*HEADER    DNA BINDING PROTEIN                     1999-10-21  1D8B              
*TITLE     NMR STRUCTURE OF THE HRDC DOMAIN FROM SACCHAROMYCES                   
*TITLE    2 CEREVISIAE RECQ HELICASE                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SGS1 RECQ HELICASE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: HRDC DOMAIN;                                               
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: MODIFIED PET9D                             
*KEYWDS    FIVE HELICES, THREE-HELICAL BUNDLE FLANKED BY TWO HELICES             
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    Z.LIU, M.J.MACIAS, M.J.BOTTOMLEY, G.STIER, J.P.LINGE,                 
*AUTHOR   2 M.NILGES, P.BORK, M.SATTLER                                          
*REVDAT   1   10-JAN-00 1D8B    0

#CONSTRAINT FILE
 ASSI {  519}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      1.800     1.800     4.200 peak   519 weight  0.10000E+01 volume  0.88280E-03 ppm1      2.808 ppm2      7.910
 OR {  519}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  631}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     3.500     2.500 peak   631 weight  0.10000E+01 volume  0.63534E-03 ppm1      1.300 ppm2      7.167
 OR {  631}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 51   and name HN  ))
 OR {  631}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  667}
   (( segid "    " and resid 56   and name HD21))
   (( segid "    " and resid 56   and name HN  ))
      2.700     2.700     3.300 peak   667 weight  0.10000E+01 volume  0.63995E-03 ppm1      6.831 ppm2      7.493
 OR {  667}
   (( segid "    " and resid 60   and name HZ  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  804}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      1.600     1.600     4.400 peak   804 weight  0.10000E+01 volume  0.42236E-03 ppm1      1.461 ppm2      8.471
 OR {  804}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
 ASSI {  821}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.100     2.100     3.900 peak   821 weight  0.10000E+01 volume  0.84194E-03 ppm1      1.984 ppm2      7.676
 OR {  821}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 83   and name HN  ))
 OR {  821}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  828}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 84   and name HN  ))
      3.700     1.700     1.700 peak   828 weight  0.10000E+01 volume  0.45308E-03 ppm1      0.728 ppm2      8.390
 OR {  828}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 84   and name HN  ))
 OR {  828}
   (( segid "    " and resid 81   and name HG13))
   (( segid "    " and resid 84   and name HN  ))
 OR {  828}
   (( segid "    " and resid 53   and name HG  ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  829}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 84   and name HN  ))
      2.000     2.000     4.000 peak   829 weight  0.10000E+01 volume  0.41648E-03 ppm1      1.177 ppm2      8.390
 OR {  829}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  843}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 85   and name HN  ))
      2.000     2.000     4.000 peak   843 weight  0.10000E+01 volume  0.13910E-02 ppm1      0.727 ppm2      8.783
 OR {  843}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
 ASSI {  993}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HB3 ))
      2.100     0.600     0.600 peak   993 weight  0.10000E+01 volume  0.10481E-01 ppm1      0.846 ppm2      1.507
 OR {  993}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 ASSI { 1522}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 45   and name HG2%)
      2.200     0.600     0.600 peak  1522 weight  0.10000E+01 volume  0.77999E-02 ppm1      1.401 ppm2      0.893
 OR { 1522}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 45   and name HG2%)
 OR { 1522}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 1549}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.300     3.300     2.700 peak  1549 weight  0.10000E+01 volume  0.71154E-03 ppm1      3.778 ppm2      0.618
 OR { 1549}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1550}
   (( segid "    " and resid 63   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.800     2.800     3.200 peak  1550 weight  0.10000E+01 volume  0.20976E-02 ppm1      1.663 ppm2      0.618
 OR { 1550}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1550}
   (( segid "    " and resid 48   and name HD2 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1586}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 37   and name HG1%)
      2.700     2.700     3.300 peak  1586 weight  0.10000E+01 volume  0.22578E-02 ppm1      2.036 ppm2      0.977
 OR { 1586}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 37   and name HG1%)
 ASSI { 1600}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 66   and name HG1%)
      2.700     2.700     3.300 peak  1600 weight  0.10000E+01 volume  0.22207E-02 ppm1      4.189 ppm2      0.930
 OR { 1600}
   (( segid "    " and resid 64   and name HA2 ))
   (  segid "    " and resid 66   and name HG1%)
 OR { 1600}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 66   and name HG1%)
 ASSI { 1652}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 12   and name HD2%)
      2.600     2.600     3.400 peak  1652 weight  0.10000E+01 volume  0.32412E-02 ppm1      4.402 ppm2      0.783
 OR { 1652}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 12   and name HD2%)
 ASSI { 1657}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      3.500     3.500     2.500 peak  1657 weight  0.10000E+01 volume  0.53300E-03 ppm1      4.108 ppm2      1.402
 OR { 1657}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1657}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1658}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.600     0.900     0.900 peak  1658 weight  0.10000E+01 volume  0.29629E-02 ppm1      3.991 ppm2      1.402
 OR { 1658}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1658}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1660}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      2.900     1.000     1.000 peak  1660 weight  0.10000E+01 volume  0.16447E-02 ppm1      2.014 ppm2      1.403
 OR { 1660}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1662}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 18   and name HG2%)
      2.800     1.000     1.000 peak  1662 weight  0.10000E+01 volume  0.21064E-02 ppm1      1.904 ppm2      1.402
 OR { 1662}
   (( segid "    " and resid 49   and name HG3 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1662}
   (( segid "    " and resid 81   and name HG12))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1665}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
      1.900     0.400     0.400 peak  1665 weight  0.10000E+01 volume  0.21729E-01 ppm1      0.847 ppm2      1.402
 OR { 1665}
   (  segid "    " and resid 53   and name HD2%)
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1666}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
      2.100     0.600     0.600 peak  1666 weight  0.10000E+01 volume  0.10884E-01 ppm1      0.749 ppm2      1.402
 OR { 1666}
   (( segid "    " and resid 53   and name HG  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1677}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 63   and name HD2%)
      2.600     0.800     0.800 peak  1677 weight  0.10000E+01 volume  0.32776E-02 ppm1      1.269 ppm2      0.544
 OR { 1677}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 63   and name HD2%)
 ASSI { 1678}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 63   and name HD2%)
      2.600     0.900     0.900 peak  1678 weight  0.10000E+01 volume  0.29065E-02 ppm1      0.913 ppm2      0.544
 OR { 1678}
   (  segid "    " and resid 66   and name HG1%)
   (  segid "    " and resid 63   and name HD2%)
 ASSI { 1692}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      2.400     2.400     3.600 peak  1692 weight  0.10000E+01 volume  0.51586E-02 ppm1      3.875 ppm2      0.847
 OR { 1692}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI { 1702}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name HG2 ))
      2.200     2.200     3.800 peak  1702 weight  0.10000E+01 volume  0.76806E-02 ppm1      1.940 ppm2      1.541
 OR { 1702}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 1717}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 63   and name HD1%)
      3.000     3.000     3.000 peak  1717 weight  0.10000E+01 volume  0.14067E-02 ppm1      1.467 ppm2      0.544
 OR { 1717}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 63   and name HD1%)
 OR { 1717}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI { 1722}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 53   and name HD1%)
      2.300     2.300     3.700 peak  1722 weight  0.10000E+01 volume  0.69647E-02 ppm1      1.554 ppm2      0.718
 OR { 1722}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 53   and name HG  ))
 OR { 1722}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HG  ))
 ASSI { 1732}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
      2.000     0.500     0.500 peak  1732 weight  0.10000E+01 volume  0.14224E-01 ppm1      1.400 ppm2      0.759
 OR { 1732}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR { 1732}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 53   and name HG  ))
 ASSI { 1733}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.200     2.200     3.800 peak  1733 weight  0.10000E+01 volume  0.79444E-02 ppm1      1.316 ppm2      0.759
 OR { 1733}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 53   and name HG  ))
 OR { 1733}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 1745}
   (( segid "    " and resid 80   and name HB  ))
   (  segid "    " and resid 25   and name HD1%)
      2.300     2.300     3.700 peak  1745 weight  0.10000E+01 volume  0.69835E-02 ppm1      3.971 ppm2      0.761
 OR { 1745}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1747}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
      2.300     2.300     3.700 peak  1747 weight  0.10000E+01 volume  0.67260E-02 ppm1      1.898 ppm2      0.761
 OR { 1747}
   (( segid "    " and resid 81   and name HG12))
   (  segid "    " and resid 25   and name HD1%)
 OR { 1747}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 1747}
   (( segid "    " and resid 49   and name HG3 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1785}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      3.400     1.500     1.500 peak  1785 weight  0.10000E+01 volume  0.60936E-03 ppm1      4.150 ppm2      0.111
 OR { 1785}
   (( segid "    " and resid 30   and name HA1 ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI { 1786}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      3.400     1.400     1.400 peak  1786 weight  0.10000E+01 volume  0.63052E-03 ppm1      4.198 ppm2      0.111
 OR { 1786}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI { 1840}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 21   and name HB3 ))
      2.900     1.100     1.100 peak  1840 weight  0.10000E+01 volume  0.15399E-02 ppm1      0.931 ppm2      1.938
 OR { 1840}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 21   and name HB3 ))
 ASSI { 1860}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 81   and name HG13))
      2.400     2.400     3.600 peak  1860 weight  0.10000E+01 volume  0.49663E-02 ppm1      0.751 ppm2      0.719
 OR { 1860}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 81   and name HG13))
 OR { 1860}
   (( segid "    " and resid 53   and name HG  ))
   (( segid "    " and resid 81   and name HG13))
 ASSI { 1897}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 41   and name HG2 ))
      3.000     3.000     3.000 peak  1897 weight  0.10000E+01 volume  0.86980E-03 ppm1      7.211 ppm2      2.406
 OR { 1897}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 41   and name HG2 ))
 ASSI { 1940}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 41   and name HB3 ))
      2.900     1.000     1.000 peak  1940 weight  0.10000E+01 volume  0.16284E-02 ppm1      0.939 ppm2      1.892
 OR { 1940}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 41   and name HB3 ))
 OR { 1940}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1990}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.900     2.900     3.100 peak  1990 weight  0.10000E+01 volume  0.15719E-02 ppm1      4.127 ppm2      2.664
 OR { 1990}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR { 1990}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI { 1991}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.600     2.600     3.400 peak  1991 weight  0.10000E+01 volume  0.30716E-02 ppm1      4.128 ppm2      2.843
 OR { 1991}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
 OR { 1991}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR { 1991}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 31   and name HB3 ))
 ASSI { 1995}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.800     2.800     3.200 peak  1995 weight  0.10000E+01 volume  0.21918E-02 ppm1      1.549 ppm2      1.933
 OR { 1995}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1996}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HB3 ))
      3.000     3.000     3.000 peak  1996 weight  0.10000E+01 volume  0.12032E-02 ppm1      1.550 ppm2      1.102
 OR { 1996}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 53   and name HB3 ))
 ASSI { 2092}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 84   and name HB2 ))
      2.500     0.800     0.800 peak  2092 weight  0.10000E+01 volume  0.37787E-02 ppm1      0.856 ppm2      2.011
 OR { 2092}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HB2 ))
 ASSI { 2095}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.300     2.300     3.700 peak  2095 weight  0.10000E+01 volume  0.61432E-02 ppm1      1.504 ppm2      1.385
 OR { 2095}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 2105}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.800     0.800 peak  2105 weight  0.10000E+01 volume  0.31483E-02 ppm1      0.934 ppm2      2.021
 OR { 2105}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
 OR { 2105}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 2173}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 35   and name HD2 ))
      2.400     2.400     3.600 peak  2173 weight  0.10000E+01 volume  0.46693E-02 ppm1      1.877 ppm2      3.585
 OR { 2173}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 36   and name HD2 ))
 ASSI { 2174}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HD2 ))
      2.500     0.800     0.800 peak  2174 weight  0.10000E+01 volume  0.40532E-02 ppm1      1.821 ppm2      3.585
 OR { 2174}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HD2 ))
 ASSI { 2191}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.500     1.500 peak  2191 weight  0.10000E+01 volume  0.57080E-03 ppm1      1.384 ppm2      4.868
 OR { 2191}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2193}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.600     1.600 peak  2193 weight  0.10000E+01 volume  0.49306E-03 ppm1      2.788 ppm2      4.883
 OR { 2193}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2262}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak  2262 weight  0.10000E+01 volume  0.70212E-03 ppm1      1.873 ppm2      3.816
 OR { 2262}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2287}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak  2287 weight  0.10000E+01 volume  0.11656E-02 ppm1      1.531 ppm2      4.188
 OR { 2287}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HB3 ))
 OR { 2287}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 26   and name HB3 ))
 ASSI { 2312}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 60   and name HD% )
      3.200     1.300     1.300 peak  2312 weight  0.10000E+01 volume  0.61363E-03 ppm1      1.401 ppm2      6.610
 OR { 2312}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 60   and name HD% )
 OR { 2312}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 60   and name HD% )
 ASSI { 2372}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 76   and name HD% )
      2.900     1.000     1.000 peak  2372 weight  0.10000E+01 volume  0.11562E-02 ppm1      0.347 ppm2      7.487
 OR { 2372}
   (( segid "    " and resid 75   and name HG3 ))
   (  segid "    " and resid 76   and name HD% )
 ASSI { 2373}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 76   and name HD% )
      3.000     1.100     1.100 peak  2373 weight  0.10000E+01 volume  0.99038E-03 ppm1      0.124 ppm2      7.487
 OR { 2373}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 77   and name HD% )
 ASSI { 2374}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     3.200     2.800 peak  2374 weight  0.10000E+01 volume  0.94202E-03 ppm1      1.536 ppm2      3.778
 OR { 2374}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 58   and name HB2 ))
 OR { 2374}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2377}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     3.500     2.500 peak  2377 weight  0.10000E+01 volume  0.49231E-03 ppm1      1.448 ppm2      3.778
 OR { 2377}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2389}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     2.900     3.100 peak  2389 weight  0.10000E+01 volume  0.15380E-02 ppm1      2.618 ppm2      4.234
 OR { 2389}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 2501}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak  2501 weight  0.10000E+01 volume  0.45876E-03 ppm1      0.612 ppm2      4.226
 OR { 2501}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2560}
   (( segid "    " and resid 75   and name HG3 ))
   (  segid "    " and resid 76   and name HE% )
      3.100     1.200     1.200 peak  2560 weight  0.10000E+01 volume  0.79821E-03 ppm1      0.346 ppm2      6.969
 OR { 2560}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 76   and name HE% )
 ASSI { 2616}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 60   and name HE% )
      3.000     3.000     3.000 peak  2616 weight  0.10000E+01 volume  0.88173E-03 ppm1      0.913 ppm2      6.750
 OR { 2616}
   (  segid "    " and resid 66   and name HG1%)
   (  segid "    " and resid 60   and name HE% )
 OR { 2616}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 60   and name HE% )
 ASSI { 2627}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 77   and name HD% )
      2.500     2.500     3.500 peak  2627 weight  0.10000E+01 volume  0.20724E-02 ppm1      7.214 ppm2      7.487
 OR { 2627}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 76   and name HD% )
 ASSI { 2651}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 60   and name HZ  ))
      3.100     1.200     1.200 peak  2651 weight  0.10000E+01 volume  0.72347E-03 ppm1      1.401 ppm2      6.846
 OR { 2651}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 60   and name HZ  ))
 OR { 2651}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 60   and name HZ  ))
 ASSI { 2654}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 77   and name HZ  ))
      3.100     1.200     1.200 peak  2654 weight  0.10000E+01 volume  0.70212E-03 ppm1      2.020 ppm2      7.439
 OR { 2654}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 77   and name HZ  ))
 OR { 2654}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 77   and name HZ  ))
 ASSI { 2729}
   (( segid "    " and resid 20   and name HG3 ))
   (  segid "    " and resid 19   and name HD% )
      3.100     3.100     2.900 peak  2729 weight  0.10000E+01 volume  0.73478E-03 ppm1      2.297 ppm2      6.793
 OR { 2729}
   (( segid "    " and resid 49   and name HG2 ))
   (  segid "    " and resid 19   and name HD% )
 ASSI { 2749}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 74   and name HZ  ))
      3.100     1.200     1.200 peak  2749 weight  0.10000E+01 volume  0.73666E-03 ppm1      0.913 ppm2      7.063
 OR { 2749}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 74   and name HZ  ))
 ASSI { 2783}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 77   and name HE% )
      2.700     0.900     0.900 peak  2783 weight  0.10000E+01 volume  0.17811E-02 ppm1      2.021 ppm2      7.488
 OR { 2783}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 77   and name HE% )
 ASSI { 2812}
   (( segid "    " and resid 42   and name HG2 ))
   (  segid "    " and resid 45   and name HD1%)
      2.700     0.900     0.900 peak  2812 weight  0.10000E+01 volume  0.25228E-02 ppm1      1.408 ppm2      0.630
 OR { 2812}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 45   and name HD1%)
 OR { 2812}
   (( segid "    " and resid 42   and name HG3 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 2815}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 45   and name HB  ))
      3.000     1.100     1.100 peak  2815 weight  0.10000E+01 volume  0.14106E-02 ppm1      1.390 ppm2      1.802
 OR { 2815}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 45   and name HB  ))
 OR { 2815}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 45   and name HB  ))
 ASSI { 2878}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
      2.100     2.100     3.900 peak  2878 weight  0.10000E+01 volume  0.12673E-01 ppm1      4.131 ppm2      0.764
 OR { 2878}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 2878}
   (( segid "    " and resid 30   and name HA1 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2881}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 46   and name HD2%)
      2.500     0.800     0.800 peak  2881 weight  0.10000E+01 volume  0.36877E-02 ppm1      2.019 ppm2      0.631
 OR { 2881}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 46   and name HD2%)
 ASSI { 2905}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HG  ))
      3.200     1.300     1.300 peak  2905 weight  0.10000E+01 volume  0.87608E-03 ppm1      4.136 ppm2      1.094
 OR { 2905}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HG  ))
 ASSI { 2971}
   (( segid "    " and resid 80   and name HB  ))
   (  segid "    " and resid 81   and name HD1%)
      3.500     1.500     1.500 peak  2971 weight  0.10000E+01 volume  0.55724E-03 ppm1      3.971 ppm2      0.976
 OR { 2971}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 81   and name HD1%)
 OR { 2971}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 81   and name HD1%)
 ASSI { 2984}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 85   and name HB2 ))
      3.000     1.200     1.200 peak  2984 weight  0.10000E+01 volume  0.11914E-02 ppm1      1.933 ppm2      3.972
 OR { 2984}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 3010}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      2.600     2.600     3.400 peak  3010 weight  0.10000E+01 volume  0.31080E-02 ppm1      4.185 ppm2      4.403
 OR { 3010}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 3037}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.400     3.400     2.600 peak  3037 weight  0.10000E+01 volume  0.61935E-03 ppm1      4.123 ppm2      2.582
 OR { 3037}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 3079}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 29   and name HD1%)
      3.100     3.100     2.900 peak  3079 weight  0.10000E+01 volume  0.11619E-02 ppm1      1.394 ppm2      0.111
 OR { 3079}
   (  segid "    " and resid 79   and name HB% )
   (  segid "    " and resid 29   and name HD1%)
 OR { 3079}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 29   and name HD1%)
 OR { 3079}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI { 3091}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 22   and name HG  ))
      2.700     0.900     0.900 peak  3091 weight  0.10000E+01 volume  0.24404E-02 ppm1      1.406 ppm2      1.890
 OR { 3091}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 22   and name HG  ))
 ASSI { 3113}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 30   and name HA1 ))
      3.500     1.500     1.500 peak  3113 weight  0.10000E+01 volume  0.52445E-03 ppm1      4.393 ppm2      4.145
 OR { 3113}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 30   and name HA1 ))
 ASSI { 3114}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 30   and name HA2 ))
      3.500     1.500     1.500 peak  3114 weight  0.10000E+01 volume  0.54725E-03 ppm1      4.396 ppm2      3.668
 OR { 3114}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 30   and name HA2 ))
 ASSI { 3132}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      3.500     1.500     1.500 peak  3132 weight  0.10000E+01 volume  0.36381E-03 ppm1      7.226 ppm2      0.932
 OR { 3132}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 46   and name HD1%)
 ASSI { 3143}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.400     1.400 peak  3143 weight  0.10000E+01 volume  0.63555E-03 ppm1      3.096 ppm2      3.751
 OR { 3143}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 3143}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 3234}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 41   and name HE% )
      1.900     0.500     0.500 peak  3234 weight  0.10000E+01 volume  0.18520E-01 ppm1      1.394 ppm2      2.019
 OR { 3234}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 41   and name HE% )
 ASSI {    2}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak     2 weight  0.11000E+01 volume  0.12189E-02 ppm1      4.391 ppm2      8.875
 ASSI {    3}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak     3 weight  0.11000E+01 volume  0.16240E-02 ppm1      2.051 ppm2      8.875
 ASSI {    4}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak     4 weight  0.11000E+01 volume  0.17265E-02 ppm1      1.970 ppm2      8.875
 ASSI {    5}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.700     1.700     1.700 peak     5 weight  0.11000E+01 volume  0.42039E-03 ppm1      2.589 ppm2      8.875
 ASSI {    6}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak     6 weight  0.11000E+01 volume  0.34771E-03 ppm1      2.500 ppm2      8.875
 ASSI {    8}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak     8 weight  0.11000E+01 volume  0.15239E-02 ppm1      4.235 ppm2      8.313
 ASSI {    9}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak     9 weight  0.11000E+01 volume  0.41901E-02 ppm1      2.014 ppm2      8.313
 ASSI {   10}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     3.100     2.900 peak    10 weight  0.11000E+01 volume  0.11613E-02 ppm1      2.241 ppm2      8.313
 ASSI {   12}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak    12 weight  0.11000E+01 volume  0.64052E-02 ppm1      4.187 ppm2      8.191
 ASSI {   13}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak    13 weight  0.11000E+01 volume  0.31330E-02 ppm1      1.658 ppm2      8.191
 ASSI {   14}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak    14 weight  0.11000E+01 volume  0.31663E-02 ppm1      1.559 ppm2      8.191
 ASSI {   15}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.100     1.100 peak    15 weight  0.11000E+01 volume  0.17495E-02 ppm1      1.508 ppm2      8.191
 ASSI {   16}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak    16 weight  0.11000E+01 volume  0.64627E-03 ppm1      0.852 ppm2      8.191
 ASSI {   17}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak    17 weight  0.11000E+01 volume  0.71188E-03 ppm1      0.801 ppm2      8.191
 ASSI {   20}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak    20 weight  0.11000E+01 volume  0.10997E-02 ppm1      4.551 ppm2      8.391
 ASSI {   21}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.100     1.100 peak    21 weight  0.11000E+01 volume  0.17575E-02 ppm1      2.836 ppm2      8.391
 ASSI {   23}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak    23 weight  0.11000E+01 volume  0.44785E-03 ppm1      4.522 ppm2      8.445
 ASSI {   24}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak    24 weight  0.11000E+01 volume  0.41452E-03 ppm1      2.928 ppm2      8.445
 ASSI {   25}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.600     1.600 peak    25 weight  0.11000E+01 volume  0.55379E-03 ppm1      2.786 ppm2      8.445
 ASSI {   27}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.200     1.200 peak    27 weight  0.11000E+01 volume  0.11285E-02 ppm1      3.988 ppm2      8.366
 ASSI {   28}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak    28 weight  0.11000E+01 volume  0.22364E-02 ppm1      1.717 ppm2      8.366
 ASSI {   29}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak    29 weight  0.11000E+01 volume  0.23043E-02 ppm1      1.673 ppm2      8.366
 ASSI {   30}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak    30 weight  0.11000E+01 volume  0.10814E-02 ppm1      1.573 ppm2      8.366
 ASSI {   31}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak    31 weight  0.11000E+01 volume  0.32182E-03 ppm1      0.837 ppm2      8.366
 ASSI {   32}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak    32 weight  0.11000E+01 volume  0.45964E-03 ppm1      0.809 ppm2      8.366
 ASSI {   34}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak    34 weight  0.11000E+01 volume  0.31514E-02 ppm1      4.141 ppm2      8.084
 ASSI {   35}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.700     0.700 peak    35 weight  0.11000E+01 volume  0.71534E-02 ppm1      1.912 ppm2      8.084
 ASSI {   36}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     2.600     3.400 peak    36 weight  0.11000E+01 volume  0.38184E-02 ppm1      1.703 ppm2      8.084
 ASSI {   39}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak    39 weight  0.11000E+01 volume  0.38081E-02 ppm1      4.145 ppm2      8.207
 ASSI {   40}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.300     0.700     0.700 peak    40 weight  0.11000E+01 volume  0.65778E-02 ppm1      2.151 ppm2      8.207
 ASSI {   41}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak    41 weight  0.11000E+01 volume  0.10934E-02 ppm1      2.543 ppm2      8.207
 ASSI {   42}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     3.000     3.000 peak    42 weight  0.11000E+01 volume  0.16713E-02 ppm1      2.728 ppm2      8.207
 ASSI {   43}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak    43 weight  0.11000E+01 volume  0.10934E-02 ppm1      2.546 ppm2      8.207
 ASSI {   45}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak    45 weight  0.11000E+01 volume  0.21604E-02 ppm1      3.821 ppm2      8.226
 ASSI {   46}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak    46 weight  0.11000E+01 volume  0.35991E-02 ppm1      4.389 ppm2      8.226
 ASSI {   47}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.300     1.300 peak    47 weight  0.11000E+01 volume  0.10422E-02 ppm1      1.420 ppm2      8.226
 ASSI {   49}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     0.900     0.900 peak    49 weight  0.11000E+01 volume  0.25339E-02 ppm1      3.984 ppm2      8.351
 ASSI {   50}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak    50 weight  0.11000E+01 volume  0.38760E-02 ppm1      3.139 ppm2      8.351
 ASSI {   51}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.900     0.900 peak    51 weight  0.11000E+01 volume  0.34161E-02 ppm1      2.966 ppm2      8.351
 ASSI {   53}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak    53 weight  0.11000E+01 volume  0.28257E-02 ppm1      3.536 ppm2      8.713
 ASSI {   54}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak    54 weight  0.11000E+01 volume  0.47495E-02 ppm1      2.028 ppm2      8.713
 ASSI {   55}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     2.500     3.500 peak    55 weight  0.11000E+01 volume  0.47495E-02 ppm1      2.036 ppm2      8.713
 ASSI {   56}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     2.700     3.300 peak    56 weight  0.11000E+01 volume  0.26519E-02 ppm1      2.560 ppm2      8.713
 ASSI {   57}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.000     1.000 peak    57 weight  0.11000E+01 volume  0.18703E-02 ppm1      2.307 ppm2      8.713
 ASSI {   59}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak    59 weight  0.11000E+01 volume  0.38655E-02 ppm1      4.147 ppm2      7.923
 ASSI {   60}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.700     0.700 peak    60 weight  0.11000E+01 volume  0.76712E-02 ppm1      2.012 ppm2      7.923
 ASSI {   61}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak    61 weight  0.11000E+01 volume  0.47420E-02 ppm1      1.934 ppm2      7.923
 ASSI {   62}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     2.800     3.200 peak    62 weight  0.11000E+01 volume  0.22519E-02 ppm1      1.707 ppm2      7.923
