA  60   9.795  -5.064   2.958
  563   2HB   ALA  60          2HB       ALA  60   8.724  -4.311   4.142
  564   3HB   ALA  60          3HB       ALA  60   9.854  -3.320   3.216
  565    H    LEU  61           HN       LEU  61   5.621  -4.068   1.832
  566    HA   LEU  61           HA       LEU  61   5.366  -6.845   2.572
  567   1HB   LEU  61          2HB       LEU  61   3.276  -4.832   1.775
  568   2HB   LEU  61          1HB       LEU  61   2.941  -6.465   2.315
  569    HG   LEU  61           HG       LEU  61   4.223  -4.286   3.967
  570   1HD1  LEU  61          1HD1      LEU  61   1.842  -3.940   3.621
  571   2HD1  LEU  61          2HD1      LEU  61   2.165  -4.422   5.286
  572   3HD1  LEU  61          3HD1      LEU  61   1.510  -5.592   4.141
  573   1HD2  LEU  61          1HD2      LEU  61   3.490  -7.119   4.709
  574   2HD2  LEU  61          2HD2      LEU  61   4.071  -5.880   5.820
  575   3HD2  LEU  61          3HD2      LEU  61   5.125  -6.478   4.541
  576    H    SER  62           HN       SER  62   6.474  -7.772   0.852
  577    HA   SER  62           HA       SER  62   4.739  -8.673  -1.234
  578   1HB   SER  62          2HB       SER  62   7.309  -7.227  -1.989
  579   2HB   SER  62          1HB       SER  62   6.303  -8.155  -3.099
  580    HG   SER  62           HG       SER  62   4.935  -6.234  -1.685
  581    H    SER  63           HN       SER  63   4.966 -10.740  -0.744
  582    HA   SER  63           HA       SER  63   5.814 -12.792  -0.328
  583   1HB   SER  63          2HB       SER  63   8.230 -11.614  -1.696
  584   2HB   SER  63          1HB       SER  63   8.030 -13.330  -1.342
  585    HG   SER  63           HG       SER  63   6.148 -11.835  -2.866
  586    H    ASP  64           HN       ASP  64   6.774 -10.157   1.274
  587    HA   ASP  64           HA       ASP  64   8.126  -9.597   3.017
  588   1HB   ASP  64          2HB       ASP  64   6.393 -11.089   4.035
  589   2HB   ASP  64          1HB       ASP  64   7.537 -12.423   3.906
  590    H    VAL  65           HN       VAL  65   9.827  -9.624   1.372
  591    HA   VAL  65           HA       VAL  65  11.593 -11.664   0.829
  592    HB   VAL  65           HB       VAL  65  12.279  -8.730   1.081
  593   1HG1  VAL  65          1HG1      VAL  65  13.979  -9.232  -0.640
  594   2HG1  VAL  65          2HG1      VAL  65  13.559 -10.941  -0.533
  595   3HG1  VAL  65          3HG1      VAL  65  14.257 -10.117   0.860
  596   1HG2  VAL  65          1HG2      VAL  65  11.727  -8.587  -1.312
  597   2HG2  VAL  65          2HG2      VAL  65  10.327  -9.026  -0.331
  598   3HG2  VAL  65          3HG2      VAL  65  11.164 -10.260  -1.274
  599    H    ILE  66           HN       ILE  66  12.641  -8.943   2.801
  600    HA   ILE  66           HA       ILE  66  13.776 -10.817   4.750
  601    HB   ILE  66           HB       ILE  66  15.147  -8.318   3.723
  602   1HG1  ILE  66          2HG1      ILE  66  15.885 -11.229   3.326
  603   2HG1  ILE  66          1HG1      ILE  66  15.167 -10.194   2.096
  604   1HG2  ILE  66          1HG2      ILE  66  16.033 -10.387   5.730
  605   2HG2  ILE  66          2HG2      ILE  66  15.638  -8.698   6.057
  606   3HG2  ILE  66          3HG2      ILE  66  17.054  -9.101   5.085
  607   1HD1  ILE  66          1HD1      ILE  66  17.145  -8.754   2.172
  608   2HD1  ILE  66          2HD1      ILE  66  17.550 -10.419   1.755
  609   3HD1  ILE  66          3HD1      ILE  66  17.861  -9.818   3.384
  610    H    SER  67           HN       SER  67  12.835  -7.483   4.045
  611    HA   SER  67           HA       SER  67  11.451  -6.067   5.138
  612   1HB   SER  67          2HB       SER  67  10.065  -7.936   5.779
  613   2HB   SER  67          1HB       SER  67  11.161  -8.356   7.088
  614    HG   SER  67           HG       SER  67   9.082  -6.919   7.351
  615    H    ALA  68           HN       ALA  68  13.246  -7.775   7.728
  616    HA   ALA  68           HA       ALA  68  14.151  -5.175   8.732
  617   1HB   ALA  68          1HB       ALA  68  14.534  -7.943   9.875
  618   2HB   ALA  68          2HB       ALA  68  13.282  -6.796  10.358
  619   3HB   ALA  68          3HB       ALA  68  14.981  -6.428  10.656
  620    H    LEU  69           HN       LEU  69  15.986  -4.369   8.011
  621    HA   LEU  69           HA       LEU  69  18.068  -4.155   7.142
  622   1HB   LEU  69          2HB       LEU  69  18.505  -6.951   8.200
  623   2HB   LEU  69          1HB       LEU  69  19.757  -5.809   7.746
  624    HG   LEU  69           HG       LEU  69  17.808  -5.453  10.027
  625   1HD1  LEU  69          1HD1      LEU  69  19.766  -5.802  11.456
  626   2HD1  LEU  69          2HD1      LEU  69  20.748  -6.140  10.030
  627   3HD1  LEU  69          3HD1      LEU  69  19.422  -7.220  10.467
  628   1HD2  LEU  69          1HD2      LEU  69  18.458  -3.321   9.085
  629   2HD2  LEU  69          2HD2      LEU  69  20.158  -3.781   9.135
  630   3HD2  LEU  69          3HD2      LEU  69  19.262  -3.554  10.637
  631    H    SER  70           HN       SER  70  16.294  -4.650   5.256
  632    HA   SER  70           HA       SER  70  16.652  -6.921   3.662
  633   1HB   SER  70          2HB       SER  70  15.869  -4.119   2.836
  634   2HB   SER  70          1HB       SER  70  15.638  -5.574   1.867
  635    HG   SER  70           HG       SER  70  13.735  -5.075   2.969
  636    H    SER  71           HN       SER  71  17.767  -7.144   1.632
  637    HA   SER  71           HA       SER  71  19.707  -7.293   0.479
  638   1HB   SER  71          2HB       SER  71  19.889  -4.342   1.146
  639   2HB   SER  71          1HB       SER  71  20.901  -5.172  -0.035
  640    HG   SER  71           HG       SER  71  19.267  -5.278  -1.399
  641    H    GLN  72           HN       GLN  72  20.088  -8.525   2.605
  642    HA   GLN  72           HA       GLN  72  21.784  -7.457   4.583
  643   1HB   GLN  72          2HB       GLN  72  21.294 -10.342   3.827
  644   2HB   GLN  72          1HB       GLN  72  22.069  -9.793   5.306
  645   1HG   GLN  72          2HG       GLN  72  20.018  -8.689   5.989
  646   2HG   GLN  72          1HG       GLN  72  19.235  -9.199   4.494
  647   1HE2  GLN  72          1HE2      GLN  72  18.551  -9.776   7.268
  648   2HE2  GLN  72          2HE2      GLN  72  18.549 -11.501   7.413
  649    H    LYS  73           HN       LYS  73  23.906  -7.292   4.730
  650    HA   LYS  73           HA       LYS  73  25.534  -8.106   2.470
  651   1HB   LYS  73          2HB       LYS  73  26.143  -6.553   4.985
  652   2HB   LYS  73          1HB       LYS  73  27.403  -7.066   3.876
  653   1HG   LYS  73          2HG       LYS  73  26.915  -4.831   3.338
  654   2HG   LYS  73          1HG       LYS  73  26.175  -5.810   2.073
  655   1HD   LYS  73          2HD       LYS  73  24.669  -4.032   2.759
  656   2HD   LYS  73          1HD       LYS  73  24.004  -5.603   3.202
  657   1HE   LYS  73          2HE       LYS  73  23.699  -3.972   4.994
  658   2HE   LYS  73          1HE       LYS  73  24.755  -5.291   5.498
  659   1HZ   LYS  73          1HZ       LYS  73  25.513  -3.029   6.154
  660   2HZ   LYS  73          2HZ       LYS  73  25.754  -2.674   4.514
  661   3HZ   LYS  73          3HZ       LYS  73  26.654  -3.905   5.257
  662    H    LYS  74           HN       LYS  74  26.052 -10.185   2.403
  663    HA   LYS  74           HA       LYS  74  26.944 -11.482   4.890
  664   1HB   LYS  74          2HB       LYS  74  25.568 -12.707   2.493
  665   2HB   LYS  74          1HB       LYS  74  26.246 -13.632   3.823
  666   1HG   LYS  74          2HG       LYS  74  24.689 -12.526   5.365
  667   2HG   LYS  74          1HG       LYS  74  23.989 -11.649   4.005
  668   1HD   LYS  74          2HD       LYS  74  23.293 -13.730   2.981
  669   2HD   LYS  74          1HD       LYS  74  24.080 -14.652   4.262
  670   1HE   LYS  74          2HE       LYS  74  22.565 -13.639   5.904
  671   2HE   LYS  74          1HE       LYS  74  21.766 -12.752   4.609
  672   1HZ   LYS  74          1HZ       LYS  74  21.909 -15.708   4.814
  673   2HZ   LYS  74          2HZ       LYS  74  21.087 -14.824   3.619
  674   3HZ   LYS  74          3HZ       LYS  74  20.562 -14.767   5.233
  Start of MODEL   12
    1    H    HIS  -9           H        HIS  -9  15.743  14.628 -21.815
    2    HA   HIS  -9           HA       HIS  -9  17.174  14.833 -19.929
    3   1HB   HIS  -9          2HB       HIS  -9  15.144  16.329 -20.159
    4   2HB   HIS  -9          1HB       HIS  -9  14.316  15.269 -19.027
    5    HD1  HIS  -9           1HD      HIS  -9  14.433  15.999 -16.667
    6    HD2  HIS  -9           2HD      HIS  -9  17.626  17.452 -18.902
    7    HE1  HIS  -9           1HE      HIS  -9  15.746  17.463 -15.102
    8    HE2  HIS  -9           2HE      HIS  -9  17.536  18.502 -16.538
    9    H    SER  -8           HN       SER  -8  17.724  14.241 -17.764
   10    HA   SER  -8           HA       SER  -8  16.601  11.627 -17.008
   11   1HB   SER  -8          2HB       SER  -8  19.339  12.746 -16.386
   12   2HB   SER  -8          1HB       SER  -8  18.768  11.114 -16.037
   13    HG   SER  -8           HG       SER  -8  19.967  11.092 -17.941
   14    H    SER  -7           HN       SER  -7  16.760  11.077 -14.681
   15    HA   SER  -7           HA       SER  -7  16.257  11.381 -12.510
   16   1HB   SER  -7          2HB       SER  -7  17.742  13.984 -12.952
   17   2HB   SER  -7          1HB       SER  -7  17.278  13.359 -11.369
   18    HG   SER  -7           HG       SER  -7  19.474  12.816 -12.593
   19    H    GLY  -6           HN       GLY  -6  14.494  12.597 -14.715
   20   1HA   GLY  -6          2HA       GLY  -6  12.892  14.436 -13.139
   21   2HA   GLY  -6          1HA       GLY  -6  12.501  13.804 -14.738
   22    H    HIS  -5           HN       HIS  -5  13.444  11.207 -13.113
   23    HA   HIS  -5           HA       HIS  -5  10.779  10.250 -12.634
   24   1HB   HIS  -5          2HB       HIS  -5  12.563   8.796 -13.570
   25   2HB   HIS  -5          1HB       HIS  -5  13.470   8.961 -12.071
   26    HD1  HIS  -5           1HD      HIS  -5  10.389   7.350 -13.514
   27    HD2  HIS  -5           2HD      HIS  -5  12.608   7.317  -9.999
   28    HE1  HIS  -5           1HE      HIS  -5   9.502   5.416 -12.171
   29    HE2  HIS  -5           2HE      HIS  -5  10.964   5.313 -10.124
   30    H    ILE  -4           HN       ILE  -4   9.799  11.059 -10.879
   31    HA   ILE  -4           HA       ILE  -4  11.371  11.532  -8.481
   32    HB   ILE  -4           HB       ILE  -4   9.376  12.621  -7.540
   33   1HG1  ILE  -4          2HG1      ILE  -4   7.697  11.284  -8.895
   34   2HG1  ILE  -4          1HG1      ILE  -4   7.371  13.006  -8.761
   35   1HG2  ILE  -4          1HG2      ILE  -4  11.019  13.945  -8.710
   36   2HG2  ILE  -4          2HG2      ILE  -4   9.404  14.595  -8.994
   37   3HG2  ILE  -4          3HG2      ILE  -4  10.204  13.645 -10.246
   38   1HD1  ILE  -4          1HD1      ILE  -4   8.610  11.638 -11.137
   39   2HD1  ILE  -4          2HD1      ILE  -4   8.229  13.355 -11.007
   40   3HD1  ILE  -4          3HD1      ILE  -4   6.929  12.161 -11.003
   41    H    GLU  -3           HN       GLU  -3  11.552  10.046  -6.999
   42    HA   GLU  -3           HA       GLU  -3   9.661   7.844  -6.895
   43   1HB   GLU  -3          2HB       GLU  -3  12.179   8.369  -5.307
   44   2HB   GLU  -3          1HB       GLU  -3  11.218   6.900  -5.218
   45   1HG   GLU  -3          2HG       GLU  -3  11.682   6.483  -7.602
   46   2HG   GLU  -3          1HG       GLU  -3  12.709   7.918  -7.631
   47    H    GLY  -2           HN       GLY  -2   9.188  10.718  -6.033
   48   1HA   GLY  -2          2HA       GLY  -2   8.479  10.505  -3.244
   49   2HA   GLY  -2          1HA       GLY  -2   8.077  11.827  -4.335
   50    H    ARG  -1           HN       ARG  -1   7.421   8.391  -4.676
   51    HA   ARG  -1           HA       ARG  -1   4.563   8.867  -4.219
   52   1HB   ARG  -1          2HB       ARG  -1   3.908   7.691  -6.129
   53   2HB   ARG  -1          1HB       ARG  -1   5.294   8.594  -6.721
   54   1HG   ARG  -1          2HG       ARG  -1   6.680   6.535  -6.274
   55   2HG   ARG  -1          1HG       ARG  -1   5.166   5.678  -5.989
   56   1HD   ARG  -1          2HD       ARG  -1   6.205   6.887  -8.529
   57   2HD   ARG  -1          1HD       ARG  -1   5.674   5.235  -8.225
   58    HE   ARG  -1           HE       ARG  -1   3.896   7.571  -8.491
   59   1HH1  ARG  -1          1HH1      ARG  -1   4.440   4.099  -8.692
   60   2HH1  ARG  -1          2HH1      ARG  -1   2.889   3.786  -9.416
   61   1HH2  ARG  -1          1HH2      ARG  -1   1.903   7.148  -9.485
   62   2HH2  ARG  -1          2HH2      ARG  -1   1.456   5.509  -9.879
   63    H    HIS   0           HN       HIS   0   3.572   7.186  -3.045
   64    HA   HIS   0           HA       HIS   0   5.424   5.044  -2.268
   65   1HB   HIS   0          2HB       HIS   0   4.165   4.776  -0.161
   66   2HB   HIS   0          1HB       HIS   0   4.879   6.371  -0.311
   67    HD1  HIS   0           1HD      HIS   0   3.337   7.802   1.021
   68    HD2  HIS   0           2HD      HIS   0   1.287   5.265  -1.527
   69    HE1  HIS   0           1HE      HIS   0   0.925   8.473   1.208
   70    HE2  HIS   0           2HE      HIS   0  -0.319   6.800  -0.212
   71    H    MET   1           HN       MET   1   4.964   3.074  -2.946
   72    HA   MET   1           HA       MET   1   2.154   2.458  -3.599
   73   1HB   MET   1          2HB       MET   1   3.616   2.437  -5.581
   74   2HB   MET   1          1HB       MET   1   4.666   1.267  -4.793
   75   1HG   MET   1          2HG       MET   1   2.838  -0.355  -4.753
   76   2HG   MET   1          1HG       MET   1   1.785   0.819  -5.544
   77   1HE   MET   1          1HE       MET   1   5.546  -0.970  -7.532
   78   2HE   MET   1          2HE       MET   1   5.006  -1.409  -5.911
   79   3HE   MET   1          3HE       MET   1   5.598   0.224  -6.233
   80    H    LEU   2           HN       LEU   2   1.284   1.227  -2.066
   81    HA   LEU   2           HA       LEU   2   3.043  -0.715  -0.723
   82   1HB   LEU   2          2HB       LEU   2   1.967   1.299   0.567
   83   2HB   LEU   2          1HB       LEU   2   0.512   0.318   0.493
   84    HG   LEU   2           HG       LEU   2   1.922   0.135   2.624
   85   1HD1  LEU   2          1HD1      LEU   2   1.238  -2.380   1.112
   86   2HD1  LEU   2          2HD1      LEU   2   0.144  -1.439   2.125
   87   3HD1  LEU   2          3HD1      LEU   2   1.520  -2.273   2.849
   88   1HD2  LEU   2          1HD2      LEU   2   3.797  -1.386   2.588
   89   2HD2  LEU   2          2HD2      LEU   2   4.108  -0.041   1.492
   90   3HD2  LEU   2          3HD2      LEU   2   3.625  -1.611   0.850
   91    H    VAL   3           HN       VAL   3   2.512  -2.801  -0.844
   92    HA   VAL   3           HA       VAL   3   0.181  -3.478  -2.418
   93    HB   VAL   3           HB       VAL   3   1.303  -5.728  -2.500
   94   1HG1  VAL   3          1HG1      VAL   3   2.782  -3.347  -3.586
   95   2HG1  VAL   3          2HG1      VAL   3   1.422  -4.175  -4.346
   96   3HG1  VAL   3          3HG1      VAL   3   2.966  -5.004  -4.159
   97   1HG2  VAL   3          1HG2      VAL   3   3.605  -4.206  -1.306
   98   2HG2  VAL   3          2HG2      VAL   3   3.679  -5.841  -1.957
   99   3HG2  VAL   3          3HG2      VAL   3   2.711  -5.506  -0.521
  100    H    LEU   4           HN       LEU   4  -1.542  -4.389  -1.636
  101    HA   LEU   4           HA       LEU   4  -1.461  -5.708   0.997
  102   1HB   LEU   4          2HB       LEU   4  -3.513  -4.065  -0.384
  103   2HB   LEU   4          1HB       LEU   4  -4.096  -5.428   0.543
  104    HG   LEU   4           HG       LEU   4  -2.604  -3.009   1.540
  105   1HD1  LEU   4          1HD1      LEU   4  -5.000  -2.751   1.239
  106   2HD1  LEU   4          2HD1      LEU   4  -4.581  -2.750   2.952
  107   3HD1  LEU   4          3HD1      LEU   4  -5.295  -4.188   2.220
  108   1HD2  LEU   4          1HD2      LEU   4  -1.622  -4.870   2.688
  109   2HD2  LEU   4          2HD2      LEU   4  -3.207  -5.577   2.997
  110   3HD2  LEU   4          3HD2      LEU   4  -2.745  -4.068   3.784
  111    H    SER   5           HN       SER   5  -2.160  -7.813   1.140
  112    HA   SER   5           HA       SER   5  -2.337  -9.198  -1.399
  113   1HB   SER   5          2HB       SER   5  -2.298 -10.303   1.414
  114   2HB   SER   5          1HB       SER   5  -2.102 -11.231  -0.071
  115    HG   SER   5           HG       SER   5  -0.312  -9.547   1.234
  116    H    ARG   6           HN       ARG   6  -4.230  -9.298  -2.352
  117    HA   ARG   6           HA       ARG   6  -6.539 -10.294  -0.888
  118   1HB   ARG   6          2HB       ARG   6  -6.567  -7.727  -0.812
  119   2HB   ARG   6          1HB       ARG   6  -6.778  -7.780  -2.555
  120   1HG   ARG   6          2HG       ARG   6  -8.948  -7.607  -1.929
  121   2HG   ARG   6          1HG       ARG   6  -8.793  -9.363  -1.905
  122   1HD   ARG   6          2HD       ARG   6  -8.421  -7.608   0.519
  123   2HD   ARG   6          1HD       ARG   6  -9.946  -8.376   0.090
  124    HE   ARG   6           HE       ARG   6  -8.456 -10.516   0.192
  125   1HH1  ARG   6          1HH1      ARG   6  -8.333  -7.744   2.319
  126   2HH1  ARG   6          2HH1      ARG   6  -7.770  -8.644   3.693
  127   1HH2  ARG   6          1HH2      ARG   6  -7.768 -11.737   1.994
  128   2HH2  ARG   6          2HH2      ARG   6  -7.473 -10.936   3.511
  129    H    LYS   7           HN       LYS   7  -7.437 -11.829  -2.180
  130    HA   LYS   7           HA       LYS   7  -6.214 -11.987  -4.846
  131   1HB   LYS   7          2HB       LYS   7  -7.186 -14.257  -3.096
  132   2HB   LYS   7          1HB       LYS   7  -6.355 -14.414  -4.640
  133   1HG   LYS   7          2HG       LYS   7  -4.622 -14.758  -3.186
  134   2HG   LYS   7          1HG       LYS   7  -4.493 -13.017  -3.440
  135   1HD   LYS   7          2HD       LYS   7  -6.042 -12.864  -1.353
  136   2HD   LYS   7          1HD       LYS   7  -5.512 -14.515  -1.055
  137   1HE   LYS   7          2HE       LYS   7  -3.159 -13.679  -1.209
  138   2HE   LYS   7          1HE       LYS   7  -3.811 -12.035  -1.243
  139   1HZ   LYS   7          1HZ       LYS   7  -4.771 -12.387   0.934
  140   2HZ   LYS   7          2HZ       LYS   7  -3.128 -12.800   1.010
  141   3HZ   LYS   7          3HZ       LYS   7  -4.305 -14.016   0.935
  142    H    ILE   8           HN       ILE   8  -7.932 -10.657  -5.610
  143    HA   ILE   8           HA       ILE   8 -10.284 -12.199  -6.406
  144    HB   ILE   8           HB       ILE   8 -10.759  -9.374  -5.556
  145   1HG1  ILE   8          2HG1      ILE   8 -10.723 -11.729  -3.652
  146   2HG1  ILE   8          1HG1      ILE   8  -9.690 -10.305  -3.582
  147   1HG2  ILE   8          1HG2      ILE   8 -12.469 -11.855  -5.604
  148   2HG2  ILE   8          2HG2      ILE   8 -12.479 -10.546  -6.786
  149   3HG2  ILE   8          3HG2      ILE   8 -13.018 -10.247  -5.135
  150   1HD1  ILE   8          1HD1      ILE   8 -11.435 -10.170  -1.927
  151   2HD1  ILE   8          2HD1      ILE   8 -12.671 -10.365  -3.171
  152   3HD1  ILE   8          3HD1      ILE   8 -11.660  -8.919  -3.149
  153    H    ASN   9           HN       ASN   9  -8.403  -9.282  -6.607
  154    HA   ASN   9           HA       ASN   9  -8.039  -7.698  -8.116
  155   1HB   ASN   9          2HB       ASN   9  -7.343  -8.395 -10.090
  156   2HB   ASN   9          1HB       ASN   9  -7.764 -10.010  -9.555
  157   1HD2  ASN   9          1HD2      ASN   9  -9.576 -11.013 -10.432
  158   2HD2  ASN   9          2HD2      ASN   9 -10.394 -10.405 -11.833
  159    H    GLU  10           HN       GLU  10  -9.081  -5.987  -8.326
  160    HA   GLU  10           HA       GLU  10 -11.595  -5.554  -9.515
  161   1HB   GLU  10          2HB       GLU  10 -12.752  -4.969  -7.275
  162   2HB   GLU  10          1HB       GLU  10 -12.643  -6.673  -7.702
  163   1HG   GLU  10          2HG       GLU  10 -10.795  -6.999  -6.230
  164   2HG   GLU  10          1HG       GLU  10 -10.668  -5.272  -5.902
  165    H    ALA  11           HN       ALA  11 -11.948  -3.610  -7.002
  166    HA   ALA  11           HA       ALA  11  -9.544  -1.986  -7.245
  167   1HB   ALA  11          1HB       ALA  11 -10.787   0.073  -7.738
  168   2HB   ALA  11          2HB       ALA  11 -12.276  -0.861  -7.897
  169   3HB   ALA  11          3HB       ALA  11 -10.955  -1.105  -9.040
  170    H    ILE  12           HN       ILE  12  -9.214  -0.630  -5.472
  171    HA   ILE  12           HA       ILE  12 -11.015  -1.177  -3.209
  172    HB   ILE  12           HB       ILE  12  -8.099  -0.373  -3.198
  173   1HG1  ILE  12          2HG1      ILE  12  -8.476  -2.715  -3.803
  174   2HG1  ILE  12          1HG1      ILE  12  -7.742  -2.590  -2.207
  175   1HG2  ILE  12          1HG2      ILE  12  -8.196  -0.626  -0.772
  176   2HG2  ILE  12          2HG2      ILE  12  -9.928  -0.936  -0.866
  177   3HG2  ILE  12          3HG2      ILE  12  -9.290   0.642  -1.324
  178   1HD1  ILE  12          1HD1      ILE  12 -10.658  -3.085  -2.768
  179   2HD1  ILE  12          2HD1      ILE  12  -9.916  -2.973  -1.170
  180   3HD1  ILE  12          3HD1      ILE  12  -9.474  -4.290  -2.259
  181    H    GLN  13           HN       GLN  13 -12.295   0.425  -2.647
  182    HA   GLN  13           HA       GLN  13 -11.337   3.193  -2.980
  183   1HB   GLN  13          2HB       GLN  13 -13.036   2.983  -4.593
  184   2HB   GLN  13          1HB       GLN  13 -14.034   1.991  -3.545
  185   1HG   GLN  13          2HG       GLN  13 -15.107   4.078  -3.694
  186   2HG   GLN  13          1HG       GLN  13 -14.361   4.027  -2.103
  187   1HE2  GLN  13          1HE2      GLN  13 -11.676   4.621  -3.148
  188   2HE2  GLN  13          2HE2      GLN  13 -11.705   6.291  -3.576
  189    H    ILE  14           HN       ILE  14 -10.695   3.635  -0.954
  190    HA   ILE  14           HA       ILE  14 -12.687   3.255   1.171
  191    HB   ILE  14           HB       ILE  14 -10.868   3.212   2.824
  192   1HG1  ILE  14          2HG1      ILE  14  -9.192   4.369   1.244
  193   2HG1  ILE  14          1HG1      ILE  14  -8.589   3.111   2.312
  194   1HG2  ILE  14          1HG2      ILE  14 -10.103   0.923   2.351
  195   2HG2  ILE  14          2HG2      ILE  14 -10.730   1.077   0.710
  196   3HG2  ILE  14          3HG2      ILE  14 -11.833   1.143   2.084
  197   1HD1  ILE  14          1HD1      ILE  14  -8.636   1.525   0.446
  198   2HD1  ILE  14          2HD1      ILE  14  -7.609   2.920   0.114
  199   3HD1  ILE  14          3HD1      ILE  14  -9.207   2.808  -0.618
  200    H    GLY  15           HN       GLY  15 -13.480   5.007   2.036
  201   1HA   GLY  15          2HA       GLY  15 -13.721   7.157   2.775
  202   2HA   GLY  15          1HA       GLY  15 -11.971   7.219   2.862
  203    H    ALA  16           HN       ALA  16 -12.851   6.489  -0.254
  204    HA   ALA  16           HA       ALA  16 -12.922   7.591  -2.223
  205   1HB   ALA  16          1HB       ALA  16 -13.964   9.766  -2.372
  206   2HB   ALA  16          2HB       ALA  16 -13.801   9.991  -0.630
  207   3HB   ALA  16          3HB       ALA  16 -14.870   8.737  -1.257
  208    H    ASP  17           HN       ASP  17 -10.643   8.075   0.013
  209    HA   ASP  17           HA       ASP  17  -9.256  10.244  -1.355
  210   1HB   ASP  17          2HB       ASP  17  -9.057  10.220   1.073
  211   2HB   ASP  17          1HB       ASP  17  -8.401   8.585   1.040
  212    H    ILE  18           HN       ILE  18  -9.029   6.780  -0.823
  213    HA   ILE  18           HA       ILE  18  -7.061   6.670  -3.009
  214    HB   ILE  18           HB       ILE  18  -7.288   4.873  -0.589
  215   1HG1  ILE  18          2HG1      ILE  18  -6.101   6.963  -0.198
  216   2HG1  ILE  18          1HG1      ILE  18  -4.972   5.613  -0.185
  217   1HG2  ILE  18          1HG2      ILE  18  -5.538   4.555  -3.026
  218   2HG2  ILE  18          2HG2      ILE  18  -6.848   3.486  -2.526
  219   3HG2  ILE  18          3HG2      ILE  18  -5.393   3.618  -1.539
  220   1HD1  ILE  18          1HD1      ILE  18  -4.034   7.513  -1.348
  221   2HD1  ILE  18          2HD1      ILE  18  -5.411   7.544  -2.450
  222   3HD1  ILE  18          3HD1      ILE  18  -4.297   6.177  -2.471
  223    H    GLU  19           HN       GLU  19  -7.742   5.718  -4.773
  224    HA   GLU  19           HA       GLU  19  -9.621   3.476  -4.608
  225   1HB   GLU  19          2HB       GLU  19 -10.823   4.412  -6.613
  226   2HB   GLU  19          1HB       GLU  19 -11.056   5.321  -5.125
  227   1HG   GLU  19          2HG       GLU  19  -9.324   6.915  -5.873
  228   2HG   GLU  19          1HG       GLU  19  -9.212   6.032  -7.394
  229    H    VAL  20           HN       VAL  20  -8.532   1.808  -5.462
  230    HA   VAL  20           HA       VAL  20  -7.913   1.490  -8.107
  231    HB   VAL  20           HB       VAL  20  -6.233   3.331  -7.713
  232   1HG1  VAL  20          1HG1      VAL  20  -4.795   1.223  -6.111
  233   2HG1  VAL  20          2HG1      VAL  20  -5.496   2.715  -5.483
  234   3HG1  VAL  20          3HG1      VAL  20  -4.131   2.782  -6.599
  235   1HG2  VAL  20          1HG2      VAL  20  -6.034   1.814  -9.609
  236   2HG2  VAL  20          2HG2      VAL  20  -5.107   0.683  -8.619
  237   3HG2  VAL  20          3HG2      VAL  20  -4.445   2.276  -8.996
  238    H    LYS  21           HN       LYS  21  -7.130  -0.587  -8.560
  239    HA   LYS  21           HA       LYS  21  -5.655  -1.953  -6.412
  240   1HB   LYS  21          2HB       LYS  21  -7.926  -3.007  -8.012
  241   2HB   LYS  21          1HB       LYS  21  -6.561  -4.090  -7.780
  242   1HG   LYS  21          2HG       LYS  21  -6.803  -3.509  -5.291
  243   2HG   LYS  21          1HG       LYS  21  -8.400  -2.918  -5.741
  244   1HD   LYS  21          2HD       LYS  21  -8.949  -5.126  -6.659
  245   2HD   LYS  21          1HD       LYS  21  -7.349  -5.713  -6.192
  246   1HE   LYS  21          2HE       LYS  21  -7.903  -5.113  -3.832
  247   2HE   LYS  21          1HE       LYS  21  -9.535  -4.730  -4.361
  248   1HZ   LYS  21          1HZ       LYS  21  -9.791  -7.034  -5.076
  249   2HZ   LYS  21          2HZ       LYS  21  -9.439  -6.933  -3.427
  250   3HZ   LYS  21          3HZ       LYS  21  -8.232  -7.394  -4.521
  251    H    VAL  22           HN       VAL  22  -3.655  -1.458  -7.225
  252    HA   VAL  22           HA       VAL  22  -3.038  -2.208  -9.959
  253    HB   VAL  22           HB       VAL  22  -1.166  -1.439  -7.702
  254   1HG1  VAL  22          1HG1      VAL  22   0.488  -1.077  -9.484
  255   2HG1  VAL  22          2HG1      VAL  22  -0.665  -1.705 -10.664
  256   3HG1  VAL  22          3HG1      VAL  22  -0.039  -2.758  -9.396
  257   1HG2  VAL  22          1HG2      VAL  22  -2.646   0.400  -8.264
  258   2HG2  VAL  22          2HG2      VAL  22  -2.267   0.214  -9.976
  259   3HG2  VAL  22          3HG2      VAL  22  -1.018   0.740  -8.847
  260    H    ILE  23           HN       ILE  23  -3.088  -4.306 -10.359
  261    HA   ILE  23           HA       ILE  23  -2.614  -6.182  -8.211
  262    HB   ILE  23           HB       ILE  23  -3.416  -6.667 -11.083
  263   1HG1  ILE  23          2HG1      ILE  23  -5.225  -7.008  -8.731
  264   2HG1  ILE  23          1HG1      ILE  23  -4.938  -5.374  -9.336
  265   1HG2  ILE  23          1HG2      ILE  23  -2.323  -8.604 -10.091
  266   2HG2  ILE  23          2HG2      ILE  23  -4.046  -8.896 -10.323
  267   3HG2  ILE  23          3HG2      ILE  23  -3.421  -8.526  -8.715
  268   1HD1  ILE  23          1HD1      ILE  23  -6.939  -6.279 -10.319
  269   2HD1  ILE  23          2HD1      ILE  23  -6.065  -7.705 -10.876
  270   3HD1  ILE  23          3HD1      ILE  23  -5.699  -6.123 -11.563
  271    H    ALA  24           HN       ALA  24  -0.859  -7.251  -7.872
  272    HA   ALA  24           HA       ALA  24   1.203  -7.368  -9.968
  273   1HB   ALA  24          1HB       ALA  24   2.906  -7.115  -8.233
  274   2HB   ALA  24          2HB       ALA  24   1.649  -6.957  -7.008
  275   3HB   ALA  24          3HB       ALA  24   1.825  -5.721  -8.253
  276    H    VAL  25           HN       VAL  25   2.463  -9.267  -9.968
  277    HA   VAL  25           HA       VAL  25   0.994 -11.534  -8.874
  278    HB   VAL  25           HB       VAL  25   3.361 -11.569 -10.753
  279   1HG1  VAL  25          1HG1      VAL  25   3.001 -13.659  -9.543
  280   2HG1  VAL  25          2HG1      VAL  25   2.619 -13.841 -11.257
  281   3HG1  VAL  25          3HG1      VAL  25   1.319 -13.683 -10.075
  282   1HG2  VAL  25          1HG2      VAL  25   1.727 -11.927 -12.542
  283   2HG2  VAL  25          2HG2      VAL  25   1.501 -10.360 -11.762
  284   3HG2  VAL  25          3HG2      VAL  25   0.415 -11.699 -11.386
  285    H    GLU  26           HN       GLU  26   1.515 -12.133  -6.920
  286    HA   GLU  26           HA       GLU  26   4.117 -11.591  -5.775
  287   1HB   GLU  26          2HB       GLU  26   1.702 -11.596  -4.675
  288   2HB   GLU  26          1HB       GLU  26   2.049 -13.308  -4.458
  289   1HG   GLU  26          2HG       GLU  26   4.253 -12.466  -3.383
  290   2HG   GLU  26          1HG       GLU  26   3.385 -10.933  -3.241
  291    H    GLY  27           HN       GLY  27   4.251 -13.303  -7.995
  292   1HA   GLY  27          2HA       GLY  27   5.280 -15.276  -8.602
  293   2HA   GLY  27          1HA       GLY  27   5.416 -15.688  -6.896
  294    H    ASP  28           HN       ASP  28   3.274 -16.219  -5.830
  295    HA   ASP  28           HA       ASP  28   1.559 -17.725  -7.686
  296   1HB   ASP  28          2HB       ASP  28   1.335 -19.475  -5.964
  297   2HB   ASP  28          1HB       ASP  28   3.009 -19.275  -6.465
  298    H    GLN  29           HN       GLN  29   1.583 -15.133  -5.818
  299    HA   GLN  29           HA       GLN  29  -1.150 -15.562  -4.803
  300   1HB   GLN  29          2HB       GLN  29   0.388 -15.353  -2.945
  301   2HB   GLN  29          1HB       GLN  29   1.089 -13.906  -3.652
  302   1HG   GLN  29          2HG       GLN  29  -0.470 -12.574  -2.817
  303   2HG   GLN  29          1HG       GLN  29  -1.785 -13.702  -3.180
  304   1HE2  GLN  29          1HE2      GLN  29   0.464 -12.582  -0.829
  305   2HE2  GLN  29          2HE2      GLN  29  -0.132 -13.518   0.500
  306    H    VAL  30           HN       VAL  30  -2.631 -13.845  -5.021
  307    HA   VAL  30           HA       VAL  30  -1.769 -11.749  -6.892
  308    HB   VAL  30           HB       VAL  30  -4.620 -12.494  -6.198
  309   1HG1  VAL  30          1HG1      VAL  30  -3.547 -10.900  -8.517
  310   2HG1  VAL  30          2HG1      VAL  30  -4.300 -10.229  -7.072
  311   3HG1  VAL  30          3HG1      VAL  30  -5.243 -11.243  -8.163
  312   1HG2  VAL  30          1HG2      VAL  30  -3.030 -13.381  -8.604
  313   2HG2  VAL  30          2HG2      VAL  30  -4.738 -13.708  -8.305
  314   3HG2  VAL  30          3HG2      VAL  30  -3.507 -14.404  -7.251
  315    H    LYS  31           HN       LYS  31  -1.409  -9.823  -6.041
  316    HA   LYS  31           HA       LYS  31  -3.049  -8.996  -3.776
  317   1HB   LYS  31          2HB       LYS  31  -1.173  -8.284  -2.484
  318   2HB   LYS  31          1HB       LYS  31  -0.886  -9.946  -2.973
  319   1HG   LYS  31          2HG       LYS  31   0.536  -8.999  -4.839
  320   2HG   LYS  31          1HG       LYS  31   0.390  -7.438  -4.031
  321   1HD   LYS  31          2HD       LYS  31   1.622  -9.967  -2.954
  322   2HD   LYS  31          1HD       LYS  31   2.424  -8.431  -3.285
  323   1HE   LYS  31          2HE       LYS  31   1.449  -7.384  -1.443
  324   2HE   LYS  31          1HE       LYS  31   0.173  -8.595  -1.320
  325   1HZ   LYS  31          1HZ       LYS  31   1.870 -10.222  -0.657
  326   2HZ   LYS  31          2HZ       LYS  31   1.749  -8.926   0.436
  327   3HZ   LYS  31          3HZ       LYS  31   3.039  -8.996  -0.661
  328    H    LEU  32           HN       LEU  32  -3.269  -6.750  -3.516
  329    HA   LEU  32           HA       LEU  32  -2.962  -5.297  -6.041
  330   1HB   LEU  32          2HB       LEU  32  -4.589  -3.745  -5.159
  331   2HB   LEU  32          1HB       LEU  32  -5.210  -5.375  -5.024
  332    HG   LEU  32           HG       LEU  32  -3.962  -4.923  -2.569
  333   1HD1  LEU  32          1HD1      LEU  32  -5.511  -2.472  -3.411
  334   2HD1  LEU  32          2HD1      LEU  32  -3.781  -2.545  -3.077
  335   3HD1  LEU  32          3HD1      LEU  32  -4.942  -2.821  -1.779
  336   1HD2  LEU  32          1HD2      LEU  32  -6.278  -4.857  -1.713
  337   2HD2  LEU  32          2HD2      LEU  32  -6.008  -6.159  -2.869
  338   3HD2  LEU  32          3HD2      LEU  32  -6.865  -4.700  -3.372
  339    H    GLY  33           HN       GLY  33  -2.323  -3.007  -5.899
  340   1HA   GLY  33          2HA       GLY  33  -0.848  -2.318  -3.449
  341   2HA   GLY  33          1HA       GLY  33  -0.080  -2.140  -5.021
  342    H    ILE  34           HN       ILE  34  -1.224  -0.286  -2.755
  343    HA   ILE  34           HA       ILE  34  -2.742   1.439  -4.564
  344    HB   ILE  34           HB       ILE  34  -3.467   2.741  -2.694
  345   1HG1  ILE  34          2HG1      ILE  34  -2.108   0.985  -0.690
  346   2HG1  ILE  34          1HG1      ILE  34  -1.186   2.296  -1.438
  347   1HG2  ILE  34          1HG2      ILE  34  -4.742   1.092  -1.442
  348   2HG2  ILE  34          2HG2      ILE  34  -3.677  -0.184  -2.028
  349   3HG2  ILE  34          3HG2      ILE  34  -4.701   0.695  -3.161
  350   1HD1  ILE  34          1HD1      ILE  34  -2.167   2.973   0.679
  351   2HD1  ILE  34          2HD1      ILE  34  -3.776   2.582   0.073
  352   3HD1  ILE  34          3HD1      ILE  34  -2.853   3.896  -0.656
  353    H    ASP  35           HN       ASP  35  -1.710   2.997  -5.597
  354    HA   ASP  35           HA       ASP  35   0.670   4.111  -4.291
  355   1HB   ASP  35          2HB       ASP  35   1.557   4.716  -6.445
  356   2HB   ASP  35          1HB       ASP  35   1.126   3.013  -6.484
  357    H    ALA  36           HN       ALA  36   0.846   6.231  -4.030
  358    HA   ALA  36           HA       ALA  36  -1.315   7.969  -4.962
  359   1HB   ALA  36          1HB       ALA  36  -1.948   7.261  -2.708
  360   2HB   ALA  36          2HB       ALA  36  -1.534   8.975  -2.739
  361   3HB   ALA  36          3HB       ALA  36  -0.387   7.801  -2.091
  362    HA   PRO  37           HA       PRO  37   1.992  10.800  -5.774
  363   1HB   PRO  37          2HB       PRO  37   0.281  13.036  -4.957
  364   2HB   PRO  37          1HB       PRO  37   0.912  12.638  -6.556
  365   1HG   PRO  37          2HG       PRO  37  -1.700  12.373  -5.926
  366   2HG   PRO  37          1HG       PRO  37  -0.887  11.295  -7.075
  367   1HD   PRO  37          2HD       PRO  37  -1.605  10.834  -4.209
  368   2HD   PRO  37          1HD       PRO  37  -1.705   9.721  -5.590
  369    H    LYS  38           HN       LYS  38   1.392   9.853  -2.914
  370    HA   LYS  38           HA       LYS  38   2.373  10.013  -0.907
  371   1HB   LYS  38          2HB       LYS  38   4.218  11.338  -2.727
  372   2HB   LYS  38          1HB       LYS  38   4.417  11.813  -1.044
  373   1HG   LYS  38          2HG       LYS  38   4.383   8.981  -2.055
  374   2HG   LYS  38          1HG       LYS  38   5.838   9.913  -1.687
  375   1HD   LYS  38          2HD       LYS  38   3.684   9.613   0.365
  376   2HD   LYS  38          1HD       LYS  38   4.843   8.305   0.097
  377   1HE   LYS  38          2HE       LYS  38   5.795  11.109   0.515
  378   2HE   LYS  38          1HE       LYS  38   5.358  10.099   1.895
  379   1HZ   LYS  38          1HZ       LYS  38   7.380   9.384  -0.169
  380   2HZ   LYS  38          2HZ       LYS  38   6.998   8.493   1.221
  381   3HZ   LYS  38          3HZ       LYS  38   7.736  10.014   1.369
  382    H    HIS  39           HN       HIS  39   0.236  11.944  -1.689
  383    HA   HIS  39           HA       HIS  39   0.498  14.161   0.065
  384   1HB   HIS  39          2HB       HIS  39  -1.903  14.363  -0.083
  385   2HB   HIS  39          1HB       HIS  39  -1.334  13.852  -1.671
  386    HD1  HIS  39           1HD      HIS  39  -1.000  10.817  -0.562
  387    HD2  HIS  39           2HD      HIS  39  -4.440  13.134  -0.526
  388    HE1  HIS  39           1HE      HIS  39  -2.873   9.203  -0.376
  389    HE2  HIS  39           2HE      HIS  39  -4.952  10.619  -0.157
  390    H    ILE  40           HN       ILE  40  -1.376  14.104   1.930
  391    HA   ILE  40           HA       ILE  40  -0.558  12.096   3.840
  392    HB   ILE  40           HB       ILE  40  -1.897  13.280   5.459
  393   1HG1  ILE  40          2HG1      ILE  40  -3.703  13.790   3.668
  394   2HG1  ILE  40          1HG1      ILE  40  -3.477  14.940   4.987
  395   1HG2  ILE  40          1HG2      ILE  40   0.305  14.191   5.008
  396   2HG2  ILE  40          2HG2      ILE  40  -0.822  15.484   5.412
  397   3HG2  ILE  40          3HG2      ILE  40  -0.357  15.212   3.732
  398   1HD1  ILE  40          1HD1      ILE  40  -2.596  15.192   2.123
  399   2HD1  ILE  40          2HD1      ILE  40  -2.022  16.265   3.397
  400   3HD1  ILE  40          3HD1      ILE  40  -3.742  16.199   3.005
  401    H    ASP  41           HN       ASP  41  -2.066  10.719   4.900
  402    HA   ASP  41           HA       ASP  41  -4.215   9.932   3.084
  403   1HB   ASP  41          2HB       ASP  41  -4.077   7.737   4.300
  404   2HB   ASP  41          1HB       ASP  41  -2.612   8.218   3.437
  405    H    ILE  42           HN       ILE  42  -6.211  10.342   3.574
  406    HA   ILE  42           HA       ILE  42  -6.882  11.487   6.142
  407    HB   ILE  42           HB       ILE  42  -8.847  10.894   3.945
  408   1HG1  ILE  42          2HG1      ILE  42  -6.901  13.207   4.092
  409   2HG1  ILE  42          1HG1      ILE  42  -6.963  11.966   2.846
  410   1HG2  ILE  42          1HG2      ILE  42  -9.739  11.696   6.064
  411   2HG2  ILE  42          2HG2      ILE  42  -9.951  12.906   4.799
  412   3HG2  ILE  42          3HG2      ILE  42  -8.672  13.099   5.997
  413   1HD1  ILE  42          1HD1      ILE  42  -9.158  12.790   2.150
  414   2HD1  ILE  42          2HD1      ILE  42  -7.912  14.036   2.046
  415   3HD1  ILE  42          3HD1      ILE  42  -9.066  14.053   3.381
  416    H    HIS  43           HN       HIS  43  -8.438  10.640   7.604
  417    HA   HIS  43           HA       HIS  43  -9.539   7.991   7.034
  418   1HB   HIS  43          2HB       HIS  43  -8.293   8.446   9.735
  419   2HB   HIS  43          1HB       HIS  43  -8.787   6.929   8.975
  420    HD1  HIS  43           1HD      HIS  43  -5.855   8.739   9.822
  421    HD2  HIS  43           2HD      HIS  43  -7.002   6.479   6.529