 ASSI {   66}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak    66 weight  0.11000E+01 volume  0.32434E-02 ppm1      4.146 ppm2      7.897
 ASSI {   67}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak    67 weight  0.11000E+01 volume  0.47271E-02 ppm1      2.028 ppm2      7.897
 ASSI {   68}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak    68 weight  0.11000E+01 volume  0.59851E-02 ppm1      1.905 ppm2      7.897
 ASSI {   69}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.100     1.100 peak    69 weight  0.11000E+01 volume  0.18520E-02 ppm1      1.392 ppm2      7.897
 ASSI {   70}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak    70 weight  0.11000E+01 volume  0.13224E-02 ppm1      0.761 ppm2      7.897
 ASSI {   71}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      3.000     3.000     3.000 peak    71 weight  0.11000E+01 volume  0.14922E-02 ppm1      0.927 ppm2      7.897
 ASSI {   73}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak    73 weight  0.11000E+01 volume  0.25742E-02 ppm1      3.876 ppm2      9.031
 ASSI {   74}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak    74 weight  0.11000E+01 volume  0.33638E-02 ppm1      1.540 ppm2      9.031
 ASSI {   75}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak    75 weight  0.11000E+01 volume  0.31663E-02 ppm1      1.054 ppm2      9.031
 ASSI {   76}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     2.900     3.100 peak    76 weight  0.11000E+01 volume  0.19797E-02 ppm1      1.413 ppm2      9.031
 ASSI {   78}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.000     2.000     2.000 peak    78 weight  0.11000E+01 volume  0.25822E-03 ppm1      2.942 ppm2      9.031
 ASSI {   80}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak    80 weight  0.11000E+01 volume  0.38707E-02 ppm1      3.881 ppm2      8.174
 ASSI {   81}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak    81 weight  0.11000E+01 volume  0.61750E-02 ppm1      2.100 ppm2      8.174
 ASSI {   82}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak    82 weight  0.11000E+01 volume  0.53635E-02 ppm1      2.048 ppm2      8.174
 ASSI {   83}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     3.100     2.900 peak    83 weight  0.11000E+01 volume  0.11781E-02 ppm1      2.294 ppm2      8.174
 ASSI {   84}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     3.000     3.000 peak    84 weight  0.11000E+01 volume  0.15924E-02 ppm1      2.173 ppm2      8.174
 ASSI {   86}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak    86 weight  0.11000E+01 volume  0.45866E-02 ppm1      4.144 ppm2      7.440
 ASSI {   87}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak    87 weight  0.11000E+01 volume  0.70382E-02 ppm1      2.044 ppm2      7.440
 ASSI {   88}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak    88 weight  0.11000E+01 volume  0.43679E-02 ppm1      1.542 ppm2      7.440
 ASSI {   89}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak    89 weight  0.11000E+01 volume  0.36296E-03 ppm1      1.134 ppm2      7.440
 ASSI {   90}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      3.000     3.000     3.000 peak    90 weight  0.11000E+01 volume  0.16425E-02 ppm1      0.778 ppm2      7.440
 ASSI {   91}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak    91 weight  0.11000E+01 volume  0.16425E-02 ppm1      0.775 ppm2      7.440
 ASSI {   94}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak    94 weight  0.11000E+01 volume  0.24078E-02 ppm1      3.982 ppm2      8.299
 ASSI {   95}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak    95 weight  0.11000E+01 volume  0.30219E-02 ppm1      4.471 ppm2      8.299
 ASSI {   96}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak    96 weight  0.11000E+01 volume  0.40750E-02 ppm1      4.186 ppm2      8.299
 ASSI {   98}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak    98 weight  0.11000E+01 volume  0.29074E-02 ppm1      4.133 ppm2      8.588
 ASSI {   99}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak    99 weight  0.11000E+01 volume  0.49342E-02 ppm1      1.831 ppm2      8.588
 ASSI {  100}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak   100 weight  0.11000E+01 volume  0.19567E-02 ppm1      1.503 ppm2      8.588
 ASSI {  101}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     2.500     3.500 peak   101 weight  0.11000E+01 volume  0.49342E-02 ppm1      1.838 ppm2      8.588
 ASSI {  102}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak   102 weight  0.11000E+01 volume  0.11446E-02 ppm1      0.887 ppm2      8.588
 ASSI {  103}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak   103 weight  0.11000E+01 volume  0.11446E-02 ppm1      0.891 ppm2      8.588
 ASSI {  106}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   106 weight  0.11000E+01 volume  0.37246E-02 ppm1      4.266 ppm2      7.897
 ASSI {  107}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak   107 weight  0.11000E+01 volume  0.60829E-02 ppm1      2.855 ppm2      7.897
 ASSI {  108}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   108 weight  0.11000E+01 volume  0.28072E-02 ppm1      2.675 ppm2      7.897
 ASSI {  110}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   110 weight  0.11000E+01 volume  0.18859E-02 ppm1      3.444 ppm2      8.558
 ASSI {  111}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.800     0.800 peak   111 weight  0.11000E+01 volume  0.35151E-02 ppm1      0.821 ppm2      8.558
 ASSI {  112}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   112 weight  0.11000E+01 volume  0.19613E-02 ppm1     -0.290 ppm2      8.558
 ASSI {  113}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.800     0.800 peak   113 weight  0.11000E+01 volume  0.36406E-02 ppm1      1.341 ppm2      8.558
 ASSI {  114}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak   114 weight  0.11000E+01 volume  0.10554E-02 ppm1      0.144 ppm2      8.558
 ASSI {  115}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak   115 weight  0.11000E+01 volume  0.10198E-02 ppm1      0.311 ppm2      8.558
 ASSI {  117}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     0.800     0.800 peak   117 weight  0.11000E+01 volume  0.43679E-02 ppm1      4.141 ppm2      7.910
 ASSI {  118}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     0.900     0.900 peak   118 weight  0.11000E+01 volume  0.25149E-02 ppm1      3.662 ppm2      7.910
 ASSI {  120}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   120 weight  0.11000E+01 volume  0.30662E-02 ppm1      4.675 ppm2      7.802
 ASSI {  121}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   121 weight  0.11000E+01 volume  0.51633E-02 ppm1      2.873 ppm2      7.802
 ASSI {  122}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   122 weight  0.11000E+01 volume  0.40647E-02 ppm1      2.784 ppm2      7.802
 ASSI {  124}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   124 weight  0.11000E+01 volume  0.28516E-02 ppm1      4.269 ppm2      7.231
 ASSI {  125}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.100     1.100 peak   125 weight  0.11000E+01 volume  0.17812E-02 ppm1      1.867 ppm2      7.232
 ASSI {  126}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   126 weight  0.11000E+01 volume  0.43518E-02 ppm1      1.638 ppm2      7.232
 ASSI {  129}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HN  ))
      4.300     2.300     1.700 peak   129 weight  0.11000E+01 volume  0.17541E-03 ppm1      3.017 ppm2      7.232
 ASSI {  131}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   131 weight  0.11000E+01 volume  0.43000E-02 ppm1      4.267 ppm2      6.937
 ASSI {  132}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   132 weight  0.11000E+01 volume  0.27370E-02 ppm1      2.715 ppm2      6.937
 ASSI {  133}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak   133 weight  0.11000E+01 volume  0.75907E-03 ppm1      2.640 ppm2      6.937
 ASSI {  134}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     2.600     3.400 peak   134 weight  0.11000E+01 volume  0.35571E-02 ppm1      2.208 ppm2      6.937
 ASSI {  135}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     2.800     3.200 peak   135 weight  0.11000E+01 volume  0.20977E-02 ppm1      2.103 ppm2      6.937
 ASSI {  137}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak   137 weight  0.11000E+01 volume  0.23785E-02 ppm1      4.138 ppm2      8.035
 ASSI {  138}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak   138 weight  0.11000E+01 volume  0.55408E-02 ppm1      1.909 ppm2      8.035
 ASSI {  139}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 34   and name HN  ))
      2.500     2.500     3.500 peak   139 weight  0.11000E+01 volume  0.42529E-02 ppm1      0.798 ppm2      8.035
 ASSI {  142}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.600     0.600 peak   142 weight  0.11000E+01 volume  0.83388E-02 ppm1      4.405 ppm2      7.955
 ASSI {  143}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   143 weight  0.11000E+01 volume  0.25742E-02 ppm1      2.218 ppm2      7.955
 ASSI {  144}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      2.700     2.700     3.300 peak   144 weight  0.11000E+01 volume  0.29701E-02 ppm1      1.000 ppm2      7.955
 ASSI {  145}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   145 weight  0.11000E+01 volume  0.29701E-02 ppm1      1.013 ppm2      7.955
 ASSI {  151}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   151 weight  0.11000E+01 volume  0.30777E-02 ppm1      4.754 ppm2      8.236
 ASSI {  152}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      4.000     2.000     2.000 peak   152 weight  0.11000E+01 volume  0.26283E-03 ppm1      2.620 ppm2      8.237
 ASSI {  154}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak   154 weight  0.11000E+01 volume  0.23008E-02 ppm1      3.858 ppm2      8.823
 ASSI {  155}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak   155 weight  0.11000E+01 volume  0.30996E-02 ppm1      3.331 ppm2      8.823
 ASSI {  156}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak   156 weight  0.11000E+01 volume  0.35307E-02 ppm1      2.804 ppm2      8.823
 ASSI {  158}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak   158 weight  0.11000E+01 volume  0.18991E-02 ppm1      4.877 ppm2      7.245
 ASSI {  159}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak   159 weight  0.11000E+01 volume  0.19722E-02 ppm1      1.913 ppm2      7.245
 ASSI {  160}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   160 weight  0.11000E+01 volume  0.28706E-02 ppm1      1.858 ppm2      7.245
 ASSI {  161}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak   161 weight  0.11000E+01 volume  0.29914E-03 ppm1      2.442 ppm2      7.245
 ASSI {  162}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HN  ))
      4.100     2.100     1.900 peak   162 weight  0.11000E+01 volume  0.23244E-03 ppm1      2.124 ppm2      7.245
 ASSI {  164}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak   164 weight  0.11000E+01 volume  0.38932E-03 ppm1      4.437 ppm2      9.084
 ASSI {  165}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.600     1.600 peak   165 weight  0.11000E+01 volume  0.55247E-03 ppm1      2.720 ppm2      9.084
 ASSI {  166}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak   166 weight  0.11000E+01 volume  0.42759E-03 ppm1      2.639 ppm2      9.084
 ASSI {  169}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HN  ))
      3.100     1.200     1.200 peak   169 weight  0.11000E+01 volume  0.13668E-02 ppm1      3.858 ppm2      8.731
 ASSI {  171}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   171 weight  0.11000E+01 volume  0.28447E-02 ppm1      3.783 ppm2      6.835
 ASSI {  172}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak   172 weight  0.11000E+01 volume  0.45037E-02 ppm1      1.804 ppm2      6.835
 ASSI {  173}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak   173 weight  0.11000E+01 volume  0.11723E-02 ppm1      0.899 ppm2      6.835
 ASSI {  174}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   174 weight  0.11000E+01 volume  0.25557E-02 ppm1      1.339 ppm2      6.835
 ASSI {  175}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.000     1.000 peak   175 weight  0.11000E+01 volume  0.19590E-02 ppm1      1.205 ppm2      6.835
 ASSI {  176}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.400     1.400 peak   176 weight  0.11000E+01 volume  0.80281E-03 ppm1      0.637 ppm2      6.835
 ASSI {  178}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.000     1.000 peak   178 weight  0.11000E+01 volume  0.19797E-02 ppm1      3.960 ppm2      8.013
 ASSI {  179}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   179 weight  0.11000E+01 volume  0.27704E-02 ppm1      2.397 ppm2      8.013
 ASSI {  180}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak   180 weight  0.11000E+01 volume  0.12799E-02 ppm1      1.236 ppm2      8.013
 ASSI {  181}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   181 weight  0.11000E+01 volume  0.35622E-02 ppm1      1.522 ppm2      8.013
 ASSI {  182}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak   182 weight  0.11000E+01 volume  0.15907E-02 ppm1      0.933 ppm2      8.013
 ASSI {  183}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak   183 weight  0.11000E+01 volume  0.10526E-02 ppm1      0.636 ppm2      8.013
 ASSI {  185}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   185 weight  0.11000E+01 volume  0.35571E-02 ppm1      3.778 ppm2      8.431
 ASSI {  186}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   186 weight  0.11000E+01 volume  0.51633E-02 ppm1      1.672 ppm2      8.431
 ASSI {  187}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.500     1.500     1.500 peak   187 weight  0.11000E+01 volume  0.61290E-03 ppm1      1.454 ppm2      8.431
 ASSI {  188}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     2.700     3.300 peak   188 weight  0.11000E+01 volume  0.29741E-02 ppm1      1.320 ppm2      8.431
 ASSI {  189}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   189 weight  0.11000E+01 volume  0.13483E-02 ppm1      0.773 ppm2      8.431
 ASSI {  190}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     2.700     3.300 peak   190 weight  0.11000E+01 volume  0.26184E-02 ppm1      1.261 ppm2      8.431
 ASSI {  191}
   (( segid "    " and resid 47   and name HE3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.800     3.800     2.200 peak   191 weight  0.11000E+01 volume  0.39070E-03 ppm1      2.480 ppm2      8.431
 ASSI {  192}
   (( segid "    " and resid 47   and name HE2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     2.800     3.200 peak   192 weight  0.11000E+01 volume  0.22076E-02 ppm1      2.392 ppm2      8.431
 ASSI {  194}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak   194 weight  0.11000E+01 volume  0.25598E-02 ppm1      4.085 ppm2      7.180
 ASSI {  195}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak   195 weight  0.11000E+01 volume  0.31548E-02 ppm1      1.876 ppm2      7.180
 ASSI {  196}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      2.600     0.800     0.800 peak   196 weight  0.11000E+01 volume  0.36774E-02 ppm1      1.773 ppm2      7.180
 ASSI {  197}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak   197 weight  0.11000E+01 volume  0.56001E-02 ppm1      1.669 ppm2      7.180
 ASSI {  198}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.200     1.200 peak   198 weight  0.11000E+01 volume  0.13944E-02 ppm1      1.421 ppm2      7.180
 ASSI {  199}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     2.400     3.600 peak   199 weight  0.11000E+01 volume  0.56001E-02 ppm1      1.665 ppm2      7.180
 ASSI {  202}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.100     1.100 peak   202 weight  0.11000E+01 volume  0.18335E-02 ppm1      3.454 ppm2      9.036
 ASSI {  203}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   203 weight  0.11000E+01 volume  0.19825E-02 ppm1      2.523 ppm2      9.036
 ASSI {  204}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak   204 weight  0.11000E+01 volume  0.83849E-03 ppm1      2.003 ppm2      9.036
 ASSI {  205}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   205 weight  0.11000E+01 volume  0.25966E-02 ppm1      2.276 ppm2      9.036
 ASSI {  206}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     2.800     3.200 peak   206 weight  0.11000E+01 volume  0.24228E-02 ppm1      1.863 ppm2      9.036
 ASSI {  208}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak   208 weight  0.11000E+01 volume  0.34368E-02 ppm1      3.800 ppm2      8.099
 ASSI {  210}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   210 weight  0.11000E+01 volume  0.56076E-02 ppm1      4.073 ppm2      7.167
 ASSI {  212}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   212 weight  0.11000E+01 volume  0.24412E-02 ppm1      3.883 ppm2      7.841
 ASSI {  213}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   213 weight  0.11000E+01 volume  0.50010E-02 ppm1      1.554 ppm2      7.841
 ASSI {  214}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   214 weight  0.11000E+01 volume  0.23635E-02 ppm1      0.619 ppm2      7.841
 ASSI {  215}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 52   and name HN  ))
      2.800     2.800     3.200 peak   215 weight  0.11000E+01 volume  0.23117E-02 ppm1      1.294 ppm2      7.841
 ASSI {  216}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   216 weight  0.11000E+01 volume  0.20763E-02 ppm1      1.130 ppm2      7.841
 ASSI {  217}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   217 weight  0.11000E+01 volume  0.23635E-02 ppm1      0.610 ppm2      7.841
 ASSI {  219}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   219 weight  0.11000E+01 volume  0.28889E-02 ppm1      3.803 ppm2      8.419
 ASSI {  220}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.000     2.000     2.000 peak   220 weight  0.11000E+01 volume  0.28849E-03 ppm1      1.953 ppm2      8.419
 ASSI {  221}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     6.000     0.000 peak   221 weight  0.11000E+01 volume -0.61174E-04 ppm1      1.201 ppm2      8.419
 ASSI {  222}
   (( segid "    " and resid 53   and name HG  ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak   222 weight  0.11000E+01 volume  0.46488E-03 ppm1      0.735 ppm2      8.419
 ASSI {  223}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak   223 weight  0.11000E+01 volume  0.46488E-03 ppm1      0.733 ppm2      8.419
 ASSI {  224}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.300     1.300 peak   224 weight  0.11000E+01 volume  0.92308E-03 ppm1      0.863 ppm2      8.419
 ASSI {  226}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.000     1.000 peak   226 weight  0.11000E+01 volume  0.20298E-02 ppm1      4.551 ppm2      8.369
 ASSI {  227}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak   227 weight  0.11000E+01 volume  0.16425E-02 ppm1      2.235 ppm2      8.369
 ASSI {  228}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     2.600     3.400 peak   228 weight  0.11000E+01 volume  0.35047E-02 ppm1      1.829 ppm2      8.369
 ASSI {  229}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak   229 weight  0.11000E+01 volume  0.15072E-02 ppm1      2.570 ppm2      8.369
 ASSI {  230}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak   230 weight  0.11000E+01 volume  0.15072E-02 ppm1      2.544 ppm2      8.369
 ASSI {  232}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.900     0.900 peak   232 weight  0.11000E+01 volume  0.33897E-02 ppm1      4.914 ppm2      7.493
 ASSI {  233}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.400     1.400 peak   233 weight  0.11000E+01 volume  0.75907E-03 ppm1      3.111 ppm2      7.493
 ASSI {  234}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.200     1.300     1.300 peak   234 weight  0.11000E+01 volume  0.10934E-02 ppm1      3.039 ppm2      7.493
 ASSI {  237}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak   237 weight  0.11000E+01 volume  0.26939E-03 ppm1      3.853 ppm2      8.579
 ASSI {  240}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak   240 weight  0.11000E+01 volume  0.55408E-02 ppm1      4.224 ppm2      8.144
 ASSI {  241}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      2.200     0.600     0.600 peak   241 weight  0.11000E+01 volume  0.10905E-01 ppm1      1.342 ppm2      8.144
 ASSI {  243}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.800     1.000     1.000 peak   243 weight  0.11000E+01 volume  0.21862E-02 ppm1      3.655 ppm2      8.236
 ASSI {  244}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   244 weight  0.11000E+01 volume  0.30662E-02 ppm1      2.761 ppm2      8.235
 ASSI {  245}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     2.500     3.500 peak   245 weight  0.11000E+01 volume  0.40175E-02 ppm1      2.520 ppm2      8.235
 ASSI {  247}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   247 weight  0.11000E+01 volume  0.56887E-02 ppm1      4.229 ppm2      7.845
 ASSI {  249}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak   249 weight  0.11000E+01 volume  0.31807E-02 ppm1      4.218 ppm2      7.362
 ASSI {  250}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak   250 weight  0.11000E+01 volume  0.20217E-02 ppm1      4.287 ppm2      7.362
 ASSI {  251}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak   251 weight  0.11000E+01 volume  0.42425E-02 ppm1      1.301 ppm2      7.362
 ASSI {  253}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   253 weight  0.11000E+01 volume  0.29367E-02 ppm1      3.906 ppm2      7.393
 ASSI {  254}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak   254 weight  0.11000E+01 volume  0.56812E-02 ppm1      1.636 ppm2      7.393
 ASSI {  255}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   255 weight  0.11000E+01 volume  0.21109E-02 ppm1      1.384 ppm2      7.393
 ASSI {  256}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.300     0.600     0.600 peak   256 weight  0.11000E+01 volume  0.81604E-02 ppm1      1.665 ppm2      7.393
 ASSI {  257}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      2.700     2.700     3.300 peak   257 weight  0.11000E+01 volume  0.25632E-02 ppm1      0.564 ppm2      7.393
 ASSI {  258}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   258 weight  0.11000E+01 volume  0.25632E-02 ppm1      0.571 ppm2      7.393
 ASSI {  261}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     0.700     0.700 peak   261 weight  0.11000E+01 volume  0.57330E-02 ppm1      4.189 ppm2      7.231
 ASSI {  262}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     0.700     0.700 peak   262 weight  0.11000E+01 volume  0.64743E-02 ppm1      3.660 ppm2      7.231
 ASSI {  264}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak   264 weight  0.11000E+01 volume  0.36848E-03 ppm1      4.205 ppm2      8.367
 ASSI {  265}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      4.200     2.200     1.800 peak   265 weight  0.11000E+01 volume  0.20269E-03 ppm1      4.006 ppm2      8.367
 ASSI {  268}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.000     1.000 peak   268 weight  0.11000E+01 volume  0.18962E-02 ppm1      4.433 ppm2      8.227
 ASSI {  269}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak   269 weight  0.11000E+01 volume  0.15924E-02 ppm1      2.113 ppm2      8.227
 ASSI {  270}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak   270 weight  0.11000E+01 volume  0.11838E-02 ppm1      0.942 ppm2      8.227
 ASSI {  271}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   271 weight  0.11000E+01 volume  0.28072E-02 ppm1      0.836 ppm2      8.227
 ASSI {  273}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak   273 weight  0.11000E+01 volume  0.30069E-02 ppm1      4.187 ppm2      8.941
 ASSI {  274}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     0.800     0.800 peak   274 weight  0.11000E+01 volume  0.35727E-02 ppm1      2.137 ppm2      8.940
 ASSI {  275}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     0.800     0.800 peak   275 weight  0.11000E+01 volume  0.35571E-02 ppm1      1.995 ppm2      8.940
 ASSI {  276}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     2.600     3.400 peak   276 weight  0.11000E+01 volume  0.35255E-02 ppm1      2.385 ppm2      8.940
 ASSI {  278}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak   278 weight  0.11000E+01 volume  0.22490E-02 ppm1      4.190 ppm2      8.900
 ASSI {  279}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HN  ))
      3.300     1.300     1.300 peak   279 weight  0.11000E+01 volume  0.93344E-03 ppm1      2.644 ppm2      8.900
 ASSI {  280}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     1.500     1.500 peak   280 weight  0.11000E+01 volume  0.58182E-03 ppm1      2.480 ppm2      8.900
 ASSI {  282}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak   282 weight  0.11000E+01 volume  0.24487E-02 ppm1      3.757 ppm2      8.486
 ASSI {  283}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak   283 weight  0.11000E+01 volume  0.19567E-02 ppm1      1.449 ppm2      8.486
 ASSI {  284}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak   284 weight  0.11000E+01 volume  0.16965E-03 ppm1      1.339 ppm2      8.486
 ASSI {  285}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak   285 weight  0.11000E+01 volume  0.23859E-02 ppm1      0.478 ppm2      8.486
 ASSI {  286}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.400     1.400     1.400 peak   286 weight  0.11000E+01 volume  0.76080E-03 ppm1      0.213 ppm2      8.486
 ASSI {  287}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak   287 weight  0.11000E+01 volume  0.27670E-02 ppm1      1.231 ppm2      8.486
 ASSI {  288}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 69   and name HN  ))
      3.400     1.400     1.400 peak   288 weight  0.11000E+01 volume  0.76080E-03 ppm1      0.208 ppm2      8.486
 ASSI {  289}
   (( segid "    " and resid 69   and name HE2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak   289 weight  0.11000E+01 volume  0.17012E-03 ppm1      2.750 ppm2      8.486
 ASSI {  291}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.100     1.100 peak   291 weight  0.11000E+01 volume  0.17028E-02 ppm1      4.349 ppm2      6.826
 ASSI {  292}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.000     1.000 peak   292 weight  0.11000E+01 volume  0.19146E-02 ppm1      3.128 ppm2      6.826
 ASSI {  293}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   293 weight  0.11000E+01 volume  0.28406E-02 ppm1      2.720 ppm2      6.826
 ASSI {  295}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.900     0.900 peak   295 weight  0.11000E+01 volume  0.35047E-02 ppm1      3.129 ppm2      7.634
 ASSI {  296}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.900     0.900 peak   296 weight  0.11000E+01 volume  0.33269E-02 ppm1      1.814 ppm2      7.634
 ASSI {  297}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HN  ))
      3.000     1.100     1.100 peak   297 weight  0.11000E+01 volume  0.16425E-02 ppm1      1.618 ppm2      7.634
 ASSI {  298}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.400     1.400     1.400 peak   298 weight  0.11000E+01 volume  0.72742E-03 ppm1      1.460 ppm2      7.634
 ASSI {  299}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.300     3.300     2.700 peak   299 weight  0.11000E+01 volume  0.84194E-03 ppm1      3.202 ppm2      7.634
 ASSI {  301}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak   301 weight  0.11000E+01 volume  0.30921E-02 ppm1      4.020 ppm2      7.949
 ASSI {  302}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak   302 weight  0.11000E+01 volume  0.28665E-02 ppm1      1.905 ppm2      7.949
 ASSI {  303}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.300     2.300     3.700 peak   303 weight  0.11000E+01 volume  0.74411E-02 ppm1      1.681 ppm2      7.949
 ASSI {  304}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.300     2.300     3.700 peak   304 weight  0.11000E+01 volume  0.74411E-02 ppm1      1.680 ppm2      7.949
 ASSI {  305}
   (( segid "    " and resid 72   and name HG3 ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak   305 weight  0.11000E+01 volume  0.20010E-02 ppm1      1.559 ppm2      7.949
 ASSI {  306}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak   306 weight  0.11000E+01 volume  0.16137E-02 ppm1      3.124 ppm2      7.949
 ASSI {  307}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak   307 weight  0.11000E+01 volume  0.60023E-03 ppm1      3.052 ppm2      7.949
 ASSI {  309}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak   309 weight  0.11000E+01 volume  0.16217E-02 ppm1      4.553 ppm2      7.336
 ASSI {  310}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak   310 weight  0.11000E+01 volume  0.14940E-02 ppm1      2.106 ppm2      7.336
 ASSI {  311}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak   311 weight  0.11000E+01 volume  0.43364E-02 ppm1      1.829 ppm2      7.336
 ASSI {  312}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak   312 weight  0.11000E+01 volume  0.10307E-02 ppm1      1.421 ppm2      7.336
 ASSI {  313}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak   313 weight  0.11000E+01 volume  0.35554E-03 ppm1      1.233 ppm2      7.336
 ASSI {  315}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   315 weight  0.11000E+01 volume  0.29741E-02 ppm1      4.308 ppm2      7.441
 ASSI {  316}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak   316 weight  0.11000E+01 volume  0.58469E-02 ppm1      2.561 ppm2      7.441
 ASSI {  317}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HN  ))
      2.400     2.400     3.600 peak   317 weight  0.11000E+01 volume  0.55926E-02 ppm1      2.505 ppm2      7.441
 ASSI {  319}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.800     1.000     1.000 peak   319 weight  0.11000E+01 volume  0.21995E-02 ppm1      3.779 ppm2      8.210
 ASSI {  320}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     2.600     3.400 peak   320 weight  0.11000E+01 volume  0.38345E-02 ppm1      1.661 ppm2      8.210
 ASSI {  321}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.800     1.000     1.000 peak   321 weight  0.11000E+01 volume  0.23560E-02 ppm1      1.050 ppm2      8.210
 ASSI {  322}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak   322 weight  0.11000E+01 volume  0.10986E-02 ppm1      0.363 ppm2      8.210
 ASSI {  323}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.600     1.600 peak   323 weight  0.11000E+01 volume  0.56162E-03 ppm1      1.377 ppm2      8.210
 ASSI {  324}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.600     1.600 peak   324 weight  0.11000E+01 volume  0.56427E-03 ppm1      1.418 ppm2      8.210
 ASSI {  325}
   (( segid "    " and resid 75   and name HE3 ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak   325 weight  0.11000E+01 volume  0.40342E-03 ppm1      2.662 ppm2      8.210
 ASSI {  327}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.900     1.000     1.000 peak   327 weight  0.11000E+01 volume  0.19405E-02 ppm1      4.268 ppm2      7.359
 ASSI {  328}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.200     1.200 peak   328 weight  0.11000E+01 volume  0.13869E-02 ppm1      3.110 ppm2      7.359
 ASSI {  329}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   329 weight  0.11000E+01 volume  0.26633E-02 ppm1      2.732 ppm2      7.357
 ASSI {  331}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.100     1.100 peak   331 weight  0.11000E+01 volume  0.17052E-02 ppm1      4.230 ppm2      8.426
 ASSI {  335}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   335 weight  0.11000E+01 volume  0.50747E-02 ppm1      3.777 ppm2      6.920
 ASSI {  336}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak   336 weight  0.11000E+01 volume  0.32273E-02 ppm1      1.813 ppm2      6.920
 ASSI {  337}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     2.400     3.600 peak   337 weight  0.11000E+01 volume  0.56444E-02 ppm1      1.711 ppm2      6.920
 ASSI {  338}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak   338 weight  0.11000E+01 volume  0.48186E-03 ppm1      1.586 ppm2      6.920
 ASSI {  339}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak   339 weight  0.11000E+01 volume  0.97430E-03 ppm1      1.273 ppm2      6.920
 ASSI {  340}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     2.700     3.300 peak   340 weight  0.11000E+01 volume  0.29224E-02 ppm1      1.380 ppm2      6.920