  422    HE1  HIS  43           1HE      HIS  43  -3.728   8.073   8.681
  423    HE2  HIS  43           2HE      HIS  43  -4.441   6.892   6.609
  424    H    ARG  44           HN       ARG  44 -11.149   7.383   8.833
  425    HA   ARG  44           HA       ARG  44 -12.646   9.822   9.496
  426   1HB   ARG  44          2HB       ARG  44 -13.580   6.949   9.352
  427   2HB   ARG  44          1HB       ARG  44 -14.597   8.317   9.787
  428   1HG   ARG  44          2HG       ARG  44 -14.119   9.309   7.562
  429   2HG   ARG  44          1HG       ARG  44 -13.245   7.836   7.143
  430   1HD   ARG  44          2HD       ARG  44 -16.156   7.996   7.915
  431   2HD   ARG  44          1HD       ARG  44 -15.539   7.830   6.272
  432    HE   ARG  44           HE       ARG  44 -14.776   5.772   8.196
  433   1HH1  ARG  44          1HH1      ARG  44 -16.774   6.746   5.491
  434   2HH1  ARG  44          2HH1      ARG  44 -17.296   5.126   5.122
  435   1HH2  ARG  44          1HH2      ARG  44 -15.406   3.649   7.702
  436   2HH2  ARG  44          2HH2      ARG  44 -16.489   3.349   6.369
  437    H    LYS  45           HN       LYS  45 -13.813   7.266  11.343
  438    HA   LYS  45           HA       LYS  45 -12.797   8.272  13.791
  439   1HB   LYS  45          2HB       LYS  45 -14.894   6.964  13.685
  440   2HB   LYS  45          1HB       LYS  45 -13.979   5.540  13.207
  441   1HG   LYS  45          2HG       LYS  45 -12.679   6.006  15.431
  442   2HG   LYS  45          1HG       LYS  45 -14.142   6.890  15.854
  443   1HD   LYS  45          2HD       LYS  45 -14.049   4.006  14.973
  444   2HD   LYS  45          1HD       LYS  45 -14.172   4.553  16.646
  445   1HE   LYS  45          2HE       LYS  45 -16.291   5.696  16.074
  446   2HE   LYS  45          1HE       LYS  45 -16.173   5.041  14.442
  447   1HZ   LYS  45          1HZ       LYS  45 -16.429   3.482  16.953
  448   2HZ   LYS  45          2HZ       LYS  45 -16.197   2.804  15.419
  449   3HZ   LYS  45          3HZ       LYS  45 -17.615   3.671  15.755
  450    H    GLU  46           HN       GLU  46 -12.272   5.089  12.336
  451    HA   GLU  46           HA       GLU  46  -9.570   5.007  13.459
  452   1HB   GLU  46          2HB       GLU  46 -11.156   2.856  12.036
  453   2HB   GLU  46          1HB       GLU  46  -9.613   2.637  12.852
  454   1HG   GLU  46          2HG       GLU  46 -10.634   3.115  14.984
  455   2HG   GLU  46          1HG       GLU  46 -12.174   3.461  14.200
  456    H    ILE  47           HN       ILE  47  -8.065   3.691  11.777
  457    HA   ILE  47           HA       ILE  47  -8.001   5.363   9.426
  458    HB   ILE  47           HB       ILE  47  -5.945   4.203   8.819
  459   1HG1  ILE  47          2HG1      ILE  47  -6.365   2.602  11.361
  460   2HG1  ILE  47          1HG1      ILE  47  -6.558   1.978   9.724
  461   1HG2  ILE  47          1HG2      ILE  47  -6.054   5.093  11.703
  462   2HG2  ILE  47          2HG2      ILE  47  -5.803   6.122  10.292
  463   3HG2  ILE  47          3HG2      ILE  47  -4.582   4.935  10.747
  464   1HD1  ILE  47          1HD1      ILE  47  -4.224   2.231   9.285
  465   2HD1  ILE  47          2HD1      ILE  47  -4.413   1.369  10.814
  466   3HD1  ILE  47          3HD1      ILE  47  -3.977   3.077  10.815
  467    H    TYR  48           HN       TYR  48  -8.994   4.906   7.638
  468    HA   TYR  48           HA       TYR  48 -10.214   2.315   7.320
  469   1HB   TYR  48          2HB       TYR  48 -11.566   3.366   5.590
  470   2HB   TYR  48          1HB       TYR  48 -11.545   4.336   7.057
  471    HD1  TYR  48           1HD      TYR  48  -9.060   4.235   4.278
  472    HD2  TYR  48           2HD      TYR  48 -11.998   6.464   6.376
  473    HE1  TYR  48           1HE      TYR  48  -8.543   6.198   2.894
  474    HE2  TYR  48           2HE      TYR  48 -11.481   8.444   5.018
  475    HH   TYR  48           HH       TYR  48  -9.543   9.301   3.667
  476    H    LEU  49           HN       LEU  49  -7.312   3.485   6.585
  477    HA   LEU  49           HA       LEU  49  -7.144   2.367   3.881
  478   1HB   LEU  49          2HB       LEU  49  -5.930   4.675   5.225
  479   2HB   LEU  49          1HB       LEU  49  -4.774   3.687   4.354
  480    HG   LEU  49           HG       LEU  49  -7.280   4.727   3.050
  481   1HD1  LEU  49          1HD1      LEU  49  -5.933   6.548   2.158
  482   2HD1  LEU  49          2HD1      LEU  49  -4.552   6.012   3.112
  483   3HD1  LEU  49          3HD1      LEU  49  -5.993   6.626   3.918
  484   1HD2  LEU  49          1HD2      LEU  49  -4.636   3.725   1.996
  485   2HD2  LEU  49          2HD2      LEU  49  -5.952   4.365   1.011
  486   3HD2  LEU  49          3HD2      LEU  49  -6.183   2.876   1.931
  487    H    THR  50           HN       THR  50  -4.716   2.930   6.391
  488    HA   THR  50           HA       THR  50  -3.290   1.548   7.490
  489    HB   THR  50           HB       THR  50  -5.118  -0.716   6.720
  490    HG1  THR  50           1HG      THR  50  -6.625   0.290   7.762
  491   1HG2  THR  50          1HG2      THR  50  -4.464  -1.635   8.909
  492   2HG2  THR  50          2HG2      THR  50  -3.425  -0.234   9.178
  493   3HG2  THR  50          3HG2      THR  50  -3.056  -1.370   7.878
  494    H    ILE  51           HN       ILE  51  -3.431   1.839   4.380
  495    HA   ILE  51           HA       ILE  51  -1.527  -0.332   3.781
  496    HB   ILE  51           HB       ILE  51  -2.563   1.389   1.555
  497   1HG1  ILE  51          2HG1      ILE  51  -4.178  -0.868   2.771
  498   2HG1  ILE  51          1HG1      ILE  51  -4.549   0.838   2.976
  499   1HG2  ILE  51          1HG2      ILE  51  -2.407  -0.691   0.326
  500   2HG2  ILE  51          2HG2      ILE  51  -2.046  -1.568   1.815
  501   3HG2  ILE  51          3HG2      ILE  51  -0.902  -0.379   1.195
  502   1HD1  ILE  51          1HD1      ILE  51  -5.955  -0.143   1.278
  503   2HD1  ILE  51          2HD1      ILE  51  -4.533  -0.679   0.380
  504   3HD1  ILE  51          3HD1      ILE  51  -4.867   1.044   0.558
  505    H    GLN  52           HN       GLN  52  -2.088   3.036   2.749
  506    HA   GLN  52           HA       GLN  52   0.758   3.458   2.513
  507   1HB   GLN  52          2HB       GLN  52   0.160   5.723   1.773
  508   2HB   GLN  52          1HB       GLN  52  -0.665   4.472   0.846
  509   1HG   GLN  52          2HG       GLN  52  -2.681   4.833   2.219
  510   2HG   GLN  52          1HG       GLN  52  -1.849   6.146   3.054
  511   1HE2  GLN  52          1HE2      GLN  52  -3.362   7.659   2.340
  512   2HE2  GLN  52          2HE2      GLN  52  -3.450   8.179   0.695
  513    H    GLU  53           HN       GLU  53  -1.264   3.465   5.060
  514    HA   GLU  53           HA       GLU  53   0.019   5.701   6.391
  515   1HB   GLU  53          2HB       GLU  53  -1.837   5.809   7.598
  516   2HB   GLU  53          1HB       GLU  53  -2.506   4.622   6.517
  517   1HG   GLU  53          2HG       GLU  53  -2.968   3.536   8.407
  518   2HG   GLU  53          1HG       GLU  53  -1.296   3.012   8.270
  519    H    GLU  54           HN       GLU  54  -0.213   2.201   6.468
  520    HA   GLU  54           HA       GLU  54   1.810   1.671   8.350
  521   1HB   GLU  54          2HB       GLU  54   0.786   0.207   5.912
  522   2HB   GLU  54          1HB       GLU  54   2.110  -0.436   6.884
  523   1HG   GLU  54          2HG       GLU  54  -0.709   0.136   7.796
  524   2HG   GLU  54          1HG       GLU  54   0.008  -1.451   7.518
  525    H    ASN  55           HN       ASN  55   1.800   2.094   4.866
  526    HA   ASN  55           HA       ASN  55   4.673   2.048   4.654
  527   1HB   ASN  55          2HB       ASN  55   3.421   1.077   2.859
  528   2HB   ASN  55          1HB       ASN  55   2.437   2.520   2.682
  529   1HD2  ASN  55          1HD2      ASN  55   5.875   2.625   3.138
  530   2HD2  ASN  55          2HD2      ASN  55   6.263   3.186   1.544
  531    H    ASN  56           HN       ASN  56   3.041   4.375   2.721
  532    HA   ASN  56           HA       ASN  56   3.412   6.579   2.348
  533   1HB   ASN  56          2HB       ASN  56   2.619   6.613   4.802
  534   2HB   ASN  56          1HB       ASN  56   4.326   6.862   5.183
  535   1HD2  ASN  56          1HD2      ASN  56   2.075   8.645   5.624
  536   2HD2  ASN  56          2HD2      ASN  56   2.439  10.103   4.773
  537    H    ARG  57           HN       ARG  57   5.847   5.168   4.458
  538    HA   ARG  57           HA       ARG  57   7.991   6.520   2.959
  539   1HB   ARG  57          2HB       ARG  57   9.251   6.097   5.188
  540   2HB   ARG  57          1HB       ARG  57   8.064   7.397   5.123
  541   1HG   ARG  57          2HG       ARG  57   6.394   5.928   6.133
  542   2HG   ARG  57          1HG       ARG  57   7.583   4.627   6.208
  543   1HD   ARG  57          2HD       ARG  57   7.770   7.287   7.616
  544   2HD   ARG  57          1HD       ARG  57   7.324   5.751   8.357
  545    HE   ARG  57           HE       ARG  57   9.881   5.651   7.050
  546   1HH1  ARG  57          1HH1      ARG  57   8.231   6.583  10.006
  547   2HH1  ARG  57          2HH1      ARG  57   9.655   6.422  10.996
  548   1HH2  ARG  57          1HH2      ARG  57  11.741   5.450   8.358
  549   2HH2  ARG  57          2HH2      ARG  57  11.649   5.808  10.054
  550    H    ALA  58           HN       ALA  58   7.759   3.698   5.174
  551    HA   ALA  58           HA       ALA  58   9.812   2.394   3.545
  552   1HB   ALA  58          1HB       ALA  58   8.853   1.699   6.315
  553   2HB   ALA  58          2HB       ALA  58  10.265   2.689   5.937
  554   3HB   ALA  58          3HB       ALA  58  10.229   0.986   5.473
  555    H    ALA  59           HN       ALA  59   8.012   2.017   1.984
  556    HA   ALA  59           HA       ALA  59   6.063   0.057   2.313
  557   1HB   ALA  59          1HB       ALA  59   6.243   1.504   0.339
  558   2HB   ALA  59          2HB       ALA  59   6.116  -0.201  -0.100
  559   3HB   ALA  59          3HB       ALA  59   7.679   0.617  -0.173
  560    H    ALA  60           HN       ALA  60   5.966  -2.124   1.786
  561    HA   ALA  60           HA       ALA  60   8.506  -3.574   1.452
  562   1HB   ALA  60          1HB       ALA  60   7.620  -5.388   2.837
  563   2HB   ALA  60          2HB       ALA  60   6.157  -4.451   3.143
  564   3HB   ALA  60          3HB       ALA  60   7.714  -3.884   3.751
  565    H    LEU  61           HN       LEU  61   8.310  -5.525   0.162
  566    HA   LEU  61           HA       LEU  61   5.884  -5.502  -1.514
  567   1HB   LEU  61          2HB       LEU  61   8.743  -5.799  -2.435
  568   2HB   LEU  61          1HB       LEU  61   7.337  -6.001  -3.461
  569    HG   LEU  61           HG       LEU  61   8.119  -3.434  -2.074
  570   1HD1  LEU  61          1HD1      LEU  61   9.668  -4.055  -3.864
  571   2HD1  LEU  61          2HD1      LEU  61   8.695  -2.651  -4.308
  572   3HD1  LEU  61          3HD1      LEU  61   8.309  -4.236  -4.976
  573   1HD2  LEU  61          1HD2      LEU  61   5.700  -3.660  -2.387
  574   2HD2  LEU  61          2HD2      LEU  61   5.953  -4.010  -4.097
  575   3HD2  LEU  61          3HD2      LEU  61   6.374  -2.424  -3.451
  576    H    SER  62           HN       SER  62   5.707  -7.467  -2.893
  577    HA   SER  62           HA       SER  62   5.280  -9.675  -3.080
  578   1HB   SER  62          2HB       SER  62   8.183  -9.819  -2.269
  579   2HB   SER  62          1HB       SER  62   7.292 -11.036  -3.181
  580    HG   SER  62           HG       SER  62   7.716  -9.938  -4.909
  581    H    SER  63           HN       SER  63   7.665 -10.164  -0.507
  582    HA   SER  63           HA       SER  63   6.354 -12.427   0.451
  583   1HB   SER  63          2HB       SER  63   8.398 -10.713   1.860
  584   2HB   SER  63          1HB       SER  63   8.005 -12.387   2.250
  585    HG   SER  63           HG       SER  63   8.974 -13.070   0.441
  586    H    ASP  64           HN       ASP  64   5.570  -9.186   1.091
  587    HA   ASP  64           HA       ASP  64   3.985  -8.233   2.420
  588   1HB   ASP  64          2HB       ASP  64   2.828 -10.438   1.523
  589   2HB   ASP  64          1HB       ASP  64   2.976 -10.958   3.196
  590    H    VAL  65           HN       VAL  65   6.511  -8.871   3.442
  591    HA   VAL  65           HA       VAL  65   6.520  -9.982   6.018
  592    HB   VAL  65           HB       VAL  65   8.273  -7.739   5.096
  593   1HG1  VAL  65          1HG1      VAL  65   9.987  -8.861   6.475
  594   2HG1  VAL  65          2HG1      VAL  65   8.780 -10.051   6.962
  595   3HG1  VAL  65          3HG1      VAL  65   8.580  -8.357   7.413
  596   1HG2  VAL  65          1HG2      VAL  65   9.792  -9.442   4.137
  597   2HG2  VAL  65          2HG2      VAL  65   8.246  -9.339   3.295
  598   3HG2  VAL  65          3HG2      VAL  65   8.549 -10.661   4.422
  599    H    ILE  66           HN       ILE  66   5.523  -6.928   4.791
  600    HA   ILE  66           HA       ILE  66   4.539  -5.101   5.723
  601    HB   ILE  66           HB       ILE  66   4.999  -6.310   8.459
  602   1HG1  ILE  66          2HG1      ILE  66   2.503  -6.481   6.753
  603   2HG1  ILE  66          1HG1      ILE  66   3.688  -7.781   6.889
  604   1HG2  ILE  66          1HG2      ILE  66   3.118  -4.835   9.086
  605   2HG2  ILE  66          2HG2      ILE  66   3.123  -4.172   7.452
  606   3HG2  ILE  66          3HG2      ILE  66   4.521  -3.939   8.502
  607   1HD1  ILE  66          1HD1      ILE  66   1.772  -8.158   8.337
  608   2HD1  ILE  66          2HD1      ILE  66   2.069  -6.620   9.147
  609   3HD1  ILE  66          3HD1      ILE  66   3.244  -7.930   9.282
  610    H    SER  67           HN       SER  67   7.371  -6.346   7.409
  611    HA   SER  67           HA       SER  67   9.397  -5.493   7.868
  612   1HB   SER  67          2HB       SER  67   8.464  -3.366   5.962
  613   2HB   SER  67          1HB       SER  67  10.099  -3.412   6.625
  614    HG   SER  67           HG       SER  67  10.304  -4.555   4.803
  615    H    ALA  68           HN       ALA  68   7.445  -2.500   7.677
  616    HA   ALA  68           HA       ALA  68   8.390  -1.703  10.307
  617   1HB   ALA  68          1HB       ALA  68   6.392  -0.397   8.454
  618   2HB   ALA  68          2HB       ALA  68   8.110  -0.011   8.559
  619   3HB   ALA  68          3HB       ALA  68   7.050   0.313   9.930
  620    H    LEU  69           HN       LEU  69   7.474  -2.422  12.083
  621    HA   LEU  69           HA       LEU  69   6.015  -3.385  13.522
  622   1HB   LEU  69          2HB       LEU  69   3.956  -1.909  11.878
  623   2HB   LEU  69          1HB       LEU  69   3.720  -2.543  13.497
  624    HG   LEU  69           HG       LEU  69   5.682  -0.369  12.761
  625   1HD1  LEU  69          1HD1      LEU  69   3.014  -0.205  14.165
  626   2HD1  LEU  69          2HD1      LEU  69   3.371   0.381  12.541
  627   3HD1  LEU  69          3HD1      LEU  69   4.148   1.127  13.936
  628   1HD2  LEU  69          1HD2      LEU  69   5.869  -0.072  15.196
  629   2HD2  LEU  69          2HD2      LEU  69   6.418  -1.666  14.679
  630   3HD2  LEU  69          3HD2      LEU  69   4.837  -1.481  15.438
  631    H    SER  70           HN       SER  70   6.842  -5.147  11.778
  632    HA   SER  70           HA       SER  70   4.991  -6.431  10.111
  633   1HB   SER  70          2HB       SER  70   7.392  -6.895  10.042
  634   2HB   SER  70          1HB       SER  70   7.328  -7.585  11.663
  635    HG   SER  70           HG       SER  70   6.239  -8.596   9.252
  636    H    SER  71           HN       SER  71   5.413  -6.492  13.572
  637    HA   SER  71           HA       SER  71   3.416  -8.621  13.804
  638   1HB   SER  71          2HB       SER  71   5.163  -7.337  15.923
  639   2HB   SER  71          1HB       SER  71   4.065  -8.691  16.184
  640    HG   SER  71           HG       SER  71   5.386  -9.683  14.367
  641    H    GLN  72           HN       GLN  72   2.659  -6.070  12.827
  642    HA   GLN  72           HA       GLN  72   1.475  -4.363  14.654
  643   1HB   GLN  72          2HB       GLN  72  -0.169  -3.872  12.807
  644   2HB   GLN  72          1HB       GLN  72   1.525  -3.735  12.361
  645   1HG   GLN  72          2HG       GLN  72   1.448  -5.889  11.258
  646   2HG   GLN  72          1HG       GLN  72  -0.227  -6.113  11.772
  647   1HE2  GLN  72          1HE2      GLN  72  -0.843  -3.259  11.287
  648   2HE2  GLN  72          2HE2      GLN  72  -0.957  -3.097   9.571
  649    H    LYS  73           HN       LYS  73  -0.116  -4.550  16.057
  650    HA   LYS  73           HA       LYS  73  -1.624  -7.051  16.054
  651   1HB   LYS  73          2HB       LYS  73  -1.876  -6.763  18.439
  652   2HB   LYS  73          1HB       LYS  73  -0.187  -6.593  17.997
  653   1HG   LYS  73          2HG       LYS  73  -1.966  -4.214  18.405
  654   2HG   LYS  73          1HG       LYS  73  -1.093  -4.985  19.729
  655   1HD   LYS  73          2HD       LYS  73   1.022  -4.595  18.551
  656   2HD   LYS  73          1HD       LYS  73   0.140  -3.818  17.235
  657   1HE   LYS  73          2HE       LYS  73   1.103  -2.149  18.721
  658   2HE   LYS  73          1HE       LYS  73  -0.657  -2.101  18.789
  659   1HZ   LYS  73          1HZ       LYS  73   1.023  -3.546  20.765
  660   2HZ   LYS  73          2HZ       LYS  73  -0.643  -3.234  20.862
  661   3HZ   LYS  73          3HZ       LYS  73   0.467  -1.961  20.989
  662    H    LYS  74           HN       LYS  74  -3.750  -7.113  15.899
  663    HA   LYS  74           HA       LYS  74  -5.319  -4.730  16.529
  664   1HB   LYS  74          2HB       LYS  74  -5.553  -6.356  13.996
  665   2HB   LYS  74          1HB       LYS  74  -6.837  -5.311  14.578
  666   1HG   LYS  74          2HG       LYS  74  -5.223  -3.405  14.468
  667   2HG   LYS  74          1HG       LYS  74  -4.086  -4.500  13.676
  668   1HD   LYS  74          2HD       LYS  74  -5.336  -3.178  12.037
  669   2HD   LYS  74          1HD       LYS  74  -5.702  -4.899  11.888
  670   1HE   LYS  74          2HE       LYS  74  -7.737  -4.522  13.263
  671   2HE   LYS  74          1HE       LYS  74  -7.391  -2.796  13.237
  672   1HZ   LYS  74          1HZ       LYS  74  -9.031  -3.519  11.557
  673   2HZ   LYS  74          2HZ       LYS  74  -7.829  -4.449  10.809
  674   3HZ   LYS  74          3HZ       LYS  74  -7.677  -2.759  10.876
  Start of MODEL   13
    1    H    HIS  -9           H        HIS  -9  19.409  14.555 -17.903
    2    HA   HIS  -9           HA       HIS  -9  18.383  14.107 -20.026
    3   1HB   HIS  -9          2HB       HIS  -9  18.035  11.315 -18.900
    4   2HB   HIS  -9          1HB       HIS  -9  17.256  11.911 -20.359
    5    HD1  HIS  -9           1HD      HIS  -9  20.275  10.261 -19.163
    6    HD2  HIS  -9           2HD      HIS  -9  19.182  12.531 -22.480
    7    HE1  HIS  -9           1HE      HIS  -9  22.056   9.849 -20.893
    8    HE2  HIS  -9           2HE      HIS  -9  21.492  11.405 -22.791
    9    H    SER  -8           HN       SER  -8  17.014  12.174 -17.356
   10    HA   SER  -8           HA       SER  -8  15.018  14.273 -16.947
   11   1HB   SER  -8          2HB       SER  -8  13.249  12.452 -16.875
   12   2HB   SER  -8          1HB       SER  -8  13.888  12.835 -18.473
   13    HG   SER  -8           HG       SER  -8  13.755  10.567 -18.064
   14    H    SER  -7           HN       SER  -7  17.331  13.330 -15.394
   15    HA   SER  -7           HA       SER  -7  16.283  11.763 -13.221
   16   1HB   SER  -7          2HB       SER  -7  18.708  11.779 -13.972
   17   2HB   SER  -7          1HB       SER  -7  18.846  13.376 -13.236
   18    HG   SER  -7           HG       SER  -7  17.932  11.089 -11.811
   19    H    GLY  -6           HN       GLY  -6  16.065  14.985 -14.129
   20   1HA   GLY  -6          2HA       GLY  -6  15.775  16.132 -11.502
   21   2HA   GLY  -6          1HA       GLY  -6  15.318  16.883 -13.028
   22    H    HIS  -5           HN       HIS  -5  14.045  13.869 -12.997
   23    HA   HIS  -5           HA       HIS  -5  11.354  14.705 -12.603
   24   1HB   HIS  -5          2HB       HIS  -5  11.857  12.917 -14.152
   25   2HB   HIS  -5          1HB       HIS  -5  12.665  11.988 -12.903
   26    HD1  HIS  -5           1HD      HIS  -5   9.299  12.756 -14.316
   27    HD2  HIS  -5           2HD      HIS  -5  10.956  10.599 -11.177
   28    HE1  HIS  -5           1HE      HIS  -5   7.462  11.275 -13.467
   29    HE2  HIS  -5           2HE      HIS  -5   8.569   9.798 -11.758
   30    H    ILE  -4           HN       ILE  -4  10.188  14.742 -10.745
   31    HA   ILE  -4           HA       ILE  -4  11.594  14.187  -8.308
   32    HB   ILE  -4           HB       ILE  -4   9.811  15.162  -7.104
   33   1HG1  ILE  -4          2HG1      ILE  -4   7.934  13.982  -8.205
   34   2HG1  ILE  -4          1HG1      ILE  -4   7.622  15.703  -8.004
   35   1HG2  ILE  -4          1HG2      ILE  -4   9.507  17.327  -8.208
   36   2HG2  ILE  -4          2HG2      ILE  -4  10.106  16.629  -9.714
   37   3HG2  ILE  -4          3HG2      ILE  -4  11.170  16.747  -8.313
   38   1HD1  ILE  -4          1HD1      ILE  -4   8.164  16.070 -10.361
   39   2HD1  ILE  -4          2HD1      ILE  -4   6.844  14.918 -10.162
   40   3HD1  ILE  -4          3HD1      ILE  -4   8.465  14.344 -10.555
   41    H    GLU  -3           HN       GLU  -3  11.417  12.527  -7.002
   42    HA   GLU  -3           HA       GLU  -3   9.243  10.602  -7.455
   43   1HB   GLU  -3          2HB       GLU  -3  12.137  10.016  -6.783
   44   2HB   GLU  -3          1HB       GLU  -3  10.850   8.816  -6.740
   45   1HG   GLU  -3          2HG       GLU  -3  10.458   9.119  -9.119
   46   2HG   GLU  -3          1HG       GLU  -3  11.706  10.364  -9.179
   47    H    GLY  -2           HN       GLY  -2   9.549   9.004  -5.268
   48   1HA   GLY  -2          2HA       GLY  -2   9.864   9.347  -2.822
   49   2HA   GLY  -2          1HA       GLY  -2   9.234  10.971  -3.083
   50    H    ARG  -1           HN       ARG  -1   7.770   8.586  -4.970
   51    HA   ARG  -1           HA       ARG  -1   5.322   8.892  -3.428
   52   1HB   ARG  -1          2HB       ARG  -1   4.149   8.101  -5.311
   53   2HB   ARG  -1          1HB       ARG  -1   5.445   9.074  -5.995
   54   1HG   ARG  -1          2HG       ARG  -1   6.700   7.130  -6.573
   55   2HG   ARG  -1          1HG       ARG  -1   5.586   6.088  -5.680
   56   1HD   ARG  -1          2HD       ARG  -1   5.165   5.936  -8.066
   57   2HD   ARG  -1          1HD       ARG  -1   3.795   6.670  -7.240
   58    HE   ARG  -1           HE       ARG  -1   5.756   8.462  -8.445
   59   1HH1  ARG  -1          1HH1      ARG  -1   2.591   6.944  -8.572
   60   2HH1  ARG  -1          2HH1      ARG  -1   2.005   8.006  -9.820
   61   1HH2  ARG  -1          1HH2      ARG  -1   4.976   9.860 -10.059
   62   2HH2  ARG  -1          2HH2      ARG  -1   3.360   9.660 -10.675
   63    H    HIS   0           HN       HIS   0   3.967   6.842  -3.215
   64    HA   HIS   0           HA       HIS   0   5.673   4.543  -2.645
   65   1HB   HIS   0          2HB       HIS   0   4.499   4.221  -0.453
   66   2HB   HIS   0          1HB       HIS   0   5.578   5.607  -0.513
   67    HD1  HIS   0           1HD      HIS   0   4.622   7.579   0.595
   68    HD2  HIS   0           2HD      HIS   0   1.685   5.180  -1.078
   69    HE1  HIS   0           1HE      HIS   0   2.438   8.696   1.157
   70    HE2  HIS   0           2HE      HIS   0   0.669   7.122   0.300
   71    H    MET   1           HN       MET   1   4.869   2.755  -3.403
   72    HA   MET   1           HA       MET   1   1.951   2.515  -3.669
   73   1HB   MET   1          2HB       MET   1   3.001   2.355  -5.845
   74   2HB   MET   1          1HB       MET   1   4.164   1.186  -5.246
   75   1HG   MET   1          2HG       MET   1   2.272  -0.378  -4.824
   76   2HG   MET   1          1HG       MET   1   1.211   0.785  -5.620
   77   1HE   MET   1          1HE       MET   1   1.364   1.430  -8.168
   78   2HE   MET   1          2HE       MET   1   2.595   0.816  -9.271
   79   3HE   MET   1          3HE       MET   1   3.050   1.903  -7.959
   80    H    LEU   2           HN       LEU   2   1.170   1.364  -2.013
   81    HA   LEU   2           HA       LEU   2   2.931  -0.649  -0.813
   82   1HB   LEU   2          2HB       LEU   2   1.855   1.170   0.620
   83   2HB   LEU   2          1HB       LEU   2   0.325   0.359   0.327
   84    HG   LEU   2           HG       LEU   2   1.508  -0.157   2.536
   85   1HD1  LEU   2          1HD1      LEU   2   0.898  -2.516   2.517
   86   2HD1  LEU   2          2HD1      LEU   2   0.803  -2.485   0.755
   87   3HD1  LEU   2          3HD1      LEU   2  -0.329  -1.536   1.718
   88   1HD2  LEU   2          1HD2      LEU   2   3.237  -1.809   0.710
   89   2HD2  LEU   2          2HD2      LEU   2   3.234  -1.865   2.473
   90   3HD2  LEU   2          3HD2      LEU   2   3.753  -0.401   1.638
   91    H    VAL   3           HN       VAL   3   2.667  -2.597  -1.420
   92    HA   VAL   3           HA       VAL   3   0.347  -3.451  -2.859
   93    HB   VAL   3           HB       VAL   3   1.690  -5.638  -2.868
   94   1HG1  VAL   3          1HG1      VAL   3   1.525  -4.119  -4.773
   95   2HG1  VAL   3          2HG1      VAL   3   3.139  -4.824  -4.659
   96   3HG1  VAL   3          3HG1      VAL   3   2.859  -3.165  -4.126
   97   1HG2  VAL   3          1HG2      VAL   3   4.036  -5.506  -2.377
   98   2HG2  VAL   3          2HG2      VAL   3   3.139  -5.014  -0.940
   99   3HG2  VAL   3          3HG2      VAL   3   3.896  -3.797  -1.965
  100    H    LEU   4           HN       LEU   4  -1.343  -4.344  -1.994
  101    HA   LEU   4           HA       LEU   4  -1.153  -5.591   0.663
  102   1HB   LEU   4          2HB       LEU   4  -3.183  -3.940  -0.675
  103   2HB   LEU   4          1HB       LEU   4  -3.846  -5.387   0.047
  104    HG   LEU   4           HG       LEU   4  -2.524  -3.042   1.390
  105   1HD1  LEU   4          1HD1      LEU   4  -4.906  -2.925   1.039
  106   2HD1  LEU   4          2HD1      LEU   4  -4.559  -3.133   2.757
  107   3HD1  LEU   4          3HD1      LEU   4  -5.124  -4.502   1.798
  108   1HD2  LEU   4          1HD2      LEU   4  -2.934  -5.801   2.540
  109   2HD2  LEU   4          2HD2      LEU   4  -2.669  -4.353   3.512
  110   3HD2  LEU   4          3HD2      LEU   4  -1.416  -4.912   2.405
  111    H    SER   5           HN       SER   5  -1.413  -7.735   0.753
  112    HA   SER   5           HA       SER   5  -1.723  -9.110  -1.786
  113   1HB   SER   5          2HB       SER   5  -1.050 -10.216   0.949
  114   2HB   SER   5          1HB       SER   5  -0.855 -11.042  -0.598
  115    HG   SER   5           HG       SER   5   1.030 -10.125  -0.754
  116    H    ARG   6           HN       ARG   6  -3.772  -9.435  -2.384
  117    HA   ARG   6           HA       ARG   6  -5.618 -10.701  -0.538
  118   1HB   ARG   6          2HB       ARG   6  -5.856  -8.181  -0.261
  119   2HB   ARG   6          1HB       ARG   6  -6.416  -8.134  -1.927
  120   1HG   ARG   6          2HG       ARG   6  -8.303  -9.523  -1.380
  121   2HG   ARG   6          1HG       ARG   6  -7.709  -9.736   0.267
  122   1HD   ARG   6          2HD       ARG   6  -7.939  -7.308   0.633
  123   2HD   ARG   6          1HD       ARG   6  -8.608  -7.145  -0.992
  124    HE   ARG   6           HE       ARG   6 -10.035  -9.074   0.556
  125   1HH1  ARG   6          1HH1      ARG   6  -9.681  -5.611   0.075
  126   2HH1  ARG   6          2HH1      ARG   6 -11.304  -5.256   0.572
  127   1HH2  ARG   6          1HH2      ARG   6 -12.133  -8.605   1.241
  128   2HH2  ARG   6          2HH2      ARG   6 -12.704  -6.963   1.257
  129    H    LYS   7           HN       LYS   7  -6.713 -12.209  -1.623
  130    HA   LYS   7           HA       LYS   7  -5.984 -12.382  -4.452
  131   1HB   LYS   7          2HB       LYS   7  -6.922 -14.522  -2.531
  132   2HB   LYS   7          1HB       LYS   7  -6.462 -14.802  -4.206
  133   1HG   LYS   7          2HG       LYS   7  -4.530 -15.374  -3.112
  134   2HG   LYS   7          1HG       LYS   7  -4.220 -13.678  -3.481
  135   1HD   LYS   7          2HD       LYS   7  -5.435 -13.440  -1.080
  136   2HD   LYS   7          1HD       LYS   7  -4.671 -15.009  -0.889
  137   1HE   LYS   7          2HE       LYS   7  -2.513 -14.025  -1.499
  138   2HE   LYS   7          1HE       LYS   7  -3.271 -12.429  -1.655
  139   1HZ   LYS   7          1HZ       LYS   7  -2.182 -12.773   0.520
  140   2HZ   LYS   7          2HZ       LYS   7  -3.214 -14.079   0.833
  141   3HZ   LYS   7          3HZ       LYS   7  -3.849 -12.516   0.692
  142    H    ILE   8           HN       ILE   8  -7.973 -10.661  -3.874
  143    HA   ILE   8           HA       ILE   8 -10.415 -11.977  -4.853
  144    HB   ILE   8           HB       ILE   8 -10.304  -9.218  -3.641
  145   1HG1  ILE   8          2HG1      ILE   8  -9.359 -10.818  -1.992
  146   2HG1  ILE   8          1HG1      ILE   8 -10.895 -10.132  -1.470
  147   1HG2  ILE   8          1HG2      ILE   8 -12.294  -9.789  -4.903
  148   2HG2  ILE   8          2HG2      ILE   8 -12.676  -9.651  -3.188
  149   3HG2  ILE   8          3HG2      ILE   8 -12.519 -11.243  -3.930
  150   1HD1  ILE   8          1HD1      ILE   8 -10.778 -12.487  -0.950
  151   2HD1  ILE   8          2HD1      ILE   8 -10.481 -12.868  -2.646
  152   3HD1  ILE   8          3HD1      ILE   8 -12.032 -12.186  -2.152
  153    H    ASN   9           HN       ASN   9  -7.872  -9.787  -5.410
  154    HA   ASN   9           HA       ASN   9  -7.495  -8.020  -6.790
  155   1HB   ASN   9          2HB       ASN   9  -7.974  -8.729  -9.270
  156   2HB   ASN   9          1HB       ASN   9  -6.720  -9.525  -8.328
  157   1HD2  ASN   9          1HD2      ASN   9  -9.866  -9.843  -9.764
  158   2HD2  ASN   9          2HD2      ASN   9  -9.977 -11.563  -9.592
  159    H    GLU  10           HN       GLU  10  -9.826  -7.619  -5.487
  160    HA   GLU  10           HA       GLU  10 -11.744  -6.542  -7.359
  161   1HB   GLU  10          2HB       GLU  10 -12.875  -5.724  -5.277
  162   2HB   GLU  10          1HB       GLU  10 -12.631  -7.465  -5.317
  163   1HG   GLU  10          2HG       GLU  10 -10.826  -7.341  -3.783
  164   2HG   GLU  10          1HG       GLU  10 -10.767  -5.583  -3.891
  165    H    ALA  11           HN       ALA  11 -12.427  -4.165  -6.162
  166    HA   ALA  11           HA       ALA  11 -10.018  -2.538  -6.666
  167   1HB   ALA  11          1HB       ALA  11 -12.929  -1.795  -7.027
  168   2HB   ALA  11          2HB       ALA  11 -11.800  -2.207  -8.318
  169   3HB   ALA  11          3HB       ALA  11 -11.546  -0.751  -7.356
  170    H    ILE  12           HN       ILE  12  -9.434  -1.008  -5.168
  171    HA   ILE  12           HA       ILE  12 -10.929  -1.161  -2.646
  172    HB   ILE  12           HB       ILE  12  -8.036  -0.393  -3.054
  173   1HG1  ILE  12          2HG1      ILE  12  -8.424  -2.759  -3.553
  174   2HG1  ILE  12          1HG1      ILE  12  -7.524  -2.578  -2.053
  175   1HG2  ILE  12          1HG2      ILE  12  -9.616  -0.895  -0.537
  176   2HG2  ILE  12          2HG2      ILE  12  -9.007   0.664  -1.095
  177   3HG2  ILE  12          3HG2      ILE  12  -7.879  -0.604  -0.612
  178   1HD1  ILE  12          1HD1      ILE  12 -10.470  -3.143  -2.273
  179   2HD1  ILE  12          2HD1      ILE  12  -9.550  -2.996  -0.776
  180   3HD1  ILE  12          3HD1      ILE  12  -9.214  -4.319  -1.892
  181    H    GLN  13           HN       GLN  13 -12.256   0.478  -2.483
  182    HA   GLN  13           HA       GLN  13 -11.140   3.177  -2.790
  183   1HB   GLN  13          2HB       GLN  13 -12.774   2.971  -4.508
  184   2HB   GLN  13          1HB       GLN  13 -13.914   2.181  -3.431
  185   1HG   GLN  13          2HG       GLN  13 -14.482   4.529  -4.008
  186   2HG   GLN  13          1HG       GLN  13 -14.365   4.205  -2.283
  187   1HE2  GLN  13          1HE2      GLN  13 -12.821   5.745  -5.012
  188   2HE2  GLN  13          2HE2      GLN  13 -11.818   6.804  -4.090
  189    H    ILE  14           HN       ILE  14 -10.703   3.824  -0.829
  190    HA   ILE  14           HA       ILE  14 -12.712   3.353   1.256
  191    HB   ILE  14           HB       ILE  14 -10.856   3.662   2.920
  192   1HG1  ILE  14          2HG1      ILE  14  -9.274   4.615   1.089
  193   2HG1  ILE  14          1HG1      ILE  14  -8.600   3.571   2.332
  194   1HG2  ILE  14          1HG2      ILE  14 -10.120   1.344   2.760
  195   2HG2  ILE  14          2HG2      ILE  14 -10.675   1.278   1.087
  196   3HG2  ILE  14          3HG2      ILE  14 -11.840   1.494   2.394
  197   1HD1  ILE  14          1HD1      ILE  14  -7.693   3.024   0.158
  198   2HD1  ILE  14          2HD1      ILE  14  -9.318   2.759  -0.474
  199   3HD1  ILE  14          3HD1      ILE  14  -8.671   1.688   0.767
  200    H    GLY  15           HN       GLY  15 -13.747   5.024   1.917
  201   1HA   GLY  15          2HA       GLY  15 -14.161   7.126   2.746
  202   2HA   GLY  15          1HA       GLY  15 -12.460   7.514   2.534
  203    H    ALA  16           HN       ALA  16 -11.808   7.642   0.190
  204    HA   ALA  16           HA       ALA  16 -13.321   8.292  -1.956
  205   1HB   ALA  16          1HB       ALA  16 -13.533  10.741  -1.938
  206   2HB   ALA  16          2HB       ALA  16 -12.922  10.784  -0.283
  207   3HB   ALA  16          3HB       ALA  16 -14.472  10.016  -0.631
  208    H    ASP  17           HN       ASP  17 -10.655   9.013   0.093
  209    HA   ASP  17           HA       ASP  17  -9.092  10.466  -1.767
  210   1HB   ASP  17          2HB       ASP  17  -8.709   9.426   0.976
  211   2HB   ASP  17          1HB       ASP  17  -7.244   9.588   0.004
  212    H    ILE  18           HN       ILE  18  -9.460   7.032  -1.102
  213    HA   ILE  18           HA       ILE  18  -7.202   6.617  -2.950
  214    HB   ILE  18           HB       ILE  18  -7.888   4.896  -0.568
  215   1HG1  ILE  18          2HG1      ILE  18  -6.715   6.989  -0.003
  216   2HG1  ILE  18          1HG1      ILE  18  -5.697   5.582   0.277
  217   1HG2  ILE  18          1HG2      ILE  18  -5.915   3.577  -1.196
  218   2HG2  ILE  18          2HG2      ILE  18  -5.735   4.553  -2.655
  219   3HG2  ILE  18          3HG2      ILE  18  -7.158   3.535  -2.447
  220   1HD1  ILE  18          1HD1      ILE  18  -4.512   6.020  -1.803
  221   2HD1  ILE  18          2HD1      ILE  18  -4.448   7.411  -0.722
  222   3HD1  ILE  18          3HD1      ILE  18  -5.546   7.417  -2.103
  223    H    GLU  19           HN       GLU  19  -8.170   6.203  -4.760
  224    HA   GLU  19           HA       GLU  19  -9.899   3.813  -4.900
  225   1HB   GLU  19          2HB       GLU  19 -11.027   5.866  -5.675
  226   2HB   GLU  19          1HB       GLU  19  -9.701   6.182  -6.784
  227   1HG   GLU  19          2HG       GLU  19 -11.388   5.290  -8.113
  228   2HG   GLU  19          1HG       GLU  19 -10.277   3.946  -7.852
  229    H    VAL  20           HN       VAL  20  -8.628   2.103  -5.563
  230    HA   VAL  20           HA       VAL  20  -7.230   2.160  -8.002
  231    HB   VAL  20           HB       VAL  20  -5.665   3.628  -6.852
  232   1HG1  VAL  20          1HG1      VAL  20  -4.305   2.823  -4.975
  233   2HG1  VAL  20          2HG1      VAL  20  -5.283   1.355  -4.910
  234   3HG1  VAL  20          3HG1      VAL  20  -6.020   2.920  -4.564
  235   1HG2  VAL  20          1HG2      VAL  20  -3.593   2.387  -7.271
  236   2HG2  VAL  20          2HG2      VAL  20  -4.778   2.144  -8.555
  237   3HG2  VAL  20          3HG2      VAL  20  -4.516   0.886  -7.346
  238    H    LYS  21           HN       LYS  21  -6.967   0.156  -8.712
  239    HA   LYS  21           HA       LYS  21  -6.059  -1.881  -6.831
  240   1HB   LYS  21          2HB       LYS  21  -7.289  -3.496  -8.541
  241   2HB   LYS  21          1HB       LYS  21  -8.083  -2.853  -7.119
  242   1HG   LYS  21          2HG       LYS  21  -9.615  -2.653  -8.905
  243   2HG   LYS  21          1HG       LYS  21  -9.020  -1.028  -8.570
  244   1HD   LYS  21          2HD       LYS  21  -7.441  -1.263 -10.459
  245   2HD   LYS  21          1HD       LYS  21  -8.139  -2.843 -10.810
  246   1HE   LYS  21          2HE       LYS  21  -9.100  -1.193 -12.279
  247   2HE   LYS  21          1HE       LYS  21 -10.331  -1.770 -11.155
  248   1HZ   LYS  21          1HZ       LYS  21 -10.241   0.700 -11.551
  249   2HZ   LYS  21          2HZ       LYS  21  -8.787   0.718 -10.682
  250   3HZ   LYS  21          3HZ       LYS  21 -10.221   0.218  -9.926
  251    H    VAL  22           HN       VAL  22  -3.973  -1.776  -7.353
  252    HA   VAL  22           HA       VAL  22  -3.266  -2.264 -10.166
  253    HB   VAL  22           HB       VAL  22  -1.486  -1.378  -7.881
  254   1HG1  VAL  22          1HG1      VAL  22  -0.833  -1.805 -10.797
  255   2HG1  VAL  22          2HG1      VAL  22  -0.255  -2.775  -9.442
  256   3HG1  VAL  22          3HG1      VAL  22   0.250  -1.092  -9.600
  257   1HG2  VAL  22          1HG2      VAL  22  -1.319   0.734  -9.111
  258   2HG2  VAL  22          2HG2      VAL  22  -2.983   0.390  -8.646
  259   3HG2  VAL  22          3HG2      VAL  22  -2.459   0.127 -10.310
  260    H    ILE  23           HN       ILE  23  -3.178  -4.355 -10.582
  261    HA   ILE  23           HA       ILE  23  -2.607  -6.205  -8.414
  262    HB   ILE  23           HB       ILE  23  -3.539  -6.752 -11.232
  263   1HG1  ILE  23          2HG1      ILE  23  -5.165  -6.821  -8.686
  264   2HG1  ILE  23          1HG1      ILE  23  -5.071  -5.378  -9.694
  265   1HG2  ILE  23          1HG2      ILE  23  -4.143  -8.966 -10.375
  266   2HG2  ILE  23          2HG2      ILE  23  -3.454  -8.545  -8.806
  267   3HG2  ILE  23          3HG2      ILE  23  -2.410  -8.669 -10.224
  268   1HD1  ILE  23          1HD1      ILE  23  -6.057  -6.608 -11.548
  269   2HD1  ILE  23          2HD1      ILE  23  -7.091  -6.692 -10.121
  270   3HD1  ILE  23          3HD1      ILE  23  -6.094  -8.075 -10.572
  271    H    ALA  24           HN       ALA  24  -0.757  -7.240  -8.195
  272    HA   ALA  24           HA       ALA  24   1.207  -7.001 -10.368
  273   1HB   ALA  24          1HB       ALA  24   2.935  -6.486  -8.737
  274   2HB   ALA  24          2HB       ALA  24   1.752  -6.575  -7.434
  275   3HB   ALA  24          3HB       ALA  24   1.628  -5.305  -8.652
  276    H    VAL  25           HN       VAL  25   3.290  -8.314  -9.516
  277    HA   VAL  25           HA       VAL  25   2.283 -11.041  -9.487
  278    HB   VAL  25           HB       VAL  25   5.105 -10.063  -9.954
  279   1HG1  VAL  25          1HG1      VAL  25   5.002 -12.400  -9.268
  280   2HG1  VAL  25          2HG1      VAL  25   5.454 -12.265 -10.967
  281   3HG1  VAL  25          3HG1      VAL  25   3.812 -12.727 -10.527