 ASSI {  341}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak   341 weight  0.11000E+01 volume  0.42828E-03 ppm1      1.226 ppm2      6.920
 ASSI {  342}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 78   and name HN  ))
      3.500     3.500     2.500 peak   342 weight  0.11000E+01 volume  0.65088E-03 ppm1      2.798 ppm2      6.920
 ASSI {  344}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.600     1.600     1.600 peak   344 weight  0.11000E+01 volume  0.50804E-03 ppm1      4.141 ppm2      8.770
 ASSI {  346}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.300     0.700     0.700 peak   346 weight  0.11000E+01 volume  0.77864E-02 ppm1      3.978 ppm2      8.091
 ASSI {  347}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 80   and name HN  ))
      2.300     0.700     0.700 peak   347 weight  0.11000E+01 volume  0.77864E-02 ppm1      3.980 ppm2      8.091
 ASSI {  348}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      3.100     1.200     1.200 peak   348 weight  0.11000E+01 volume  0.11855E-02 ppm1      1.182 ppm2      8.091
 ASSI {  350}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak   350 weight  0.11000E+01 volume  0.21212E-02 ppm1      3.455 ppm2      8.471
 ASSI {  351}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak   351 weight  0.11000E+01 volume  0.63304E-02 ppm1      1.866 ppm2      8.471
 ASSI {  352}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.100     1.100 peak   352 weight  0.11000E+01 volume  0.18283E-02 ppm1      0.713 ppm2      8.471
 ASSI {  353}
   (( segid "    " and resid 81   and name HG12))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.000     1.000 peak   353 weight  0.11000E+01 volume  0.20321E-02 ppm1      1.937 ppm2      8.471
 ASSI {  354}
   (( segid "    " and resid 81   and name HG13))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.100     1.100 peak   354 weight  0.11000E+01 volume  0.18283E-02 ppm1      0.744 ppm2      8.471
 ASSI {  355}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak   355 weight  0.11000E+01 volume  0.12373E-02 ppm1      0.973 ppm2      8.471
 ASSI {  357}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   357 weight  0.11000E+01 volume  0.50010E-02 ppm1      4.105 ppm2      8.138
 ASSI {  359}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   359 weight  0.11000E+01 volume  0.44669E-02 ppm1      4.388 ppm2      7.676
 ASSI {  360}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   360 weight  0.11000E+01 volume  0.85575E-02 ppm1      2.775 ppm2      7.676
 ASSI {  361}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HN  ))
      3.600     1.600     1.600 peak   361 weight  0.11000E+01 volume  0.49694E-03 ppm1      2.701 ppm2      7.676
 ASSI {  363}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak   363 weight  0.11000E+01 volume  0.26968E-02 ppm1      4.023 ppm2      8.390
 ASSI {  364}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     0.700     0.700 peak   364 weight  0.11000E+01 volume  0.60139E-02 ppm1      2.003 ppm2      8.390
 ASSI {  365}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.100     1.100 peak   365 weight  0.11000E+01 volume  0.18542E-02 ppm1      1.398 ppm2      8.390
 ASSI {  366}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     0.700     0.700 peak   366 weight  0.11000E+01 volume  0.60139E-02 ppm1      1.972 ppm2      8.390
 ASSI {  367}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak   367 weight  0.11000E+01 volume  0.16016E-02 ppm1      0.876 ppm2      8.390
 ASSI {  368}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.200     1.200 peak   368 weight  0.11000E+01 volume  0.14111E-02 ppm1      0.943 ppm2      8.390
 ASSI {  370}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.300     0.700     0.700 peak   370 weight  0.11000E+01 volume  0.65894E-02 ppm1      4.026 ppm2      8.783
 ASSI {  371}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      2.300     0.700     0.700 peak   371 weight  0.11000E+01 volume  0.70958E-02 ppm1      3.985 ppm2      8.783
 ASSI {  373}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.400     0.700     0.700 peak   373 weight  0.11000E+01 volume  0.58125E-02 ppm1      4.107 ppm2      7.650
 ASSI {  374}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      2.200     0.600     0.600 peak   374 weight  0.11000E+01 volume  0.93517E-02 ppm1      1.950 ppm2      7.650
 ASSI {  375}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name HN  ))
      3.000     3.000     3.000 peak   375 weight  0.11000E+01 volume  0.15055E-02 ppm1      1.563 ppm2      7.650
 ASSI {  376}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 86   and name HN  ))
      3.400     1.500     1.500 peak   376 weight  0.11000E+01 volume  0.66872E-03 ppm1      1.658 ppm2      7.650
 ASSI {  379}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.400     0.700     0.700 peak   379 weight  0.11000E+01 volume  0.55189E-02 ppm1      4.130 ppm2      7.753
 ASSI {  380}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      2.500     0.800     0.800 peak   380 weight  0.11000E+01 volume  0.48825E-02 ppm1      1.786 ppm2      7.753
 ASSI {  381}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 87   and name HN  ))
      3.000     1.100     1.100 peak   381 weight  0.11000E+01 volume  0.15682E-02 ppm1      1.415 ppm2      7.753
 ASSI {  382}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HN  ))
      3.200     1.300     1.300 peak   382 weight  0.11000E+01 volume  0.95991E-03 ppm1      1.602 ppm2      7.753
 ASSI {  383}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HN  ))
      3.000     1.100     1.100 peak   383 weight  0.11000E+01 volume  0.15774E-02 ppm1      1.536 ppm2      7.753
 ASSI {  384}
   (( segid "    " and resid 87   and name HD3 ))
   (( segid "    " and resid 87   and name HN  ))
      2.500     2.500     3.500 peak   384 weight  0.11000E+01 volume  0.50154E-02 ppm1      1.915 ppm2      7.753
 ASSI {  385}
   (( segid "    " and resid 87   and name HD2 ))
   (( segid "    " and resid 87   and name HN  ))
      3.200     3.200     2.800 peak   385 weight  0.11000E+01 volume  0.11037E-02 ppm1      1.399 ppm2      7.753
 ASSI {  388}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak   388 weight  0.11000E+01 volume  0.27963E-02 ppm1      4.093 ppm2      7.871
 ASSI {  389}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HN  ))
      2.300     0.700     0.700 peak   389 weight  0.11000E+01 volume  0.73260E-02 ppm1      1.906 ppm2      7.871
 ASSI {  390}
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 88   and name HN  ))
      3.500     1.500     1.500 peak   390 weight  0.11000E+01 volume  0.58700E-03 ppm1      1.626 ppm2      7.871
 ASSI {  394}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      3.200     1.300     1.300 peak   394 weight  0.11000E+01 volume  0.10474E-02 ppm1      4.433 ppm2      8.029
 ASSI {  395}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      2.900     1.000     1.000 peak   395 weight  0.11000E+01 volume  0.19331E-02 ppm1      3.903 ppm2      8.029
 ASSI {  397}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      3.000     1.100     1.100 peak   397 weight  0.11000E+01 volume  0.16033E-02 ppm1      4.433 ppm2      8.017
 ASSI {  398}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.900     1.100     1.100 peak   398 weight  0.11000E+01 volume  0.17236E-02 ppm1      3.900 ppm2      8.017
 ASSI {  400}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      3.100     1.200     1.200 peak   400 weight  0.11000E+01 volume  0.12592E-02 ppm1      3.896 ppm2      7.813
 ASSI {  401}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HN  ))
      4.800     2.900     1.200 peak   401 weight  0.11000E+01 volume  0.89201E-04 ppm1      2.450 ppm2      7.813
 ASSI {  402}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      6.000     6.000     0.000 peak   402 weight  0.11000E+01 volume  0.66182E-05 ppm1      2.387 ppm2      7.813
 ASSI {  403}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HN  ))
      3.200     1.300     1.300 peak   403 weight  0.11000E+01 volume  0.10802E-02 ppm1      1.978 ppm2      7.813
 ASSI {  406}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.600     1.600 peak   406 weight  0.11000E+01 volume  0.55183E-03 ppm1      2.243 ppm2      8.191
 ASSI {  407}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   407 weight  0.11000E+01 volume  0.18254E-02 ppm1      8.335 ppm2      8.191
 ASSI {  408}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     3.000     3.000 peak   408 weight  0.11000E+01 volume  0.14077E-02 ppm1      2.029 ppm2      8.191
 ASSI {  409}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   409 weight  0.11000E+01 volume  0.79417E-03 ppm1      8.295 ppm2      8.875
 ASSI {  412}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   412 weight  0.11000E+01 volume  0.36457E-02 ppm1      4.389 ppm2      8.313
 ASSI {  413}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   413 weight  0.11000E+01 volume  0.13075E-02 ppm1      4.187 ppm2      8.391
 ASSI {  414}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.300     1.300 peak   414 weight  0.11000E+01 volume  0.60311E-03 ppm1      8.212 ppm2      8.392
 ASSI {  415}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak   415 weight  0.11000E+01 volume  0.98351E-03 ppm1      8.387 ppm2      8.445
 ASSI {  416}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   416 weight  0.11000E+01 volume  0.17627E-02 ppm1      8.367 ppm2      8.084
 ASSI {  417}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   417 weight  0.11000E+01 volume  0.58355E-03 ppm1      2.763 ppm2      8.366
 ASSI {  418}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   418 weight  0.11000E+01 volume  0.84367E-03 ppm1      2.930 ppm2      8.366
 ASSI {  419}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   419 weight  0.11000E+01 volume  0.71648E-03 ppm1      4.495 ppm2      8.366
 ASSI {  421}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   421 weight  0.11000E+01 volume  0.92826E-03 ppm1      3.996 ppm2      8.084
 ASSI {  422}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak   422 weight  0.11000E+01 volume  0.78382E-03 ppm1      4.551 ppm2      8.084
 ASSI {  423}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     2.600     3.400 peak   423 weight  0.11000E+01 volume  0.33897E-02 ppm1      1.916 ppm2      8.207
 ASSI {  424}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     1.400     1.400 peak   424 weight  0.11000E+01 volume  0.79072E-03 ppm1      1.696 ppm2      8.207
 ASSI {  425}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     3.700     2.300 peak   425 weight  0.11000E+01 volume  0.40733E-03 ppm1      2.926 ppm2      8.207
 ASSI {  426}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak   426 weight  0.11000E+01 volume  0.41516E-03 ppm1      3.987 ppm2      8.207
 ASSI {  427}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   427 weight  0.11000E+01 volume  0.10986E-02 ppm1      4.511 ppm2      8.207
 ASSI {  429}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   429 weight  0.11000E+01 volume  0.23785E-02 ppm1      2.148 ppm2      8.226
 ASSI {  431}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.300     1.300 peak   431 weight  0.11000E+01 volume  0.10422E-02 ppm1      4.145 ppm2      8.226
 ASSI {  432}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   432 weight  0.11000E+01 volume  0.30846E-02 ppm1      4.390 ppm2      8.351
 ASSI {  433}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   433 weight  0.11000E+01 volume  0.11366E-02 ppm1      4.144 ppm2      8.351
 ASSI {  434}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   434 weight  0.11000E+01 volume  0.97142E-03 ppm1      3.819 ppm2      8.351
 ASSI {  435}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     3.700     2.300 peak   435 weight  0.11000E+01 volume  0.45049E-03 ppm1      2.026 ppm2      8.351
 ASSI {  436}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak   436 weight  0.11000E+01 volume  0.42759E-03 ppm1      1.688 ppm2      8.351
 ASSI {  437}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   437 weight  0.11000E+01 volume  0.16425E-02 ppm1      1.458 ppm2      8.351
 ASSI {  438}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   438 weight  0.11000E+01 volume  0.52306E-03 ppm1      0.823 ppm2      8.351
 ASSI {  439}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.400     1.400 peak   439 weight  0.11000E+01 volume  0.47927E-03 ppm1      7.912 ppm2      8.351
 ASSI {  440}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   440 weight  0.11000E+01 volume  0.18571E-02 ppm1      8.717 ppm2      8.351
 ASSI {  443}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      1.700     1.700     4.300 peak   443 weight  0.11000E+01 volume  0.87244E-03 ppm1      8.218 ppm2      8.713
 ASSI {  444}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.600     1.600 peak   444 weight  0.11000E+01 volume  0.25299E-02 ppm1      7.920 ppm2      8.713
 ASSI {  445}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     6.000     0.000 peak   445 weight  0.10000E+01 volume  0.15515E-02 ppm1      6.789 ppm2      8.713
 ASSI {  446}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      1.800     1.800     4.200 peak   446 weight  0.10000E+01 volume  0.52571E-03 ppm1      1.507 ppm2      8.713
 ASSI {  447}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      4.500     2.600     1.500 peak   447 weight  0.11000E+01 volume  0.13150E-02 ppm1      2.965 ppm2      8.713
 ASSI {  448}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     2.500     3.500 peak   448 weight  0.11000E+01 volume  0.21236E-02 ppm1      3.128 ppm2      8.713
 ASSI {  449}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      4.100     2.100     1.900 peak   449 weight  0.11000E+01 volume  0.80799E-03 ppm1      3.993 ppm2      8.713
 ASSI {  451}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     3.000     3.000 peak   451 weight  0.11000E+01 volume  0.42696E-03 ppm1      3.985 ppm2      7.923
 ASSI {  452}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak   452 weight  0.11000E+01 volume  0.10307E-02 ppm1      3.820 ppm2      7.923
 ASSI {  453}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     2.500     3.500 peak   453 weight  0.11000E+01 volume  0.65376E-03 ppm1      3.540 ppm2      7.923
 ASSI {  456}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   456 weight  0.11000E+01 volume  0.26409E-02 ppm1      9.025 ppm2      7.897
 ASSI {  457}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      4.200     2.200     1.800 peak   457 weight  0.11000E+01 volume  0.85805E-03 ppm1      4.013 ppm2      7.897
 ASSI {  458}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.000     2.000     4.000 peak   458 weight  0.11000E+01 volume  0.50085E-03 ppm1      3.821 ppm2      7.897
 ASSI {  459}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak   459 weight  0.11000E+01 volume  0.22467E-02 ppm1      8.174 ppm2      9.031
 ASSI {  461}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      3.200     3.200     2.800 peak   461 weight  0.11000E+01 volume  0.85517E-03 ppm1      0.939 ppm2      9.031
 ASSI {  462}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      2.200     2.200     3.800 peak   462 weight  0.11000E+01 volume  0.38977E-03 ppm1      0.769 ppm2      9.031
 ASSI {  463}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.900     3.000     1.100 peak   463 weight  0.11000E+01 volume  0.21604E-02 ppm1      2.012 ppm2      9.031
 ASSI {  464}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     3.400     2.600 peak   464 weight  0.11000E+01 volume  0.55903E-03 ppm1      1.721 ppm2      7.897
 ASSI {  465}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     3.100     2.900 peak   465 weight  0.11000E+01 volume  0.64167E-03 ppm1      1.912 ppm2      9.031
 ASSI {  466}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     2.800     3.200 peak   466 weight  0.11000E+01 volume  0.70555E-03 ppm1      3.986 ppm2      9.031
 ASSI {  467}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak   467 weight  0.11000E+01 volume  0.10681E-02 ppm1      4.157 ppm2      9.031
 ASSI {  468}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     2.200     3.800 peak   468 weight  0.11000E+01 volume  0.11671E-02 ppm1      3.536 ppm2      9.031
 ASSI {  469}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   469 weight  0.11000E+01 volume  0.27221E-02 ppm1      8.174 ppm2      7.440
 ASSI {  473}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak   473 weight  0.11000E+01 volume  0.25373E-02 ppm1      1.544 ppm2      8.174
 ASSI {  474}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.000     2.000     4.000 peak   474 weight  0.11000E+01 volume  0.92308E-03 ppm1      1.421 ppm2      8.174
 ASSI {  475}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.800     2.900     1.200 peak   475 weight  0.11000E+01 volume  0.10071E-02 ppm1      1.058 ppm2      8.174
 ASSI {  477}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak   477 weight  0.11000E+01 volume  0.55051E-03 ppm1      3.553 ppm2      8.174
 ASSI {  479}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak   479 weight  0.11000E+01 volume  0.15958E-02 ppm1      4.172 ppm2      8.174
 ASSI {  480}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.100     2.100     3.900 peak   480 weight  0.11000E+01 volume  0.11855E-02 ppm1      3.897 ppm2      7.440
 ASSI {  481}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   481 weight  0.11000E+01 volume  0.18071E-02 ppm1      8.588 ppm2      8.299
 ASSI {  483}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   483 weight  0.11000E+01 volume  0.32377E-02 ppm1      7.440 ppm2      8.299
 ASSI {  485}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak   485 weight  0.11000E+01 volume  0.24377E-02 ppm1      7.891 ppm2      8.588
 ASSI {  487}
   (( segid "    " and resid 28   and name HD21))
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.500     1.500 peak   487 weight  0.11000E+01 volume  0.62383E-03 ppm1      7.381 ppm2      7.897
 ASSI {  488}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.300     1.300 peak   488 weight  0.11000E+01 volume  0.46292E-03 ppm1      7.906 ppm2      8.299
 ASSI {  490}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     2.400     3.600 peak   490 weight  0.11000E+01 volume  0.23859E-02 ppm1      2.032 ppm2      8.299
 ASSI {  491}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      5.500     3.800     0.500 peak   491 weight  0.11000E+01 volume  0.12707E-02 ppm1      1.542 ppm2      8.299
 ASSI {  492}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     3.500     2.500 peak   492 weight  0.11000E+01 volume  0.58931E-03 ppm1      1.094 ppm2      8.299
 ASSI {  493}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      2.900     2.900     3.100 peak   493 weight  0.11000E+01 volume  0.70440E-03 ppm1      0.931 ppm2      8.299
 ASSI {  494}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     6.000     0.000 peak   494 weight  0.11000E+01 volume  0.91676E-03 ppm1      0.768 ppm2      8.299
 ASSI {  495}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      2.500     2.500     3.500 peak   495 weight  0.10000E+01 volume  0.47858E-03 ppm1      0.642 ppm2      8.299
 ASSI {  499}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak   499 weight  0.11000E+01 volume  0.30737E-02 ppm1      1.828 ppm2      7.897
 ASSI {  500}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      4.500     2.600     1.500 peak   500 weight  0.11000E+01 volume  0.18387E-02 ppm1      1.499 ppm2      7.897
 ASSI {  501}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
      3.100     3.100     2.900 peak   501 weight  0.11000E+01 volume  0.72569E-03 ppm1      0.806 ppm2      7.897
 ASSI {  502}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      2.400     2.400     3.600 peak   502 weight  0.11000E+01 volume  0.68713E-03 ppm1      0.867 ppm2      7.897
 ASSI {  503}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak   503 weight  0.11000E+01 volume  0.13224E-02 ppm1      3.892 ppm2      8.588
 ASSI {  504}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak   504 weight  0.11000E+01 volume  0.17133E-02 ppm1      4.470 ppm2      8.588
 ASSI {  505}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   505 weight  0.11000E+01 volume  0.13910E-02 ppm1      3.862 ppm2      8.299
 ASSI {  506}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   506 weight  0.11000E+01 volume  0.61922E-03 ppm1      3.963 ppm2      8.588
 ASSI {  507}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.300     1.300 peak   507 weight  0.11000E+01 volume  0.25632E-02 ppm1      4.130 ppm2      7.897
 ASSI {  508}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.300     2.300     3.700 peak   508 weight  0.11000E+01 volume  0.62152E-03 ppm1      3.881 ppm2      7.897
 ASSI {  510}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     1.600     1.600 peak   510 weight  0.11000E+01 volume  0.37769E-02 ppm1      7.895 ppm2      8.558
 ASSI {  511}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.600     2.700     1.400 peak   511 weight  0.11000E+01 volume  0.62613E-03 ppm1      3.967 ppm2      8.558
 ASSI {  512}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.200     2.200     3.800 peak   512 weight  0.11000E+01 volume  0.81834E-03 ppm1      4.143 ppm2      8.558
 ASSI {  513}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak   513 weight  0.11000E+01 volume  0.70440E-03 ppm1      4.263 ppm2      8.558
 ASSI {  514}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.800     0.800 peak   514 weight  0.11000E+01 volume  0.14053E-02 ppm1      2.846 ppm2      8.558
 ASSI {  515}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      4.600     2.600     1.400 peak   515 weight  0.11000E+01 volume  0.11504E-02 ppm1      2.645 ppm2      8.558
 ASSI {  516}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.800     1.800 peak   516 weight  0.11000E+01 volume  0.44722E-03 ppm1      3.981 ppm2      7.910
 ASSI {  517}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     6.000     0.000 peak   517 weight  0.11000E+01 volume  0.65261E-03 ppm1      3.446 ppm2      7.910
 ASSI {  520}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak   520 weight  0.11000E+01 volume  0.14980E-02 ppm1      0.808 ppm2      7.910
 ASSI {  521}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      4.900     3.000     1.100 peak   521 weight  0.11000E+01 volume  0.83561E-03 ppm1     -0.291 ppm2      7.910
 ASSI {  522}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     2.800     3.200 peak   522 weight  0.11000E+01 volume  0.32504E-03 ppm1      3.662 ppm2      8.558
 ASSI {  524}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak   524 weight  0.11000E+01 volume  0.17207E-02 ppm1      4.264 ppm2      7.802
 ASSI {  525}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     2.400     3.600 peak   525 weight  0.11000E+01 volume  0.22364E-02 ppm1      4.144 ppm2      7.802
 ASSI {  526}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.600     1.700     1.700 peak   526 weight  0.11000E+01 volume  0.10255E-02 ppm1      3.662 ppm2      7.802
 ASSI {  527}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak   527 weight  0.11000E+01 volume  0.79591E-03 ppm1      4.687 ppm2      7.231
 ASSI {  528}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      4.300     2.300     1.700 peak   528 weight  0.11000E+01 volume  0.57146E-03 ppm1      3.435 ppm2      7.232
 ASSI {  529}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     2.900     3.100 peak   529 weight  0.11000E+01 volume  0.88165E-03 ppm1      2.838 ppm2      7.232
 ASSI {  530}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.600     1.600 peak   530 weight  0.11000E+01 volume  0.83849E-03 ppm1      2.773 ppm2      7.232
 ASSI {  533}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     0.900     0.900 peak   533 weight  0.11000E+01 volume  0.53941E-03 ppm1      4.674 ppm2      6.937
 ASSI {  539}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   539 weight  0.11000E+01 volume  0.17443E-02 ppm1      8.558 ppm2      7.910
 ASSI {  540}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   540 weight  0.11000E+01 volume  0.27853E-02 ppm1      7.802 ppm2      7.910
 ASSI {  541}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.200     2.200     3.800 peak   541 weight  0.11000E+01 volume  0.76482E-03 ppm1      7.234 ppm2      7.910
 ASSI {  544}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.200     2.200     1.800 peak   544 weight  0.11000E+01 volume  0.38184E-02 ppm1      7.237 ppm2      7.802
 ASSI {  545}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      1.900     1.900     4.100 peak   545 weight  0.11000E+01 volume  0.52766E-03 ppm1      6.937 ppm2      7.802
 ASSI {  548}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   548 weight  0.11000E+01 volume  0.41792E-02 ppm1      6.937 ppm2      7.232
 ASSI {  551}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak   551 weight  0.11000E+01 volume  0.46355E-03 ppm1      8.035 ppm2      6.937
 ASSI {  553}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      1.600     1.600     4.400 peak   553 weight  0.11000E+01 volume  0.44526E-03 ppm1      1.643 ppm2      7.802
 ASSI {  554}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak   554 weight  0.11000E+01 volume  0.38081E-02 ppm1      2.102 ppm2      8.035
 ASSI {  556}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.200     2.200     3.800 peak   556 weight  0.11000E+01 volume  0.63074E-03 ppm1      2.725 ppm2      8.035
 ASSI {  557}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak   557 weight  0.11000E+01 volume  0.11763E-01 ppm1      4.258 ppm2      8.035
 ASSI {  560}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     2.800     3.200 peak   560 weight  0.11000E+01 volume  0.70382E-03 ppm1      4.150 ppm2      6.937
 ASSI {  561}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      5.000     3.200     1.000 peak   561 weight  0.11000E+01 volume  0.84481E-03 ppm1      1.831 ppm2      7.955
 ASSI {  564}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   564 weight  0.11000E+01 volume  0.70267E-03 ppm1      4.134 ppm2      7.955
 ASSI {  565}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     2.500     3.500 peak   565 weight  0.11000E+01 volume  0.75274E-03 ppm1      3.671 ppm2      7.955
 ASSI {  566}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     2.700     3.300 peak   566 weight  0.11000E+01 volume  0.37637E-03 ppm1      8.558 ppm2      7.802
 ASSI {  568}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     1.700     1.700 peak   568 weight  0.11000E+01 volume  0.42500E-03 ppm1      8.258 ppm2      8.823
 ASSI {  570}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      1.700     1.700     4.300 peak   570 weight  0.11000E+01 volume  0.82526E-03 ppm1      4.143 ppm2      8.823
 ASSI {  571}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      5.100     3.200     0.900 peak   571 weight  0.11000E+01 volume  0.62901E-02 ppm1      4.755 ppm2      8.823
 ASSI {  572}
   (( segid "    " and resid 38   and name HA2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     3.100     2.900 peak   572 weight  0.11000E+01 volume  0.46551E-03 ppm1      3.690 ppm2      8.823
 ASSI {  573}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     2.700     3.300 peak   573 weight  0.11000E+01 volume  0.82756E-03 ppm1      2.609 ppm2      8.823
 ASSI {  574}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.100     1.100 peak   574 weight  0.11000E+01 volume  0.12448E-02 ppm1      1.006 ppm2      8.823
 ASSI {  575}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.900     0.900 peak   575 weight  0.11000E+01 volume  0.23117E-02 ppm1      8.824 ppm2      7.245
 ASSI {  579}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.600     2.700     1.400 peak   579 weight  0.11000E+01 volume  0.49757E-03 ppm1      4.467 ppm2      7.245
 ASSI {  580}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     3.000     3.000 peak   580 weight  0.11000E+01 volume  0.39254E-03 ppm1      4.187 ppm2      7.245
 ASSI {  581}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.100     1.100 peak   581 weight  0.11000E+01 volume  0.94955E-03 ppm1      3.864 ppm2      7.245
 ASSI {  582}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.700     2.700     1.300 peak   582 weight  0.11000E+01 volume  0.19354E-02 ppm1      3.330 ppm2      7.245
 ASSI {  583}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 41   and name HN  ))
      6.000     6.000     0.000 peak   583 weight  0.11000E+01 volume  0.47731E-03 ppm1      2.028 ppm2      7.245
 ASSI {  585}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      4.200     4.200     1.800 peak   585 weight  0.11000E+01 volume  0.13334E-02 ppm1      2.803 ppm2      7.245
 ASSI {  586}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      5.100     3.200     0.900 peak   586 weight  0.11000E+01 volume  0.87474E-03 ppm1      4.247 ppm2      9.084
 ASSI {  588}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     1.300     1.300 peak   588 weight  0.11000E+01 volume  0.74641E-03 ppm1      2.645 ppm2      8.731
 ASSI {  589}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     6.000     0.000 peak   589 weight  0.11000E+01 volume  0.65491E-03 ppm1      2.721 ppm2      8.731
 ASSI {  593}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 41   and name HN  ))
      2.500     2.500     3.500 peak   593 weight  0.11000E+01 volume  0.72224E-03 ppm1      0.940 ppm2      7.245
 ASSI {  594}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     6.000     0.000 peak   594 weight  0.11000E+01 volume  0.61692E-03 ppm1      2.397 ppm2      6.835
 ASSI {  595}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     3.000     3.000 peak   595 weight  0.10000E+01 volume  0.52502E-03 ppm1      2.678 ppm2      6.835
 ASSI {  596}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     2.600     3.400 peak   596 weight  0.11000E+01 volume  0.11855E-02 ppm1      3.943 ppm2      6.835
 ASSI {  597}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     2.900     3.100 peak   597 weight  0.11000E+01 volume  0.27594E-02 ppm1      1.546 ppm2      6.835
 ASSI {  598}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.100     2.100     3.900 peak   598 weight  0.11000E+01 volume  0.40227E-03 ppm1      4.437 ppm2      6.835
 ASSI {  601}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.300     2.300     3.700 peak   601 weight  0.11000E+01 volume  0.48059E-03 ppm1      8.431 ppm2      6.835
 ASSI {  602}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak   602 weight  0.11000E+01 volume  0.10175E-02 ppm1      8.731 ppm2      6.835
 ASSI {  603}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak   603 weight  0.11000E+01 volume  0.14571E-02 ppm1      4.437 ppm2      8.013
 ASSI {  604}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     2.400     3.600 peak   604 weight  0.11000E+01 volume  0.98351E-03 ppm1      3.779 ppm2      8.013
 ASSI {  605}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   605 weight  0.11000E+01 volume  0.21523E-02 ppm1      8.431 ppm2      8.013
 ASSI {  606}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak   606 weight  0.11000E+01 volume  0.36618E-02 ppm1      6.835 ppm2      8.013
 ASSI {  607}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.700     1.700 peak   607 weight  0.11000E+01 volume  0.15757E-02 ppm1      3.943 ppm2      8.431
 ASSI {  608}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.000     2.000     4.000 peak   608 weight  0.11000E+01 volume  0.71130E-03 ppm1      4.437 ppm2      8.431
 ASSI {  611}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.000     1.000 peak   611 weight  0.10000E+01 volume  0.11815E-02 ppm1      6.753 ppm2      8.431
 OR {  611}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  612}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.600     2.600     3.400 peak   612 weight  0.11000E+01 volume  0.62210E-03 ppm1      3.942 ppm2      7.180
 ASSI {  613}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.000     2.000     4.000 peak   613 weight  0.11000E+01 volume  0.26559E-02 ppm1      3.781 ppm2      7.180
 ASSI {  614}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.600     0.800     0.800 peak   614 weight  0.11000E+01 volume  0.21212E-02 ppm1      8.431 ppm2      7.180
 ASSI {  616}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.200     1.200 peak   616 weight  0.11000E+01 volume  0.69347E-03 ppm1      1.667 ppm2      9.036
 ASSI {  617}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     5.000     0.000 peak   617 weight  0.11000E+01 volume  0.81086E-03 ppm1      1.423 ppm2      9.036
 ASSI {  618}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     2.800     3.200 peak   618 weight  0.11000E+01 volume  0.83446E-03 ppm1      3.778 ppm2      9.036
 ASSI {  619}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.100     1.100 peak   619 weight  0.11000E+01 volume  0.83158E-03 ppm1      3.944 ppm2      9.036
 ASSI {  620}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     2.400     3.600 peak   620 weight  0.11000E+01 volume  0.78036E-03 ppm1      4.080 ppm2      9.036
 ASSI {  622}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak   622 weight  0.11000E+01 volume  0.23486E-02 ppm1      7.173 ppm2      9.036
 ASSI {  623}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   623 weight  0.11000E+01 volume  0.30069E-02 ppm1      9.027 ppm2      8.099
 ASSI {  624}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak   624 weight  0.11000E+01 volume  0.37660E-02 ppm1      7.157 ppm2      8.099
 ASSI {  625}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   625 weight  0.11000E+01 volume  0.39231E-02 ppm1      7.847 ppm2      7.167
 ASSI {  627}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.300     1.300 peak   627 weight  0.11000E+01 volume  0.54073E-03 ppm1      8.416 ppm2      7.167
 ASSI {  629}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     2.600     3.400 peak   629 weight  0.11000E+01 volume  0.12816E-02 ppm1      3.793 ppm2      7.167
 ASSI {  630}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      6.000     6.000     0.000 peak   630 weight  0.11000E+01 volume  0.10785E-01 ppm1      1.460 ppm2      7.167
 ASSI {  632}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.200     1.200 peak   632 weight  0.10000E+01 volume  0.13242E-02 ppm1      0.827 ppm2      7.167
 OR {  632}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  633}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      2.400     2.400     3.600 peak   633 weight  0.11000E+01 volume  0.49297E-03 ppm1      0.614 ppm2      7.167
 ASSI {  634}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      3.400     1.400     1.400 peak   634 weight  0.11000E+01 volume  0.93632E-03 ppm1      0.571 ppm2      9.036
 ASSI {  635}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak   635 weight  0.11000E+01 volume  0.86726E-03 ppm1      3.975 ppm2      8.099
 ASSI {  636}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.000     1.100     1.100 peak   636 weight  0.11000E+01 volume  0.62326E-03 ppm1      4.073 ppm2      8.099
 ASSI {  637}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak   637 weight  0.11000E+01 volume  0.88683E-03 ppm1      3.453 ppm2      8.099
 ASSI {  638}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   638 weight  0.11000E+01 volume  0.23193E-02 ppm1      2.276 ppm2      8.099
 ASSI {  639}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 50   and name HN  ))
      2.200     2.200     3.800 peak   639 weight  0.11000E+01 volume  0.18203E-02 ppm1      1.888 ppm2      8.099
 ASSI {  640}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      6.000     6.000     0.000 peak   640 weight  0.11000E+01 volume  0.73835E-02 ppm1      1.460 ppm2      8.099
 ASSI {  641}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   641 weight  0.10000E+01 volume  0.23158E-02 ppm1      0.766 ppm2      8.099
 ASSI {  642}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   642 weight  0.11000E+01 volume  0.15665E-02 ppm1      4.067 ppm2      7.841
 ASSI {  643}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.000     2.000     4.000 peak   643 weight  0.11000E+01 volume  0.14629E-02 ppm1      3.453 ppm2      7.841
 ASSI {  645}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak   645 weight  0.11000E+01 volume  0.34679E-02 ppm1      8.416 ppm2      7.841
 ASSI {  647}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   647 weight  0.11000E+01 volume  0.36509E-02 ppm1      1.429 ppm2      7.841
 ASSI {  649}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 53   and name HN  ))
      3.200     3.200     2.800 peak   649 weight  0.11000E+01 volume  0.41976E-03 ppm1      1.111 ppm2      8.419
 ASSI {  650}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.800     1.800 peak   650 weight  0.11000E+01 volume  0.67332E-03 ppm1      0.631 ppm2      8.419
 ASSI {  651}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      2.100     2.100     3.900 peak   651 weight  0.11000E+01 volume  0.77748E-03 ppm1      1.411 ppm2      8.419
 ASSI {  652}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   652 weight  0.11000E+01 volume  0.19929E-02 ppm1      1.560 ppm2      8.419
 ASSI {  654}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      2.200     2.200     3.800 peak   654 weight  0.11000E+01 volume  0.70267E-03 ppm1      1.043 ppm2      8.369
 ASSI {  655}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.600     1.600     1.600 peak   655 weight  0.11000E+01 volume  0.75965E-02 ppm1      4.002 ppm2      8.369
 ASSI {  656}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.400     1.400 peak   656 weight  0.11000E+01 volume  0.33793E-02 ppm1      7.493 ppm2      8.369
 ASSI {  657}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak   657 weight  0.11000E+01 volume  0.13628E-02 ppm1      4.000 ppm2      7.493
 ASSI {  658}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.100     1.200     1.200 peak   658 weight  0.11000E+01 volume  0.20925E-02 ppm1      4.554 ppm2      7.493
 ASSI {  660}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.200     3.200     2.800 peak   660 weight  0.11000E+01 volume  0.54205E-03 ppm1      2.555 ppm2      7.493
 ASSI {  661}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.400     1.400 peak   661 weight  0.11000E+01 volume  0.65088E-03 ppm1      2.227 ppm2      7.493
 ASSI {  663}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.600     0.000 peak   663 weight  0.11000E+01 volume  0.12482E-02 ppm1      1.827 ppm2      7.493
 ASSI {  665}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     6.000     0.000 peak   665 weight  0.11000E+01 volume  0.93632E-03 ppm1      1.040 ppm2      7.493
 ASSI {  668}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      1.500     1.500     4.500 peak   668 weight  0.11000E+01 volume  0.64283E-03 ppm1      6.624 ppm2      7.493
 ASSI {  672}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.500     2.500     1.500 peak   672 weight  0.11000E+01 volume  0.11285E-02 ppm1      8.583 ppm2      8.144
 ASSI {  673}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     2.400     3.600 peak   673 weight  0.10000E+01 volume  0.88395E-03 ppm1      7.850 ppm2      8.144
 ASSI {  674}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.200     1.300     1.300 peak   674 weight  0.11000E+01 volume  0.11647E-02 ppm1      7.487 ppm2      8.144
 ASSI {  675}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     2.600     3.400 peak   675 weight  0.11000E+01 volume  0.43219E-03 ppm1      3.988 ppm2      8.144
 ASSI {  676}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      2.300     2.300     3.700 peak   676 weight  0.11000E+01 volume  0.34523E-02 ppm1      3.855 ppm2      8.144
 ASSI {  677}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     2.400     3.600 peak   677 weight  0.11000E+01 volume  0.47794E-03 ppm1      4.389 ppm2      8.144
 ASSI {  678}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.100     1.200     1.200 peak   678 weight  0.11000E+01 volume  0.13110E-02 ppm1      4.225 ppm2      8.236
 ASSI {  679}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   679 weight  0.11000E+01 volume  0.13927E-02 ppm1      4.390 ppm2      8.236
 ASSI {  680}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.800     0.800 peak   680 weight  0.11000E+01 volume  0.25080E-02 ppm1      7.843 ppm2      8.235
 ASSI {  681}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak   681 weight  0.11000E+01 volume  0.15406E-02 ppm1      6.608 ppm2      8.235
 ASSI {  684}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 61   and name HN  ))
      2.200     2.200     3.800 peak   684 weight  0.11000E+01 volume  0.62038E-03 ppm1      6.600 ppm2      7.845
 ASSI {  685}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     2.800     3.200 peak   685 weight  0.11000E+01 volume  0.44329E-03 ppm1      4.380 ppm2      7.845
 ASSI {  686}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.100     2.100     3.900 peak   686 weight  0.11000E+01 volume  0.91157E-03 ppm1      3.659 ppm2      7.845
 ASSI {  687}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      4.400     2.400     1.600 peak   687 weight  0.11000E+01 volume  0.16505E-02 ppm1      2.760 ppm2      7.845
 ASSI {  688}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     2.700     3.300 peak   688 weight  0.11000E+01 volume  0.13110E-02 ppm1      2.513 ppm2      7.845
 ASSI {  689}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 61   and name HN  ))
      4.700     2.800     1.300 peak   689 weight  0.11000E+01 volume  0.90065E-02 ppm1      1.531 ppm2      7.845
 ASSI {  690}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 61   and name HN  ))
      1.900     1.900     4.100 peak   690 weight  0.11000E+01 volume  0.89833E-03 ppm1      1.313 ppm2      7.845
 ASSI {  692}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.100     1.100 peak   692 weight  0.11000E+01 volume  0.18018E-02 ppm1      1.538 ppm2      7.362
 ASSI {  693}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.900     1.900     1.900 peak   693 weight  0.11000E+01 volume  0.48059E-03 ppm1      1.665 ppm2      7.362
 ASSI {  694}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak   694 weight  0.11000E+01 volume  0.21397E-02 ppm1      7.843 ppm2      7.362
 ASSI {  695}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.600     1.700     1.700 peak   695 weight  0.11000E+01 volume  0.80453E-03 ppm1      3.661 ppm2      7.393
 ASSI {  696}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 63   and name HN  ))
      1.600     1.600     4.400 peak   696 weight  0.11000E+01 volume  0.21523E-02 ppm1      4.190 ppm2      7.393
 ASSI {  698}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.400     1.400 peak   698 weight  0.11000E+01 volume  0.43576E-02 ppm1      7.231 ppm2      7.393
 ASSI {  699}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     2.400     3.600 peak   699 weight  0.11000E+01 volume  0.13702E-02 ppm1      3.904 ppm2      7.231
 ASSI {  700}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      4.700     2.700     1.300 peak   700 weight  0.11000E+01 volume  0.18071E-02 ppm1      1.662 ppm2      7.231
 ASSI {  701}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
      2.000     2.000     4.000 peak   701 weight  0.11000E+01 volume  0.87590E-03 ppm1      1.384 ppm2      7.231
 ASSI {  704}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      2.400     2.400     3.600 peak   704 weight  0.11000E+01 volume  0.18283E-02 ppm1      1.135 ppm2      8.227
 ASSI {  705}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.200     0.600     0.600 peak   705 weight  0.11000E+01 volume  0.11527E-01 ppm1      4.188 ppm2      8.227
 ASSI {  706}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 66   and name HN  ))
      3.700     1.700     1.700 peak   706 weight  0.11000E+01 volume  0.86036E-03 ppm1      3.994 ppm2      8.227
 ASSI {  708}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      1.800     1.800     4.200 peak   708 weight  0.11000E+01 volume  0.15181E-02 ppm1      0.924 ppm2      8.940
 ASSI {  709}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.300     1.400     1.400 peak   709 weight  0.11000E+01 volume  0.10163E-01 ppm1      4.428 ppm2      8.941
 ASSI {  710}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.200     3.200     2.800 peak   710 weight  0.11000E+01 volume  0.69059E-03 ppm1      8.221 ppm2      8.940
 ASSI {  711}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 67   and name HN  ))
      6.000     6.000     0.000 peak   711 weight  0.11000E+01 volume  0.16557E-02 ppm1      7.214 ppm2      8.940
 ASSI {  712}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     6.000     0.000 peak   712 weight  0.11000E+01 volume  0.62901E-03 ppm1      6.798 ppm2      8.940
 ASSI {  715}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.300     1.300 peak   715 weight  0.11000E+01 volume  0.81086E-03 ppm1      8.344 ppm2      8.227
 ASSI {  716}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      5.700     4.100     0.300 peak   716 weight  0.11000E+01 volume  0.52306E-03 ppm1      8.904 ppm2      8.486
 ASSI {  718}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak   718 weight  0.11000E+01 volume  0.17524E-02 ppm1      6.824 ppm2      8.486
 ASSI {  719}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.300     2.300     3.700 peak   719 weight  0.11000E+01 volume  0.79591E-03 ppm1      3.758 ppm2      6.826
 ASSI {  720}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     3.000     3.000 peak   720 weight  0.11000E+01 volume  0.71764E-03 ppm1      4.188 ppm2      6.826
 ASSI {  721}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak   721 weight  0.11000E+01 volume  0.17236E-02 ppm1      7.220 ppm2      6.826
 ASSI {  722}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.200     0.600     0.600 peak   722 weight  0.11000E+01 volume  0.54298E-02 ppm1      7.634 ppm2      6.826
 ASSI {  723}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.400     1.400 peak   723 weight  0.11000E+01 volume  0.44526E-03 ppm1      7.941 ppm2      6.826
 ASSI {  725}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
      4.600     2.700     1.400 peak   725 weight  0.11000E+01 volume  0.58931E-03 ppm1      1.985 ppm2      8.486
 ASSI {  726}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     2.900     3.100 peak   726 weight  0.11000E+01 volume  0.92194E-03 ppm1      2.119 ppm2      8.486
 ASSI {  727}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.300     1.300     1.300 peak   727 weight  0.11000E+01 volume  0.17265E-02 ppm1      2.475 ppm2      8.486
 ASSI {  728}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak   728 weight  0.11000E+01 volume  0.13720E-02 ppm1      2.635 ppm2      8.486
 ASSI {  729}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      3.400     1.400     1.400 peak   729 weight  0.11000E+01 volume  0.10186E-02 ppm1      4.186 ppm2      8.486
 ASSI {  730}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak   730 weight  0.11000E+01 volume  0.48709E-03 ppm1      2.131 ppm2      6.826
 ASSI {  731}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.600     1.600 peak   731 weight  0.11000E+01 volume  0.46488E-03 ppm1      1.986 ppm2      6.826
 ASSI {  732}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak   732 weight  0.11000E+01 volume  0.52438E-03 ppm1      1.444 ppm2      6.826
 ASSI {  733}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     2.900     3.100 peak   733 weight  0.11000E+01 volume  0.94150E-03 ppm1      1.233 ppm2      6.826
 ASSI {  734}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 70   and name HN  ))
      4.000     2.000     2.000 peak   734 weight  0.11000E+01 volume  0.10698E-02 ppm1      0.480 ppm2      6.826
 ASSI {  735}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     3.000     3.000 peak   735 weight  0.11000E+01 volume  0.10986E-02 ppm1      0.195 ppm2      6.826
 ASSI {  736}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      3.100     1.200     1.200 peak   736 weight  0.11000E+01 volume  0.99099E-03 ppm1      0.849 ppm2      7.634
 ASSI {  738}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.100     2.100     3.900 peak   738 weight  0.11000E+01 volume  0.13427E-02 ppm1      2.720 ppm2      7.634
 ASSI {  740}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      3.700     1.700     1.700 peak   740 weight  0.11000E+01 volume  0.18991E-02 ppm1      4.187 ppm2      7.634
 ASSI {  741}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.300     2.300     3.700 peak   741 weight  0.11000E+01 volume  0.74987E-03 ppm1      4.349 ppm2      7.634
 ASSI {  744}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 71   and name HN  ))
      3.200     3.200     2.800 peak   744 weight  0.11000E+01 volume  0.67505E-03 ppm1      7.223 ppm2      7.634
 ASSI {  746}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak   746 weight  0.11000E+01 volume  0.94783E-03 ppm1      3.770 ppm2      7.949
 ASSI {  747}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   747 weight  0.11000E+01 volume  0.64800E-03 ppm1      4.174 ppm2      7.949
 ASSI {  748}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak   748 weight  0.11000E+01 volume  0.31623E-02 ppm1      7.634 ppm2      7.949
 ASSI {  749}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      1.700     1.700     4.300 peak   749 weight  0.11000E+01 volume  0.25080E-02 ppm1      7.323 ppm2      7.949
 ASSI {  751}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.500     1.500     1.500 peak   751 weight  0.11000E+01 volume  0.15866E-02 ppm1      1.703 ppm2      7.336
 ASSI {  752}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     6.000     0.000 peak   752 weight  0.11000E+01 volume  0.95877E-03 ppm1      2.540 ppm2      7.336
 ASSI {  753}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     6.000     0.000 peak   753 weight  0.11000E+01 volume  0.11504E-02 ppm1      4.349 ppm2      7.336
 ASSI {  754}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     6.000     0.000 peak   754 weight  0.11000E+01 volume  0.89316E-03 ppm1      4.019 ppm2      7.336
 ASSI {  755}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     5.700     0.000 peak   755 weight  0.11000E+01 volume  0.56099E-03 ppm1      3.123 ppm2      7.336
 ASSI {  757}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     2.700     3.300 peak   757 weight  0.10000E+01 volume  0.51455E-03 ppm1      6.848 ppm2      7.337
 ASSI {  758}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.300     2.300     3.700 peak   758 weight  0.10000E+01 volume  0.36526E-03 ppm1      7.639 ppm2      7.336
 ASSI {  760}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 74   and name HN  ))
      2.500     2.500     3.500 peak   760 weight  0.10000E+01 volume  0.95301E-03 ppm1      2.033 ppm2      7.441
 ASSI {  761}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 74   and name HN  ))
      4.700     2.700     1.300 peak   761 weight  0.11000E+01 volume  0.10946E-02 ppm1      1.828 ppm2      7.441
 ASSI {  762}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.300     2.300     3.700 peak   762 weight  0.11000E+01 volume  0.58931E-03 ppm1      1.664 ppm2      7.441
 ASSI {  763}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak   763 weight  0.11000E+01 volume  0.45901E-03 ppm1      1.418 ppm2      7.441
 ASSI {  764}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 74   and name HN  ))
      1.400     1.400     4.600 peak   764 weight  0.11000E+01 volume  0.11274E-02 ppm1      3.129 ppm2      7.441
 ASSI {  765}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak   765 weight  0.11000E+01 volume  0.71130E-03 ppm1      4.018 ppm2      7.441
 ASSI {  766}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.900     1.900     1.900 peak   766 weight  0.11000E+01 volume  0.98466E-03 ppm1      4.553 ppm2      7.441
 ASSI {  767}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak   767 weight  0.11000E+01 volume  0.16579E-02 ppm1      8.212 ppm2      7.441
 ASSI {  768}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.300     1.300 peak   768 weight  0.11000E+01 volume  0.40865E-03 ppm1      7.944 ppm2      7.441
 ASSI {  769}
   (  segid "    " and resid 74   and name HD% )
   (( segid "    " and resid 74   and name HN  ))
      1.800     1.800     4.200 peak   769 weight  0.11000E+01 volume  0.19146E-02 ppm1      6.791 ppm2      7.441
 ASSI {  770}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     2.500     3.500 peak   770 weight  0.11000E+01 volume  0.12799E-02 ppm1      2.552 ppm2      8.210
 ASSI {  771}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      4.700     2.800     1.300 peak   771 weight  0.11000E+01 volume  0.46551E-03 ppm1      4.289 ppm2      8.210
 ASSI {  774}
   (  segid "    " and resid 74   and name HD% )
   (( segid "    " and resid 75   and name HN  ))
      2.400     2.400     3.600 peak   774 weight  0.11000E+01 volume  0.32826E-03 ppm1      6.791 ppm2      8.210
 ASSI {  776}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 76   and name HN  ))
      2.300     2.300     3.700 peak   776 weight  0.11000E+01 volume  0.82928E-03 ppm1      1.660 ppm2      7.359
 ASSI {  777}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     2.600     3.400 peak   777 weight  0.11000E+01 volume  0.41843E-03 ppm1      1.416 ppm2      7.359
 ASSI {  778}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 76   and name HN  ))
      4.400     2.500     1.600 peak   778 weight  0.11000E+01 volume  0.11723E-02 ppm1      1.053 ppm2      7.359
 ASSI {  779}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak   779 weight  0.11000E+01 volume  0.17133E-02 ppm1      0.364 ppm2      7.359
 ASSI {  780}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   780 weight  0.11000E+01 volume  0.69173E-03 ppm1      3.780 ppm2      7.359
 ASSI {  781}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      1.900     1.900     4.100 peak   781 weight  0.11000E+01 volume  0.76368E-03 ppm1      6.937 ppm2      7.359
 ASSI {  782}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   782 weight  0.11000E+01 volume  0.31438E-02 ppm1      7.484 ppm2      7.359
 ASSI {  783}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.400     0.700     0.700 peak   783 weight  0.11000E+01 volume  0.10773E-02 ppm1      8.212 ppm2      7.359
 ASSI {  784}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak   784 weight  0.11000E+01 volume  0.24746E-02 ppm1      8.426 ppm2      7.359
 ASSI {  785}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      1.800     1.800     4.200 peak   785 weight  0.11000E+01 volume  0.25707E-02 ppm1      3.437 ppm2      8.419
 ASSI {  789}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   789 weight  0.11000E+01 volume  0.51857E-02 ppm1      8.426 ppm2      6.920
 ASSI {  790}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.200     2.200     3.800 peak   790 weight  0.11000E+01 volume  0.17812E-02 ppm1      4.239 ppm2      6.920
 ASSI {  791}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      1.700     1.700     4.300 peak   791 weight  0.11000E+01 volume  0.11781E-02 ppm1      3.087 ppm2      6.920
 ASSI {  792}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 79   and name HN  ))
      3.600     1.600     1.600 peak   792 weight  0.11000E+01 volume  0.96107E-03 ppm1      1.402 ppm2      8.770
 ASSI {  793}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak   793 weight  0.11000E+01 volume  0.43283E-03 ppm1      8.091 ppm2      8.771
 ASSI {  795}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     6.000     0.000 peak   795 weight  0.11000E+01 volume  0.45308E-03 ppm1      6.913 ppm2      8.771
 ASSI {  798}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.200     2.200     3.800 peak   798 weight  0.10000E+01 volume  0.35093E-03 ppm1      7.671 ppm2      8.091
 ASSI {  799}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      4.100     2.100     1.900 peak   799 weight  0.11000E+01 volume  0.12114E-02 ppm1      4.146 ppm2      8.091
 ASSI {  800}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 80   and name HN  ))
      5.400     3.700     0.600 peak   800 weight  0.11000E+01 volume  0.31180E-02 ppm1      1.392 ppm2      8.091
 ASSI {  801}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 80   and name HN  ))
      4.500     2.500     1.500 peak   801 weight  0.11000E+01 volume  0.70209E-03 ppm1      1.869 ppm2      8.091
 ASSI {  802}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
      6.000     6.000     0.000 peak   802 weight  0.11000E+01 volume  0.38886E-03 ppm1      0.928 ppm2      8.091
 ASSI {  803}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      6.000     6.000     0.000 peak   803 weight  0.11000E+01 volume  0.44854E-03 ppm1      0.713 ppm2      8.091
 ASSI {  805}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      3.700     1.800     1.800 peak   805 weight  0.11000E+01 volume  0.74699E-03 ppm1      1.174 ppm2      8.471
 ASSI {  806}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.200     2.200     3.800 peak   806 weight  0.11000E+01 volume  0.10485E-02 ppm1      3.778 ppm2      8.471
 ASSI {  807}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 81   and name HN  ))
      2.200     2.200     3.800 peak   807 weight  0.11000E+01 volume  0.30962E-02 ppm1      3.983 ppm2      8.471
 ASSI {  808}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.400     1.400     1.400 peak   808 weight  0.11000E+01 volume  0.64627E-03 ppm1      4.144 ppm2      8.471
 ASSI {  809}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.200     2.200     1.800 peak   809 weight  0.11000E+01 volume  0.33689E-02 ppm1      8.095 ppm2      8.471
 ASSI {  810}
   (  segid "    " and resid 82   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.800     0.800 peak   810 weight  0.11000E+01 volume  0.86438E-02 ppm1      1.501 ppm2      8.138
 ASSI {  811}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.200     2.200     1.800 peak   811 weight  0.11000E+01 volume  0.48059E-03 ppm1      0.970 ppm2      8.138
 ASSI {  812}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      3.900     1.900     1.900 peak   812 weight  0.11000E+01 volume  0.13259E-02 ppm1      0.662 ppm2      8.138
 ASSI {  813}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      3.800     1.800     1.800 peak   813 weight  0.11000E+01 volume  0.33585E-02 ppm1      1.865 ppm2      8.138
 ASSI {  814}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     2.500     3.500 peak   814 weight  0.11000E+01 volume  0.50804E-03 ppm1      4.388 ppm2      8.138
 ASSI {  815}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     6.000     0.000 peak   815 weight  0.11000E+01 volume  0.85517E-03 ppm1      3.983 ppm2      8.138
 ASSI {  816}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     6.000     0.000 peak   816 weight  0.11000E+01 volume  0.74353E-03 ppm1      3.775 ppm2      8.138
 ASSI {  817}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     6.000     0.000 peak   817 weight  0.11000E+01 volume  0.85921E-03 ppm1      3.454 ppm2      8.138
 ASSI {  818}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      1.900     1.900     4.100 peak   818 weight  0.10000E+01 volume  0.50608E-03 ppm1      2.765 ppm2      8.138
 OR {  818}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  819}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     6.000     0.000 peak   819 weight  0.11000E+01 volume  0.28331E-02 ppm1      8.471 ppm2      8.138
 ASSI {  820}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     6.000     0.000 peak   820 weight  0.11000E+01 volume  0.32901E-02 ppm1      7.684 ppm2      8.138
 ASSI {  822}
   (  segid "    " and resid 82   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   822 weight  0.11000E+01 volume  0.43259E-02 ppm1      1.502 ppm2      7.676
 ASSI {  823}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.200     2.200     3.800 peak   823 weight  0.11000E+01 volume  0.15366E-02 ppm1      4.125 ppm2      7.676
 ASSI {  824}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.200     1.300     1.300 peak   824 weight  0.11000E+01 volume  0.19170E-02 ppm1      3.980 ppm2      7.676
 ASSI {  826}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     6.000     0.000 peak   826 weight  0.11000E+01 volume  0.34207E-02 ppm1      8.377 ppm2      7.676
 ASSI {  827}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     6.000     0.000 peak   827 weight  0.11000E+01 volume  0.51915E-03 ppm1      8.783 ppm2      7.676
 ASSI {  832}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 13   and name HN  ))
      1.500     1.500     4.500 peak   832 weight  0.10000E+01 volume  0.41912E-03 ppm1      7.480 ppm2      8.390
 ASSI {  833}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.400     1.500     1.500 peak   833 weight  0.11000E+01 volume  0.32066E-02 ppm1      8.376 ppm2      8.783
 ASSI {  835}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak   835 weight  0.11000E+01 volume  0.31957E-02 ppm1      8.790 ppm2      7.650
 ASSI {  836}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      4.300     2.300     1.700 peak   836 weight  0.11000E+01 volume  0.74813E-03 ppm1      4.389 ppm2      8.390
 ASSI {  837}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     2.700     3.300 peak   837 weight  0.11000E+01 volume  0.91906E-03 ppm1      3.455 ppm2      8.390
 ASSI {  838}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.400     1.400 peak   838 weight  0.11000E+01 volume  0.27446E-02 ppm1      2.769 ppm2      8.390
 ASSI {  839}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      4.200     2.200     1.800 peak   839 weight  0.11000E+01 volume  0.53025E-03 ppm1      3.453 ppm2      8.783
 ASSI {  840}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     6.000     0.000 peak   840 weight  0.11000E+01 volume  0.20424E-02 ppm1      1.995 ppm2      8.783
 ASSI {  841}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     6.000     0.000 peak   841 weight  0.11000E+01 volume  0.10514E-02 ppm1      1.388 ppm2      8.783
 ASSI {  842}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 85   and name HN  ))
      3.700     1.700     1.700 peak   842 weight  0.11000E+01 volume  0.97142E-03 ppm1      0.863 ppm2      8.783
 ASSI {  844}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.200     1.200     1.200 peak   844 weight  0.11000E+01 volume  0.12649E-02 ppm1      4.390 ppm2      7.650
 ASSI {  845}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      1.600     1.600     4.400 peak   845 weight  0.11000E+01 volume  0.33585E-02 ppm1      3.983 ppm2      7.650
 ASSI {  846}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      4.100     2.100     1.900 peak   846 weight  0.11000E+01 volume  0.97372E-02 ppm1      1.429 ppm2      7.167
 ASSI {  848}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.500     1.500     1.500 peak   848 weight  0.11000E+01 volume  0.43000E-02 ppm1      1.748 ppm2      7.634
 ASSI {  849}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   849 weight  0.11000E+01 volume  0.26001E-02 ppm1      4.299 ppm2      8.875
 ASSI {  850}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 16   and name HN  ))
      2.500     2.500     3.500 peak   850 weight  0.11000E+01 volume  0.67562E-03 ppm1      0.822 ppm2      8.084
 ASSI {  851}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   851 weight  0.11000E+01 volume  0.50930E-03 ppm1      0.837 ppm2      8.226
 ASSI {  852}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak   852 weight  0.11000E+01 volume  0.24337E-02 ppm1      4.150 ppm2      8.713
 ASSI {  853}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.200     2.200     3.800 peak   853 weight  0.11000E+01 volume  0.10255E-02 ppm1      3.987 ppm2      8.226
 ASSI {  855}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     2.900     3.100 peak   855 weight  0.11000E+01 volume  0.54332E-03 ppm1      3.662 ppm2      6.937
 ASSI {  856}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   856 weight  0.11000E+01 volume  0.11872E-02 ppm1      2.324 ppm2      7.955
 ASSI {  857}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      4.800     2.900     1.200 peak   857 weight  0.11000E+01 volume  0.11872E-02 ppm1      4.461 ppm2      7.955
 ASSI {  858}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     2.600     3.400 peak   858 weight  0.11000E+01 volume  0.49889E-03 ppm1      4.695 ppm2      7.955
 ASSI {  859}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      5.100     3.200     0.900 peak   859 weight  0.11000E+01 volume  0.41912E-03 ppm1      6.960 ppm2      7.955