  282   1HG2  VAL  25          1HG2      VAL  25   3.572  -9.159 -11.627
  283   2HG2  VAL  25          2HG2      VAL  25   2.969 -10.784 -11.960
  284   3HG2  VAL  25          3HG2      VAL  25   4.643 -10.371 -12.333
  285    H    GLU  26           HN       GLU  26   2.168 -12.116  -7.671
  286    HA   GLU  26           HA       GLU  26   4.143 -11.617  -5.535
  287   1HB   GLU  26          2HB       GLU  26   1.687 -11.125  -5.049
  288   2HB   GLU  26          1HB       GLU  26   1.392 -12.846  -5.262
  289   1HG   GLU  26          2HG       GLU  26   1.542 -12.677  -2.988
  290   2HG   GLU  26          1HG       GLU  26   3.189 -13.133  -3.415
  291    H    GLY  27           HN       GLY  27   4.416 -13.282  -7.883
  292   1HA   GLY  27          2HA       GLY  27   5.479 -15.350  -8.219
  293   2HA   GLY  27          1HA       GLY  27   4.913 -15.865  -6.635
  294    H    ASP  28           HN       ASP  28   2.742 -16.527  -6.395
  295    HA   ASP  28           HA       ASP  28   1.253 -17.045  -8.875
  296   1HB   ASP  28          2HB       ASP  28   1.733 -18.984  -6.601
  297   2HB   ASP  28          1HB       ASP  28   0.472 -19.213  -7.806
  298    H    GLN  29           HN       GLN  29   1.265 -15.122  -6.636
  299    HA   GLN  29           HA       GLN  29  -1.424 -15.539  -5.515
  300   1HB   GLN  29          2HB       GLN  29   0.321 -15.690  -3.845
  301   2HB   GLN  29          1HB       GLN  29   1.023 -14.185  -4.411
  302   1HG   GLN  29          2HG       GLN  29  -0.790 -12.922  -3.557
  303   2HG   GLN  29          1HG       GLN  29  -1.707 -14.388  -3.193
  304   1HE2  GLN  29          1HE2      GLN  29  -0.599 -12.138  -1.534
  305   2HE2  GLN  29          2HE2      GLN  29   0.242 -12.935  -0.254
  306    H    VAL  30           HN       VAL  30  -2.811 -13.711  -5.498
  307    HA   VAL  30           HA       VAL  30  -1.848 -11.546  -7.215
  308    HB   VAL  30           HB       VAL  30  -4.262 -11.066  -7.723
  309   1HG1  VAL  30          1HG1      VAL  30  -4.519 -12.963  -9.298
  310   2HG1  VAL  30          2HG1      VAL  30  -3.161 -13.763  -8.505
  311   3HG1  VAL  30          3HG1      VAL  30  -2.916 -12.230  -9.345
  312   1HG2  VAL  30          1HG2      VAL  30  -5.291 -12.154  -5.826
  313   2HG2  VAL  30          2HG2      VAL  30  -4.680 -13.721  -6.358
  314   3HG2  VAL  30          3HG2      VAL  30  -5.890 -12.872  -7.323
  315    H    LYS  31           HN       LYS  31  -1.778  -9.609  -6.536
  316    HA   LYS  31           HA       LYS  31  -3.132  -8.870  -4.057
  317   1HB   LYS  31          2HB       LYS  31  -1.077  -8.081  -3.102
  318   2HB   LYS  31          1HB       LYS  31  -0.827  -9.753  -3.640
  319   1HG   LYS  31          2HG       LYS  31   0.144  -8.804  -5.753
  320   2HG   LYS  31          1HG       LYS  31   0.052  -7.208  -5.018
  321   1HD   LYS  31          2HD       LYS  31   1.658  -9.564  -4.059
  322   2HD   LYS  31          1HD       LYS  31   2.275  -8.073  -4.773
  323   1HE   LYS  31          2HE       LYS  31   1.295  -6.817  -2.879
  324   2HE   LYS  31          1HE       LYS  31   0.835  -8.358  -2.150
  325   1HZ   LYS  31          1HZ       LYS  31   2.941  -7.525  -1.267
  326   2HZ   LYS  31          2HZ       LYS  31   3.621  -7.559  -2.819
  327   3HZ   LYS  31          3HZ       LYS  31   3.141  -9.005  -2.069
  328    H    LEU  32           HN       LEU  32  -3.546  -6.640  -3.891
  329    HA   LEU  32           HA       LEU  32  -3.129  -5.101  -6.354
  330   1HB   LEU  32          2HB       LEU  32  -4.690  -3.455  -5.271
  331   2HB   LEU  32          1HB       LEU  32  -5.418  -4.984  -5.710
  332    HG   LEU  32           HG       LEU  32  -4.589  -5.360  -3.067
  333   1HD1  LEU  32          1HD1      LEU  32  -5.758  -2.601  -3.372
  334   2HD1  LEU  32          2HD1      LEU  32  -4.120  -2.989  -2.844
  335   3HD1  LEU  32          3HD1      LEU  32  -5.500  -3.457  -1.850
  336   1HD2  LEU  32          1HD2      LEU  32  -7.295  -4.522  -4.109
  337   2HD2  LEU  32          2HD2      LEU  32  -6.979  -5.323  -2.571
  338   3HD2  LEU  32          3HD2      LEU  32  -6.661  -6.166  -4.086
  339    H    GLY  33           HN       GLY  33  -2.474  -2.810  -6.075
  340   1HA   GLY  33          2HA       GLY  33  -1.008  -2.301  -3.580
  341   2HA   GLY  33          1HA       GLY  33  -0.190  -2.107  -5.127
  342    H    ILE  34           HN       ILE  34  -1.426  -0.339  -2.775
  343    HA   ILE  34           HA       ILE  34  -2.818   1.545  -4.518
  344    HB   ILE  34           HB       ILE  34  -3.546   2.738  -2.611
  345   1HG1  ILE  34          2HG1      ILE  34  -2.159   1.069  -0.588
  346   2HG1  ILE  34          1HG1      ILE  34  -1.158   2.241  -1.466
  347   1HG2  ILE  34          1HG2      ILE  34  -3.620  -0.207  -2.008
  348   2HG2  ILE  34          2HG2      ILE  34  -4.751   0.690  -3.020
  349   3HG2  ILE  34          3HG2      ILE  34  -4.673   1.009  -1.287
  350   1HD1  ILE  34          1HD1      ILE  34  -2.690   4.021  -0.783
  351   2HD1  ILE  34          2HD1      ILE  34  -2.016   3.172   0.609
  352   3HD1  ILE  34          3HD1      ILE  34  -3.671   2.844   0.091
  353    H    ASP  35           HN       ASP  35  -1.744   3.121  -5.486
  354    HA   ASP  35           HA       ASP  35   0.847   3.899  -4.339
  355   1HB   ASP  35          2HB       ASP  35   1.186   2.864  -6.479
  356   2HB   ASP  35          1HB       ASP  35  -0.065   3.853  -7.213
  357    H    ALA  36           HN       ALA  36   1.270   5.984  -3.961
  358    HA   ALA  36           HA       ALA  36  -0.777   7.969  -4.645
  359   1HB   ALA  36          1HB       ALA  36  -0.768   8.798  -2.328
  360   2HB   ALA  36          2HB       ALA  36   0.268   7.447  -1.868
  361   3HB   ALA  36          3HB       ALA  36  -1.373   7.146  -2.443
  362    HA   PRO  37           HA       PRO  37   2.737  10.551  -5.436
  363   1HB   PRO  37          2HB       PRO  37   1.045  12.872  -4.855
  364   2HB   PRO  37          1HB       PRO  37   1.745  12.356  -6.392
  365   1HG   PRO  37          2HG       PRO  37  -0.900  12.207  -5.902
  366   2HG   PRO  37          1HG       PRO  37  -0.059  11.019  -6.916
  367   1HD   PRO  37          2HD       PRO  37  -0.913  10.801  -4.049
  368   2HD   PRO  37          1HD       PRO  37  -1.033   9.602  -5.355
  369    H    LYS  38           HN       LYS  38   2.085   9.728  -2.589
  370    HA   LYS  38           HA       LYS  38   3.075   9.993  -0.583
  371   1HB   LYS  38          2HB       LYS  38   5.064  10.426  -2.018
  372   2HB   LYS  38          1HB       LYS  38   4.728  12.145  -1.890
  373   1HG   LYS  38          2HG       LYS  38   6.494  11.305  -0.364
  374   2HG   LYS  38          1HG       LYS  38   5.161  12.129   0.446
  375   1HD   LYS  38          2HD       LYS  38   4.315  10.171   1.347
  376   2HD   LYS  38          1HD       LYS  38   5.075   9.147   0.125
  377   1HE   LYS  38          2HE       LYS  38   6.207   8.895   2.255
  378   2HE   LYS  38          1HE       LYS  38   7.275   9.642   1.064
  379   1HZ   LYS  38          1HZ       LYS  38   6.870  11.788   2.059
  380   2HZ   LYS  38          2HZ       LYS  38   7.401  10.706   3.255
  381   3HZ   LYS  38          3HZ       LYS  38   5.760  11.123   3.156
  382    H    HIS  39           HN       HIS  39   0.818  11.819  -1.566
  383    HA   HIS  39           HA       HIS  39   0.832  14.041   0.195
  384   1HB   HIS  39          2HB       HIS  39  -1.544  14.147  -0.175
  385   2HB   HIS  39          1HB       HIS  39  -0.821  13.627  -1.694
  386    HD1  HIS  39           1HD      HIS  39  -0.447  10.634  -0.641
  387    HD2  HIS  39           2HD      HIS  39  -3.978  12.802  -0.621
  388    HE1  HIS  39           1HE      HIS  39  -2.244   8.945  -0.494
  389    HE2  HIS  39           2HE      HIS  39  -4.385  10.260  -0.859
  390    H    ILE  40           HN       ILE  40  -1.268  13.851   1.863
  391    HA   ILE  40           HA       ILE  40  -0.382  11.976   3.893
  392    HB   ILE  40           HB       ILE  40  -1.822  13.163   5.431
  393   1HG1  ILE  40          2HG1      ILE  40  -3.501  13.570   3.427
  394   2HG1  ILE  40          1HG1      ILE  40  -3.501  14.625   4.846
  395   1HG2  ILE  40          1HG2      ILE  40  -0.809  15.379   5.378
  396   2HG2  ILE  40          2HG2      ILE  40  -0.301  15.116   3.711
  397   3HG2  ILE  40          3HG2      ILE  40   0.378  14.129   5.004
  398   1HD1  ILE  40          1HD1      ILE  40  -2.122  16.242   3.586
  399   2HD1  ILE  40          2HD1      ILE  40  -3.683  15.928   2.830
  400   3HD1  ILE  40          3HD1      ILE  40  -2.223  15.189   2.177
  401    H    ASP  41           HN       ASP  41  -1.889  10.626   5.012
  402    HA   ASP  41           HA       ASP  41  -3.992   9.717   3.204
  403   1HB   ASP  41          2HB       ASP  41  -3.909   7.601   4.526
  404   2HB   ASP  41          1HB       ASP  41  -2.410   8.030   3.708
  405    H    ILE  42           HN       ILE  42  -5.862  10.536   3.562
  406    HA   ILE  42           HA       ILE  42  -6.717  11.540   6.115
  407    HB   ILE  42           HB       ILE  42  -8.502  11.110   3.726
  408   1HG1  ILE  42          2HG1      ILE  42  -6.408  12.183   2.948
  409   2HG1  ILE  42          1HG1      ILE  42  -7.807  13.239   2.799
  410   1HG2  ILE  42          1HG2      ILE  42  -9.637  13.104   4.560
  411   2HG2  ILE  42          2HG2      ILE  42  -8.458  13.233   5.864
  412   3HG2  ILE  42          3HG2      ILE  42  -9.550  11.851   5.799
  413   1HD1  ILE  42          1HD1      ILE  42  -5.711  13.355   4.955
  414   2HD1  ILE  42          2HD1      ILE  42  -7.128  14.397   4.848
  415   3HD1  ILE  42          3HD1      ILE  42  -5.887  14.468   3.597
  416    H    HIS  43           HN       HIS  43  -8.525  10.701   7.339
  417    HA   HIS  43           HA       HIS  43  -9.464   8.034   6.559
  418   1HB   HIS  43          2HB       HIS  43  -8.554   8.606   9.386
  419   2HB   HIS  43          1HB       HIS  43  -9.086   7.064   8.714
  420    HD1  HIS  43           1HD      HIS  43  -6.152   8.386   9.893
  421    HD2  HIS  43           2HD      HIS  43  -7.145   6.677   6.226
  422    HE1  HIS  43           1HE      HIS  43  -3.982   7.614   8.897
  423    HE2  HIS  43           2HE      HIS  43  -4.572   6.820   6.602
  424    H    ARG  44           HN       ARG  44 -11.384   7.365   7.788
  425    HA   ARG  44           HA       ARG  44 -13.145   9.612   8.205
  426   1HB   ARG  44          2HB       ARG  44 -13.866   7.548   6.999
  427   2HB   ARG  44          1HB       ARG  44 -13.715   6.653   8.505
  428   1HG   ARG  44          2HG       ARG  44 -15.451   8.048   9.509
  429   2HG   ARG  44          1HG       ARG  44 -15.597   8.950   7.998
  430   1HD   ARG  44          2HD       ARG  44 -16.203   6.836   6.851
  431   2HD   ARG  44          1HD       ARG  44 -16.167   6.016   8.412
  432    HE   ARG  44           HE       ARG  44 -17.887   8.204   8.633
  433   1HH1  ARG  44          1HH1      ARG  44 -17.715   5.123   6.964
  434   2HH1  ARG  44          2HH1      ARG  44 -19.447   4.968   6.809
  435   1HH2  ARG  44          1HH2      ARG  44 -20.150   7.987   8.465
  436   2HH2  ARG  44          2HH2      ARG  44 -20.825   6.603   7.670
  437    H    LYS  45           HN       LYS  45 -12.699   6.668  10.163
  438    HA   LYS  45           HA       LYS  45 -12.484   8.373  12.557
  439   1HB   LYS  45          2HB       LYS  45 -14.070   5.810  12.294
  440   2HB   LYS  45          1HB       LYS  45 -13.810   6.685  13.793
  441   1HG   LYS  45          2HG       LYS  45 -15.208   7.863  11.407
  442   2HG   LYS  45          1HG       LYS  45 -16.040   7.026  12.717
  443   1HD   LYS  45          2HD       LYS  45 -15.043   8.665  14.310
  444   2HD   LYS  45          1HD       LYS  45 -14.386   9.539  12.923
  445   1HE   LYS  45          2HE       LYS  45 -16.469  10.553  13.679
  446   2HE   LYS  45          1HE       LYS  45 -16.645   9.878  12.060
  447   1HZ   LYS  45          1HZ       LYS  45 -18.552   9.353  13.437
  448   2HZ   LYS  45          2HZ       LYS  45 -17.560   8.594  14.581
  449   3HZ   LYS  45          3HZ       LYS  45 -17.722   7.936  13.024
  450    H    GLU  46           HN       GLU  46 -12.340   4.923  11.723
  451    HA   GLU  46           HA       GLU  46 -10.074   4.616  13.561
  452   1HB   GLU  46          2HB       GLU  46 -10.715   2.203  13.476
  453   2HB   GLU  46          1HB       GLU  46 -11.993   3.257  14.073
  454   1HG   GLU  46          2HG       GLU  46 -12.929   3.257  11.736
  455   2HG   GLU  46          1HG       GLU  46 -11.773   1.981  11.362
  456    H    ILE  47           HN       ILE  47  -9.323   5.733  11.240
  457    HA   ILE  47           HA       ILE  47  -8.289   5.639   9.244
  458    HB   ILE  47           HB       ILE  47  -6.258   4.446   9.088
  459   1HG1  ILE  47          2HG1      ILE  47  -7.019   2.800  11.504
  460   2HG1  ILE  47          1HG1      ILE  47  -7.151   2.214   9.853
  461   1HG2  ILE  47          1HG2      ILE  47  -5.199   5.040  11.223
  462   2HG2  ILE  47          2HG2      ILE  47  -6.796   5.234  11.947
  463   3HG2  ILE  47          3HG2      ILE  47  -6.288   6.298  10.635
  464   1HD1  ILE  47          1HD1      ILE  47  -4.580   3.179  11.067
  465   2HD1  ILE  47          2HD1      ILE  47  -4.805   2.316   9.539
  466   3HD1  ILE  47          3HD1      ILE  47  -5.101   1.496  11.073
  467    H    TYR  48           HN       TYR  48  -9.347   5.196   7.505
  468    HA   TYR  48           HA       TYR  48 -10.516   2.597   7.131
  469   1HB   TYR  48          2HB       TYR  48 -11.699   3.601   5.251
  470   2HB   TYR  48          1HB       TYR  48 -11.818   4.601   6.691
  471    HD1  TYR  48           1HD      TYR  48  -8.927   4.559   4.349
  472    HD2  TYR  48           2HD      TYR  48 -12.371   6.634   5.719
  473    HE1  TYR  48           1HE      TYR  48  -8.283   6.505   3.004
  474    HE2  TYR  48           2HE      TYR  48 -11.728   8.595   4.389
  475    HH   TYR  48           HH       TYR  48  -9.244   8.453   2.023
  476    H    LEU  49           HN       LEU  49  -7.558   3.828   6.516
  477    HA   LEU  49           HA       LEU  49  -7.243   2.605   3.866
  478   1HB   LEU  49          2HB       LEU  49  -6.179   4.965   5.160
  479   2HB   LEU  49          1HB       LEU  49  -4.890   3.938   4.558
  480    HG   LEU  49           HG       LEU  49  -7.186   4.869   2.848
  481   1HD1  LEU  49          1HD1      LEU  49  -5.591   6.496   1.924
  482   2HD1  LEU  49          2HD1      LEU  49  -4.425   6.033   3.162
  483   3HD1  LEU  49          3HD1      LEU  49  -5.941   6.805   3.625
  484   1HD2  LEU  49          1HD2      LEU  49  -5.701   4.204   1.020
  485   2HD2  LEU  49          2HD2      LEU  49  -6.044   2.843   2.090
  486   3HD2  LEU  49          3HD2      LEU  49  -4.493   3.674   2.192
  487    H    THR  50           HN       THR  50  -4.921   3.163   6.461
  488    HA   THR  50           HA       THR  50  -3.540   1.786   7.599
  489    HB   THR  50           HB       THR  50  -5.454  -0.231   6.532
  490    HG1  THR  50           1HG      THR  50  -4.704   0.017   9.217
  491   1HG2  THR  50          1HG2      THR  50  -2.936  -0.914   8.049
  492   2HG2  THR  50          2HG2      THR  50  -3.298  -1.365   6.383
  493   3HG2  THR  50          3HG2      THR  50  -4.261  -2.029   7.704
  494    H    ILE  51           HN       ILE  51  -4.160   1.052   4.254
  495    HA   ILE  51           HA       ILE  51  -1.887  -0.468   3.672
  496    HB   ILE  51           HB       ILE  51  -2.955   1.402   1.578
  497   1HG1  ILE  51          2HG1      ILE  51  -4.422  -1.044   2.587
  498   2HG1  ILE  51          1HG1      ILE  51  -4.887   0.610   2.939
  499   1HG2  ILE  51          1HG2      ILE  51  -1.206  -0.213   1.020
  500   2HG2  ILE  51          2HG2      ILE  51  -2.708  -0.555   0.164
  501   3HG2  ILE  51          3HG2      ILE  51  -2.251  -1.530   1.560
  502   1HD1  ILE  51          1HD1      ILE  51  -6.238  -0.352   1.163
  503   2HD1  ILE  51          2HD1      ILE  51  -4.783  -0.627   0.206
  504   3HD1  ILE  51          3HD1      ILE  51  -5.293   1.019   0.583
  505    H    GLN  52           HN       GLN  52  -2.318   2.998   2.794
  506    HA   GLN  52           HA       GLN  52   0.559   3.221   2.601
  507   1HB   GLN  52          2HB       GLN  52   0.279   5.301   1.589
  508   2HB   GLN  52          1HB       GLN  52  -1.117   4.389   1.028
  509   1HG   GLN  52          2HG       GLN  52  -2.530   5.508   2.643
  510   2HG   GLN  52          1HG       GLN  52  -1.135   6.355   3.309
  511   1HE2  GLN  52          1HE2      GLN  52  -3.425   7.629   2.318
  512   2HE2  GLN  52          2HE2      GLN  52  -2.990   8.533   0.922
  513    H    GLU  53           HN       GLU  53  -1.532   3.297   5.096
  514    HA   GLU  53           HA       GLU  53  -0.284   5.437   6.596
  515   1HB   GLU  53          2HB       GLU  53  -2.717   4.490   6.821
  516   2HB   GLU  53          1HB       GLU  53  -1.968   3.209   7.762
  517   1HG   GLU  53          2HG       GLU  53  -1.885   6.150   8.406
  518   2HG   GLU  53          1HG       GLU  53  -2.932   4.956   9.162
  519    H    GLU  54           HN       GLU  54  -0.465   1.906   6.738
  520    HA   GLU  54           HA       GLU  54   1.699   1.430   8.428
  521   1HB   GLU  54          2HB       GLU  54   0.335  -0.118   6.239
  522   2HB   GLU  54          1HB       GLU  54   1.795  -0.764   7.008
  523   1HG   GLU  54          2HG       GLU  54   0.566  -0.376   9.224
  524   2HG   GLU  54          1HG       GLU  54  -0.881  -0.180   8.240
  525    H    ASN  55           HN       ASN  55   1.505   1.944   4.965
  526    HA   ASN  55           HA       ASN  55   4.387   1.750   4.668
  527   1HB   ASN  55          2HB       ASN  55   3.004   0.832   2.896
  528   2HB   ASN  55          1HB       ASN  55   2.179   2.370   2.700
  529   1HD2  ASN  55          1HD2      ASN  55   5.605   2.118   3.218
  530   2HD2  ASN  55          2HD2      ASN  55   6.090   2.602   1.623
  531    H    ASN  56           HN       ASN  56   2.888   4.103   2.710
  532    HA   ASN  56           HA       ASN  56   3.221   6.342   2.435
  533   1HB   ASN  56          2HB       ASN  56   2.337   6.359   4.835
  534   2HB   ASN  56          1HB       ASN  56   4.032   6.445   5.327
  535   1HD2  ASN  56          1HD2      ASN  56   1.886   8.362   5.749
  536   2HD2  ASN  56          2HD2      ASN  56   2.421   9.854   5.045
  537    H    ARG  57           HN       ARG  57   5.568   4.996   4.647
  538    HA   ARG  57           HA       ARG  57   7.762   6.430   3.323
  539   1HB   ARG  57          2HB       ARG  57   8.818   6.073   5.675
  540   2HB   ARG  57          1HB       ARG  57   7.588   7.320   5.478
  541   1HG   ARG  57          2HG       ARG  57   5.885   5.724   6.278
  542   2HG   ARG  57          1HG       ARG  57   7.159   4.540   6.557
  543   1HD   ARG  57          2HD       ARG  57   6.926   7.236   7.882
  544   2HD   ARG  57          1HD       ARG  57   6.518   5.677   8.604
  545    HE   ARG  57           HE       ARG  57   8.971   5.137   8.173
  546   1HH1  ARG  57          1HH1      ARG  57   7.804   8.371   8.891
  547   2HH1  ARG  57          2HH1      ARG  57   9.307   8.876   9.609
  548   1HH2  ARG  57          1HH2      ARG  57  10.924   5.814   9.109