 ASSI {  861}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.000     1.000 peak   861 weight  0.11000E+01 volume  0.30627E-02 ppm1      3.107 ppm2      8.426
 ASSI {  865}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 60   and name HN  ))
      3.800     1.800     1.800 peak   865 weight  0.11000E+01 volume  0.33638E-02 ppm1      1.344 ppm2      8.236
 ASSI {  866}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 71   and name HN  ))
      1.700     1.700     4.300 peak   866 weight  0.11000E+01 volume  0.10146E-02 ppm1      0.947 ppm2      7.634
 ASSI {  867}
   (  segid "    " and resid 77   and name HD% )
   (( segid "    " and resid 77   and name HN  ))
      2.700     2.700     3.300 peak   867 weight  0.11000E+01 volume  0.33638E-02 ppm1      7.513 ppm2      8.426
 ASSI {  869}
   (( segid "    " and resid 38   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      5.400     3.700     0.600 peak   869 weight  0.11000E+01 volume  0.33240E-03 ppm1      3.670 ppm2      8.237
 ASSI {  870}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.600     1.600 peak   870 weight  0.11000E+01 volume  0.28889E-02 ppm1      3.829 ppm2      8.419
 ASSI {  871}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      5.200     3.400     0.800 peak   871 weight  0.11000E+01 volume  0.97660E-03 ppm1      4.093 ppm2      8.029
 ASSI {  872}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 89   and name HN  ))
      2.600     2.600     3.400 peak   872 weight  0.11000E+01 volume  0.11913E-02 ppm1      1.913 ppm2      8.029
 ASSI {  873}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      6.000     6.000     0.000 peak   873 weight  0.11000E+01 volume  0.34817E-03 ppm1      4.125 ppm2      8.017
 ASSI {  874}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      6.000     6.000     0.000 peak   874 weight  0.11000E+01 volume  0.27446E-02 ppm1      4.093 ppm2      7.813
 ASSI {  875}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      6.000     6.000     0.000 peak   875 weight  0.11000E+01 volume  0.29960E-02 ppm1      4.471 ppm2      7.813
 ASSI {  878}
   (  segid "    " and resid 60   and name HE% )
   (( segid "    " and resid 56   and name HN  ))
      2.600     2.600     3.400 peak   878 weight  0.10000E+01 volume  0.45964E-03 ppm1      6.749 ppm2      7.493
 ASSI {  880}
   (( segid "    " and resid 28   and name HD21))
   (( segid "    " and resid 27   and name HN  ))
      2.700     2.700     3.300 peak   880 weight  0.11000E+01 volume  0.32365E-03 ppm1      7.398 ppm2      8.588
 ASSI {  882}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
      2.400     2.400     3.600 peak   882 weight  0.11000E+01 volume  0.70843E-03 ppm1      0.567 ppm2      7.231
 ASSI {  883}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      1.500     1.500     4.500 peak   883 weight  0.11000E+01 volume  0.11613E-02 ppm1      4.774 ppm2      7.245
 ASSI {  884}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.300     1.300     1.300 peak   884 weight  0.11000E+01 volume  0.43938E-03 ppm1      2.732 ppm2      8.426
 ASSI {  887}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak   887 weight  0.11000E+01 volume  0.27037E-02 ppm1      3.046 ppm2      8.426
 ASSI {  888}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     5.600     0.000 peak   888 weight  0.11000E+01 volume  0.12949E-02 ppm1      3.168 ppm2      8.426
 ASSI {  891}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
      2.100     2.100     3.900 peak   891 weight  0.11000E+01 volume  0.43743E-03 ppm1      0.934 ppm2      8.431
 ASSI {  892}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 47   and name HN  ))
      6.000     6.000     0.000 peak   892 weight  0.11000E+01 volume  0.32273E-03 ppm1      0.632 ppm2      8.431
 ASSI {  893}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     6.000     0.000 peak   893 weight  0.11000E+01 volume  0.95185E-03 ppm1      1.520 ppm2      8.431
 ASSI {  894}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     6.000     0.000 peak   894 weight  0.11000E+01 volume  0.18911E-02 ppm1      1.818 ppm2      8.013
 ASSI {    2}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak     2 weight  0.11000E+01 volume  0.51586E-02 ppm1      4.318 ppm2      2.283
 ASSI {    3}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.200     0.600     0.600 peak     3 weight  0.11000E+01 volume  0.79695E-02 ppm1      2.283 ppm2      1.933
 ASSI {    7}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG3 ))
      2.000     2.000     4.000 peak     7 weight  0.11000E+01 volume  0.15437E-01 ppm1      2.250 ppm2      2.061
 ASSI {   46}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak    46 weight  0.11000E+01 volume  0.56427E-02 ppm1      3.875 ppm2      2.050
 ASSI {   63}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HA1 ))
      2.200     0.600     0.600 peak    63 weight  0.11000E+01 volume  0.77497E-02 ppm1      4.145 ppm2      3.668
 ASSI {   78}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HA  ))
      2.000     2.000     4.000 peak    78 weight  0.11000E+01 volume  0.13013E-01 ppm1      4.752 ppm2      2.606
 ASSI {   90}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 45   and name HG2%)
      2.500     0.800     0.800 peak    90 weight  0.11000E+01 volume  0.42127E-02 ppm1      0.893 ppm2      1.325
 ASSI {  116}
   (( segid "    " and resid 45   and name HG13))
   (  segid "    " and resid 45   and name HG2%)
      2.500     0.800     0.800 peak   116 weight  0.11000E+01 volume  0.39100E-02 ppm1      0.893 ppm2      1.184
 ASSI {  149}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   149 weight  0.11000E+01 volume  0.59014E-02 ppm1      4.171 ppm2      2.628
 ASSI {  217}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG3 ))
      3.200     1.300     1.300 peak   217 weight  0.11000E+01 volume  0.86477E-03 ppm1      2.571 ppm2      4.394
 ASSI {  218}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.000     1.100     1.100 peak   218 weight  0.11000E+01 volume  0.12692E-02 ppm1      2.501 ppm2      4.394
 ASSI {  219}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.500     0.800     0.800 peak   219 weight  0.11000E+01 volume  0.43841E-02 ppm1      2.050 ppm2      4.394
 ASSI {  224}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      2.000     0.500     0.500 peak   224 weight  0.11000E+01 volume  0.14658E-01 ppm1      1.330 ppm2      4.226
 ASSI {  228}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   228 weight  0.11000E+01 volume  0.29222E-02 ppm1      3.811 ppm2      4.386
 ASSI {  233}
   (( segid "    " and resid 80   and name HB  ))
   (  segid "    " and resid 80   and name HG2%)
      2.100     0.600     0.600 peak   233 weight  0.11000E+01 volume  0.10670E-01 ppm1      1.173 ppm2      3.971
 ASSI {  234}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
      2.100     0.500     0.500 peak   234 weight  0.11000E+01 volume  0.11851E-01 ppm1      4.188 ppm2      3.972
 ASSI {  235}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 65   and name HG2%)
      2.000     0.500     0.500 peak   235 weight  0.11000E+01 volume  0.14250E-01 ppm1      1.117 ppm2      3.972
 ASSI {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB  ))
      2.400     0.700     0.700 peak   236 weight  0.11000E+01 volume  0.48351E-02 ppm1      2.108 ppm2      4.427
 ASSI {  237}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HG1%)
      2.300     0.600     0.600 peak   237 weight  0.11000E+01 volume  0.68328E-02 ppm1      0.930 ppm2      4.427
 ASSI {  238}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HG2%)
      2.500     0.800     0.800 peak   238 weight  0.11000E+01 volume  0.37392E-02 ppm1      0.821 ppm2      4.427
 ASSI {  240}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB  ))
      2.400     0.700     0.700 peak   240 weight  0.11000E+01 volume  0.55862E-02 ppm1      2.191 ppm2      4.403
 ASSI {  243}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG1%)
      2.200     0.600     0.600 peak   243 weight  0.11000E+01 volume  0.80574E-02 ppm1      0.977 ppm2      4.403
 ASSI {  247}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      2.300     0.700     0.700 peak   247 weight  0.11000E+01 volume  0.66695E-02 ppm1      1.628 ppm2      4.188
 ASSI {  248}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.400     0.700     0.700 peak   248 weight  0.11000E+01 volume  0.54167E-02 ppm1      1.507 ppm2      4.188
 ASSI {  249}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      2.700     2.700     3.300 peak   249 weight  0.11000E+01 volume  0.23576E-02 ppm1      0.848 ppm2      4.188
 ASSI {  251}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   251 weight  0.11000E+01 volume  0.82459E-02 ppm1      1.690 ppm2      3.972
 ASSI {  253}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG  ))
      2.400     0.700     0.700 peak   253 weight  0.11000E+01 volume  0.56836E-02 ppm1      1.552 ppm2      3.972
 ASSI {  254}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
      2.200     2.200     3.800 peak   254 weight  0.11000E+01 volume  0.93386E-02 ppm1      0.823 ppm2      3.972
 ASSI {  255}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.900     0.900 peak   255 weight  0.11000E+01 volume  0.28336E-02 ppm1      1.627 ppm2      3.890
 ASSI {  256}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG  ))
      2.600     0.800     0.800 peak   256 weight  0.11000E+01 volume  0.30999E-02 ppm1      1.670 ppm2      3.890
 ASSI {  257}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.600     0.800     0.800 peak   257 weight  0.11000E+01 volume  0.34472E-02 ppm1      1.385 ppm2      3.890
 ASSI {  263}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 63   and name HD1%)
      2.400     0.700     0.700 peak   263 weight  0.11000E+01 volume  0.45323E-02 ppm1      0.544 ppm2      1.385
 ASSI {  265}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 63   and name HD1%)
      2.500     0.800     0.800 peak   265 weight  0.11000E+01 volume  0.37957E-02 ppm1      0.544 ppm2      1.627
 ASSI {  268}
   (( segid "    " and resid 63   and name HG  ))
   (  segid "    " and resid 63   and name HD1%)
      2.300     0.600     0.600 peak   268 weight  0.11000E+01 volume  0.68768E-02 ppm1      0.544 ppm2      1.679
 ASSI {  271}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak   271 weight  0.11000E+01 volume  0.14106E-02 ppm1      3.890 ppm2      0.544
 ASSI {  279}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   279 weight  0.11000E+01 volume  0.24487E-02 ppm1      4.002 ppm2      1.369
 ASSI {  281}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
      2.600     0.900     0.900 peak   281 weight  0.11000E+01 volume  0.30352E-02 ppm1      0.934 ppm2      2.018
 ASSI {  283}
   (( segid "    " and resid 84   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
      2.400     0.700     0.700 peak   283 weight  0.11000E+01 volume  0.45669E-02 ppm1      0.857 ppm2      1.369
 ASSI {  286}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.500     0.800     0.800 peak   286 weight  0.11000E+01 volume  0.36651E-02 ppm1      2.002 ppm2      4.002
 ASSI {  287}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
      2.400     0.700     0.700 peak   287 weight  0.11000E+01 volume  0.47095E-02 ppm1      1.932 ppm2      4.002
 ASSI {  290}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
      2.800     1.000     1.000 peak   290 weight  0.11000E+01 volume  0.20662E-02 ppm1      0.857 ppm2      4.002
 ASSI {  291}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.100     1.200     1.200 peak   291 weight  0.11000E+01 volume  0.10947E-02 ppm1      2.394 ppm2      3.959
 ASSI {  293}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HD1%)
      2.800     2.800     3.200 peak   293 weight  0.11000E+01 volume  0.18068E-02 ppm1      0.934 ppm2      3.959
 ASSI {  296}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG  ))
      2.500     0.800     0.800 peak   296 weight  0.11000E+01 volume  0.39502E-02 ppm1      1.498 ppm2      3.959
 ASSI {  297}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   297 weight  0.11000E+01 volume  0.18897E-02 ppm1      3.959 ppm2      1.237
 ASSI {  299}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 46   and name HD1%)
      2.600     0.800     0.800 peak   299 weight  0.11000E+01 volume  0.33222E-02 ppm1      0.934 ppm2      1.237
 ASSI {  300}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 46   and name HD2%)
      2.700     0.900     0.900 peak   300 weight  0.11000E+01 volume  0.24630E-02 ppm1      0.631 ppm2      1.237
 ASSI {  302}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 46   and name HD2%)
      3.000     1.100     1.100 peak   302 weight  0.11000E+01 volume  0.14306E-02 ppm1      0.631 ppm2      2.394
 ASSI {  307}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak   307 weight  0.11000E+01 volume  0.42127E-02 ppm1      2.394 ppm2      0.934
 ASSI {  308}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 46   and name HG  ))
      2.300     0.700     0.700 peak   308 weight  0.11000E+01 volume  0.61194E-02 ppm1      1.498 ppm2      0.934
 ASSI {  314}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG  ))
      2.900     1.000     1.000 peak   314 weight  0.11000E+01 volume  0.16793E-02 ppm1      1.353 ppm2      3.410
 ASSI {  315}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak   315 weight  0.11000E+01 volume  0.19437E-02 ppm1      0.805 ppm2      3.410
 ASSI {  316}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD2%)
      2.200     0.600     0.600 peak   316 weight  0.11000E+01 volume  0.95584E-02 ppm1      0.343 ppm2      3.410
 ASSI {  318}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.800     1.000     1.000 peak   318 weight  0.11000E+01 volume  0.20951E-02 ppm1     -0.287 ppm2      3.410
 ASSI {  320}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
      2.700     0.900     0.900 peak   320 weight  0.11000E+01 volume  0.24430E-02 ppm1      0.111 ppm2      0.805
 ASSI {  322}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 29   and name HD1%)
      2.000     0.500     0.500 peak   322 weight  0.11000E+01 volume  0.13597E-01 ppm1      0.111 ppm2      0.343
 ASSI {  323}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HB3 ))
      2.500     0.800     0.800 peak   323 weight  0.11000E+01 volume  0.34836E-02 ppm1     -0.287 ppm2      0.343
 ASSI {  324}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak   324 weight  0.11000E+01 volume  0.37505E-02 ppm1      0.805 ppm2      0.343
 ASSI {  325}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HG  ))
      2.200     0.600     0.600 peak   325 weight  0.11000E+01 volume  0.89868E-02 ppm1      1.353 ppm2      0.343
 ASSI {  327}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HB3 ))
      2.700     0.900     0.900 peak   327 weight  0.11000E+01 volume  0.24630E-02 ppm1     -0.287 ppm2      0.111
 ASSI {  329}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HG  ))
      2.500     0.800     0.800 peak   329 weight  0.11000E+01 volume  0.39214E-02 ppm1      1.353 ppm2      0.111
 ASSI {  338}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      2.700     0.900     0.900 peak   338 weight  0.11000E+01 volume  0.26276E-02 ppm1      1.802 ppm2      3.778
 ASSI {  340}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG13))
      2.800     2.800     3.200 peak   340 weight  0.11000E+01 volume  0.19720E-02 ppm1      1.184 ppm2      3.778
 ASSI {  346}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      2.600     0.800     0.800 peak   346 weight  0.11000E+01 volume  0.31162E-02 ppm1      0.630 ppm2      1.802
 ASSI {  347}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      2.300     0.700     0.700 peak   347 weight  0.11000E+01 volume  0.61031E-02 ppm1      3.778 ppm2      0.630
 ASSI {  351}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 45   and name HG2%)
      2.100     0.500     0.500 peak   351 weight  0.11000E+01 volume  0.12466E-01 ppm1      0.893 ppm2      0.631
 ASSI {  356}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      2.200     0.600     0.600 peak   356 weight  0.11000E+01 volume  0.82898E-02 ppm1      1.802 ppm2      0.893
 ASSI {  357}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      2.300     0.700     0.700 peak   357 weight  0.11000E+01 volume  0.63995E-02 ppm1      3.778 ppm2      0.893
 ASSI {  358}
   (( segid "    " and resid 45   and name HG13))
   (  segid "    " and resid 45   and name HD1%)
      2.200     0.600     0.600 peak   358 weight  0.11000E+01 volume  0.81830E-02 ppm1      0.630 ppm2      1.184
 ASSI {  359}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 45   and name HD1%)
      2.100     0.600     0.600 peak   359 weight  0.11000E+01 volume  0.97468E-02 ppm1      0.630 ppm2      1.325
 ASSI {  360}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      2.300     0.700     0.700 peak   360 weight  0.11000E+01 volume  0.66758E-02 ppm1      3.868 ppm2      0.597
 ASSI {  361}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
      2.200     0.600     0.600 peak   361 weight  0.11000E+01 volume  0.79570E-02 ppm1      1.549 ppm2      0.597
 ASSI {  362}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HG12))
      2.300     0.700     0.700 peak   362 weight  0.11000E+01 volume  0.65941E-02 ppm1      1.288 ppm2      0.597
 ASSI {  364}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HG13))
      2.400     0.700     0.700 peak   364 weight  0.11000E+01 volume  0.45726E-02 ppm1      1.125 ppm2      0.597
 ASSI {  367}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak   367 weight  0.11000E+01 volume  0.12321E-01 ppm1      0.618 ppm2      1.125
 ASSI {  368}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   368 weight  0.11000E+01 volume  0.18212E-02 ppm1      3.867 ppm2      1.288
 ASSI {  369}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   369 weight  0.11000E+01 volume  0.20235E-02 ppm1      3.867 ppm2      1.125
 ASSI {  373}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   373 weight  0.11000E+01 volume  0.44238E-02 ppm1      3.867 ppm2      0.618
 ASSI {  375}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG12))
      2.100     0.600     0.600 peak   375 weight  0.11000E+01 volume  0.10463E-01 ppm1      1.288 ppm2      0.618
 ASSI {  378}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB  ))
      2.800     1.000     1.000 peak   378 weight  0.11000E+01 volume  0.19324E-02 ppm1      1.846 ppm2      3.451
 ASSI {  379}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 81   and name HD1%)
      2.800     2.800     3.200 peak   379 weight  0.11000E+01 volume  0.18696E-02 ppm1      0.976 ppm2      3.451
 ASSI {  381}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      2.300     0.600     0.600 peak   381 weight  0.11000E+01 volume  0.72410E-02 ppm1      3.451 ppm2      0.657
 ASSI {  383}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 81   and name HD1%)
      2.100     0.500     0.500 peak   383 weight  0.11000E+01 volume  0.12868E-01 ppm1      0.976 ppm2      0.657
 ASSI {  385}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HB  ))
      2.100     0.600     0.600 peak   385 weight  0.11000E+01 volume  0.10432E-01 ppm1      1.860 ppm2      0.657
 ASSI {  387}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HB  ))
      2.200     0.600     0.600 peak   387 weight  0.11000E+01 volume  0.88236E-02 ppm1      1.846 ppm2      0.976
 ASSI {  392}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HG12))
      2.700     0.900     0.900 peak   392 weight  0.11000E+01 volume  0.24982E-02 ppm1      1.889 ppm2      3.451
 ASSI {  394}
   (( segid "    " and resid 81   and name HG13))
   (  segid "    " and resid 81   and name HG2%)
      2.600     0.900     0.900 peak   394 weight  0.11000E+01 volume  0.30433E-02 ppm1      0.657 ppm2      0.719
 ASSI {  395}
   (( segid "    " and resid 81   and name HG12))
   (  segid "    " and resid 81   and name HG2%)
      2.500     0.800     0.800 peak   395 weight  0.11000E+01 volume  0.34917E-02 ppm1      0.657 ppm2      1.889
 ASSI {  398}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.200     1.300     1.300 peak   398 weight  0.11000E+01 volume  0.82144E-03 ppm1      2.714 ppm2      4.119
 ASSI {  399}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
      2.800     1.000     1.000 peak   399 weight  0.11000E+01 volume  0.18696E-02 ppm1      2.522 ppm2      4.119
 ASSI {  400}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     0.600     0.600 peak   400 weight  0.11000E+01 volume  0.69333E-02 ppm1      2.136 ppm2      4.119
 ASSI {  402}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.500     0.800     0.800 peak   402 weight  0.11000E+01 volume  0.36990E-02 ppm1      2.714 ppm2      2.136
 ASSI {  403}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.300     0.700     0.700 peak   403 weight  0.11000E+01 volume  0.57319E-02 ppm1      2.522 ppm2      2.136
 ASSI {  406}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.100     0.500     0.500 peak   406 weight  0.11000E+01 volume  0.12510E-01 ppm1      2.522 ppm2      2.714
 ASSI {  411}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   411 weight  0.11000E+01 volume  0.23545E-02 ppm1      4.256 ppm2      2.763
 ASSI {  413}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      2.800     1.000     1.000 peak   413 weight  0.11000E+01 volume  0.21403E-02 ppm1      2.209 ppm2      4.256
 ASSI {  414}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
      2.500     0.800     0.800 peak   414 weight  0.11000E+01 volume  0.35847E-02 ppm1      2.084 ppm2      4.256
 ASSI {  416}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   416 weight  0.11000E+01 volume  0.35904E-02 ppm1      2.687 ppm2      4.257
 ASSI {  418}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
      2.700     2.700     3.300 peak   418 weight  0.11000E+01 volume  0.26195E-02 ppm1      2.278 ppm2      3.451
 ASSI {  419}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.700     0.900     0.900 peak   419 weight  0.11000E+01 volume  0.26961E-02 ppm1      2.005 ppm2      3.451
 ASSI {  420}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
      2.600     0.800     0.800 peak   420 weight  0.11000E+01 volume  0.31282E-02 ppm1      1.889 ppm2      3.451
 ASSI {  424}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HG2 ))
      2.300     0.600     0.600 peak   424 weight  0.11000E+01 volume  0.73415E-02 ppm1      2.278 ppm2      1.889
 ASSI {  425}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.300     0.700     0.700 peak   425 weight  0.11000E+01 volume  0.61514E-02 ppm1      2.005 ppm2      1.889
 ASSI {  429}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.400     0.700     0.700 peak   429 weight  0.11000E+01 volume  0.48238E-02 ppm1      2.005 ppm2      2.278
 ASSI {  432}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   432 weight  0.11000E+01 volume  0.14269E-02 ppm1      3.451 ppm2      2.518
 ASSI {  433}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG2 ))
      2.700     0.900     0.900 peak   433 weight  0.11000E+01 volume  0.26157E-02 ppm1      2.278 ppm2      2.518
 ASSI {  435}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.200     0.600     0.600 peak   435 weight  0.11000E+01 volume  0.81830E-02 ppm1      2.518 ppm2      2.005
 ASSI {  438}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      2.600     0.800     0.800 peak   438 weight  0.11000E+01 volume  0.31727E-02 ppm1      2.529 ppm2      4.539
 ASSI {  439}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak   439 weight  0.11000E+01 volume  0.39728E-02 ppm1      2.221 ppm2      4.539
 ASSI {  440}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
      2.500     0.800     0.800 peak   440 weight  0.11000E+01 volume  0.35276E-02 ppm1      1.836 ppm2      4.539
 ASSI {  442}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak   442 weight  0.11000E+01 volume  0.24982E-02 ppm1      4.539 ppm2      2.604
 ASSI {  445}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak   445 weight  0.11000E+01 volume  0.53444E-02 ppm1      2.221 ppm2      2.604
 ASSI {  446}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HB3 ))
      2.400     0.700     0.700 peak   446 weight  0.11000E+01 volume  0.50618E-02 ppm1      1.836 ppm2      2.604
 ASSI {  450}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.600     0.900     0.900 peak   450 weight  0.11000E+01 volume  0.28537E-02 ppm1      2.529 ppm2      1.836
 ASSI {  451}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.200     0.600     0.600 peak   451 weight  0.11000E+01 volume  0.91439E-02 ppm1      2.221 ppm2      1.836
 ASSI {  456}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      2.700     0.900     0.900 peak   456 weight  0.11000E+01 volume  0.22747E-02 ppm1      1.546 ppm2      3.867
 ASSI {  459}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.700     0.900     0.900 peak   459 weight  0.11000E+01 volume  0.26439E-02 ppm1      2.756 ppm2      3.666
 ASSI {  460}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.700     0.900     0.900 peak   460 weight  0.11000E+01 volume  0.24229E-02 ppm1      2.521 ppm2      3.666
 ASSI {  469}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.600     0.900     0.900 peak   469 weight  0.11000E+01 volume  0.30315E-02 ppm1      2.553 ppm2      4.276
 ASSI {  470}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.600     0.800     0.800 peak   470 weight  0.11000E+01 volume  0.32293E-02 ppm1      2.508 ppm2      4.276
 ASSI {  480}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.800     0.900     0.900 peak   480 weight  0.11000E+01 volume  0.22031E-02 ppm1      3.144 ppm2      4.358
 ASSI {  481}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak   481 weight  0.11000E+01 volume  0.20034E-02 ppm1      2.695 ppm2      4.358
 ASSI {  488}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 38   and name HA2 ))
      2.000     0.500     0.500 peak   488 weight  0.11000E+01 volume  0.14200E-01 ppm1      3.629 ppm2      4.145
 ASSI {  493}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.100     2.100     3.900 peak   493 weight  0.11000E+01 volume  0.99352E-02 ppm1      4.548 ppm2      2.819
 ASSI {  495}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   495 weight  0.11000E+01 volume  0.49035E-02 ppm1      4.667 ppm2      2.774
 ASSI {  496}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.800     0.800 peak   496 weight  0.11000E+01 volume  0.34152E-02 ppm1      4.667 ppm2      2.850
 ASSI {  501}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.400     0.700     0.700 peak   501 weight  0.11000E+01 volume  0.50618E-02 ppm1      4.483 ppm2      2.928
 ASSI {  502}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   502 weight  0.11000E+01 volume  0.40356E-02 ppm1      4.483 ppm2      2.732
 ASSI {  512}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.300     0.600     0.600 peak   512 weight  0.11000E+01 volume  0.73164E-02 ppm1      3.095 ppm2      4.883
 ASSI {  513}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.200     0.600     0.600 peak   513 weight  0.11000E+01 volume  0.75487E-02 ppm1      3.039 ppm2      4.883
 ASSI {  516}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   516 weight  0.11000E+01 volume  0.52553E-02 ppm1      4.171 ppm2      2.453
 ASSI {  517}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HB3 ))
      1.800     0.400     0.400 peak   517 weight  0.11000E+01 volume  0.33109E-01 ppm1      2.628 ppm2      2.453
 ASSI {  520}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.400     0.700     0.700 peak   520 weight  0.11000E+01 volume  0.44582E-02 ppm1      2.720 ppm2      4.439
 ASSI {  521}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak   521 weight  0.11000E+01 volume  0.47039E-02 ppm1      2.635 ppm2      4.439
 ASSI {  522}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
      2.400     0.700     0.700 peak   522 weight  0.11000E+01 volume  0.50536E-02 ppm1      2.616 ppm2      4.385
 ASSI {  523}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.400     0.700     0.700 peak   523 weight  0.11000E+01 volume  0.47780E-02 ppm1      2.713 ppm2      4.385
 ASSI {  525}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.200     2.200     3.800 peak   525 weight  0.11000E+01 volume  0.89868E-02 ppm1      2.757 ppm2      4.364
 ASSI {  526}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
      2.400     0.700     0.700 peak   526 weight  0.11000E+01 volume  0.44928E-02 ppm1      2.701 ppm2      4.364
 ASSI {  533}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     2.800     3.200 peak   533 weight  0.11000E+01 volume  0.20951E-02 ppm1      4.395 ppm2      2.062
 ASSI {  534}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak   534 weight  0.11000E+01 volume  0.13176E-02 ppm1      4.395 ppm2      1.970
 ASSI {  536}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak   536 weight  0.11000E+01 volume  0.50618E-02 ppm1      4.406 ppm2      2.322
 ASSI {  540}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.500     1.500     1.500 peak   540 weight  0.11000E+01 volume  0.54511E-03 ppm1      2.322 ppm2      3.695
 ASSI {  543}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HB3 ))
      3.400     1.500     1.500 peak   543 weight  0.11000E+01 volume  0.57080E-03 ppm1      1.836 ppm2      3.695
 ASSI {  545}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HD3 ))
      3.100     1.200     1.200 peak   545 weight  0.11000E+01 volume  0.99917E-03 ppm1      3.598 ppm2      4.318
 ASSI {  546}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HD2 ))
      3.400     1.500     1.500 peak   546 weight  0.11000E+01 volume  0.61005E-03 ppm1      3.386 ppm2      4.318
 ASSI {  548}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG3 ))
      2.800     2.800     3.200 peak   548 weight  0.11000E+01 volume  0.20894E-02 ppm1      1.933 ppm2      4.318
 ASSI {  551}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.000     0.500     0.500 peak   551 weight  0.11000E+01 volume  0.15757E-01 ppm1      1.848 ppm2      2.283
 ASSI {  552}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   552 weight  0.11000E+01 volume  0.30515E-02 ppm1      4.318 ppm2      1.848
 ASSI {  553}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HD3 ))
      2.900     1.100     1.100 peak   553 weight  0.11000E+01 volume  0.15983E-02 ppm1      3.598 ppm2      1.848
 ASSI {  554}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HD3 ))
      3.200     1.300     1.300 peak   554 weight  0.11000E+01 volume  0.89178E-03 ppm1      3.598 ppm2      2.283
 ASSI {  556}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HD2 ))
      3.200     1.300     1.300 peak   556 weight  0.11000E+01 volume  0.82646E-03 ppm1      3.367 ppm2      1.848
 ASSI {  561}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HD3 ))
      1.900     0.400     0.400 peak   561 weight  0.11000E+01 volume  0.22024E-01 ppm1      3.598 ppm2      3.367
 ASSI {  563}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HD2 ))
      2.400     0.700     0.700 peak   563 weight  0.10000E+01 volume  0.44985E-02 ppm1      1.918 ppm2      3.367
 ASSI {  567}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.400     0.700     0.700 peak   567 weight  0.11000E+01 volume  0.53281E-02 ppm1      2.314 ppm2      4.234
 ASSI {  568}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak   568 weight  0.11000E+01 volume  0.26759E-02 ppm1      1.530 ppm2      4.234
 ASSI {  569}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG3 ))
      2.800     1.000     1.000 peak   569 weight  0.11000E+01 volume  0.18438E-02 ppm1      1.400 ppm2      4.234
 ASSI {  577}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      2.900     2.900     3.100 peak   577 weight  0.11000E+01 volume  0.16510E-02 ppm1      1.415 ppm2      4.234
 ASSI {  580}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HD2 ))
      2.700     0.900     0.900 peak   580 weight  0.11000E+01 volume  0.23689E-02 ppm1      2.647 ppm2      1.415
 ASSI {  581}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HD3 ))
      2.600     0.900     0.900 peak   581 weight  0.11000E+01 volume  0.29749E-02 ppm1      2.533 ppm2      1.415
 ASSI {  584}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB3 ))
      2.200     0.600     0.600 peak   584 weight  0.11000E+01 volume  0.81642E-02 ppm1      2.314 ppm2      1.530
 ASSI {  588}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HG3 ))