  549   2HH2  ARG  57          2HH2      ARG  57  11.068   7.422   9.749
  550    H    ALA  58           HN       ALA  58   7.279   3.555   5.424
  551    HA   ALA  58           HA       ALA  58   9.216   2.132   3.729
  552   1HB   ALA  58          1HB       ALA  58  10.217   2.700   5.876
  553   2HB   ALA  58          2HB       ALA  58  10.012   0.957   5.709
  554   3HB   ALA  58          3HB       ALA  58   8.898   1.882   6.712
  555    H    ALA  59           HN       ALA  59   7.585   1.234   2.523
  556    HA   ALA  59           HA       ALA  59   5.487  -0.374   3.334
  557   1HB   ALA  59          1HB       ALA  59   5.977   0.284   1.004
  558   2HB   ALA  59          2HB       ALA  59   5.651  -1.443   1.168
  559   3HB   ALA  59          3HB       ALA  59   7.309  -0.871   0.978
  560    H    ALA  60           HN       ALA  60   5.237  -2.398   4.082
  561    HA   ALA  60           HA       ALA  60   7.329  -4.378   3.893
  562   1HB   ALA  60          1HB       ALA  60   6.389  -3.472   6.614
  563   2HB   ALA  60          2HB       ALA  60   7.987  -3.176   5.929
  564   3HB   ALA  60          3HB       ALA  60   7.472  -4.825   6.283
  565    H    LEU  61           HN       LEU  61   5.758  -5.456   2.649
  566    HA   LEU  61           HA       LEU  61   3.648  -6.752   4.243
  567   1HB   LEU  61          2HB       LEU  61   3.188  -4.784   2.288
  568   2HB   LEU  61          1HB       LEU  61   2.808  -6.305   1.506
  569    HG   LEU  61           HG       LEU  61   0.801  -5.342   2.435
  570   1HD1  LEU  61          1HD1      LEU  61   1.705  -7.702   4.076
  571   2HD1  LEU  61          2HD1      LEU  61   0.958  -7.767   2.479
  572   3HD1  LEU  61          3HD1      LEU  61   0.037  -7.170   3.861
  573   1HD2  LEU  61          1HD2      LEU  61   1.853  -3.968   4.166
  574   2HD2  LEU  61          2HD2      LEU  61   2.186  -5.420   5.109
  575   3HD2  LEU  61          3HD2      LEU  61   0.520  -4.929   4.806
  576    H    SER  62           HN       SER  62   2.620  -8.066   1.830
  577    HA   SER  62           HA       SER  62   2.961  -9.760   0.368
  578   1HB   SER  62          2HB       SER  62   4.774  -8.485  -0.620
  579   2HB   SER  62          1HB       SER  62   5.881  -9.012   0.645
  580    HG   SER  62           HG       SER  62   4.856 -10.427  -1.557
  581    H    SER  63           HN       SER  63   5.868 -10.119   2.392
  582    HA   SER  63           HA       SER  63   5.350 -12.925   2.660
  583   1HB   SER  63          2HB       SER  63   7.642 -12.001   2.384
  584   2HB   SER  63          1HB       SER  63   7.499 -11.253   3.972
  585    HG   SER  63           HG       SER  63   7.326 -14.043   3.427
  586    H    ASP  64           HN       ASP  64   4.526 -10.138   4.416
  587    HA   ASP  64           HA       ASP  64   3.816  -9.692   6.533
  588   1HB   ASP  64          2HB       ASP  64   2.050 -11.348   5.835
  589   2HB   ASP  64          1HB       ASP  64   3.008 -12.612   6.595
  590    H    VAL  65           HN       VAL  65   6.037  -9.402   7.037
  591    HA   VAL  65           HA       VAL  65   7.490 -11.593   8.231
  592    HB   VAL  65           HB       VAL  65   8.266  -8.669   8.012
  593   1HG1  VAL  65          1HG1      VAL  65  10.576  -9.529   8.263
  594   2HG1  VAL  65          2HG1      VAL  65   9.926 -11.142   8.554
  595   3HG1  VAL  65          3HG1      VAL  65   9.582  -9.834   9.685
  596   1HG2  VAL  65          1HG2      VAL  65   8.892 -10.975   6.167
  597   2HG2  VAL  65          2HG2      VAL  65   9.585  -9.359   6.052
  598   3HG2  VAL  65          3HG2      VAL  65   7.854  -9.597   5.809
  599    H    ILE  66           HN       ILE  66   7.842  -8.446   9.610
  600    HA   ILE  66           HA       ILE  66   6.344  -9.253  12.011
  601    HB   ILE  66           HB       ILE  66   8.542  -7.170  11.784
  602   1HG1  ILE  66          2HG1      ILE  66   9.410  -9.466  11.542
  603   2HG1  ILE  66          1HG1      ILE  66   9.931  -8.739  13.057
  604   1HG2  ILE  66          1HG2      ILE  66   8.452  -7.120  14.232
  605   2HG2  ILE  66          2HG2      ILE  66   7.090  -8.240  14.199
  606   3HG2  ILE  66          3HG2      ILE  66   6.921  -6.627  13.509
  607   1HD1  ILE  66          1HD1      ILE  66   9.297 -11.065  13.353
  608   2HD1  ILE  66          2HD1      ILE  66   7.684 -10.715  12.733
  609   3HD1  ILE  66          3HD1      ILE  66   8.221  -9.997  14.252
  610    H    SER  67           HN       SER  67   6.818  -6.999   9.489
  611    HA   SER  67           HA       SER  67   5.559  -5.434   8.529
  612   1HB   SER  67          2HB       SER  67   3.479  -6.339  10.498
  613   2HB   SER  67          1HB       SER  67   3.179  -5.369   9.058
  614    HG   SER  67           HG       SER  67   3.609  -8.077   9.323
  615    H    ALA  68           HN       ALA  68   4.376  -5.149  11.901
  616    HA   ALA  68           HA       ALA  68   5.042  -2.326  11.893
  617   1HB   ALA  68          1HB       ALA  68   3.944  -4.094  14.085
  618   2HB   ALA  68          2HB       ALA  68   3.002  -3.054  13.015
  619   3HB   ALA  68          3HB       ALA  68   4.121  -2.341  14.177
  620    H    LEU  69           HN       LEU  69   6.986  -1.615  12.334
  621    HA   LEU  69           HA       LEU  69   9.199  -1.590  12.878
  622   1HB   LEU  69          2HB       LEU  69   8.221  -2.945  15.390
  623   2HB   LEU  69          1HB       LEU  69   9.714  -2.043  15.205
  624    HG   LEU  69           HG       LEU  69   6.943  -0.863  14.966
  625   1HD1  LEU  69          1HD1      LEU  69   8.954  -0.716  17.211
  626   2HD1  LEU  69          2HD1      LEU  69   7.421  -1.585  17.244
  627   3HD1  LEU  69          3HD1      LEU  69   7.436   0.175  17.130
  628   1HD2  LEU  69          1HD2      LEU  69   8.134   1.287  15.055
  629   2HD2  LEU  69          2HD2      LEU  69   8.591   0.338  13.641
  630   3HD2  LEU  69          3HD2      LEU  69   9.674   0.427  15.029
  631    H    SER  70           HN       SER  70   9.464  -3.233  11.137
  632    HA   SER  70           HA       SER  70   9.724  -5.991  11.905
  633   1HB   SER  70          2HB       SER  70  10.479  -4.596   9.322
  634   2HB   SER  70          1HB       SER  70  10.434  -6.342   9.565
  635    HG   SER  70           HG       SER  70   8.247  -4.532   9.708
  636    H    SER  71           HN       SER  71  11.783  -3.243  11.689
  637    HA   SER  71           HA       SER  71  14.156  -4.921  12.048
  638   1HB   SER  71          2HB       SER  71  15.313  -2.614  11.760
  639   2HB   SER  71          1HB       SER  71  14.603  -3.386  10.339
  640    HG   SER  71           HG       SER  71  13.316  -1.741  10.158
  641    H    GLN  72           HN       GLN  72  12.177  -4.544  14.121
  642    HA   GLN  72           HA       GLN  72  12.918  -2.729  16.095
  643   1HB   GLN  72          2HB       GLN  72  11.962  -4.413  17.700
  644   2HB   GLN  72          1HB       GLN  72  10.899  -3.914  16.393
  645   1HG   GLN  72          2HG       GLN  72  11.425  -5.984  15.187
  646   2HG   GLN  72          1HG       GLN  72  12.457  -6.487  16.526
  647   1HE2  GLN  72          1HE2      GLN  72   9.195  -5.837  15.512
  648   2HE2  GLN  72          2HE2      GLN  72   8.411  -6.721  16.779
  649    H    LYS  73           HN       LYS  73  14.313  -2.722  17.737
  650    HA   LYS  73           HA       LYS  73  16.796  -3.961  17.338
  651   1HB   LYS  73          2HB       LYS  73  17.175  -2.973  19.740
  652   2HB   LYS  73          1HB       LYS  73  16.997  -1.922  18.348
  653   1HG   LYS  73          2HG       LYS  73  15.774  -1.173  20.388
  654   2HG   LYS  73          1HG       LYS  73  14.773  -1.340  18.947
  655   1HD   LYS  73          2HD       LYS  73  13.912  -3.445  19.732
  656   2HD   LYS  73          1HD       LYS  73  15.003  -3.416  21.122
  657   1HE   LYS  73          2HE       LYS  73  12.782  -1.450  20.573
  658   2HE   LYS  73          1HE       LYS  73  12.719  -2.774  21.736
  659   1HZ   LYS  73          1HZ       LYS  73  14.391  -0.332  21.835
  660   2HZ   LYS  73          2HZ       LYS  73  14.719  -1.690  22.798
  661   3HZ   LYS  73          3HZ       LYS  73  13.244  -0.870  22.966
  662    H    LYS  74           HN       LYS  74  17.892  -5.509  18.509
  663    HA   LYS  74           HA       LYS  74  16.341  -7.055  20.466
  664   1HB   LYS  74          2HB       LYS  74  18.159  -8.215  18.339
  665   2HB   LYS  74          1HB       LYS  74  17.359  -9.131  19.605
  666   1HG   LYS  74          2HG       LYS  74  15.172  -8.402  18.658
  667   2HG   LYS  74          1HG       LYS  74  16.057  -7.669  17.320
  668   1HD   LYS  74          2HD       LYS  74  16.062 -10.591  18.082
  669   2HD   LYS  74          1HD       LYS  74  15.240  -9.876  16.695
  670   1HE   LYS  74          2HE       LYS  74  18.220  -9.879  17.159
  671   2HE   LYS  74          1HE       LYS  74  17.357 -10.962  16.073
  672   1HZ   LYS  74          1HZ       LYS  74  17.450  -8.000  15.821
  673   2HZ   LYS  74          2HZ       LYS  74  16.676  -9.069  14.753
  674   3HZ   LYS  74          3HZ       LYS  74  18.365  -9.094  14.902
  Start of MODEL   14
    1    H    HIS  -9           H        HIS  -9  11.232   0.936 -12.054
    2    HA   HIS  -9           HA       HIS  -9  13.276  -0.027 -12.772
    3   1HB   HIS  -9          2HB       HIS  -9  11.783  -0.253 -15.336
    4   2HB   HIS  -9          1HB       HIS  -9  13.501   0.111 -15.440
    5    HD1  HIS  -9           1HD      HIS  -9  14.832  -1.925 -15.755
    6    HD2  HIS  -9           2HD      HIS  -9  11.495  -2.626 -13.375
    7    HE1  HIS  -9           1HE      HIS  -9  14.934  -4.361 -15.146
    8    HE2  HIS  -9           2HE      HIS  -9  13.039  -4.696 -13.520
    9    H    SER  -8           HN       SER  -8  14.824   1.203 -14.537
   10    HA   SER  -8           HA       SER  -8  15.906   3.131 -14.988
   11   1HB   SER  -8          2HB       SER  -8  13.824   3.840 -16.145
   12   2HB   SER  -8          1HB       SER  -8  13.225   4.507 -14.628
   13    HG   SER  -8           HG       SER  -8  14.930   5.596 -16.433
   14    H    SER  -7           HN       SER  -7  17.181   2.995 -13.195
   15    HA   SER  -7           HA       SER  -7  16.246   4.043 -10.666
   16   1HB   SER  -7          2HB       SER  -7  17.888   2.052 -11.065
   17   2HB   SER  -7          1HB       SER  -7  19.105   3.313 -11.257
   18    HG   SER  -7           HG       SER  -7  17.574   2.633  -8.987
   19    H    GLY  -6           HN       GLY  -6  17.523   5.733  -9.526
   20   1HA   GLY  -6          2HA       GLY  -6  18.465   7.868  -9.510
   21   2HA   GLY  -6          1HA       GLY  -6  18.759   7.725 -11.240
   22    H    HIS  -5           HN       HIS  -5  15.719   6.744 -10.678
   23    HA   HIS  -5           HA       HIS  -5  14.548   9.289 -11.495
   24   1HB   HIS  -5          2HB       HIS  -5  13.967   7.509 -12.956
   25   2HB   HIS  -5          1HB       HIS  -5  13.638   6.416 -11.619
   26    HD1  HIS  -5           1HD      HIS  -5  12.195   9.644 -13.050
   27    HD2  HIS  -5           2HD      HIS  -5  10.999   6.172 -11.100
   28    HE1  HIS  -5           1HE      HIS  -5   9.688   9.766 -12.920
   29    HE2  HIS  -5           2HE      HIS  -5   9.008   7.765 -11.540
   30    H    ILE  -4           HN       ILE  -4  13.518  10.499 -10.060
   31    HA   ILE  -4           HA       ILE  -4  13.153   9.605  -7.364
   32    HB   ILE  -4           HB       ILE  -4  13.775  11.898  -7.650
   33   1HG1  ILE  -4          2HG1      ILE  -4  11.823  13.111  -6.592
   34   2HG1  ILE  -4          1HG1      ILE  -4  10.875  11.642  -6.825
   35   1HG2  ILE  -4          1HG2      ILE  -4  11.313  12.207  -9.363
   36   2HG2  ILE  -4          2HG2      ILE  -4  12.985  12.228  -9.922
   37   3HG2  ILE  -4          3HG2      ILE  -4  12.391  13.514  -8.872
   38   1HD1  ILE  -4          1HD1      ILE  -4  12.415  10.415  -5.391
   39   2HD1  ILE  -4          2HD1      ILE  -4  11.736  11.810  -4.553
   40   3HD1  ILE  -4          3HD1      ILE  -4  13.386  11.871  -5.172
   41    H    GLU  -3           HN       GLU  -3  11.359   8.841  -6.426
   42    HA   GLU  -3           HA       GLU  -3   8.819   9.379  -7.783
   43   1HB   GLU  -3          2HB       GLU  -3   9.791   6.826  -6.576
   44   2HB   GLU  -3          1HB       GLU  -3   8.069   7.191  -6.561
   45   1HG   GLU  -3          2HG       GLU  -3   9.859   6.960  -8.966
   46   2HG   GLU  -3          1HG       GLU  -3   8.563   5.864  -8.491
   47    H    GLY  -2           HN       GLY  -2   8.260  11.123  -6.626
   48   1HA   GLY  -2          2HA       GLY  -2   7.951  10.972  -3.743
   49   2HA   GLY  -2          1HA       GLY  -2   7.384  12.269  -4.800
   50    H    ARG  -1           HN       ARG  -1   6.718   9.002  -5.570
   51    HA   ARG  -1           HA       ARG  -1   4.083   9.090  -4.284
   52   1HB   ARG  -1          2HB       ARG  -1   2.988   8.270  -6.191
   53   2HB   ARG  -1          1HB       ARG  -1   4.100   9.448  -6.871
   54   1HG   ARG  -1          2HG       ARG  -1   5.681   7.558  -7.318
   55   2HG   ARG  -1          1HG       ARG  -1   4.386   6.456  -6.850
   56   1HD   ARG  -1          2HD       ARG  -1   4.186   6.549  -9.160
   57   2HD   ARG  -1          1HD       ARG  -1   2.988   7.721  -8.611
   58    HE   ARG  -1           HE       ARG  -1   5.600   8.846  -9.174
   59   1HH1  ARG  -1          1HH1      ARG  -1   2.441   8.003 -10.478
   60   2HH1  ARG  -1          2HH1      ARG  -1   2.576   9.082 -11.834
   61   1HH2  ARG  -1          1HH2      ARG  -1   5.776  10.254 -10.968
   62   2HH2  ARG  -1          2HH2      ARG  -1   4.472  10.358 -12.125
   63    H    HIS   0           HN       HIS   0   3.309   6.878  -3.778
   64    HA   HIS   0           HA       HIS   0   5.393   4.847  -4.022
   65   1HB   HIS   0          2HB       HIS   0   4.972   4.036  -1.704
   66   2HB   HIS   0          1HB       HIS   0   5.756   5.603  -1.788
   67    HD1  HIS   0           1HD      HIS   0   4.970   6.003   0.660
   68    HD2  HIS   0           2HD      HIS   0   1.886   5.622  -2.088
   69    HE1  HIS   0           1HE      HIS   0   2.931   6.903   1.806
   70    HE2  HIS   0           2HE      HIS   0   1.098   6.770   0.093
   71    H    MET   1           HN       MET   1   4.700   2.910  -4.604
   72    HA   MET   1           HA       MET   1   1.808   2.426  -4.635
   73   1HB   MET   1          2HB       MET   1   2.903   2.057  -6.753
   74   2HB   MET   1          1HB       MET   1   4.133   1.057  -5.999
   75   1HG   MET   1          2HG       MET   1   2.358  -0.589  -5.430
   76   2HG   MET   1          1HG       MET   1   1.228   0.385  -6.373
   77   1HE   MET   1          1HE       MET   1   1.914  -2.765  -6.884
   78   2HE   MET   1          2HE       MET   1   1.909  -2.765  -8.648
   79   3HE   MET   1          3HE       MET   1   0.689  -1.850  -7.759
   80    H    LEU   2           HN       LEU   2   1.180   1.658  -2.680
   81    HA   LEU   2           HA       LEU   2   2.884  -0.374  -1.408
   82   1HB   LEU   2          2HB       LEU   2   2.041   1.737  -0.120
   83   2HB   LEU   2          1HB       LEU   2   0.495   0.908  -0.091
   84    HG   LEU   2           HG       LEU   2   1.907   0.652   1.984
   85   1HD1  LEU   2          1HD1      LEU   2   1.491  -1.751   2.251
   86   2HD1  LEU   2          2HD1      LEU   2   1.174  -1.878   0.521
   87   3HD1  LEU   2          3HD1      LEU   2   0.108  -0.916   1.546
   88   1HD2  LEU   2          1HD2      LEU   2   4.056   0.447   0.794
   89   2HD2  LEU   2          2HD2      LEU   2   3.552  -1.144   0.218
   90   3HD2  LEU   2          3HD2      LEU   2   3.770  -0.860   1.944
   91    H    VAL   3           HN       VAL   3   2.316  -2.407  -1.566
   92    HA   VAL   3           HA       VAL   3  -0.042  -3.054  -3.037
   93    HB   VAL   3           HB       VAL   3   0.914  -5.394  -2.839
   94   1HG1  VAL   3          1HG1      VAL   3   2.600  -3.243  -4.101
   95   2HG1  VAL   3          2HG1      VAL   3   1.168  -3.985  -4.816
   96   3HG1  VAL   3          3HG1      VAL   3   2.616  -4.954  -4.533
   97   1HG2  VAL   3          1HG2      VAL   3   2.283  -4.995  -0.837
   98   2HG2  VAL   3          2HG2      VAL   3   3.296  -3.892  -1.769
   99   3HG2  VAL   3          3HG2      VAL   3   3.239  -5.602  -2.187
  100    H    LEU   4           HN       LEU   4  -1.814  -3.959  -2.378
  101    HA   LEU   4           HA       LEU   4  -2.151  -4.773   0.435
  102   1HB   LEU   4          2HB       LEU   4  -3.621  -3.016  -1.053
  103   2HB   LEU   4          1HB       LEU   4  -4.492  -4.501  -1.342
  104    HG   LEU   4           HG       LEU   4  -4.143  -2.983   1.223
  105   1HD1  LEU   4          1HD1      LEU   4  -6.511  -4.226  -0.185
  106   2HD1  LEU   4          2HD1      LEU   4  -6.081  -2.516  -0.167
  107   3HD1  LEU   4          3HD1      LEU   4  -6.572  -3.317   1.325
  108   1HD2  LEU   4          1HD2      LEU   4  -4.958  -5.888   1.005
  109   2HD2  LEU   4          2HD2      LEU   4  -5.070  -4.889   2.455
  110   3HD2  LEU   4          3HD2      LEU   4  -3.492  -5.274   1.767
  111    H    SER   5           HN       SER   5  -2.689  -6.952   0.770
  112    HA   SER   5           HA       SER   5  -2.431  -8.595  -1.597
  113   1HB   SER   5          2HB       SER   5  -2.658  -9.480   1.285
  114   2HB   SER   5          1HB       SER   5  -2.092 -10.444  -0.078
  115    HG   SER   5           HG       SER   5  -0.712  -8.747   1.498
  116    H    ARG   6           HN       ARG   6  -4.257  -8.925  -2.733
  117    HA   ARG   6           HA       ARG   6  -6.585  -9.987  -1.327
  118   1HB   ARG   6          2HB       ARG   6  -6.834  -7.455  -1.544
  119   2HB   ARG   6          1HB       ARG   6  -6.882  -7.696  -3.284
  120   1HG   ARG   6          2HG       ARG   6  -9.101  -7.761  -2.954
  121   2HG   ARG   6          1HG       ARG   6  -8.789  -9.438  -2.503
  122   1HD   ARG   6          2HD       ARG   6  -9.056  -7.075  -0.646
  123   2HD   ARG   6          1HD       ARG   6 -10.185  -8.414  -0.830
  124    HE   ARG   6           HE       ARG   6  -8.168  -9.806  -0.029
  125   1HH1  ARG   6          1HH1      ARG   6  -8.975  -6.572   1.033
  126   2HH1  ARG   6          2HH1      ARG   6  -8.232  -6.750   2.589
  127   1HH2  ARG   6          1HH2      ARG   6  -7.186 -10.049   2.049
  128   2HH2  ARG   6          2HH2      ARG   6  -7.217  -8.708   3.164
  129    H    LYS   7           HN       LYS   7  -7.148 -11.764  -2.391
  130    HA   LYS   7           HA       LYS   7  -6.092 -12.104  -5.104
  131   1HB   LYS   7          2HB       LYS   7  -6.833 -14.043  -2.927
  132   2HB   LYS   7          1HB       LYS   7  -6.636 -14.578  -4.589
  133   1HG   LYS   7          2HG       LYS   7  -4.490 -14.849  -4.118
  134   2HG   LYS   7          1HG       LYS   7  -4.351 -13.098  -4.101
  135   1HD   LYS   7          2HD       LYS   7  -5.107 -14.693  -1.668
  136   2HD   LYS   7          1HD       LYS   7  -3.433 -14.348  -2.096
  137   1HE   LYS   7          2HE       LYS   7  -3.869 -11.957  -1.980
  138   2HE   LYS   7          1HE       LYS   7  -5.569 -12.283  -1.626
  139   1HZ   LYS   7          1HZ       LYS   7  -4.395 -11.804   0.411
  140   2HZ   LYS   7          2HZ       LYS   7  -3.246 -13.006   0.084