      2.400     0.700     0.700 peak   588 weight  0.11000E+01 volume  0.45550E-02 ppm1      1.400 ppm2      2.314
 ASSI {  591}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG2 ))
      2.400     2.400     3.600 peak   591 weight  0.11000E+01 volume  0.52232E-02 ppm1      1.266 ppm2      4.004
 ASSI {  592}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.600     0.800     0.800 peak   592 weight  0.11000E+01 volume  0.30999E-02 ppm1      1.064 ppm2      4.004
 ASSI {  595}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.300     0.700     0.700 peak   595 weight  0.11000E+01 volume  0.59737E-02 ppm1      1.834 ppm2      1.266
 ASSI {  600}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.900     0.900 peak   600 weight  0.11000E+01 volume  0.29265E-02 ppm1      4.004 ppm2      1.280
 ASSI {  602}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.800     1.000     1.000 peak   602 weight  0.11000E+01 volume  0.21579E-02 ppm1      1.266 ppm2      3.384
 ASSI {  608}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.100     0.600     0.600 peak   608 weight  0.11000E+01 volume  0.98661E-02 ppm1      4.182 ppm2      2.061
 ASSI {  613}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
      2.200     2.200     3.800 peak   613 weight  0.10000E+01 volume  0.81077E-02 ppm1      1.990 ppm2      4.184
 ASSI {  614}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.100     0.600     0.600 peak   614 weight  0.11000E+01 volume  0.98409E-02 ppm1      2.366 ppm2      2.106
 ASSI {  615}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.300     0.600     0.600 peak   615 weight  0.11000E+01 volume  0.71217E-02 ppm1      4.184 ppm2      2.106
 ASSI {  624}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.800     0.800 peak   624 weight  0.11000E+01 volume  0.32858E-02 ppm1      3.538 ppm2      2.064
 ASSI {  627}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.900     0.900 peak   627 weight  0.11000E+01 volume  0.28537E-02 ppm1      3.538 ppm2      2.289
 ASSI {  629}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.000     0.500     0.500 peak   629 weight  0.11000E+01 volume  0.15393E-01 ppm1      2.064 ppm2      2.289
 ASSI {  631}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.700     0.900     0.900 peak   631 weight  0.11000E+01 volume  0.23915E-02 ppm1      2.582 ppm2      2.064
 ASSI {  633}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.300     0.700     0.700 peak   633 weight  0.11000E+01 volume  0.60227E-02 ppm1      2.289 ppm2      1.991
 ASSI {  634}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   634 weight  0.11000E+01 volume  0.40871E-02 ppm1      3.538 ppm2      1.991
 ASSI {  635}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   635 weight  0.11000E+01 volume  0.13722E-02 ppm1      3.538 ppm2      2.582
 ASSI {  637}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.100     0.500     0.500 peak   637 weight  0.11000E+01 volume  0.12478E-01 ppm1      2.289 ppm2      2.582
 ASSI {  639}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.600     0.800     0.800 peak   639 weight  0.11000E+01 volume  0.32249E-02 ppm1      1.991 ppm2      2.582
 ASSI {  641}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.700     0.900     0.900 peak   641 weight  0.11000E+01 volume  0.24034E-02 ppm1      2.148 ppm2      3.875
 ASSI {  644}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.900     0.900 peak   644 weight  0.11000E+01 volume  0.28091E-02 ppm1      3.875 ppm2      2.291
 ASSI {  646}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG3 ))
      2.100     0.500     0.500 peak   646 weight  0.11000E+01 volume  0.11788E-01 ppm1      2.291 ppm2      2.050
 ASSI {  647}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HG3 ))
      2.200     2.200     3.800 peak   647 weight  0.11000E+01 volume  0.85850E-02 ppm1      2.291 ppm2      2.103
 ASSI {  648}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   648 weight  0.11000E+01 volume  0.50053E-02 ppm1      3.875 ppm2      2.103
 ASSI {  649}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HD3 ))
      2.600     2.600     3.400 peak   649 weight  0.11000E+01 volume  0.27852E-02 ppm1      1.626 ppm2      4.107
 ASSI {  650}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
      2.300     0.600     0.600 peak   650 weight  0.11000E+01 volume  0.69207E-02 ppm1      1.541 ppm2      4.107
 ASSI {  651}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG3 ))
      2.400     2.400     3.600 peak   651 weight  0.11000E+01 volume  0.53601E-02 ppm1      1.456 ppm2      4.107
 ASSI {  653}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.000     2.000     4.000 peak   653 weight  0.11000E+01 volume  0.13113E-01 ppm1      1.913 ppm2      4.107
 ASSI {  654}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.400     0.700     0.700 peak   654 weight  0.11000E+01 volume  0.53117E-02 ppm1      1.415 ppm2      4.107
 ASSI {  655}
   (( segid "    " and resid 87   and name HD3 ))
   (( segid "    " and resid 87   and name HE2 ))
      2.400     0.700     0.700 peak   655 weight  0.11000E+01 volume  0.52313E-02 ppm1      2.922 ppm2      1.626
 ASSI {  657}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HE2 ))
      2.800     1.000     1.000 peak   657 weight  0.11000E+01 volume  0.19550E-02 ppm1      2.922 ppm2      1.541
 ASSI {  660}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HE2 ))
      2.700     0.900     0.900 peak   660 weight  0.11000E+01 volume  0.24003E-02 ppm1      2.922 ppm2      1.456
 ASSI {  664}
   (( segid "    " and resid 87   and name HE2 ))
   (( segid "    " and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   664 weight  0.11000E+01 volume  0.10701E-02 ppm1      1.913 ppm2      2.922
 ASSI {  666}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.500     0.800     0.800 peak   666 weight  0.11000E+01 volume  0.37449E-02 ppm1      2.406 ppm2      5.012
 ASSI {  667}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   667 weight  0.11000E+01 volume  0.25271E-02 ppm1      2.017 ppm2      5.012
 ASSI {  668}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG3 ))
      3.000     1.200     1.200 peak   668 weight  0.11000E+01 volume  0.12158E-02 ppm1      1.897 ppm2      5.012
 ASSI {  669}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG2 ))
      3.300     1.400     1.400 peak   669 weight  0.11000E+01 volume  0.71845E-03 ppm1      1.830 ppm2      5.012
 ASSI {  671}
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 35   and name HB3 ))
      2.700     2.700     3.300 peak   671 weight  0.11000E+01 volume  0.23319E-02 ppm1      2.406 ppm2      3.585
 ASSI {  672}
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     2.500     3.500 peak   672 weight  0.11000E+01 volume  0.42473E-02 ppm1      5.012 ppm2      3.585
 ASSI {  677}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.000     0.500     0.500 peak   677 weight  0.11000E+01 volume  0.15870E-01 ppm1      2.017 ppm2      2.406
 ASSI {  679}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HD2 ))
      2.500     0.800     0.800 peak   679 weight  0.11000E+01 volume  0.43157E-02 ppm1      3.585 ppm2      1.830
 ASSI {  683}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 35   and name HD2 ))
      2.500     0.800     0.800 peak   683 weight  0.11000E+01 volume  0.37160E-02 ppm1      3.585 ppm2      1.897
 ASSI {  686}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.000     2.000     4.000 peak   686 weight  0.11000E+01 volume  0.15022E-01 ppm1      1.945 ppm2      4.113
 ASSI {  687}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
      2.400     2.400     3.600 peak   687 weight  0.11000E+01 volume  0.50618E-02 ppm1      1.672 ppm2      4.113
 ASSI {  688}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG3 ))
      2.400     0.700     0.700 peak   688 weight  0.11000E+01 volume  0.51667E-02 ppm1      1.412 ppm2      4.113
 ASSI {  690}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name HD2 ))
      1.900     1.900     4.100 peak   690 weight  0.11000E+01 volume  0.20310E-01 ppm1      1.672 ppm2      1.412
 ASSI {  692}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 86   and name HB2 ))
      2.200     0.600     0.600 peak   692 weight  0.11000E+01 volume  0.83086E-02 ppm1      1.945 ppm2      1.672
 ASSI {  693}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 86   and name HE3 ))
      2.300     0.700     0.700 peak   693 weight  0.11000E+01 volume  0.56992E-02 ppm1      2.926 ppm2      1.672
 ASSI {  696}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HG3 ))
      2.300     0.700     0.700 peak   696 weight  0.11000E+01 volume  0.57966E-02 ppm1      1.412 ppm2      1.945
 ASSI {  699}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.400     0.700     0.700 peak   699 weight  0.11000E+01 volume  0.54167E-02 ppm1      1.830 ppm2      3.762
 ASSI {  700}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.500     0.800     0.800 peak   700 weight  0.11000E+01 volume  0.37844E-02 ppm1      1.711 ppm2      3.762
 ASSI {  701}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG3 ))
      3.100     1.200     1.200 peak   701 weight  0.11000E+01 volume  0.11719E-02 ppm1      1.488 ppm2      3.762
 ASSI {  702}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
      2.900     1.000     1.000 peak   702 weight  0.11000E+01 volume  0.16529E-02 ppm1      1.369 ppm2      3.762
 ASSI {  704}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.800     0.800 peak   704 weight  0.11000E+01 volume  0.33297E-02 ppm1      3.762 ppm2      1.237
 ASSI {  705}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HE3 ))
      2.900     1.000     1.000 peak   705 weight  0.11000E+01 volume  0.16203E-02 ppm1      2.784 ppm2      1.237
 ASSI {  706}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HG3 ))
      2.600     2.600     3.400 peak   706 weight  0.11000E+01 volume  0.32858E-02 ppm1      1.488 ppm2      1.237
 ASSI {  711}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 75   and name HB3 ))
      2.600     0.800     0.800 peak   711 weight  0.10000E+01 volume  0.32939E-02 ppm1      0.342 ppm2      1.632
 ASSI {  715}
   (( segid "    " and resid 75   and name HE3 ))
   (( segid "    " and resid 75   and name HB3 ))
      2.900     2.900     3.100 peak   715 weight  0.11000E+01 volume  0.15279E-02 ppm1      1.632 ppm2      2.625
 ASSI {  718}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HG3 ))
      2.200     0.600     0.600 peak   718 weight  0.11000E+01 volume  0.90308E-02 ppm1      0.345 ppm2      1.023
 ASSI {  719}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HB3 ))
      2.600     0.900     0.900 peak   719 weight  0.11000E+01 volume  0.29102E-02 ppm1      1.632 ppm2      1.023
 ASSI {  720}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HE3 ))
      3.000     1.100     1.100 peak   720 weight  0.11000E+01 volume  0.13402E-02 ppm1      2.625 ppm2      1.023
 ASSI {  722}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 75   and name HE3 ))
      2.900     1.100     1.100 peak   722 weight  0.11000E+01 volume  0.15053E-02 ppm1      2.625 ppm2      0.345
 ASSI {  726}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HG2 ))
      2.400     0.700     0.700 peak   726 weight  0.11000E+01 volume  0.55460E-02 ppm1      1.023 ppm2      1.411
 ASSI {  727}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HG3 ))
      2.500     0.800     0.800 peak   727 weight  0.11000E+01 volume  0.35904E-02 ppm1      0.345 ppm2      1.411
 ASSI {  728}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HE3 ))
      2.500     0.800     0.800 peak   728 weight  0.11000E+01 volume  0.38190E-02 ppm1      2.625 ppm2      1.411
 ASSI {  729}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.400     1.400 peak   729 weight  0.11000E+01 volume  0.73164E-03 ppm1      3.752 ppm2      1.411
 ASSI {  730}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB3 ))
      2.000     0.500     0.500 peak   730 weight  0.11000E+01 volume  0.13496E-01 ppm1      1.632 ppm2      3.752
 ASSI {  735}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak   735 weight  0.11000E+01 volume  0.56107E-02 ppm1      1.230 ppm2      3.753
 ASSI {  737}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
      3.200     1.300     1.300 peak   737 weight  0.11000E+01 volume  0.92632E-03 ppm1      0.198 ppm2      3.753
 ASSI {  741}
   (( segid "    " and resid 69   and name HE2 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.500     0.800     0.800 peak   741 weight  0.11000E+01 volume  0.37216E-02 ppm1      0.198 ppm2      2.500
 ASSI {  742}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
      2.200     0.600     0.600 peak   742 weight  0.11000E+01 volume  0.87106E-02 ppm1      1.436 ppm2      3.753
 ASSI {  744}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HE2 ))
      2.900     1.100     1.100 peak   744 weight  0.11000E+01 volume  0.15279E-02 ppm1      2.500 ppm2      1.230
 ASSI {  745}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HB3 ))
      2.000     0.500     0.500 peak   745 weight  0.11000E+01 volume  0.13270E-01 ppm1      1.436 ppm2      1.230
 ASSI {  755}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak   755 weight  0.11000E+01 volume  0.31325E-02 ppm1      1.230 ppm2      0.198
 ASSI {  756}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HG3 ))
      2.100     0.500     0.500 peak   756 weight  0.11000E+01 volume  0.11336E-01 ppm1      0.467 ppm2      0.198
 ASSI {  757}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
      3.500     1.500     1.500 peak   757 weight  0.11000E+01 volume  0.50373E-03 ppm1      3.753 ppm2      0.467
 ASSI {  758}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HE2 ))
      2.800     1.000     1.000 peak   758 weight  0.11000E+01 volume  0.18012E-02 ppm1      2.500 ppm2      0.467
 ASSI {  759}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak   759 weight  0.11000E+01 volume  0.33297E-02 ppm1      1.230 ppm2      0.467
 ASSI {  761}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HG3 ))
      2.400     0.700     0.700 peak   761 weight  0.11000E+01 volume  0.46410E-02 ppm1      0.467 ppm2      1.238
 ASSI {  762}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.500     0.800     0.800 peak   762 weight  0.11000E+01 volume  0.35791E-02 ppm1      0.198 ppm2      1.238
 ASSI {  763}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HE2 ))
      2.300     0.600     0.600 peak   763 weight  0.11000E+01 volume  0.71029E-02 ppm1      2.500 ppm2      1.238
 ASSI {  764}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     2.700     3.300 peak   764 weight  0.11000E+01 volume  0.25510E-02 ppm1      3.753 ppm2      1.238
 ASSI {  766}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   766 weight  0.11000E+01 volume  0.47780E-02 ppm1      4.102 ppm2      1.775
 ASSI {  769}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HE3 ))
      2.800     1.000     1.000 peak   769 weight  0.11000E+01 volume  0.19468E-02 ppm1      2.838 ppm2      1.667
 ASSI {  770}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   770 weight  0.11000E+01 volume  0.18608E-02 ppm1      4.102 ppm2      1.667
 ASSI {  772}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HG2 ))
      1.800     0.400     0.400 peak   772 weight  0.11000E+01 volume  0.27187E-01 ppm1      1.666 ppm2      1.404
 ASSI {  773}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HE3 ))
      2.800     1.000     1.000 peak   773 weight  0.11000E+01 volume  0.21692E-02 ppm1      2.838 ppm2      1.404
 ASSI {  774}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
      2.300     2.300     3.700 peak   774 weight  0.11000E+01 volume  0.61112E-02 ppm1      4.102 ppm2      1.404
 ASSI {  775}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HE3 ))
      2.600     0.800     0.800 peak   775 weight  0.11000E+01 volume  0.33661E-02 ppm1      2.838 ppm2      1.665
 ASSI {  776}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HB2 ))
      2.200     2.200     3.800 peak   776 weight  0.11000E+01 volume  0.93825E-02 ppm1      1.842 ppm2      1.665
 ASSI {  777}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HB3 ))
      2.100     2.100     3.900 peak   777 weight  0.11000E+01 volume  0.12849E-01 ppm1      1.775 ppm2      1.665
 ASSI {  778}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HG3 ))
      1.900     0.500     0.500 peak   778 weight  0.11000E+01 volume  0.17949E-01 ppm1      1.404 ppm2      1.665
 ASSI {  779}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     2.800     3.200 peak   779 weight  0.11000E+01 volume  0.20894E-02 ppm1      4.102 ppm2      1.665
 ASSI {  780}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HB3 ))
      2.700     0.900     0.900 peak   780 weight  0.11000E+01 volume  0.22747E-02 ppm1      1.775 ppm2      2.838
 ASSI {  785}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.400     0.700     0.700 peak   785 weight  0.11000E+01 volume  0.52960E-02 ppm1      1.842 ppm2      4.102
 ASSI {  786}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HB2 ))
      2.700     2.700     3.300 peak   786 weight  0.11000E+01 volume  0.22175E-02 ppm1      1.842 ppm2      2.838
 ASSI {  787}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
      1.800     0.400     0.400 peak   787 weight  0.11000E+01 volume  0.32060E-01 ppm1      1.842 ppm2      1.775
 ASSI {  789}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HG3 ))
      2.300     2.300     3.700 peak   789 weight  0.11000E+01 volume  0.73541E-02 ppm1      1.404 ppm2      1.775
 ASSI {  794}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
      2.000     2.000     4.000 peak   794 weight  0.11000E+01 volume  0.14112E-01 ppm1      1.666 ppm2      1.842
 ASSI {  795}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG3 ))
      2.300     0.700     0.700 peak   795 weight  0.11000E+01 volume  0.57966E-02 ppm1      1.404 ppm2      1.842
 ASSI {  797}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak   797 weight  0.11000E+01 volume  0.23745E-02 ppm1      1.298 ppm2      3.756
 ASSI {  798}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HD2 ))
      2.800     2.800     3.200 peak   798 weight  0.11000E+01 volume  0.18865E-02 ppm1      1.238 ppm2      3.756
 ASSI {  800}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.400     0.700     0.700 peak   800 weight  0.11000E+01 volume  0.56427E-02 ppm1      1.298 ppm2      1.672
 ASSI {  801}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.400     0.700     0.700 peak   801 weight  0.10000E+01 volume  0.49550E-02 ppm1      1.256 ppm2      1.672
 ASSI {  803}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   803 weight  0.11000E+01 volume  0.66381E-02 ppm1      3.756 ppm2      1.672
 ASSI {  804}
   (( segid "    " and resid 47   and name HE3 ))
   (( segid "    " and resid 47   and name HG3 ))
      3.200     1.300     1.300 peak   804 weight  0.11000E+01 volume  0.93449E-03 ppm1      0.761 ppm2      2.479
 ASSI {  805}
   (( segid "    " and resid 47   and name HE3 ))
   (( segid "    " and resid 47   and name HD2 ))
      2.200     2.200     3.800 peak   805 weight  0.11000E+01 volume  0.74545E-02 ppm1      1.238 ppm2      2.479
 ASSI {  807}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.100     0.600     0.600 peak   807 weight  0.11000E+01 volume  0.10752E-01 ppm1      0.761 ppm2      1.298
 ASSI {  809}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HE3 ))
      3.200     1.300     1.300 peak   809 weight  0.11000E+01 volume  0.91063E-03 ppm1      2.479 ppm2      1.298
 ASSI {  811}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   811 weight  0.11000E+01 volume  0.52797E-02 ppm1      3.756 ppm2      0.761
 ASSI {  813}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HE3 ))
      3.400     1.400     1.400 peak   813 weight  0.11000E+01 volume  0.65879E-03 ppm1      2.479 ppm2      1.674
 ASSI {  814}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.300     0.600     0.600 peak   814 weight  0.11000E+01 volume  0.70087E-02 ppm1      0.761 ppm2      1.238
 ASSI {  815}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HG2 ))
      1.500     1.500     4.500 peak   815 weight  0.11000E+01 volume  0.87859E-01 ppm1      1.298 ppm2      1.238
 ASSI {  822}
   (( segid "    " and resid 47   and name HE2 ))
   (( segid "    " and resid 47   and name HE3 ))
      1.800     0.400     0.400 peak   822 weight  0.11000E+01 volume  0.27482E-01 ppm1      2.479 ppm2      2.367
 ASSI {  823}
   (( segid "    " and resid 47   and name HE2 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak   823 weight  0.11000E+01 volume  0.25472E-02 ppm1      1.298 ppm2      2.367
 ASSI {  824}
   (( segid "    " and resid 47   and name HE2 ))
   (( segid "    " and resid 47   and name HD2 ))
      2.400     0.700     0.700 peak   824 weight  0.11000E+01 volume  0.51667E-02 ppm1      1.238 ppm2      2.367
 ASSI {  825}
   (( segid "    " and resid 47   and name HE2 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.800     1.000     1.000 peak   825 weight  0.11000E+01 volume  0.21208E-02 ppm1      0.761 ppm2      2.367
 ASSI {  832}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     0.600     0.600 peak   832 weight  0.11000E+01 volume  0.72725E-02 ppm1      1.898 ppm2      4.138
 ASSI {  833}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.500     2.500     3.500 peak   833 weight  0.11000E+01 volume  0.35677E-02 ppm1      1.660 ppm2      4.138
 ASSI {  834}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     2.700     3.300 peak   834 weight  0.11000E+01 volume  0.25711E-02 ppm1      4.138 ppm2      3.184
 ASSI {  835}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     0.700     0.700 peak   835 weight  0.11000E+01 volume  0.64245E-02 ppm1      1.897 ppm2      3.184
 ASSI {  840}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.200     0.600     0.600 peak   840 weight  0.11000E+01 volume  0.87671E-02 ppm1      1.901 ppm2      1.660
 ASSI {  841}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.800     1.000     1.000 peak   841 weight  0.11000E+01 volume  0.21548E-02 ppm1      3.184 ppm2      1.660
 ASSI {  845}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.600     0.600 peak   845 weight  0.11000E+01 volume  0.86854E-02 ppm1      4.151 ppm2      2.018
 ASSI {  846}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      1.700     0.400     0.500 peak   846 weight  0.11000E+01 volume  0.36124E-01 ppm1      1.938 ppm2      2.018
 ASSI {  848}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     2.200     3.800 peak   848 weight  0.11000E+01 volume  0.94955E-02 ppm1      4.151 ppm2      1.938
 ASSI {  850}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HD3 ))
      2.600     2.600     3.400 peak   850 weight  0.11000E+01 volume  0.31891E-02 ppm1      3.147 ppm2      1.938
 ASSI {  851}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
      1.900     0.400     0.400 peak   851 weight  0.11000E+01 volume  0.21503E-01 ppm1      1.695 ppm2      1.938
 ASSI {  852}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HD3 ))
      1.700     0.300     0.500 peak   852 weight  0.11000E+01 volume  0.45337E-01 ppm1      3.147 ppm2      3.276
 ASSI {  853}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.900     1.100     1.100 peak   853 weight  0.11000E+01 volume  0.15217E-02 ppm1      2.018 ppm2      3.276
 ASSI {  854}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HB3 ))
      2.700     2.700     3.300 peak   854 weight  0.11000E+01 volume  0.23745E-02 ppm1      1.938 ppm2      3.276
 ASSI {  855}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.200     0.600     0.600 peak   855 weight  0.11000E+01 volume  0.79130E-02 ppm1      1.695 ppm2      3.276
 ASSI {  856}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     2.600     3.400 peak   856 weight  0.11000E+01 volume  0.29994E-02 ppm1      4.151 ppm2      3.276
 ASSI {  857}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   857 weight  0.11000E+01 volume  0.26439E-02 ppm1      4.151 ppm2      3.147
 ASSI {  859}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak   859 weight  0.11000E+01 volume  0.23720E-02 ppm1      2.018 ppm2      3.147
 ASSI {  861}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak   861 weight  0.11000E+01 volume  0.77057E-02 ppm1      2.018 ppm2      1.695
 ASSI {  862}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HD3 ))
      2.400     0.700     0.700 peak   862 weight  0.11000E+01 volume  0.45952E-02 ppm1      3.147 ppm2      1.695
 ASSI {  864}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     2.300     3.700 peak   864 weight  0.11000E+01 volume  0.61194E-02 ppm1      4.151 ppm2      1.695
 ASSI {  865}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   865 weight  0.11000E+01 volume  0.22722E-02 ppm1      3.867 ppm2      1.057
 ASSI {  866}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   866 weight  0.11000E+01 volume  0.18608E-02 ppm1      3.867 ppm2      1.541
 ASSI {  867}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HD3 ))
      3.000     1.100     1.100 peak   867 weight  0.11000E+01 volume  0.13923E-02 ppm1      3.007 ppm2      1.057
 ASSI {  868}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HD2 ))
      2.900     1.100     1.100 peak   868 weight  0.11000E+01 volume  0.14771E-02 ppm1      2.929 ppm2      1.057
 ASSI {  869}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.300     0.600     0.600 peak   869 weight  0.11000E+01 volume  0.73666E-02 ppm1      1.541 ppm2      1.057
 ASSI {  870}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.400     0.700     0.700 peak   870 weight  0.11000E+01 volume  0.49972E-02 ppm1      1.410 ppm2      1.057
 ASSI {  874}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
      1.900     1.900     4.100 peak   874 weight  0.11000E+01 volume  0.17786E-01 ppm1      1.410 ppm2      1.541
 ASSI {  877}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HD3 ))
      1.500     0.300     0.700 peak   877 weight  0.11000E+01 volume  0.81516E-01 ppm1      3.007 ppm2      2.929
 ASSI {  882}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.400     0.700     0.700 peak   882 weight  0.11000E+01 volume  0.55058E-02 ppm1      1.410 ppm2      3.007
 ASSI {  884}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.300     0.600     0.600 peak   884 weight  0.11000E+01 volume  0.71907E-02 ppm1      1.541 ppm2      3.007
 ASSI {  892}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      2.600     0.800     0.800 peak   892 weight  0.11000E+01 volume  0.32249E-02 ppm1      1.410 ppm2      3.867
 ASSI {  895}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.900     1.000     1.000 peak   895 weight  0.11000E+01 volume  0.17811E-02 ppm1      3.013 ppm2      1.860
 ASSI {  898}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      1.800     0.400     0.400 peak   898 weight  0.11000E+01 volume  0.32104E-01 ppm1      1.668 ppm2      1.860
 ASSI {  900}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.400     0.700     0.700 peak   900 weight  0.11000E+01 volume  0.49437E-02 ppm1      1.860 ppm2      4.276
 ASSI {  903}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.100     1.200     1.200 peak   903 weight  0.11000E+01 volume  0.11600E-02 ppm1      2.105 ppm2      4.551
 ASSI {  904}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB3 ))
      2.700     0.900     0.900 peak   904 weight  0.11000E+01 volume  0.22344E-02 ppm1      1.836 ppm2      4.551
 ASSI {  909}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HB2 ))
      1.700     0.400     0.500 peak   909 weight  0.11000E+01 volume  0.33474E-01 ppm1      1.680 ppm2      1.891
 ASSI {  911}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      3.200     1.300     1.300 peak   911 weight  0.11000E+01 volume  0.86477E-03 ppm1      3.092 ppm2      4.015
 ASSI {  912}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD3 ))
      3.500     1.500     1.500 peak   912 weight  0.11000E+01 volume  0.55799E-03 ppm1      3.028 ppm2      4.015
 ASSI {  913}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      2.400     0.700     0.700 peak   913 weight  0.11000E+01 volume  0.55780E-02 ppm1      1.891 ppm2      4.015
 ASSI {  914}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.200     0.600     0.600 peak   914 weight  0.11000E+01 volume  0.92569E-02 ppm1      1.680 ppm2      4.015
 ASSI {  915}
   (( segid "    " and resid 72   and name HG3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   915 weight  0.10000E+01 volume  0.64497E-02 ppm1      1.553 ppm2      4.015
 ASSI {  916}
   (( segid "    " and resid 72   and name HG3 ))
   (( segid "    " and resid 72   and name HG2 ))
      1.800     0.400     0.400 peak   916 weight  0.10000E+01 volume  0.25416E-01 ppm1      1.549 ppm2      1.680
 ASSI {  917}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.200     0.600     0.600 peak   917 weight  0.10000E+01 volume  0.89052E-02 ppm1      1.905 ppm2      1.680
 ASSI {  918}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak   918 weight  0.10000E+01 volume  0.23488E-02 ppm1      3.029 ppm2      1.680
 ASSI {  919}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak   919 weight  0.10000E+01 volume  0.25874E-02 ppm1      3.097 ppm2      1.680
 ASSI {  920}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak   920 weight  0.11000E+01 volume  0.27168E-02 ppm1      4.004 ppm2      1.681
 ASSI {  922}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG3 ))
      2.700     0.900     0.900 peak   922 weight  0.10000E+01 volume  0.27488E-02 ppm1      3.098 ppm2      1.560
 ASSI {  923}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HG3 ))
      2.700     0.900     0.900 peak   923 weight  0.10000E+01 volume  0.22747E-02 ppm1      3.029 ppm2      1.559
 ASSI {  924}
   (( segid "    " and resid 72   and name HG3 ))
   (( segid "    " and resid 72   and name HB3 ))
      2.400     0.700     0.700 peak   924 weight  0.11000E+01 volume  0.46524E-02 ppm1      1.891 ppm2      1.559
 ASSI {  927}
   (( segid "    " and resid 88   and name HD3 ))
   (( segid "    " and resid 88   and name HD2 ))
      1.800     0.400     0.400 peak   927 weight  0.11000E+01 volume  0.32286E-01 ppm1      3.082 ppm2      3.186
 ASSI {  932}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
      2.300     0.700     0.700 peak   932 weight  0.11000E+01 volume  0.58204E-02 ppm1      3.833 ppm2      4.182
 ASSI {  933}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.300     0.600     0.600 peak   933 weight  0.11000E+01 volume  0.69207E-02 ppm1      3.854 ppm2      4.186
 ASSI {  934}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.300     0.600     0.600 peak   934 weight  0.11000E+01 volume  0.68328E-02 ppm1      3.804 ppm2      4.186
 ASSI {  939}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.000     0.500     0.500 peak   939 weight  0.11000E+01 volume  0.12918E-01 ppm1      3.938 ppm2      4.059
 ASSI {  941}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HB3 ))
      2.200     0.600     0.600 peak   941 weight  0.11000E+01 volume  0.80951E-02 ppm1      4.185 ppm2      4.454
 ASSI {  942}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   942 weight  0.11000E+01 volume  0.25428E-02 ppm1      3.971 ppm2      4.454
 ASSI {  944}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   944 weight  0.11000E+01 volume  0.30999E-02 ppm1      3.971 ppm2      4.185
 ASSI {  949}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak   949 weight  0.11000E+01 volume  0.26113E-02 ppm1      4.125 ppm2      1.892
 ASSI {  956}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.500     0.500 peak   956 weight  0.11000E+01 volume  0.11493E-01 ppm1      4.386 ppm2      1.402
 ASSI {  961}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.300     0.700     0.700 peak   961 weight  0.11000E+01 volume  0.62481E-02 ppm1      4.188 ppm2      1.109
 ASSI {  964}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      1.900     0.500     0.500 peak   964 weight  0.11000E+01 volume  0.18218E-01 ppm1      4.280 ppm2      4.188
 ASSI {  966}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HB  ))
      1.900     0.500     0.500 peak   966 weight  0.11000E+01 volume  0.18520E-01 ppm1      4.280 ppm2      1.287
 ASSI {  967}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      2.000     0.500     0.500 peak   967 weight  0.11000E+01 volume  0.16510E-01 ppm1      4.188 ppm2      1.287
 ASSI {  968}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      1.900     0.400     0.400 peak   968 weight  0.11000E+01 volume  0.22024E-01 ppm1      3.955 ppm2      1.173
 ASSI {  971}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      2.700     0.900     0.900 peak   971 weight  0.11000E+01 volume  0.24575E-02 ppm1      2.801 ppm2      3.843
 ASSI {  972}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak   972 weight  0.11000E+01 volume  0.31080E-02 ppm1      3.337 ppm2      3.843
 ASSI {  988}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak   988 weight  0.10000E+01 volume  0.77309E-02 ppm1      0.848 ppm2      1.644
 ASSI {  989}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HB2 ))
      2.300     2.300     3.700 peak   989 weight  0.10000E+01 volume  0.59661E-02 ppm1      0.799 ppm2      1.644
 ASSI {  990}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak   990 weight  0.11000E+01 volume  0.44413E-02 ppm1      4.188 ppm2      1.644
 ASSI {  996}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HB3 ))
      2.000     0.500     0.500 peak   996 weight  0.11000E+01 volume  0.13320E-01 ppm1      1.507 ppm2      0.783
 ASSI {  998}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
      2.100     0.500     0.500 peak   998 weight  0.11000E+01 volume  0.11380E-01 ppm1      4.188 ppm2      0.783
 ASSI { 1001}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
      2.200     0.600     0.600 peak  1001 weight  0.11000E+01 volume  0.83338E-02 ppm1      1.507 ppm2      0.848
 ASSI { 1003}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG  ))
      2.300     0.600     0.600 peak  1003 weight  0.11000E+01 volume  0.71782E-02 ppm1      1.628 ppm2      0.848
 ASSI { 1006}
   (( segid "    " and resid 12   and name HG  ))
   (  segid "    " and resid 12   and name HD2%)
      2.400     0.700     0.700 peak  1006 weight  0.11000E+01 volume  0.53846E-02 ppm1      0.783 ppm2      1.628
 ASSI { 1009}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HG  ))
      1.800     1.800     4.200 peak  1009 weight  0.11000E+01 volume  0.27382E-01 ppm1      1.552 ppm2      1.647
 ASSI { 1010}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  1010 weight  0.11000E+01 volume  0.53117E-02 ppm1      3.972 ppm2      1.647
 ASSI { 1012}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG  ))
      1.800     1.800     4.200 peak  1012 weight  0.11000E+01 volume  0.24153E-01 ppm1      1.552 ppm2      1.690
 ASSI { 1013}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      2.000     0.500     0.500 peak  1013 weight  0.11000E+01 volume  0.14501E-01 ppm1      0.823 ppm2      1.690
 ASSI { 1021}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
      2.200     0.600     0.600 peak  1021 weight  0.11000E+01 volume  0.77999E-02 ppm1      1.647 ppm2      0.823
 ASSI { 1026}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB3 ))
      2.100     0.600     0.600 peak  1026 weight  0.11000E+01 volume  0.11191E-01 ppm1      1.904 ppm2      4.127
 ASSI { 1027}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HG2 ))
      2.600     0.900     0.900 peak  1027 weight  0.11000E+01 volume  0.28255E-02 ppm1      1.627 ppm2      4.127
 ASSI { 1028}
   (( segid "    " and resid 88   and name HD3 ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     2.900     3.100 peak  1028 weight  0.11000E+01 volume  0.17779E-02 ppm1      4.133 ppm2      3.186
 ASSI { 1029}
   (( segid "    " and resid 88   and name HD3 ))
   (( segid "    " and resid 88   and name HG2 ))
      2.200     2.200     3.800 peak  1029 weight  0.11000E+01 volume  0.79004E-02 ppm1      1.632 ppm2      3.186
 ASSI { 1030}
   (( segid "    " and resid 88   and name HD3 ))
   (( segid "    " and resid 88   and name HB3 ))
      2.400     0.700     0.700 peak  1030 weight  0.11000E+01 volume  0.47208E-02 ppm1      1.901 ppm2      3.186
 ASSI { 1032}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak  1032 weight  0.11000E+01 volume  0.22175E-02 ppm1      4.144 ppm2      2.011
 ASSI { 1033}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      2.300     2.300     3.700 peak  1033 weight  0.11000E+01 volume  0.61595E-02 ppm1      4.194 ppm2      0.761
 ASSI { 1034}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
      2.200     2.200     3.800 peak  1034 weight  0.11000E+01 volume  0.81830E-02 ppm1      2.021 ppm2      0.761
 ASSI { 1037}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 25   and name HD2%)
      2.100     0.600     0.600 peak  1037 weight  0.11000E+01 volume  0.10186E-01 ppm1      0.628 ppm2      0.761
 ASSI { 1038}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.400     0.700     0.700 peak  1038 weight  0.11000E+01 volume  0.51503E-02 ppm1      1.522 ppm2      2.021
 ASSI { 1043}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HB3 ))
      2.300     0.700     0.700 peak  1043 weight  0.11000E+01 volume  0.66695E-02 ppm1      1.524 ppm2      0.764
 ASSI { 1044}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.900     0.900 peak  1044 weight  0.11000E+01 volume  0.29140E-02 ppm1      2.021 ppm2      0.764
 ASSI { 1045}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak  1045 weight  0.11000E+01 volume  0.55780E-02 ppm1      4.188 ppm2      0.764
 ASSI { 1049}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
      2.100     0.600     0.600 peak  1049 weight  0.11000E+01 volume  0.97593E-02 ppm1      0.761 ppm2      1.094
 ASSI { 1052}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.200     0.600     0.600 peak  1052 weight  0.11000E+01 volume  0.82207E-02 ppm1      2.021 ppm2      4.184
 ASSI { 1056}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 25   and name HD1%)
      2.200     0.600     0.600 peak  1056 weight  0.11000E+01 volume  0.87232E-02 ppm1      0.761 ppm2      1.522
 ASSI { 1057}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HG  ))
      2.100     0.600     0.600 peak  1057 weight  0.11000E+01 volume  0.10299E-01 ppm1      1.089 ppm2      0.764
 ASSI { 1058}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak  1058 weight  0.11000E+01 volume  0.49437E-02 ppm1      4.184 ppm2      1.522
 ASSI { 1060}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.900     0.900 peak  1060 weight  0.11000E+01 volume  0.29705E-02 ppm1      4.120 ppm2      1.818
 ASSI { 1061}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak  1061 weight  0.11000E+01 volume  0.59097E-02 ppm1      4.120 ppm2      1.495
 ASSI { 1062}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.000     0.500     0.500 peak  1062 weight  0.11000E+01 volume  0.13207E-01 ppm1      1.818 ppm2      1.495
 ASSI { 1064}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak  1064 weight  0.10000E+01 volume  0.45783E-02 ppm1      0.844 ppm2      1.818
 OR { 1064}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1069}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HB3 ))
      2.100     2.100     3.900 peak  1069 weight  0.11000E+01 volume  0.10752E-01 ppm1      1.495 ppm2      0.846
 ASSI { 1070}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak  1070 weight  0.11000E+01 volume  0.48866E-02 ppm1      1.818 ppm2      0.847
 ASSI { 1071}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak  1071 weight  0.11000E+01 volume  0.50455E-02 ppm1      4.120 ppm2      0.847
 ASSI { 1073}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HB3 ))
      2.100     0.600     0.600 peak  1073 weight  0.11000E+01 volume  0.10174E-01 ppm1      1.495 ppm2      0.869
 ASSI { 1074}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak  1074 weight  0.11000E+01 volume  0.22232E-02 ppm1      1.818 ppm2      0.869
 ASSI { 1075}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
      2.200     2.200     3.800 peak  1075 weight  0.11000E+01 volume  0.91250E-02 ppm1      4.120 ppm2      0.869
 ASSI { 1076}
   (( segid "    " and resid 27   and name HG  ))
   (  segid "    " and resid 27   and name HD1%)
      2.500     0.800     0.800 peak  1076 weight  0.11000E+01 volume  0.39276E-02 ppm1      0.847 ppm2      1.838
 ASSI { 1077}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak  1077 weight  0.11000E+01 volume  0.12918E-02 ppm1      4.120 ppm2      1.838
 ASSI { 1079}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 22   and name HD2%)
      2.000     0.500     0.500 peak  1079 weight  0.11000E+01 volume  0.16624E-01 ppm1      0.930 ppm2      0.759
 ASSI { 1080}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB3 ))
      2.100     0.500     0.500 peak  1080 weight  0.11000E+01 volume  0.12478E-01 ppm1      1.385 ppm2      0.759
 ASSI { 1081}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      2.300     0.700     0.700 peak  1081 weight  0.11000E+01 volume  0.66570E-02 ppm1      2.011 ppm2      0.759
 ASSI { 1082}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      2.600     2.600     3.400 peak  1082 weight  0.11000E+01 volume  0.32613E-02 ppm1      4.144 ppm2      0.759
 ASSI { 1083}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB3 ))
      1.900     0.500     0.500 peak  1083 weight  0.11000E+01 volume  0.17534E-01 ppm1      1.385 ppm2      0.930
 ASSI { 1084}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
      2.000     2.000     4.000 peak  1084 weight  0.11000E+01 volume  0.14840E-01 ppm1      2.011 ppm2      0.930
 ASSI { 1087}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.500     0.800     0.800 peak  1087 weight  0.11000E+01 volume  0.37329E-02 ppm1      1.385 ppm2      4.144
 ASSI { 1088}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      2.100     0.500     0.500 peak  1088 weight  0.11000E+01 volume  0.12478E-01 ppm1      1.890 ppm2      4.144
 ASSI { 1089}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      2.200     0.600     0.600 peak  1089 weight  0.11000E+01 volume  0.82459E-02 ppm1      0.930 ppm2      4.144
 ASSI { 1091}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
      2.000     0.500     0.500 peak  1091 weight  0.11000E+01 volume  0.14250E-01 ppm1      1.890 ppm2      0.930
 ASSI { 1093}
   (  segid "    " and resid 46   and name HD2%)
   (  segid "    " and resid 46   and name HD1%)
      1.900     0.500     0.500 peak  1093 weight  0.11000E+01 volume  0.17697E-01 ppm1      0.934 ppm2      0.631
 ASSI { 1094}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 46   and name HG  ))
      2.300     0.600     0.600 peak  1094 weight  0.11000E+01 volume  0.69207E-02 ppm1      1.498 ppm2      0.631
 ASSI { 1096}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
      2.100     0.600     0.600 peak  1096 weight  0.11000E+01 volume  0.10978E-01 ppm1      3.959 ppm2      0.631
 ASSI { 1097}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
      2.100     0.500     0.500 peak  1097 weight  0.11000E+01 volume  0.12046E-01 ppm1      1.627 ppm2      1.385
 ASSI { 1100}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HB3 ))
      2.300     0.700     0.700 peak  1100 weight  0.11000E+01 volume  0.61357E-02 ppm1      1.401 ppm2      0.544
 ASSI { 1101}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HG  ))
      2.100     0.500     0.500 peak  1101 weight  0.11000E+01 volume  0.12140E-01 ppm1      1.663 ppm2      0.544
 ASSI { 1102}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HB2 ))
      2.300     2.300     3.700 peak  1102 weight  0.11000E+01 volume  0.72975E-02 ppm1      1.627 ppm2      0.544
 ASSI { 1103}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HA  ))
      2.200     0.600     0.600 peak  1103 weight  0.11000E+01 volume  0.91313E-02 ppm1      3.890 ppm2      0.544
 ASSI { 1107}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HB2 ))
      2.300     0.600     0.600 peak  1107 weight  0.11000E+01 volume  0.68202E-02 ppm1      2.003 ppm2      0.857
 ASSI { 1110}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 84   and name HB3 ))
      2.100     0.600     0.600 peak  1110 weight  0.11000E+01 volume  0.10896E-01 ppm1      1.369 ppm2      0.934
 ASSI { 1112}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 84   and name HA  ))
      2.000     0.500     0.500 peak  1112 weight  0.11000E+01 volume  0.15939E-01 ppm1      4.002 ppm2      0.934
 ASSI { 1119}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 84   and name HG  ))
      2.000     0.500     0.500 peak  1119 weight  0.11000E+01 volume  0.15204E-01 ppm1      1.932 ppm2      0.934
 ASSI { 1121}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HG  ))
      2.300     0.700     0.700 peak  1121 weight  0.11000E+01 volume  0.63241E-02 ppm1      1.932 ppm2      0.857
 ASSI { 1122}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 84   and name HD2%)
      1.900     0.400     0.400 peak  1122 weight  0.11000E+01 volume  0.23412E-01 ppm1      0.934 ppm2      0.857
 ASSI { 1128}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1128 weight  0.11000E+01 volume  0.21465E-02 ppm1      3.778 ppm2      1.325
 ASSI { 1129}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HG12))
      2.000     0.500     0.500 peak  1129 weight  0.11000E+01 volume  0.15116E-01 ppm1      1.288 ppm2      1.125
 ASSI { 1130}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HB  ))
      2.600     0.900     0.900 peak  1130 weight  0.11000E+01 volume  0.29994E-02 ppm1      1.546 ppm2      1.125
 ASSI { 1132}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 52   and name HB  ))
      2.300     0.700     0.700 peak  1132 weight  0.11000E+01 volume  0.58606E-02 ppm1      1.546 ppm2      1.288
 ASSI { 1146}
   (( segid "    " and resid 81   and name HG13))
   (( segid "    " and resid 81   and name HG12))
      2.400     0.700     0.700 peak  1146 weight  0.11000E+01 volume  0.53444E-02 ppm1      1.889 ppm2      0.719
 ASSI { 1150}
   (( segid "    " and resid 81   and name HG13))
   (( segid "    " and resid 81   and name HB  ))
      2.600     0.900     0.900 peak  1150 weight  0.11000E+01 volume  0.29705E-02 ppm1      1.846 ppm2      0.719
 ASSI { 1151}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HG13))
      2.100     0.500     0.500 peak  1151 weight  0.11000E+01 volume  0.11606E-01 ppm1      0.719 ppm2      0.976
 ASSI { 1153}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HG12))
      2.100     0.500     0.500 peak  1153 weight  0.11000E+01 volume  0.11511E-01 ppm1      1.889 ppm2      0.976
 ASSI { 1160}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak  1160 weight  0.11000E+01 volume  0.20919E-02 ppm1      4.868 ppm2      1.892
 ASSI { 1163}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.800     1.800     4.200 peak  1163 weight  0.11000E+01 volume  0.27771E-01 ppm1      1.848 ppm2      1.933
 ASSI { 1165}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HD3 ))
      2.200     0.600     0.600 peak  1165 weight  0.11000E+01 volume  0.81077E-02 ppm1      3.598 ppm2      1.933
 ASSI { 1176}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HG3 ))
      2.000     2.000     4.000 peak  1176 weight  0.11000E+01 volume  0.15688E-01 ppm1      1.897 ppm2      2.017
 ASSI { 1177}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.100     0.500     0.500 peak  1177 weight  0.11000E+01 volume  0.11562E-01 ppm1      1.830 ppm2      2.017
 ASSI { 1182}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HG3 ))
      2.400     0.700     0.700 peak  1182 weight  0.11000E+01 volume  0.51912E-02 ppm1      1.897 ppm2      2.406
 ASSI { 1183}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.400     0.700     0.700 peak  1183 weight  0.11000E+01 volume  0.50455E-02 ppm1      1.830 ppm2      2.406
 ASSI { 1184}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HG3 ))
      1.800     0.400     0.400 peak  1184 weight  0.11000E+01 volume  0.32424E-01 ppm1      1.897 ppm2      1.830
 ASSI { 1186}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.100     0.500     0.500 peak  1186 weight  0.11000E+01 volume  0.11543E-01 ppm1      2.322 ppm2      1.831
 ASSI { 1188}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HD3 ))
      2.400     0.700     0.700 peak  1188 weight  0.11000E+01 volume  0.44808E-02 ppm1      3.695 ppm2      2.062
 ASSI { 1190}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.600     0.800     0.800 peak  1190 weight  0.11000E+01 volume  0.34152E-02 ppm1      1.825 ppm2      4.406
 ASSI { 1193}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HD3 ))
      3.500     1.500     1.500 peak  1193 weight  0.11000E+01 volume  0.50587E-03 ppm1      3.695 ppm2      4.406
 ASSI { 1197}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HD2 ))
      2.300     0.700     0.700 peak  1197 weight  0.11000E+01 volume  0.66758E-02 ppm1      2.647 ppm2      2.543
 ASSI { 1199}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.600     1.600     1.600 peak  1199 weight  0.11000E+01 volume  0.45807E-03 ppm1      1.530 ppm2      2.543
 ASSI { 1201}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HG3 ))
      2.800     1.000     1.000 peak  1201 weight  0.11000E+01 volume  0.20323E-02 ppm1      1.400 ppm2      2.543
 ASSI { 1204}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     1.400     1.400 peak  1204 weight  0.11000E+01 volume  0.70526E-03 ppm1      1.530 ppm2      2.647
 ASSI { 1206}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG3 ))
      2.800     1.000     1.000 peak  1206 weight  0.11000E+01 volume  0.18979E-02 ppm1      1.400 ppm2      2.647
 ASSI { 1207}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HB3 ))
      3.300     1.400     1.400 peak  1207 weight  0.11000E+01 volume  0.68014E-03 ppm1      2.314 ppm2      2.543
 ASSI { 1210}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.600     0.800     0.800 peak  1210 weight  0.11000E+01 volume  0.31363E-02 ppm1      2.952 ppm2      3.992
 ASSI { 1211}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak  1211 weight  0.11000E+01 volume  0.18238E-02 ppm1      3.122 ppm2      3.992
 ASSI { 1217}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HB2 ))
      2.200     0.600     0.600 peak  1217 weight  0.11000E+01 volume  0.75927E-02 ppm1      1.280 ppm2      1.064
 ASSI { 1219}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.800     0.900     0.900 peak  1219 weight  0.11000E+01 volume  0.21837E-02 ppm1      1.845 ppm2      3.384
 ASSI { 1220}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak  1220 weight  0.11000E+01 volume  0.51422E-02 ppm1      4.182 ppm2      2.250
 ASSI { 1224}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HG3 ))
      2.000     0.500     0.500 peak  1224 weight  0.11000E+01 volume  0.16944E-01 ppm1      2.291 ppm2      2.148
 ASSI { 1230}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.300     2.300     3.700 peak  1230 weight  0.11000E+01 volume  0.63932E-02 ppm1      4.184 ppm2      2.366
 ASSI { 1232}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB3 ))
      2.200     0.600     0.600 peak  1232 weight  0.11000E+01 volume  0.84845E-02 ppm1      1.975 ppm2      2.366
 ASSI { 1234}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HG3 ))
      1.600     0.300     0.600 peak  1234 weight  0.11000E+01 volume  0.63115E-01 ppm1      2.571 ppm2      2.501
 ASSI { 1236}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB3 ))
      2.300     0.600     0.600 peak  1236 weight  0.11000E+01 volume  0.72410E-02 ppm1      2.052 ppm2      2.501
 ASSI { 1237}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak  1237 weight  0.11000E+01 volume  0.48464E-02 ppm1      1.970 ppm2      2.501
 ASSI { 1240}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HB3 ))
      2.300     0.700     0.700 peak  1240 weight  0.11000E+01 volume  0.64121E-02 ppm1      2.052 ppm2      2.571
 ASSI { 1249}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG3 ))
      2.600     0.800     0.800 peak  1249 weight  0.11000E+01 volume  0.32575E-02 ppm1      2.571 ppm2      1.971
 ASSI { 1250}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak  1250 weight  0.11000E+01 volume  0.37901E-02 ppm1      4.394 ppm2      1.971
 ASSI { 1252}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.800     0.400     0.400 peak  1252 weight  0.11000E+01 volume  0.28091E-01 ppm1      2.703 ppm2      2.763
 ASSI { 1253}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.500     0.800     0.800 peak  1253 weight  0.11000E+01 volume  0.37449E-02 ppm1      2.209 ppm2      2.763
 ASSI { 1255}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.500     0.800     0.800 peak  1255 weight  0.11000E+01 volume  0.36136E-02 ppm1      2.209 ppm2      2.703
 ASSI { 1256}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG3 ))
      2.600     0.800     0.800 peak  1256 weight  0.11000E+01 volume  0.32531E-02 ppm1      2.096 ppm2      2.703
 ASSI { 1257}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
      2.600     0.800     0.800 peak  1257 weight  0.11000E+01 volume  0.32249E-02 ppm1      2.084 ppm2      2.763
 ASSI { 1261}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.200     0.600     0.600 peak  1261 weight  0.11000E+01 volume  0.79947E-02 ppm1      2.209 ppm2      2.084
 ASSI { 1267}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.600     1.600     1.600 peak  1267 weight  0.11000E+01 volume  0.43898E-03 ppm1      2.406 ppm2      4.868
 ASSI { 1268}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG3 ))
      3.600     1.600     1.600 peak  1268 weight  0.11000E+01 volume  0.44520E-03 ppm1      2.093 ppm2      4.868
 ASSI { 1271}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     0.900     0.900 peak  1271 weight  0.11000E+01 volume  0.21837E-02 ppm1      4.868 ppm2      1.857
 ASSI { 1275}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HG3 ))
      2.300     0.600     0.600 peak  1275 weight  0.11000E+01 volume  0.71343E-02 ppm1      2.093 ppm2      2.406
 ASSI { 1276}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.300     0.700     0.700 peak  1276 weight  0.11000E+01 volume  0.57639E-02 ppm1      1.892 ppm2      2.406
 ASSI { 1277}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.300     0.600     0.600 peak  1277 weight  0.11000E+01 volume  0.72473E-02 ppm1      1.857 ppm2      2.406
 ASSI { 1281}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.200     0.600     0.600 peak  1281 weight  0.11000E+01 volume  0.84719E-02 ppm1      1.857 ppm2      2.093
 ASSI { 1283}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HG3 ))
      2.500     0.800     0.800 peak  1283 weight  0.11000E+01 volume  0.41386E-02 ppm1      2.093 ppm2      1.892
 ASSI { 1288}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG3 ))
      2.600     0.900     0.900 peak  1288 weight  0.11000E+01 volume  0.28656E-02 ppm1      1.889 ppm2      2.518
 ASSI { 1293}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HG3 ))
      1.600     0.300     0.600 peak  1293 weight  0.11000E+01 volume  0.49858E-01 ppm1      2.604 ppm2      2.529
 ASSI { 1295}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.300     0.700     0.700 peak  1295 weight  0.11000E+01 volume  0.57400E-02 ppm1      2.221 ppm2      2.529
 ASSI { 1308}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1308 weight  0.11000E+01 volume  0.42868E-02 ppm1      4.265 ppm2      2.714
 ASSI { 1312}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.500     0.800     0.800 peak  1312 weight  0.11000E+01 volume  0.38133E-02 ppm1      3.102 ppm2      4.265
 ASSI { 1323}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak  1323 weight  0.11000E+01 volume  0.50939E-02 ppm1      2.843 ppm2      4.249
 ASSI { 1325}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
      1.900     0.400     0.400 peak  1325 weight  0.11000E+01 volume  0.22508E-01 ppm1      2.664 ppm2      2.843
 ASSI { 1328}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.300     0.700     0.700 peak  1328 weight  0.11000E+01 volume  0.58041E-02 ppm1      4.249 ppm2      2.664
 ASSI { 1331}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      1.900     0.500     0.500 peak  1331 weight  0.11000E+01 volume  0.17968E-01 ppm1      2.732 ppm2      2.928
 ASSI { 1342}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HB  ))
      2.100     0.500     0.500 peak  1342 weight  0.11000E+01 volume  0.12384E-01 ppm1      2.191 ppm2      1.018
 ASSI { 1343}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      2.200     0.600     0.600 peak  1343 weight  0.11000E+01 volume  0.84594E-02 ppm1      4.403 ppm2      1.018
 ASSI { 1345}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HB  ))
      2.100     0.500     0.500 peak  1345 weight  0.11000E+01 volume  0.11606E-01 ppm1      2.191 ppm2      0.977
 ASSI { 1347}
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 66   and name HG1%)
      2.200     0.600     0.600 peak  1347 weight  0.11000E+01 volume  0.76743E-02 ppm1      0.930 ppm2      2.108
 ASSI { 1348}
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 66   and name HG2%)
      2.300     0.700     0.700 peak  1348 weight  0.11000E+01 volume  0.63806E-02 ppm1      0.821 ppm2      2.108
 ASSI { 1352}
   (  segid "    " and resid 66   and name HG1%)
   (  segid "    " and resid 66   and name HG2%)
      1.800     0.400     0.400 peak  1352 weight  0.11000E+01 volume  0.27482E-01 ppm1      0.821 ppm2      0.930
 ASSI { 1359}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 34   and name HA  ))
      2.000     0.500     0.500 peak  1359 weight  0.11000E+01 volume  0.16510E-01 ppm1      4.125 ppm2      0.800
 ASSI { 1360}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 34   and name HB  ))
      1.800     0.400     0.400 peak  1360 weight  0.11000E+01 volume  0.25159E-01 ppm1      1.892 ppm2      0.800
 ASSI { 1370}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 64   and name HA2 ))
      2.000     0.500     0.500 peak  1370 weight  0.11000E+01 volume  0.14017E-01 ppm1      4.186 ppm2      3.649
 ASSI { 1374}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.000     0.500     0.500 peak  1374 weight  0.11000E+01 volume  0.13565E-01 ppm1      3.799 ppm2      1.482
 ASSI { 1376}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 51   and name HA  ))
      1.900     0.400     0.400 peak  1376 weight  0.11000E+01 volume  0.20599E-01 ppm1      4.056 ppm2      1.433
 ASSI { 1378}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 79   and name HA  ))
      1.900     0.400     0.400 peak  1378 weight  0.11000E+01 volume  0.21151E-01 ppm1      4.130 ppm2      1.382
 ASSI { 1379}
   (  segid "    " and resid 82   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      1.800     0.400     0.400 peak  1379 weight  0.11000E+01 volume  0.24028E-01 ppm1      4.102 ppm2      1.482
 ASSI { 1384}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HB3 ))
      1.800     0.400     0.400 peak  1384 weight  0.11000E+01 volume  0.28405E-01 ppm1      3.851 ppm2      3.804
 ASSI { 1388}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.100     0.500     0.500 peak  1388 weight  0.11000E+01 volume  0.12209E-01 ppm1      3.895 ppm2      4.406
 ASSI { 1389}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB2 ))
      2.000     0.500     0.500 peak  1389 weight  0.11000E+01 volume  0.13176E-01 ppm1      3.884 ppm2      4.457
 ASSI { 1398}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HB3 ))
      1.900     0.400     0.400 peak  1398 weight  0.11000E+01 volume  0.23349E-01 ppm1      2.457 ppm2      2.388
 ASSI { 1412}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak  1412 weight  0.11000E+01 volume  0.48922E-02 ppm1      1.933 ppm2      1.102
 ASSI { 1414}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 53   and name HD2%)
      2.800     1.000     1.000 peak  1414 weight  0.11000E+01 volume  0.20235E-02 ppm1      0.856 ppm2      1.102
 ASSI { 1415}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 53   and name HD1%)
      2.600     0.900     0.900 peak  1415 weight  0.11000E+01 volume  0.28701E-02 ppm1      0.718 ppm2      1.102
 ASSI { 1416}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak  1416 weight  0.11000E+01 volume  0.12818E-02 ppm1      3.776 ppm2      1.933
 ASSI { 1421}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
      2.100     0.500     0.500 peak  1421 weight  0.11000E+01 volume  0.11737E-01 ppm1      3.776 ppm2      0.856
 ASSI { 1422}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak  1422 weight  0.11000E+01 volume  0.41726E-02 ppm1      1.933 ppm2      0.856
 ASSI { 1428}
   (  segid "    " and resid 53   and name HD1%)
   (  segid "    " and resid 53   and name HD2%)
      1.800     0.400     0.400 peak  1428 weight  0.11000E+01 volume  0.27639E-01 ppm1      0.856 ppm2      0.718
 ASSI { 1430}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HB2 ))
      2.300     0.600     0.600 peak  1430 weight  0.11000E+01 volume  0.70651E-02 ppm1      1.933 ppm2      0.718
 ASSI { 1431}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      2.500     2.500     3.500 peak  1431 weight  0.11000E+01 volume  0.38359E-02 ppm1      3.776 ppm2      0.718
 ASSI { 1434}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      3.000     1.100     1.100 peak  1434 weight  0.11000E+01 volume  0.12736E-02 ppm1      1.102 ppm2      3.776
 ASSI { 1447}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1447 weight  0.11000E+01 volume  0.40985E-02 ppm1      3.106 ppm2      1.812
 ASSI { 1448}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.700     0.900     0.900 peak  1448 weight  0.11000E+01 volume  0.27042E-02 ppm1      3.233 ppm2      1.815
 ASSI { 1449}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
      2.700     0.900     0.900 peak  1449 weight  0.11000E+01 volume  0.22263E-02 ppm1      3.233 ppm2      3.106
 ASSI { 1453}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak  1453 weight  0.11000E+01 volume  0.13703E-02 ppm1      1.461 ppm2      3.106
 ASSI { 1455}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1455 weight  0.11000E+01 volume  0.38874E-02 ppm1      3.106 ppm2      1.756
 ASSI { 1456}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.700     0.900     0.900 peak  1456 weight  0.11000E+01 volume  0.27124E-02 ppm1      3.233 ppm2      1.756
 ASSI { 1457}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG3 ))
      2.000     0.500     0.500 peak  1457 weight  0.11000E+01 volume  0.15801E-01 ppm1      1.625 ppm2      1.461
 ASSI { 1459}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB3 ))
      2.200     0.600     0.600 peak  1459 weight  0.11000E+01 volume  0.80951E-02 ppm1      1.812 ppm2      1.461
 ASSI { 1462}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.300     0.700     0.700 peak  1462 weight  0.11000E+01 volume  0.60302E-02 ppm1      3.233 ppm2      1.625
 ASSI { 1463}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1463 weight  0.11000E+01 volume  0.40645E-02 ppm1      3.126 ppm2      1.625
 ASSI { 1464}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB3 ))
      2.000     2.000     4.000 peak  1464 weight  0.11000E+01 volume  0.13320E-01 ppm1      1.812 ppm2      1.625
 ASSI { 1465}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.000     2.000     4.000 peak  1465 weight  0.11000E+01 volume  0.17239E-01 ppm1      1.757 ppm2      1.625
 ASSI { 1480}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 70   and name HD% )
      2.800     2.800     3.200 peak  1480 weight  0.11000E+01 volume  0.14432E-02 ppm1      7.229 ppm2      0.627
 ASSI { 1481}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HE% )
      3.000     3.000     3.000 peak  1481 weight  0.11000E+01 volume  0.97342E-03 ppm1      7.063 ppm2      0.630
 ASSI { 1482}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 70   and name HE% )
      2.900     2.900     3.100 peak  1482 weight  0.11000E+01 volume  0.10758E-02 ppm1      6.800 ppm2      0.627
 ASSI { 1486}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.000     1.100     1.100 peak  1486 weight  0.10000E+01 volume  0.12315E-02 ppm1      4.086 ppm2      0.618
 ASSI { 1487}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 62   and name HB  ))
      3.100     1.200     1.200 peak  1487 weight  0.11000E+01 volume  0.10061E-02 ppm1      4.284 ppm2      0.618
 ASSI { 1489}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 52   and name HD1%)
      3.300     3.300     2.700 peak  1489 weight  0.10000E+01 volume  0.78313E-03 ppm1      3.374 ppm2      0.618
 ASSI { 1491}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak  1491 weight  0.11000E+01 volume  0.41958E-02 ppm1      3.768 ppm2      0.976
 ASSI { 1493}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
      2.600     0.800     0.800 peak  1493 weight  0.11000E+01 volume  0.30798E-02 ppm1      3.112 ppm2      0.976
 ASSI { 1494}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      2.600     0.800     0.800 peak  1494 weight  0.11000E+01 volume  0.31162E-02 ppm1      3.078 ppm2      0.976