  141   3HZ   LYS   7          3HZ       LYS   7  -4.851 -13.438   0.413
  142    H    ILE   8           HN       ILE   8  -8.408 -10.585  -4.763
  143    HA   ILE   8           HA       ILE   8 -10.375 -12.293  -6.145
  144    HB   ILE   8           HB       ILE   8 -11.073  -9.776  -4.618
  145   1HG1  ILE   8          2HG1      ILE   8 -11.156 -12.645  -3.646
  146   2HG1  ILE   8          1HG1      ILE   8 -10.100 -11.376  -3.039
  147   1HG2  ILE   8          1HG2      ILE   8 -13.345 -10.728  -4.667
  148   2HG2  ILE   8          2HG2      ILE   8 -12.738 -12.096  -5.600
  149   3HG2  ILE   8          3HG2      ILE   8 -12.698 -10.474  -6.290
  150   1HD1  ILE   8          1HD1      ILE   8 -11.923 -11.736  -1.511
  151   2HD1  ILE   8          2HD1      ILE   8 -13.097 -11.476  -2.801
  152   3HD1  ILE   8          3HD1      ILE   8 -12.078 -10.144  -2.255
  153    H    ASN   9           HN       ASN   9  -8.065 -10.099  -6.586
  154    HA   ASN   9           HA       ASN   9  -7.626  -8.245  -7.835
  155   1HB   ASN   9          2HB       ASN   9  -8.010  -8.568 -10.239
  156   2HB   ASN   9          1HB       ASN   9  -7.383 -10.018  -9.480
  157   1HD2  ASN   9          1HD2      ASN   9  -8.623 -11.855  -9.436
  158   2HD2  ASN   9          2HD2      ASN   9 -10.106 -12.009 -10.320
  159    H    GLU  10           HN       GLU  10  -9.941  -7.891  -6.279
  160    HA   GLU  10           HA       GLU  10 -11.816  -6.410  -7.896
  161   1HB   GLU  10          2HB       GLU  10 -12.952  -5.943  -5.787
  162   2HB   GLU  10          1HB       GLU  10 -12.583  -7.657  -5.914
  163   1HG   GLU  10          2HG       GLU  10 -10.726  -7.425  -4.401
  164   2HG   GLU  10          1HG       GLU  10 -10.938  -5.675  -4.349
  165    H    ALA  11           HN       ALA  11 -12.350  -4.169  -6.519
  166    HA   ALA  11           HA       ALA  11  -9.817  -2.673  -6.700
  167   1HB   ALA  11          1HB       ALA  11 -11.183  -0.715  -7.241
  168   2HB   ALA  11          2HB       ALA  11 -12.647  -1.688  -7.093
  169   3HB   ALA  11          3HB       ALA  11 -11.484  -2.032  -8.376
  170    H    ILE  12           HN       ILE  12  -9.390  -1.053  -5.120
  171    HA   ILE  12           HA       ILE  12 -10.873  -1.513  -2.624
  172    HB   ILE  12           HB       ILE  12  -8.109  -0.337  -2.918
  173   1HG1  ILE  12          2HG1      ILE  12  -8.085  -2.664  -3.633
  174   2HG1  ILE  12          1HG1      ILE  12  -7.306  -2.512  -2.061
  175   1HG2  ILE  12          1HG2      ILE  12  -9.269   0.365  -0.896
  176   2HG2  ILE  12          2HG2      ILE  12  -7.945  -0.735  -0.511
  177   3HG2  ILE  12          3HG2      ILE  12  -9.609  -1.319  -0.495
  178   1HD1  ILE  12          1HD1      ILE  12 -10.102  -3.516  -2.564
  179   2HD1  ILE  12          2HD1      ILE  12  -9.349  -3.331  -0.981
  180   3HD1  ILE  12          3HD1      ILE  12  -8.695  -4.491  -2.137
  181    H    GLN  13           HN       GLN  13 -12.299  -0.033  -2.167
  182    HA   GLN  13           HA       GLN  13 -11.763   2.780  -2.895
  183   1HB   GLN  13          2HB       GLN  13 -13.659   1.861  -4.116
  184   2HB   GLN  13          1HB       GLN  13 -14.380   1.285  -2.625
  185   1HG   GLN  13          2HG       GLN  13 -15.522   3.257  -3.411
  186   2HG   GLN  13          1HG       GLN  13 -14.699   3.598  -1.890
  187   1HE2  GLN  13          1HE2      GLN  13 -12.965   4.998  -1.874
  188   2HE2  GLN  13          2HE2      GLN  13 -12.584   6.035  -3.214
  189    H    ILE  14           HN       ILE  14 -10.853   3.547  -1.015
  190    HA   ILE  14           HA       ILE  14 -12.471   3.170   1.408
  191    HB   ILE  14           HB       ILE  14 -10.430   3.393   2.778
  192   1HG1  ILE  14          2HG1      ILE  14  -9.082   4.452   0.839
  193   2HG1  ILE  14          1HG1      ILE  14  -8.261   3.341   1.925
  194   1HG2  ILE  14          1HG2      ILE  14  -9.642   1.098   2.383
  195   2HG2  ILE  14          2HG2      ILE  14 -10.508   1.086   0.847
  196   3HG2  ILE  14          3HG2      ILE  14 -11.400   1.230   2.360
  197   1HD1  ILE  14          1HD1      ILE  14  -9.301   2.690  -0.823
  198   2HD1  ILE  14          2HD1      ILE  14  -8.504   1.559   0.268
  199   3HD1  ILE  14          3HD1      ILE  14  -7.617   2.943  -0.369
  200    H    GLY  15           HN       GLY  15 -13.487   4.939   1.944
  201   1HA   GLY  15          2HA       GLY  15 -13.815   7.042   2.759
  202   2HA   GLY  15          1HA       GLY  15 -12.082   7.107   3.014
  203    H    ALA  16           HN       ALA  16 -13.090   6.622  -0.212
  204    HA   ALA  16           HA       ALA  16 -13.085   7.886  -2.080
  205   1HB   ALA  16          1HB       ALA  16 -13.966  10.134  -1.994
  206   2HB   ALA  16          2HB       ALA  16 -13.736  10.182  -0.244
  207   3HB   ALA  16          3HB       ALA  16 -14.907   9.069  -0.950
  208    H    ASP  17           HN       ASP  17 -10.656   8.036   0.063
  209    HA   ASP  17           HA       ASP  17  -9.220  10.214  -1.265
  210   1HB   ASP  17          2HB       ASP  17  -8.940  10.079   1.163
  211   2HB   ASP  17          1HB       ASP  17  -8.340   8.430   1.030
  212    H    ILE  18           HN       ILE  18  -9.212   6.726  -0.966
  213    HA   ILE  18           HA       ILE  18  -7.274   6.617  -3.169
  214    HB   ILE  18           HB       ILE  18  -7.320   4.904  -0.681
  215   1HG1  ILE  18          2HG1      ILE  18  -6.120   7.041  -0.485
  216   2HG1  ILE  18          1HG1      ILE  18  -5.010   5.675  -0.412
  217   1HG2  ILE  18          1HG2      ILE  18  -5.718   4.501  -3.209
  218   2HG2  ILE  18          2HG2      ILE  18  -6.996   3.451  -2.598
  219   3HG2  ILE  18          3HG2      ILE  18  -5.485   3.614  -1.701
  220   1HD1  ILE  18          1HD1      ILE  18  -4.418   6.061  -2.766
  221   2HD1  ILE  18          2HD1      ILE  18  -4.073   7.457  -1.744
  222   3HD1  ILE  18          3HD1      ILE  18  -5.493   7.459  -2.790
  223    H    GLU  19           HN       GLU  19  -8.156   5.725  -4.879
  224    HA   GLU  19           HA       GLU  19  -9.676   3.249  -4.563
  225   1HB   GLU  19          2HB       GLU  19 -11.318   3.948  -6.267
  226   2HB   GLU  19          1HB       GLU  19 -11.394   4.961  -4.833
  227   1HG   GLU  19          2HG       GLU  19 -10.087   6.679  -6.006
  228   2HG   GLU  19          1HG       GLU  19 -10.072   5.666  -7.447
  229    H    VAL  20           HN       VAL  20  -8.533   1.758  -5.647
  230    HA   VAL  20           HA       VAL  20  -7.957   1.949  -8.387
  231    HB   VAL  20           HB       VAL  20  -6.265   3.594  -7.625
  232   1HG1  VAL  20          1HG1      VAL  20  -5.772   2.684  -5.436
  233   2HG1  VAL  20          2HG1      VAL  20  -4.294   2.847  -6.384
  234   3HG1  VAL  20          3HG1      VAL  20  -5.038   1.261  -6.172
  235   1HG2  VAL  20          1HG2      VAL  20  -5.149   1.047  -8.785
  236   2HG2  VAL  20          2HG2      VAL  20  -4.327   2.608  -8.798
  237   3HG2  VAL  20          3HG2      VAL  20  -5.844   2.404  -9.674
  238    H    LYS  21           HN       LYS  21  -7.183   0.019  -9.238
  239    HA   LYS  21           HA       LYS  21  -6.128  -1.972  -7.381
  240   1HB   LYS  21          2HB       LYS  21  -7.295  -3.585  -9.217
  241   2HB   LYS  21          1HB       LYS  21  -8.042  -3.140  -7.692
  242   1HG   LYS  21          2HG       LYS  21  -9.691  -2.873  -9.358
  243   2HG   LYS  21          1HG       LYS  21  -9.174  -1.253  -8.903
  244   1HD   LYS  21          2HD       LYS  21  -9.306  -1.180 -11.233
  245   2HD   LYS  21          1HD       LYS  21  -7.586  -1.405 -10.913
  246   1HE   LYS  21          2HE       LYS  21  -8.123  -2.895 -12.667
  247   2HE   LYS  21          1HE       LYS  21  -7.989  -3.886 -11.215
  248   1HZ   LYS  21          1HZ       LYS  21 -10.538  -2.890 -12.373
  249   2HZ   LYS  21          2HZ       LYS  21 -10.388  -3.909 -11.030
  250   3HZ   LYS  21          3HZ       LYS  21  -9.930  -4.462 -12.567
  251    H    VAL  22           HN       VAL  22  -4.027  -1.577  -7.997
  252    HA   VAL  22           HA       VAL  22  -3.444  -2.324 -10.782
  253    HB   VAL  22           HB       VAL  22  -1.107  -1.490 -10.345
  254   1HG1  VAL  22          1HG1      VAL  22  -1.688   0.855 -10.654
  255   2HG1  VAL  22          2HG1      VAL  22  -3.327   0.535 -10.087
  256   3HG1  VAL  22          3HG1      VAL  22  -2.757  -0.187 -11.593
  257   1HG2  VAL  22          1HG2      VAL  22  -0.800   0.118  -8.511
  258   2HG2  VAL  22          2HG2      VAL  22  -1.093  -1.521  -7.925
  259   3HG2  VAL  22          3HG2      VAL  22  -2.387  -0.322  -7.879
  260    H    ILE  23           HN       ILE  23  -3.059  -4.376 -11.026
  261    HA   ILE  23           HA       ILE  23  -2.543  -5.976  -8.672
  262    HB   ILE  23           HB       ILE  23  -3.247  -6.757 -11.497
  263   1HG1  ILE  23          2HG1      ILE  23  -4.953  -6.961  -9.022
  264   2HG1  ILE  23          1HG1      ILE  23  -4.942  -5.509 -10.024
  265   1HG2  ILE  23          1HG2      ILE  23  -2.979  -8.460  -9.029
  266   2HG2  ILE  23          2HG2      ILE  23  -1.999  -8.553 -10.493
  267   3HG2  ILE  23          3HG2      ILE  23  -3.706  -8.994 -10.545
  268   1HD1  ILE  23          1HD1      ILE  23  -5.678  -8.281 -10.950
  269   2HD1  ILE  23          2HD1      ILE  23  -5.711  -6.813 -11.926
  270   3HD1  ILE  23          3HD1      ILE  23  -6.810  -6.987 -10.558
  271    H    ALA  24           HN       ALA  24  -0.744  -7.013  -8.216
  272    HA   ALA  24           HA       ALA  24   1.392  -7.119 -10.238
  273   1HB   ALA  24          1HB       ALA  24   1.735  -6.480  -7.306
  274   2HB   ALA  24          2HB       ALA  24   1.897  -5.339  -8.640
  275   3HB   ALA  24          3HB       ALA  24   3.040  -6.672  -8.479
  276    H    VAL  25           HN       VAL  25   3.100  -8.754  -9.617
  277    HA   VAL  25           HA       VAL  25   1.736 -11.206  -8.829
  278    HB   VAL  25           HB       VAL  25   4.530 -10.856  -9.939
  279   1HG1  VAL  25          1HG1      VAL  25   4.271 -12.938  -8.715
  280   2HG1  VAL  25          2HG1      VAL  25   4.373 -13.257 -10.445
  281   3HG1  VAL  25          3HG1      VAL  25   2.811 -13.319  -9.627
  282   1HG2  VAL  25          1HG2      VAL  25   1.984 -11.627 -11.365
  283   2HG2  VAL  25          2HG2      VAL  25   3.596 -11.547 -12.079
  284   3HG2  VAL  25          3HG2      VAL  25   2.811 -10.076 -11.504
  285    H    GLU  26           HN       GLU  26   1.833 -11.914  -6.834
  286    HA   GLU  26           HA       GLU  26   3.995 -11.040  -5.060
  287   1HB   GLU  26          2HB       GLU  26   1.583 -10.716  -4.410
  288   2HB   GLU  26          1HB       GLU  26   1.411 -12.466  -4.399
  289   1HG   GLU  26          2HG       GLU  26   1.656 -11.668  -2.160
  290   2HG   GLU  26          1HG       GLU  26   3.079 -12.604  -2.607
  291    H    GLY  27           HN       GLY  27   4.031 -13.169  -7.151
  292   1HA   GLY  27          2HA       GLY  27   5.215 -15.160  -7.361
  293   2HA   GLY  27          1HA       GLY  27   5.311 -15.248  -5.604
  294    H    ASP  28           HN       ASP  28   3.508 -16.044  -4.433
  295    HA   ASP  28           HA       ASP  28   1.733 -17.733  -6.069
  296   1HB   ASP  28          2HB       ASP  28   2.781 -18.165  -3.267
  297   2HB   ASP  28          1HB       ASP  28   1.511 -19.147  -3.990
  298    H    GLN  29           HN       GLN  29   1.264 -15.010  -5.481
  299    HA   GLN  29           HA       GLN  29  -1.355 -15.225  -4.283
  300   1HB   GLN  29          2HB       GLN  29  -0.006 -14.811  -2.310
  301   2HB   GLN  29          1HB       GLN  29   0.818 -13.485  -3.117
  302   1HG   GLN  29          2HG       GLN  29  -1.074 -12.103  -3.021
  303   2HG   GLN  29          1HG       GLN  29  -2.129 -13.446  -2.584
  304   1HE2  GLN  29          1HE2      GLN  29   0.385 -11.294  -1.459
  305   2HE2  GLN  29          2HE2      GLN  29   0.099 -11.538   0.228
  306    H    VAL  30           HN       VAL  30  -2.720 -13.524  -4.906
  307    HA   VAL  30           HA       VAL  30  -1.579 -11.686  -6.887
  308    HB   VAL  30           HB       VAL  30  -4.498 -12.419  -6.508
  309   1HG1  VAL  30          1HG1      VAL  30  -4.166 -10.205  -7.484
  310   2HG1  VAL  30          2HG1      VAL  30  -4.873 -11.330  -8.643
  311   3HG1  VAL  30          3HG1      VAL  30  -3.165 -10.913  -8.753
  312   1HG2  VAL  30          1HG2      VAL  30  -3.274 -14.357  -7.296
  313   2HG2  VAL  30          2HG2      VAL  30  -2.552 -13.403  -8.592
  314   3HG2  VAL  30          3HG2      VAL  30  -4.289 -13.712  -8.584
  315    H    LYS  31           HN       LYS  31  -1.409  -9.622  -6.315
  316    HA   LYS  31           HA       LYS  31  -3.300  -8.600  -4.347
  317   1HB   LYS  31          2HB       LYS  31  -1.637  -7.706  -2.940
  318   2HB   LYS  31          1HB       LYS  31  -1.155  -9.369  -3.264
  319   1HG   LYS  31          2HG       LYS  31   0.361  -8.448  -5.057
  320   2HG   LYS  31          1HG       LYS  31  -0.007  -6.840  -4.423
  321   1HD   LYS  31          2HD       LYS  31   1.392  -9.119  -3.042
  322   2HD   LYS  31          1HD       LYS  31   2.014  -7.506  -3.390
  323   1HE   LYS  31          2HE       LYS  31   0.380  -6.556  -1.817
  324   2HE   LYS  31          1HE       LYS  31  -0.202  -8.181  -1.457
  325   1HZ   LYS  31          1HZ       LYS  31   1.299  -7.661   0.243
  326   2HZ   LYS  31          2HZ       LYS  31   2.438  -7.013  -0.820
  327   3HZ   LYS  31          3HZ       LYS  31   2.175  -8.684  -0.792
  328    H    LEU  32           HN       LEU  32  -3.729  -6.404  -4.478
  329    HA   LEU  32           HA       LEU  32  -2.744  -5.045  -6.890
  330   1HB   LEU  32          2HB       LEU  32  -4.625  -3.518  -6.596
  331   2HB   LEU  32          1HB       LEU  32  -5.184  -5.169  -6.730
  332    HG   LEU  32           HG       LEU  32  -4.981  -4.903  -4.026
  333   1HD1  LEU  32          1HD1      LEU  32  -5.973  -2.756  -3.419
  334   2HD1  LEU  32          2HD1      LEU  32  -5.852  -2.224  -5.095
  335   3HD1  LEU  32          3HD1      LEU  32  -4.388  -2.552  -4.166
  336   1HD2  LEU  32          1HD2      LEU  32  -7.396  -4.724  -4.030
  337   2HD2  LEU  32          2HD2      LEU  32  -6.871  -5.811  -5.316
  338   3HD2  LEU  32          3HD2      LEU  32  -7.375  -4.166  -5.703
  339    H    GLY  33           HN       GLY  33  -2.403  -2.606  -6.555
  340   1HA   GLY  33          2HA       GLY  33  -1.360  -2.140  -3.828
  341   2HA   GLY  33          1HA       GLY  33  -0.454  -1.655  -5.257
  342    H    ILE  34           HN       ILE  34  -1.552  -0.039  -2.995
  343    HA   ILE  34           HA       ILE  34  -3.207   1.755  -4.596
  344    HB   ILE  34           HB       ILE  34  -3.690   3.053  -2.687
  345   1HG1  ILE  34          2HG1      ILE  34  -2.019   1.452  -0.802
  346   2HG1  ILE  34          1HG1      ILE  34  -1.213   2.673  -1.784
  347   1HG2  ILE  34          1HG2      ILE  34  -4.946   0.998  -2.837
  348   2HG2  ILE  34          2HG2      ILE  34  -4.676   1.419  -1.146
  349   3HG2  ILE  34          3HG2      ILE  34  -3.717   0.147  -1.903
  350   1HD1  ILE  34          1HD1      ILE  34  -1.833   3.567   0.376
  351   2HD1  ILE  34          2HD1      ILE  34  -3.519   3.137   0.089
  352   3HD1  ILE  34          3HD1      ILE  34  -2.741   4.367  -0.907
  353    H    ASP  35           HN       ASP  35  -2.245   3.353  -5.735
  354    HA   ASP  35           HA       ASP  35   0.451   4.132  -4.882
  355   1HB   ASP  35          2HB       ASP  35   0.897   4.879  -7.124
  356   2HB   ASP  35          1HB       ASP  35   0.242   3.252  -7.209
  357    H    ALA  36           HN       ALA  36   0.777   6.024  -4.041
  358    HA   ALA  36           HA       ALA  36  -1.166   8.175  -4.484
  359   1HB   ALA  36          1HB       ALA  36  -1.237   8.677  -2.097
  360   2HB   ALA  36          2HB       ALA  36  -0.200   7.290  -1.766
  361   3HB   ALA  36          3HB       ALA  36  -1.821   7.043  -2.416
  362    HA   PRO  37           HA       PRO  37   2.508  10.523  -4.996
  363   1HB   PRO  37          2HB       PRO  37   1.508  13.024  -4.756
  364   2HB   PRO  37          1HB       PRO  37   1.185  11.994  -6.155
  365   1HG   PRO  37          2HG       PRO  37  -0.534  12.577  -3.783
  366   2HG   PRO  37          1HG       PRO  37  -0.991  12.431  -5.489
  367   1HD   PRO  37          2HD       PRO  37  -1.350  10.449  -3.642
  368   2HD   PRO  37          1HD       PRO  37  -1.133  10.147  -5.378
  369    H    LYS  38           HN       LYS  38   1.964   9.580  -2.250
  370    HA   LYS  38           HA       LYS  38   2.987   9.736  -0.246
  371   1HB   LYS  38          2HB       LYS  38   4.594  11.814  -1.712
  372   2HB   LYS  38          1HB       LYS  38   4.957  11.289  -0.069
  373   1HG   LYS  38          2HG       LYS  38   4.745   9.393  -2.390
  374   2HG   LYS  38          1HG       LYS  38   6.259  10.149  -1.886
  375   1HD   LYS  38          2HD       LYS  38   4.601   8.759   0.165
  376   2HD   LYS  38          1HD       LYS  38   5.535   7.783  -0.980
  377   1HE   LYS  38          2HE       LYS  38   6.669   9.990   0.726
  378   2HE   LYS  38          1HE       LYS  38   6.792   8.268   1.093
  379   1HZ   LYS  38          1HZ       LYS  38   8.009   9.758  -1.157
  380   2HZ   LYS  38          2HZ       LYS  38   7.939   8.065  -1.120
  381   3HZ   LYS  38          3HZ       LYS  38   8.799   8.906   0.073
  382    H    HIS  39           HN       HIS  39   0.744  11.621  -1.105
  383    HA   HIS  39           HA       HIS  39   0.699  13.794   0.652
  384   1HB   HIS  39          2HB       HIS  39  -1.704  13.721   0.436
  385   2HB   HIS  39          1HB       HIS  39  -1.033  13.235  -1.117
  386    HD1  HIS  39           1HD      HIS  39  -0.449  10.297   0.414
  387    HD2  HIS  39           2HD      HIS  39  -4.046  12.201  -0.391
  388    HE1  HIS  39           1HE      HIS  39  -2.158   8.511   0.528
  389    HE2  HIS  39           2HE      HIS  39  -4.385   9.704   0.246
  390    H    ILE  40           HN       ILE  40  -0.885  13.759   2.618
  391    HA   ILE  40           HA       ILE  40  -0.175  11.682   4.471
  392    HB   ILE  40           HB       ILE  40  -1.535  12.817   6.084
  393   1HG1  ILE  40          2HG1      ILE  40  -3.403  13.215   4.368
  394   2HG1  ILE  40          1HG1      ILE  40  -3.188  14.436   5.628
  395   1HG2  ILE  40          1HG2      ILE  40  -0.115  14.845   4.368
  396   2HG2  ILE  40          2HG2      ILE  40   0.590  13.881   5.667
  397   3HG2  ILE  40          3HG2      ILE  40  -0.626  15.104   6.035
  398   1HD1  ILE  40          1HD1      ILE  40  -2.340  14.597   2.744
  399   2HD1  ILE  40          2HD1      ILE  40  -1.906  15.790   3.966
  400   3HD1  ILE  40          3HD1      ILE  40  -3.600  15.530   3.551
  401    H    ASP  41           HN       ASP  41  -1.725  10.159   5.320
  402    HA   ASP  41           HA       ASP  41  -3.774   9.605   3.327
  403   1HB   ASP  41          2HB       ASP  41  -3.895   7.344   4.493
  404   2HB   ASP  41          1HB       ASP  41  -2.440   7.735   3.571
  405    H    ILE  42           HN       ILE  42  -5.744  10.051   3.634
  406    HA   ILE  42           HA       ILE  42  -6.623  11.196   6.116
  407    HB   ILE  42           HB       ILE  42  -8.347  10.592   3.718
  408   1HG1  ILE  42          2HG1      ILE  42  -6.303  11.730   2.962
  409   2HG1  ILE  42          1HG1      ILE  42  -7.726  12.754   2.784
  410   1HG2  ILE  42          1HG2      ILE  42  -8.474  12.789   5.780
  411   2HG2  ILE  42          2HG2      ILE  42  -9.481  11.342   5.757
  412   3HG2  ILE  42          3HG2      ILE  42  -9.616  12.530   4.460
  413   1HD1  ILE  42          1HD1      ILE  42  -5.841  14.036   3.602
  414   2HD1  ILE  42          2HD1      ILE  42  -5.662  12.936   4.968
  415   3HD1  ILE  42          3HD1      ILE  42  -7.101  13.946   4.835
  416    H    HIS  43           HN       HIS  43  -8.272  10.393   7.438
  417    HA   HIS  43           HA       HIS  43  -9.323   7.743   6.801
  418   1HB   HIS  43          2HB       HIS  43  -8.356   8.348   9.595
  419   2HB   HIS  43          1HB       HIS  43  -8.839   6.793   8.910
  420    HD1  HIS  43           1HD      HIS  43  -5.913   8.437   9.947
  421    HD2  HIS  43           2HD      HIS  43  -6.906   6.292   6.521
  422    HE1  HIS  43           1HE      HIS  43  -3.726   7.693   8.938
  423    HE2  HIS  43           2HE      HIS  43  -4.342   6.599   6.786
  424    H    ARG  44           HN       ARG  44 -11.149   7.216   8.420
  425    HA   ARG  44           HA       ARG  44 -12.815   9.626   8.323
  426   1HB   ARG  44          2HB       ARG  44 -13.499   7.407   7.253
  427   2HB   ARG  44          1HB       ARG  44 -13.777   6.824   8.888
  428   1HG   ARG  44          2HG       ARG  44 -15.827   7.622   7.771
  429   2HG   ARG  44          1HG       ARG  44 -15.465   8.496   9.261
  430   1HD   ARG  44          2HD       ARG  44 -16.174  10.016   7.478
  431   2HD   ARG  44          1HD       ARG  44 -14.512  10.329   7.971
  432    HE   ARG  44           HE       ARG  44 -15.020   8.663   5.602
  433   1HH1  ARG  44          1HH1      ARG  44 -13.755  11.602   7.038
  434   2HH1  ARG  44          2HH1      ARG  44 -12.985  12.139   5.574
  435   1HH2  ARG  44          1HH2      ARG  44 -13.998   9.369   3.677
  436   2HH2  ARG  44          2HH2      ARG  44 -13.126  10.871   3.660
  437    H    LYS  45           HN       LYS  45 -12.621   6.852  10.537
  438    HA   LYS  45           HA       LYS  45 -12.364   8.752  12.779
  439   1HB   LYS  45          2HB       LYS  45 -14.661   7.657  12.618
  440   2HB   LYS  45          1HB       LYS  45 -13.865   6.119  12.896
  441   1HG   LYS  45          2HG       LYS  45 -13.651   8.413  14.826
  442   2HG   LYS  45          1HG       LYS  45 -14.964   7.237  14.887
  443   1HD   LYS  45          2HD       LYS  45 -13.296   5.435  15.123
  444   2HD   LYS  45          1HD       LYS  45 -12.015   6.649  15.141
  445   1HE   LYS  45          2HE       LYS  45 -12.521   6.009  17.399
  446   2HE   LYS  45          1HE       LYS  45 -13.070   7.662  17.137
  447   1HZ   LYS  45          1HZ       LYS  45 -14.722   5.205  17.262
  448   2HZ   LYS  45          2HZ       LYS  45 -15.323   6.689  16.703
  449   3HZ   LYS  45          3HZ       LYS  45 -14.776   6.545  18.298
  450    H    GLU  46           HN       GLU  46 -12.222   5.302  12.027
  451    HA   GLU  46           HA       GLU  46  -9.535   5.135  13.174
  452   1HB   GLU  46          2HB       GLU  46 -11.258   3.397  13.764
  453   2HB   GLU  46          1HB       GLU  46 -11.312   2.934  12.069
  454   1HG   GLU  46          2HG       GLU  46  -9.933   1.449  13.504
  455   2HG   GLU  46          1HG       GLU  46  -9.062   2.150  12.138
  456    H    ILE  47           HN       ILE  47  -7.920   3.882  11.734
  457    HA   ILE  47           HA       ILE  47  -7.821   5.240   9.252
  458    HB   ILE  47           HB       ILE  47  -5.855   4.008   8.707
  459   1HG1  ILE  47          2HG1      ILE  47  -6.330   2.321  11.176
  460   2HG1  ILE  47          1HG1      ILE  47  -6.652   1.783   9.531
  461   1HG2  ILE  47          1HG2      ILE  47  -5.562   5.829  10.255
  462   2HG2  ILE  47          2HG2      ILE  47  -4.464   4.522  10.697
  463   3HG2  ILE  47          3HG2      ILE  47  -5.943   4.780  11.622
  464   1HD1  ILE  47          1HD1      ILE  47  -3.946   2.643  10.518
  465   2HD1  ILE  47          2HD1      ILE  47  -4.336   1.874   8.975
  466   3HD1  ILE  47          3HD1      ILE  47  -4.511   0.972  10.481
  467    H    TYR  48           HN       TYR  48  -8.885   4.816   7.497
  468    HA   TYR  48           HA       TYR  48 -10.098   2.213   7.156
  469   1HB   TYR  48          2HB       TYR  48 -11.452   3.260   5.422
  470   2HB   TYR  48          1HB       TYR  48 -11.496   4.177   6.922
  471    HD1  TYR  48           1HD      TYR  48  -8.980   4.277   4.157
  472    HD2  TYR  48           2HD      TYR  48 -11.992   6.311   6.347
  473    HE1  TYR  48           1HE      TYR  48  -8.497   6.328   2.885
  474    HE2  TYR  48           2HE      TYR  48 -11.515   8.374   5.111
  475    HH   TYR  48           HH       TYR  48  -9.518   8.422   2.319
  476    H    LEU  49           HN       LEU  49  -7.240   3.559   6.346
  477    HA   LEU  49           HA       LEU  49  -7.121   2.487   3.631
  478   1HB   LEU  49          2HB       LEU  49  -5.865   4.716   5.018
  479   2HB   LEU  49          1HB       LEU  49  -4.684   3.704   4.209
  480    HG   LEU  49           HG       LEU  49  -7.096   4.852   2.814
  481   1HD1  LEU  49          1HD1      LEU  49  -4.286   5.934   2.933
  482   2HD1  LEU  49          2HD1      LEU  49  -5.720   6.682   3.636
  483   3HD1  LEU  49          3HD1      LEU  49  -5.572   6.530   1.883
  484   1HD2  LEU  49          1HD2      LEU  49  -4.523   3.656   1.794
  485   2HD2  LEU  49          2HD2      LEU  49  -5.809   4.337   0.797
  486   3HD2  LEU  49          3HD2      LEU  49  -6.112   2.891   1.759
  487    H    THR  50           HN       THR  50  -4.650   2.807   6.135
  488    HA   THR  50           HA       THR  50  -3.361   1.294   7.200
  489    HB   THR  50           HB       THR  50  -5.297  -0.732   6.106
  490    HG1  THR  50           1HG      THR  50  -5.348   0.166   8.756
  491   1HG2  THR  50          1HG2      THR  50  -3.339  -0.957   8.393
  492   2HG2  THR  50          2HG2      THR  50  -3.259  -1.830   6.864
  493   3HG2  THR  50          3HG2      THR  50  -4.573  -2.155   7.992
  494    H    ILE  51           HN       ILE  51  -3.593   1.650   4.008
  495    HA   ILE  51           HA       ILE  51  -1.749  -0.439   3.228
  496    HB   ILE  51           HB       ILE  51  -2.529   1.753   1.387
  497   1HG1  ILE  51          2HG1      ILE  51  -4.507   0.944   2.781
  498   2HG1  ILE  51          1HG1      ILE  51  -4.637   0.840   1.057
  499   1HG2  ILE  51          1HG2      ILE  51  -0.977   0.028   0.638
  500   2HG2  ILE  51          2HG2      ILE  51  -2.516  -0.110  -0.213
  501   3HG2  ILE  51          3HG2      ILE  51  -2.132  -1.224   1.098
  502   1HD1  ILE  51          1HD1      ILE  51  -5.523  -1.123   2.161
  503   2HD1  ILE  51          2HD1      ILE  51  -3.914  -1.435   2.819
  504   3HD1  ILE  51          3HD1      ILE  51  -4.184  -1.490   1.073
  505    H    GLN  52           HN       GLN  52  -1.776   3.060   2.490
  506    HA   GLN  52           HA       GLN  52   1.091   3.136   2.596
  507   1HB   GLN  52          2HB       GLN  52   1.008   5.290   1.798
  508   2HB   GLN  52          1HB       GLN  52  -0.506   4.649   1.165
  509   1HG   GLN  52          2HG       GLN  52  -1.784   5.877   2.647
  510   2HG   GLN  52          1HG       GLN  52  -0.457   6.062   3.795
  511   1HE2  GLN  52          1HE2      GLN  52  -0.476   8.238   3.947
  512   2HE2  GLN  52          2HE2      GLN  52  -0.080   9.300   2.634
  513    H    GLU  53           HN       GLU  53  -1.344   3.292   4.918
  514    HA   GLU  53           HA       GLU  53  -0.024   5.031   6.767
  515   1HB   GLU  53          2HB       GLU  53  -2.514   4.204   6.701
  516   2HB   GLU  53          1HB       GLU  53  -1.898   2.816   7.587
  517   1HG   GLU  53          2HG       GLU  53  -1.528   5.653   8.516
  518   2HG   GLU  53          1HG       GLU  53  -2.925   4.673   8.946
  519    H    GLU  54           HN       GLU  54   0.002   1.627   5.972
  520    HA   GLU  54           HA       GLU  54   1.919   0.875   7.942
  521   1HB   GLU  54          2HB       GLU  54   0.845  -0.375   5.425
  522   2HB   GLU  54          1HB       GLU  54   2.253  -1.074   6.232
  523   1HG   GLU  54          2HG       GLU  54  -0.484  -0.662   7.413
  524   2HG   GLU  54          1HG       GLU  54   0.251  -2.198   6.950
  525    H    ASN  55           HN       ASN  55   2.038   2.074   4.642
  526    HA   ASN  55           HA       ASN  55   4.963   1.937   4.630
  527   1HB   ASN  55          2HB       ASN  55   3.639   1.291   2.586
  528   2HB   ASN  55          1HB       ASN  55   3.104   2.960   2.476
  529   1HD2  ASN  55          1HD2      ASN  55   5.743   0.765   2.012
  530   2HD2  ASN  55          2HD2      ASN  55   6.786   1.868   1.182
  531    H    ASN  56           HN       ASN  56   3.305   4.467   2.976
  532    HA   ASN  56           HA       ASN  56   3.414   6.723   3.024
  533   1HB   ASN  56          2HB       ASN  56   2.541   6.420   5.361
  534   2HB   ASN  56          1HB       ASN  56   4.211   6.451   5.930
  535   1HD2  ASN  56          1HD2      ASN  56   2.009   8.236   6.571
  536   2HD2  ASN  56          2HD2      ASN  56   2.533   9.828   6.119
  537    H    ARG  57           HN       ARG  57   5.980   5.254   4.885
  538    HA   ARG  57           HA       ARG  57   7.998   6.839   3.440
  539   1HB   ARG  57          2HB       ARG  57   9.321   6.063   5.629
  540   2HB   ARG  57          1HB       ARG  57   8.323   7.516   5.617
  541   1HG   ARG  57          2HG       ARG  57   6.462   6.282   6.554
  542   2HG   ARG  57          1HG       ARG  57   7.403   4.792   6.515
  543   1HD   ARG  57          2HD       ARG  57   7.306   5.812   8.745
  544   2HD   ARG  57          1HD       ARG  57   8.950   5.679   8.129
  545    HE   ARG  57           HE       ARG  57   8.216   8.186   7.402
  546   1HH1  ARG  57          1HH1      ARG  57   8.120   6.485  10.456
  547   2HH1  ARG  57          2HH1      ARG  57   8.425   7.903  11.408
  548   1HH2  ARG  57          1HH2      ARG  57   8.625  10.056   8.631
  549   2HH2  ARG  57          2HH2      ARG  57   8.714   9.947  10.370
  550    H    ALA  58           HN       ALA  58   7.756   3.832   5.340
  551    HA   ALA  58           HA       ALA  58   8.574   2.188   3.138
  552   1HB   ALA  58          1HB       ALA  58  10.462   2.506   5.472
  553   2HB   ALA  58          2HB       ALA  58  10.743   3.087   3.831
  554   3HB   ALA  58          3HB       ALA  58  10.634   1.355   4.145
  555    H    ALA  59           HN       ALA  59   6.808   0.931   3.511
  556    HA   ALA  59           HA       ALA  59   6.044  -0.090   6.050
  557   1HB   ALA  59          1HB       ALA  59   4.464   0.073   4.195
  558   2HB   ALA  59          2HB       ALA  59   4.574  -1.583   4.788
  559   3HB   ALA  59          3HB       ALA  59   5.388  -1.127   3.290
  560    H    ALA  60           HN       ALA  60   6.466  -2.045   7.017
  561    HA   ALA  60           HA       ALA  60   8.916  -3.312   6.488
  562   1HB   ALA  60          1HB       ALA  60   6.587  -4.361   8.090
  563   2HB   ALA  60          2HB       ALA  60   7.859  -3.302   8.700
  564   3HB   ALA  60          3HB       ALA  60   8.251  -4.938   8.174
  565    H    LEU  61           HN       LEU  61   5.739  -3.863   5.307
  566    HA   LEU  61           HA       LEU  61   6.109  -6.501   4.340
  567   1HB   LEU  61          2HB       LEU  61   4.219  -4.320   3.463
  568   2HB   LEU  61          1HB       LEU  61   4.170  -5.954   2.837
  569    HG   LEU  61           HG       LEU  61   3.812  -6.701   5.261
  570   1HD1  LEU  61          1HD1      LEU  61   2.802  -5.034   6.746
  571   2HD1  LEU  61          2HD1      LEU  61   3.162  -3.773   5.566
  572   3HD1  LEU  61          3HD1      LEU  61   4.477  -4.637   6.362
  573   1HD2  LEU  61          1HD2      LEU  61   1.698  -5.049   3.889
  574   2HD2  LEU  61          2HD2      LEU  61   1.414  -6.263   5.137
  575   3HD2  LEU  61          3HD2      LEU  61   2.062  -6.744   3.570
  576    H    SER  62           HN       SER  62   6.118  -3.375   2.638
  577    HA   SER  62           HA       SER  62   7.105  -4.578   0.250
  578   1HB   SER  62          2HB       SER  62   6.678  -1.660   0.882
  579   2HB   SER  62          1HB       SER  62   6.875  -2.370  -0.724
  580    HG   SER  62           HG       SER  62   4.800  -2.636  -0.688
  581    H    SER  63           HN       SER  63   8.683  -3.872   2.979
  582    HA   SER  63           HA       SER  63  11.083  -2.792   1.824
  583   1HB   SER  63          2HB       SER  63  10.296  -2.520   4.260
  584   2HB   SER  63          1HB       SER  63  10.870  -4.170   4.492
  585    HG   SER  63           HG       SER  63  12.494  -2.108   3.407
  586    H    ASP  64           HN       ASP  64   9.653  -5.388   1.068
  587    HA   ASP  64           HA       ASP  64  10.060  -7.525   0.509
  588   1HB   ASP  64          2HB       ASP  64  12.726  -6.237  -0.006
  589   2HB   ASP  64          1HB       ASP  64  12.423  -7.925  -0.408
  590    H    VAL  65           HN       VAL  65  10.325  -6.788   3.250
  591    HA   VAL  65           HA       VAL  65  12.380  -8.347   4.420
  592    HB   VAL  65           HB       VAL  65   9.760  -7.367   5.553
  593   1HG1  VAL  65          1HG1      VAL  65  10.777  -7.773   7.770
  594   2HG1  VAL  65          2HG1      VAL  65  12.155  -8.538   6.976
  595   3HG1  VAL  65          3HG1      VAL  65  10.551  -9.261   6.852
  596   1HG2  VAL  65          1HG2      VAL  65  12.556  -6.278   5.857
  597   2HG2  VAL  65          2HG2      VAL  65  11.101  -5.629   6.612
  598   3HG2  VAL  65          3HG2      VAL  65  11.280  -5.580   4.860
  599    H    ILE  66           HN       ILE  66   8.966  -8.778   3.704
  600    HA   ILE  66           HA       ILE  66   9.232 -11.616   3.413
  601    HB   ILE  66           HB       ILE  66   7.031 -11.640   5.078
  602   1HG1  ILE  66          2HG1      ILE  66   7.940 -10.723   7.255
  603   2HG1  ILE  66          1HG1      ILE  66   9.157  -9.873   6.315
  604   1HG2  ILE  66          1HG2      ILE  66   8.432 -12.963   6.565
  605   2HG2  ILE  66          2HG2      ILE  66   9.877 -12.345   5.764
  606   3HG2  ILE  66          3HG2      ILE  66   8.740 -13.358   4.872
  607   1HD1  ILE  66          1HD1      ILE  66   6.179  -9.469   6.155
  608   2HD1  ILE  66          2HD1      ILE  66   7.381  -8.632   5.172
  609   3HD1  ILE  66          3HD1      ILE  66   7.349  -8.391   6.920
  610    H    SER  67           HN       SER  67   6.961  -8.928   3.769
  611    HA   SER  67           HA       SER  67   4.968  -8.422   2.868
  612   1HB   SER  67          2HB       SER  67   6.457  -8.043   0.939
  613   2HB   SER  67          1HB       SER  67   6.189  -9.703   0.426
  614    HG   SER  67           HG       SER  67   4.349  -9.119  -0.433
  615    H    ALA  68           HN       ALA  68   5.107 -11.149   0.673
  616    HA   ALA  68           HA       ALA  68   2.630 -12.185   1.563
  617   1HB   ALA  68          1HB       ALA  68   3.050 -14.024   0.037
  618   2HB   ALA  68          2HB       ALA  68   4.741 -13.543  -0.108
  619   3HB   ALA  68          3HB       ALA  68   3.470 -12.490  -0.727
  620    H    LEU  69           HN       LEU  69   2.240 -13.308   3.317
  621    HA   LEU  69           HA       LEU  69   2.469 -14.631   5.141
  622   1HB   LEU  69          2HB       LEU  69   4.652 -16.011   3.574
  623   2HB   LEU  69          1HB       LEU  69   3.746 -16.672   4.924
  624    HG   LEU  69           HG       LEU  69   2.551 -15.954   2.242
  625   1HD1  LEU  69          1HD1      LEU  69   2.432 -18.355   1.855
  626   2HD1  LEU  69          2HD1      LEU  69   3.254 -18.654   3.387
  627   3HD1  LEU  69          3HD1      LEU  69   4.105 -17.838   2.076
  628   1HD2  LEU  69          1HD2      LEU  69   0.972 -15.802   4.105
  629   2HD2  LEU  69          2HD2      LEU  69   1.395 -17.440   4.603
  630   3HD2  LEU  69          3HD2      LEU  69   0.596 -17.167   3.054
  631    H    SER  70           HN       SER  70   3.281 -12.708   6.192
  632    HA   SER  70           HA       SER  70   6.035 -12.076   6.274
  633   1HB   SER  70          2HB       SER  70   3.868 -11.305   8.244
  634   2HB   SER  70          1HB       SER  70   5.408 -10.478   7.995
  635    HG   SER  70           HG       SER  70   4.252 -10.638   5.632
  636    H    SER  71           HN       SER  71   3.987 -14.130   8.230
  637    HA   SER  71           HA       SER  71   5.970 -14.478  10.288
  638   1HB   SER  71          2HB       SER  71   3.494 -14.663  10.679
  639   2HB   SER  71          1HB       SER  71   3.508 -16.154   9.739
  640    HG   SER  71           HG       SER  71   4.489 -15.631  12.298
  641    H    GLN  72           HN       GLN  72   4.943 -16.107   7.375
  642    HA   GLN  72           HA       GLN  72   5.665 -17.900   6.214
  643   1HB   GLN  72          2HB       GLN  72   8.229 -17.368   7.718
  644   2HB   GLN  72          1HB       GLN  72   8.079 -18.509   6.389
  645   1HG   GLN  72          2HG       GLN  72   7.335 -16.632   4.948
  646   2HG   GLN  72          1HG       GLN  72   7.692 -15.521   6.272
  647   1HE2  GLN  72          1HE2      GLN  72   8.978 -17.572   3.810
  648   2HE2  GLN  72          2HE2      GLN  72  10.628 -17.067   3.945
  649    H    LYS  73           HN       LYS  73   4.376 -19.498   6.915
  650    HA   LYS  73           HA       LYS  73   4.971 -20.833   9.436
  651   1HB   LYS  73          2HB       LYS  73   2.715 -21.336   7.482
  652   2HB   LYS  73          1HB       LYS  73   2.876 -22.053   9.075
  653   1HG   LYS  73          2HG       LYS  73   1.314 -20.383   9.395
  654   2HG   LYS  73          1HG       LYS  73   2.813 -19.634   9.944
  655   1HD   LYS  73          2HD       LYS  73   3.022 -18.384   7.929
  656   2HD   LYS  73          1HD       LYS  73   1.737 -19.308   7.149
  657   1HE   LYS  73          2HE       LYS  73   1.412 -17.429   9.487
  658   2HE   LYS  73          1HE       LYS  73   0.947 -17.103   7.817
  659   1HZ   LYS  73          1HZ       LYS  73  -0.273 -18.986   9.739
  660   2HZ   LYS  73          2HZ       LYS  73  -0.485 -19.194   8.072
  661   3HZ   LYS  73          3HZ       LYS  73  -1.018 -17.769   8.821
  662    H    LYS  74           HN       LYS  74   6.526 -22.304   9.322
  663    HA   LYS  74           HA       LYS  74   6.764 -23.947   6.912
  664   1HB   LYS  74          2HB       LYS  74   8.621 -23.767   9.291
  665   2HB   LYS  74          1HB       LYS  74   8.938 -24.618   7.787
  666   1HG   LYS  74          2HG       LYS  74   8.860 -22.447   6.594
  667   2HG   LYS  74          1HG       LYS  74   8.683 -21.631   8.150
  668   1HD   LYS  74          2HD       LYS  74  10.830 -22.825   8.833
  669   2HD   LYS  74          1HD       LYS  74  11.019 -23.234   7.129
  670   1HE   LYS  74          2HE       LYS  74  12.281 -21.274   7.445
  671   2HE   LYS  74          1HE       LYS  74  10.792 -20.752   6.658
  672   1HZ   LYS  74          1HZ       LYS  74   9.931 -20.117   8.848
  673   2HZ   LYS  74          2HZ       LYS  74  11.339 -19.270   8.459
  674   3HZ   LYS  74          3HZ       LYS  74  11.400 -20.561   9.559