 ASSI { 1495}
   (  segid "    " and resid 81   and name HD1%)
   (  segid "    " and resid 60   and name HE% )
      2.600     0.900     0.900 peak  1495 weight  0.11000E+01 volume  0.19380E-02 ppm1      6.755 ppm2      0.977
 ASSI { 1496}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 60   and name HZ  ))
      2.600     0.800     0.800 peak  1496 weight  0.11000E+01 volume  0.22489E-02 ppm1      6.841 ppm2      0.977
 ASSI { 1497}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 74   and name HZ  ))
      2.400     2.400     3.600 peak  1497 weight  0.11000E+01 volume  0.38585E-02 ppm1      7.063 ppm2      0.976
 ASSI { 1498}
   (  segid "    " and resid 81   and name HD1%)
   (  segid "    " and resid 77   and name HD% )
      2.900     2.900     3.100 peak  1498 weight  0.11000E+01 volume  0.12046E-02 ppm1      7.519 ppm2      0.976
 ASSI { 1499}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 81   and name HD1%)
      2.300     0.700     0.700 peak  1499 weight  0.10000E+01 volume  0.58851E-02 ppm1      1.402 ppm2      0.976
 ASSI { 1500}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 81   and name HD1%)
      3.300     1.300     1.300 peak  1500 weight  0.10000E+01 volume  0.80826E-03 ppm1      1.264 ppm2      0.976
 OR { 1500}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 81   and name HD1%)
 ASSI { 1504}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 60   and name HE% )
      2.500     2.500     3.500 peak  1504 weight  0.11000E+01 volume  0.27406E-02 ppm1      6.758 ppm2      0.895
 ASSI { 1505}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 60   and name HZ  ))
      2.700     2.700     3.300 peak  1505 weight  0.11000E+01 volume  0.17835E-02 ppm1      6.839 ppm2      0.893
 ASSI { 1506}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 74   and name HE% )
      2.300     2.300     3.700 peak  1506 weight  0.11000E+01 volume  0.40187E-02 ppm1      7.063 ppm2      0.893
 ASSI { 1507}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 60   and name HD% )
      3.200     3.200     2.800 peak  1507 weight  0.11000E+01 volume  0.65879E-03 ppm1      6.608 ppm2      0.893
 ASSI { 1508}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak  1508 weight  0.11000E+01 volume  0.54731E-02 ppm1      3.778 ppm2      0.657
 ASSI { 1509}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      2.800     2.800     3.200 peak  1509 weight  0.10000E+01 volume  0.20178E-02 ppm1      3.998 ppm2      0.657
 ASSI { 1510}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.100     1.100 peak  1510 weight  0.11000E+01 volume  0.14387E-02 ppm1      4.111 ppm2      0.657
 ASSI { 1511}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 74   and name HZ  ))
      3.100     3.100     2.900 peak  1511 weight  0.11000E+01 volume  0.72159E-03 ppm1      7.063 ppm2      0.657
 ASSI { 1512}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      2.800     1.000     1.000 peak  1512 weight  0.10000E+01 volume  0.18012E-02 ppm1      4.553 ppm2      0.657
 ASSI { 1516}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak  1516 weight  0.11000E+01 volume  0.12472E-02 ppm1      3.955 ppm2      0.893
 ASSI { 1517}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 49   and name HB3 ))
      2.500     0.800     0.800 peak  1517 weight  0.11000E+01 volume  0.42015E-02 ppm1      2.016 ppm2      0.893
 ASSI { 1518}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 45   and name HG2%)
      3.200     1.300     1.300 peak  1518 weight  0.10000E+01 volume  0.85661E-03 ppm1      2.100 ppm2      0.893
 ASSI { 1519}
   (( segid "    " and resid 41   and name HG2 ))
   (  segid "    " and resid 45   and name HG2%)
      3.300     1.400     1.400 peak  1519 weight  0.10000E+01 volume  0.71845E-03 ppm1      2.410 ppm2      0.893
 ASSI { 1521}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 42   and name HD2 ))
      3.100     1.200     1.200 peak  1521 weight  0.11000E+01 volume  0.98598E-03 ppm1      2.651 ppm2      0.893
 ASSI { 1525}
   (  segid "    " and resid 63   and name HD1%)
   (  segid "    " and resid 45   and name HG2%)
      2.300     0.600     0.600 peak  1525 weight  0.10000E+01 volume  0.72725E-02 ppm1      0.553 ppm2      0.893
 ASSI { 1526}
   (  segid "    " and resid 66   and name HG2%)
   (  segid "    " and resid 60   and name HE% )
      2.800     2.800     3.200 peak  1526 weight  0.11000E+01 volume  0.14507E-02 ppm1      6.754 ppm2      0.821
 ASSI { 1527}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 74   and name HZ  ))
      2.400     2.400     3.600 peak  1527 weight  0.11000E+01 volume  0.33706E-02 ppm1      7.063 ppm2      0.821
 ASSI { 1528}
   (  segid "    " and resid 66   and name HG2%)
   (  segid "    " and resid 70   and name HD% )
      2.800     2.800     3.200 peak  1528 weight  0.11000E+01 volume  0.13100E-02 ppm1      7.229 ppm2      0.821
 ASSI { 1529}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
      2.600     2.600     3.400 peak  1529 weight  0.11000E+01 volume  0.33178E-02 ppm1      4.244 ppm2      0.800
 ASSI { 1530}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.700     0.700 peak  1530 weight  0.11000E+01 volume  0.61998E-02 ppm1      5.014 ppm2      0.800
 ASSI { 1531}
   (  segid "    " and resid 37   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      2.900     2.900     3.100 peak  1531 weight  0.11000E+01 volume  0.12133E-02 ppm1      7.312 ppm2      1.018
 ASSI { 1532}
   (  segid "    " and resid 37   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      2.300     2.300     3.700 peak  1532 weight  0.11000E+01 volume  0.40243E-02 ppm1      7.211 ppm2      1.018
 ASSI { 1533}
   (  segid "    " and resid 37   and name HG1%)
   (  segid "    " and resid 40   and name HD% )
      2.400     2.400     3.600 peak  1533 weight  0.11000E+01 volume  0.35074E-02 ppm1      7.211 ppm2      0.977
 ASSI { 1534}
   (  segid "    " and resid 37   and name HG1%)
   (  segid "    " and resid 40   and name HE% )
      3.000     3.000     3.000 peak  1534 weight  0.11000E+01 volume  0.91753E-03 ppm1      7.312 ppm2      0.977
 ASSI { 1535}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 30   and name HA2 ))
      2.600     0.800     0.800 peak  1535 weight  0.11000E+01 volume  0.32858E-02 ppm1      3.668 ppm2      1.018
 ASSI { 1536}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 30   and name HA2 ))
      2.900     2.900     3.100 peak  1536 weight  0.11000E+01 volume  0.17051E-02 ppm1      3.668 ppm2      0.977
 ASSI { 1538}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 33   and name HB3 ))
      2.700     0.900     0.900 peak  1538 weight  0.11000E+01 volume  0.27369E-02 ppm1      2.759 ppm2      1.018
 ASSI { 1541}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      2.700     0.900     0.900 peak  1541 weight  0.10000E+01 volume  0.24229E-02 ppm1      3.858 ppm2      1.018
 ASSI { 1542}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak  1542 weight  0.11000E+01 volume  0.46353E-02 ppm1      3.858 ppm2      0.977
 ASSI { 1543}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 30   and name HA1 ))
      2.500     0.800     0.800 peak  1543 weight  0.11000E+01 volume  0.35332E-02 ppm1      4.145 ppm2      1.018
 ASSI { 1544}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 30   and name HA1 ))
      2.900     2.900     3.100 peak  1544 weight  0.11000E+01 volume  0.14652E-02 ppm1      4.145 ppm2      0.977
 ASSI { 1545}
   (  segid "    " and resid 66   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      2.600     2.600     3.400 peak  1545 weight  0.10000E+01 volume  0.30836E-02 ppm1      0.824 ppm2      0.628
 ASSI { 1567}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      3.200     3.200     2.800 peak  1567 weight  0.10000E+01 volume  0.84657E-03 ppm1      4.392 ppm2      1.330
 ASSI { 1569}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.600     0.600 peak  1569 weight  0.11000E+01 volume  0.92004E-02 ppm1      4.004 ppm2      1.330
 ASSI { 1570}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 59   and name HB% )
      3.200     3.200     2.800 peak  1570 weight  0.10000E+01 volume  0.92632E-03 ppm1      3.835 ppm2      1.330
 ASSI { 1571}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      3.200     1.300     1.300 peak  1571 weight  0.10000E+01 volume  0.92443E-03 ppm1      3.662 ppm2      1.330
 ASSI { 1576}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 60   and name HZ  ))
      3.100     3.100     2.900 peak  1576 weight  0.11000E+01 volume  0.69144E-03 ppm1      6.818 ppm2      0.821
 ASSI { 1577}
   (  segid "    " and resid 66   and name HG2%)
   (  segid "    " and resid 60   and name HD% )
      3.300     1.400     1.400 peak  1577 weight  0.11000E+01 volume  0.50876E-03 ppm1      6.616 ppm2      0.821
 ASSI { 1579}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 36   and name HD3 ))
      2.800     2.800     3.200 peak  1579 weight  0.11000E+01 volume  0.21918E-02 ppm1      3.691 ppm2      0.800
 ASSI { 1580}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 35   and name HD2 ))
      2.900     2.900     3.100 peak  1580 weight  0.11000E+01 volume  0.16447E-02 ppm1      3.585 ppm2      0.800
 ASSI { 1588}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak  1588 weight  0.11000E+01 volume  0.12416E-02 ppm1      2.691 ppm2      1.018
 ASSI { 1592}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 25   and name HD2%)
      2.300     0.600     0.600 peak  1592 weight  0.10000E+01 volume  0.72725E-02 ppm1      0.347 ppm2      0.764
 ASSI { 1593}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 25   and name HD2%)
      2.300     0.600     0.600 peak  1593 weight  0.10000E+01 volume  0.73729E-02 ppm1      0.118 ppm2      0.764
 ASSI { 1597}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak  1597 weight  0.11000E+01 volume  0.29265E-02 ppm1      2.695 ppm2      0.930
 ASSI { 1598}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 70   and name HB3 ))
      2.900     1.000     1.000 peak  1598 weight  0.11000E+01 volume  0.16410E-02 ppm1      3.144 ppm2      0.930
 ASSI { 1601}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 29   and name HD2%)
      2.300     2.300     3.700 peak  1601 weight  0.10000E+01 volume  0.68391E-02 ppm1      0.771 ppm2      0.343
 OR { 1601}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 29   and name HD2%)
 ASSI { 1603}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 76   and name HB2 ))
      3.100     1.200     1.200 peak  1603 weight  0.11000E+01 volume  0.11832E-02 ppm1      2.721 ppm2      0.343
 ASSI { 1608}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      2.900     2.900     3.100 peak  1608 weight  0.11000E+01 volume  0.10990E-02 ppm1      7.312 ppm2      0.343
 ASSI { 1609}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
      3.300     3.300     2.700 peak  1609 weight  0.11000E+01 volume  0.51447E-03 ppm1      7.211 ppm2      0.343
 ASSI { 1610}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 40   and name HZ  ))
      3.300     1.400     1.400 peak  1610 weight  0.11000E+01 volume  0.49588E-03 ppm1      6.897 ppm2      0.343
 ASSI { 1611}
   (  segid "    " and resid 66   and name HG1%)
   (  segid "    " and resid 60   and name HE% )
      2.600     2.600     3.400 peak  1611 weight  0.11000E+01 volume  0.19179E-02 ppm1      6.770 ppm2      0.930
 ASSI { 1612}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 74   and name HZ  ))
      2.300     0.700     0.700 peak  1612 weight  0.11000E+01 volume  0.39784E-02 ppm1      7.060 ppm2      0.930
 ASSI { 1613}
   (  segid "    " and resid 66   and name HG1%)
   (  segid "    " and resid 70   and name HD% )
      2.400     2.400     3.600 peak  1613 weight  0.11000E+01 volume  0.30596E-02 ppm1      7.229 ppm2      0.930
 ASSI { 1619}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 46   and name HD2%)
      2.600     0.900     0.900 peak  1619 weight  0.10000E+01 volume  0.27852E-02 ppm1      3.874 ppm2      0.631
 ASSI { 1622}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HD2%)
      2.900     2.900     3.100 peak  1622 weight  0.10000E+01 volume  0.17257E-02 ppm1      4.425 ppm2      0.631
 ASSI { 1623}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak  1623 weight  0.11000E+01 volume  0.22546E-02 ppm1      4.454 ppm2      0.631
 ASSI { 1626}
   (  segid "    " and resid 46   and name HD2%)
   (  segid "    " and resid 19   and name HD% )
      2.900     2.900     3.100 peak  1626 weight  0.11000E+01 volume  0.10790E-02 ppm1      6.802 ppm2      0.631
 ASSI { 1628}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 41   and name HG3 ))
      2.800     1.000     1.000 peak  1628 weight  0.11000E+01 volume  0.21377E-02 ppm1      2.086 ppm2      0.631
 ASSI { 1631}
   (  segid "    " and resid 46   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
      3.300     1.400     1.400 peak  1631 weight  0.11000E+01 volume  0.47308E-03 ppm1      7.211 ppm2      0.631
 ASSI { 1634}
   (  segid "    " and resid 46   and name HD2%)
   (  segid "    " and resid 49   and name HE% )
      2.100     0.600     0.600 peak  1634 weight  0.11000E+01 volume  0.97279E-02 ppm1      1.407 ppm2      0.631
 ASSI { 1639}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 70   and name HE% )
      3.200     1.300     1.300 peak  1639 weight  0.11000E+01 volume  0.62073E-03 ppm1      6.796 ppm2      0.198
 ASSI { 1640}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 70   and name HD% )
      3.100     1.200     1.200 peak  1640 weight  0.11000E+01 volume  0.76178E-03 ppm1      7.229 ppm2      0.198
 ASSI { 1641}
   (( segid "    " and resid 69   and name HG3 ))
   (  segid "    " and resid 70   and name HE% )
      3.200     1.300     1.300 peak  1641 weight  0.11000E+01 volume  0.60007E-03 ppm1      6.796 ppm2      0.467
 ASSI { 1642}
   (( segid "    " and resid 69   and name HG3 ))
   (  segid "    " and resid 70   and name HD% )
      3.200     1.300     1.300 peak  1642 weight  0.11000E+01 volume  0.57721E-03 ppm1      7.229 ppm2      0.467
 ASSI { 1644}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak  1644 weight  0.11000E+01 volume  0.86414E-02 ppm1      3.813 ppm2      0.930
 ASSI { 1653}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 81   and name HA  ))
      2.400     0.700     0.700 peak  1653 weight  0.11000E+01 volume  0.55297E-02 ppm1      3.451 ppm2      0.856
 ASSI { 1655}
   (( segid "    " and resid 32   and name HD2 ))
   (  segid "    " and resid 29   and name HD2%)
      3.200     1.300     1.300 peak  1655 weight  0.10000E+01 volume  0.93449E-03 ppm1      3.028 ppm2      0.343
 ASSI { 1659}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak  1659 weight  0.11000E+01 volume  0.14476E-01 ppm1      3.818 ppm2      1.402
 ASSI { 1663}
   (  segid "    " and resid 80   and name HG2%)
   (  segid "    " and resid 18   and name HG2%)
      2.700     2.700     3.300 peak  1663 weight  0.10000E+01 volume  0.25629E-02 ppm1      1.190 ppm2      1.402
 ASSI { 1664}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 18   and name HG2%)
      2.200     0.600     0.600 peak  1664 weight  0.10000E+01 volume  0.89304E-02 ppm1      0.929 ppm2      1.402
 ASSI { 1667}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 18   and name HG2%)
      3.000     3.000     3.000 peak  1667 weight  0.10000E+01 volume  0.13741E-02 ppm1      0.654 ppm2      1.402
 ASSI { 1669}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
      3.000     1.200     1.200 peak  1669 weight  0.10000E+01 volume  0.12115E-02 ppm1      4.085 ppm2      0.544
 ASSI { 1671}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
      3.000     1.100     1.100 peak  1671 weight  0.10000E+01 volume  0.13522E-02 ppm1      3.663 ppm2      0.544
 ASSI { 1672}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak  1672 weight  0.11000E+01 volume  0.46982E-02 ppm1      3.449 ppm2      0.544
 ASSI { 1673}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 63   and name HD2%)
      3.100     1.200     1.200 peak  1673 weight  0.10000E+01 volume  0.11543E-02 ppm1      3.372 ppm2      0.544
 ASSI { 1674}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  1674 weight  0.11000E+01 volume  0.14489E-02 ppm1      2.522 ppm2      0.544
 ASSI { 1675}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 63   and name HD2%)
      2.500     0.800     0.800 peak  1675 weight  0.10000E+01 volume  0.37216E-02 ppm1      1.825 ppm2      0.544
 ASSI { 1676}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 52   and name HB  ))
      2.600     0.800     0.800 peak  1676 weight  0.11000E+01 volume  0.32293E-02 ppm1      1.547 ppm2      0.544
 ASSI { 1680}
   (  segid "    " and resid 63   and name HD2%)
   (  segid "    " and resid 60   and name HD% )
      2.700     2.700     3.300 peak  1680 weight  0.11000E+01 volume  0.15417E-02 ppm1      6.610 ppm2      0.544
 ASSI { 1681}
   (  segid "    " and resid 63   and name HD2%)
   (  segid "    " and resid 60   and name HE% )
      2.900     2.900     3.100 peak  1681 weight  0.11000E+01 volume  0.12058E-02 ppm1      6.750 ppm2      0.544
 ASSI { 1682}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 60   and name HZ  ))
      3.400     3.400     2.600 peak  1682 weight  0.11000E+01 volume  0.41826E-03 ppm1      6.836 ppm2      0.544
 ASSI { 1683}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 15   and name HD2%)
      2.700     0.900     0.900 peak  1683 weight  0.10000E+01 volume  0.22150E-02 ppm1      4.403 ppm2      0.823
 ASSI { 1686}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      3.100     1.200     1.200 peak  1686 weight  0.10000E+01 volume  0.10776E-02 ppm1      4.298 ppm2      0.848
 ASSI { 1688}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD1%)
      2.100     0.500     0.500 peak  1688 weight  0.10000E+01 volume  0.11769E-01 ppm1      1.560 ppm2      0.823
 OR { 1688}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 1691}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      2.400     2.400     3.600 peak  1691 weight  0.10000E+01 volume  0.46178E-02 ppm1      3.973 ppm2      0.847
 ASSI { 1694}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
      2.400     0.700     0.700 peak  1694 weight  0.10000E+01 volume  0.48118E-02 ppm1      4.187 ppm2      0.847
 ASSI { 1698}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      2.000     2.000     4.000 peak  1698 weight  0.10000E+01 volume  0.16461E-01 ppm1      1.555 ppm2      0.847
 ASSI { 1700}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.100     1.200     1.200 peak  1700 weight  0.10000E+01 volume  0.10959E-02 ppm1      4.371 ppm2      1.541
 ASSI { 1701}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 87   and name HG3 ))
      3.200     1.300     1.300 peak  1701 weight  0.10000E+01 volume  0.95333E-03 ppm1      4.361 ppm2      1.456
 ASSI { 1708}
   (( segid "    " and resid 35   and name HD3 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak  1708 weight  0.10000E+01 volume  0.40413E-02 ppm1      3.444 ppm2      1.830
 ASSI { 1709}
   (( segid "    " and resid 35   and name HD3 ))
   (( segid "    " and resid 35   and name HG3 ))
      2.500     0.800     0.800 peak  1709 weight  0.10000E+01 volume  0.38302E-02 ppm1      3.448 ppm2      1.897
 ASSI { 1710}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 53   and name HD1%)
      2.400     0.700     0.700 peak  1710 weight  0.10000E+01 volume  0.44928E-02 ppm1      2.003 ppm2      0.718
 OR { 1710}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 53   and name HG  ))
 ASSI { 1711}
   (( segid "    " and resid 54   and name HG3 ))
   (  segid "    " and resid 63   and name HD1%)
      2.900     1.100     1.100 peak  1711 weight  0.10000E+01 volume  0.14796E-02 ppm1      1.831 ppm2      0.544
 ASSI { 1712}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  1712 weight  0.11000E+01 volume  0.14332E-02 ppm1      2.516 ppm2      0.544
 ASSI { 1713}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
      2.900     1.100     1.100 peak  1713 weight  0.10000E+01 volume  0.15763E-02 ppm1      3.444 ppm2      0.544
 ASSI { 1714}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak  1714 weight  0.11000E+01 volume  0.26602E-02 ppm1      3.656 ppm2      0.544
 ASSI { 1715}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 63   and name HD1%)
      3.300     1.300     1.300 peak  1715 weight  0.10000E+01 volume  0.80826E-03 ppm1      3.386 ppm2      0.544
 ASSI { 1716}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
      3.000     1.100     1.100 peak  1716 weight  0.11000E+01 volume  0.13483E-02 ppm1      2.007 ppm2      0.544
 ASSI { 1718}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 63   and name HD1%)
      2.600     0.900     0.900 peak  1718 weight  0.10000E+01 volume  0.27934E-02 ppm1      1.277 ppm2      0.544
 OR { 1718}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI { 1720}
   (  segid "    " and resid 66   and name HG2%)
   (  segid "    " and resid 63   and name HD1%)
      2.900     1.000     1.000 peak  1720 weight  0.10000E+01 volume  0.16184E-02 ppm1      0.832 ppm2      0.544
 ASSI { 1721}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.600     0.600 peak  1721 weight  0.11000E+01 volume  0.71029E-02 ppm1      4.056 ppm2      0.718
 ASSI { 1723}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 53   and name HG  ))
      2.200     0.600     0.600 peak  1723 weight  0.10000E+01 volume  0.93762E-02 ppm1      1.398 ppm2      0.718
 OR { 1723}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 53   and name HD1%)
 ASSI { 1725}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
      3.300     3.300     2.700 peak  1725 weight  0.10000E+01 volume  0.71029E-03 ppm1      3.906 ppm2      1.670
 ASSI { 1726}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
      3.100     1.200     1.200 peak  1726 weight  0.10000E+01 volume  0.10833E-02 ppm1      3.777 ppm2      1.669
 ASSI { 1727}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 48   and name HG3 ))
      3.400     1.500     1.500 peak  1727 weight  0.10000E+01 volume  0.59580E-03 ppm1      3.902 ppm2      1.404
 ASSI { 1728}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HG3 ))
      2.500     0.800     0.800 peak  1728 weight  0.10000E+01 volume  0.41788E-02 ppm1      3.774 ppm2      1.404
 ASSI { 1729}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 48   and name HG2 ))
      3.000     1.100     1.100 peak  1729 weight  0.10000E+01 volume  0.13967E-02 ppm1      0.539 ppm2      1.667
 OR { 1729}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 1730}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 48   and name HG3 ))
      3.000     3.000     3.000 peak  1730 weight  0.10000E+01 volume  0.14187E-02 ppm1      0.544 ppm2      1.404
 ASSI { 1731}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      2.300     0.600     0.600 peak  1731 weight  0.11000E+01 volume  0.70526E-02 ppm1      3.794 ppm2      0.759
 ASSI { 1734}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HG  ))
      2.600     0.800     0.800 peak  1734 weight  0.10000E+01 volume  0.33096E-02 ppm1      1.084 ppm2      0.759
 ASSI { 1735}
   (  segid "    " and resid 46   and name HD1%)
   (  segid "    " and resid 19   and name HD% )
      2.900     2.900     3.100 peak  1735 weight  0.11000E+01 volume  0.10174E-02 ppm1      6.793 ppm2      0.934
 ASSI { 1736}
   (  segid "    " and resid 46   and name HD1%)
   (  segid "    " and resid 77   and name HE% )
      3.000     3.000     3.000 peak  1736 weight  0.11000E+01 volume  0.82961E-03 ppm1      7.488 ppm2      0.934
 ASSI { 1737}
   (  segid "    " and resid 46   and name HD1%)
   (  segid "    " and resid 19   and name HE% )
      2.600     2.600     3.400 peak  1737 weight  0.11000E+01 volume  0.22546E-02 ppm1      6.728 ppm2      0.937
 ASSI { 1740}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 19   and name HD% )
      3.100     1.200     1.200 peak  1740 weight  0.11000E+01 volume  0.75487E-03 ppm1      6.799 ppm2      1.298
 ASSI { 1741}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 19   and name HE% )
      2.800     1.000     1.000 peak  1741 weight  0.11000E+01 volume  0.13923E-02 ppm1      6.726 ppm2      1.298
 ASSI { 1742}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 60   and name HZ  ))
      3.300     1.400     1.400 peak  1742 weight  0.11000E+01 volume  0.49092E-03 ppm1      6.836 ppm2      0.544
 ASSI { 1743}
   (  segid "    " and resid 63   and name HD1%)
   (  segid "    " and resid 60   and name HE% )
      2.700     0.900     0.900 peak  1743 weight  0.11000E+01 volume  0.15700E-02 ppm1      6.750 ppm2      0.544
 ASSI { 1744}
   (  segid "    " and resid 63   and name HD1%)
   (  segid "    " and resid 60   and name HD% )
      2.400     0.700     0.700 peak  1744 weight  0.11000E+01 volume  0.37392E-02 ppm1      6.610 ppm2      0.544
 ASSI { 1748}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.500     0.800     0.800 peak  1748 weight  0.10000E+01 volume  0.42070E-02 ppm1      1.659 ppm2      0.761
 ASSI { 1750}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 25   and name HD1%)
      3.100     1.200     1.200 peak  1750 weight  0.10000E+01 volume  0.11204E-02 ppm1      0.345 ppm2      0.761
 ASSI { 1752}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 77   and name HD% )
      2.300     0.600     0.600 peak  1752 weight  0.11000E+01 volume  0.46925E-02 ppm1      7.518 ppm2      0.761
 ASSI { 1755}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 29   and name HD1%)
      2.900     1.100     1.100 peak  1755 weight  0.11000E+01 volume  0.15279E-02 ppm1      0.111 ppm2      1.094
 ASSI { 1757}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HG  ))
      3.200     3.200     2.800 peak  1757 weight  0.10000E+01 volume  0.92319E-03 ppm1      2.051 ppm2      1.094
 ASSI { 1760}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 29   and name HG  ))
      2.100     0.600     0.600 peak  1760 weight  0.10000E+01 volume  0.98849E-02 ppm1      0.766 ppm2      1.353
 ASSI { 1765}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.300     1.400     1.400 peak  1765 weight  0.11000E+01 volume  0.70212E-03 ppm1     -0.287 ppm2      1.353
 ASSI { 1769}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.900     1.100     1.100 peak  1769 weight  0.11000E+01 volume  0.14896E-02 ppm1      2.394 ppm2      1.498
 ASSI { 1781}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 25   and name HD1%)
      2.100     0.600     0.600 peak  1781 weight  0.11000E+01 volume  0.98409E-02 ppm1      0.770 ppm2      0.111
 ASSI { 1782}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak  1782 weight  0.11000E+01 volume  0.21780E-02 ppm1      2.720 ppm2      0.111
 ASSI { 1783}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 76   and name HB3 ))
      2.600     0.900     0.900 peak  1783 weight  0.11000E+01 volume  0.28173E-02 ppm1      3.100 ppm2      0.111
 ASSI { 1784}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.800     0.900     0.900 peak  1784 weight  0.11000E+01 volume  0.22063E-02 ppm1      3.971 ppm2      0.111
 ASSI { 1787}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  1787 weight  0.11000E+01 volume  0.73981E-03 ppm1      4.264 ppm2      0.111
 ASSI { 1788}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 40   and name HZ  ))
      3.000     1.100     1.100 peak  1788 weight  0.11000E+01 volume  0.97593E-03 ppm1      6.899 ppm2      0.111
 ASSI { 1789}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      2.800     1.000     1.000 peak  1789 weight  0.11000E+01 volume  0.13100E-02 ppm1      7.211 ppm2      0.111
 ASSI { 1790}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      2.400     0.700     0.700 peak  1790 weight  0.11000E+01 volume  0.32047E-02 ppm1      7.312 ppm2      0.111
 ASSI { 1791}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 76   and name HD% )
      2.400     2.400     3.600 peak  1791 weight  0.11000E+01 volume  0.31445E-02 ppm1      7.487 ppm2      0.111
 ASSI { 1794}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak  1794 weight  0.11000E+01 volume  0.93072E-03 ppm1      4.675 ppm2      1.970
 ASSI { 1795}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HD3 ))
      2.600     0.800     0.800 peak  1795 weight  0.11000E+01 volume  0.33379E-02 ppm1      3.695 ppm2      1.970
 ASSI { 1796}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.300     0.700     0.700 peak  1796 weight  0.10000E+01 volume  0.65251E-02 ppm1      2.314 ppm2      2.062
 ASSI { 1797}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.500     0.800     0.800 peak  1797 weight  0.10000E+01 volume  0.38705E-02 ppm1      2.314 ppm2      1.970
 ASSI { 1799}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  1799 weight  0.11000E+01 volume  0.20636E-02 ppm1      3.441 ppm2      1.265
 ASSI { 1800}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.100     1.100 peak  1800 weight  0.11000E+01 volume  0.16103E-02 ppm1      3.440 ppm2      1.844
 ASSI { 1801}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 74   and name HE% )
      3.200     3.200     2.800 peak  1801 weight  0.11000E+01 volume  0.61577E-03 ppm1      7.063 ppm2      1.461
 ASSI { 1803}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 74   and name HE% )
      3.000     3.000     3.000 peak  1803 weight  0.11000E+01 volume  0.84971E-03 ppm1      7.063 ppm2      1.625
 ASSI { 1804}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 74   and name HD% )
      2.900     2.900     3.100 peak  1804 weight  0.11000E+01 volume  0.12046E-02 ppm1      6.785 ppm2      1.627
 ASSI { 1805}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 74   and name HD% )
      2.700     2.700     3.300 peak  1805 weight  0.11000E+01 volume  0.18037E-02 ppm1      6.785 ppm2      1.461
 ASSI { 1808}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 60   and name HD% )
      2.900     1.100     1.100 peak  1808 weight  0.11000E+01 volume  0.10375E-02 ppm1      6.607 ppm2      1.266
 ASSI { 1809}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 74   and name HZ  ))
      3.200     3.200     2.800 peak  1809 weight  0.11000E+01 volume  0.62255E-03 ppm1      7.064 ppm2      1.266
 ASSI { 1814}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB3 ))
      2.500     0.800     0.800 peak  1814 weight  0.11000E+01 volume  0.35677E-02 ppm1      2.319 ppm2      1.415
 ASSI { 1815}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HB3 ))
      2.300     0.700     0.700 peak  1815 weight  0.11000E+01 volume  0.66758E-02 ppm1      1.824 ppm2      1.414
 ASSI { 1819}
   (( segid "    " and resid 42   and name HG2 ))
   (  segid "    " and resid 70   and name HE% )
      2.700     2.700     3.300 peak  1819 weight  0.11000E+01 volume  0.18897E-02 ppm1      6.791 ppm2      1.415
 ASSI { 1820}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 76   and name HE% )
      3.000     3.000     3.000 peak  1820 weight  0.11000E+01 volume  0.93449E-03 ppm1      6.969 ppm2      1.414
 ASSI { 1823}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 76   and name HD% )
      3.100     1.200     1.200 peak  1823 weight  0.11000E+01 volume  0.79004E-03 ppm1      7.487 ppm2      1.414
 ASSI { 1824}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 40   and name HZ  ))
      3.200     1.300     1.300 peak  1824 weight  0.11000E+01 volume  0.61432E-03 ppm1      6.887 ppm2      1.414
 ASSI { 1825}
   (( segid "    " and resid 47   and name HD2 ))
   (  segid "    " and resid 19   and name HD% )
      2.700     2.700     3.300 peak  1825 weight  0.11000E+01 volume  0.16166E-02 ppm1      6.793 ppm2      1.241
 ASSI { 1826}
   (( segid "    " and resid 47   and name HD2 ))
   (  segid "    " and resid 19   and name HE% )
      2.900     2.900     3.100 peak  1826 weight  0.11000E+01 volume  0.10375E-02 ppm1      6.738 ppm2      1.241
 ASSI { 1831}
   (( segid "    " and resid 75   and name HD2 ))
   (  segid "    " and resid 76   and name HE% )
      3.200     3.200     2.800 peak  1831 weight  0.11000E+01 volume  0.62255E-03 ppm1      6.966 ppm2      1.411
 ASSI { 1832}
   (( segid "    " and resid 75   and name HD2 ))
   (  segid "    " and resid 76   and name HD% )
      3.400     3.400     2.600 peak  1832 weight  0.11000E+01 volume  0.41474E-03 ppm1      7.478 ppm2      1.411
 ASSI { 1835}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 83   and name HA  ))
      3.000     3.000     3.000 peak  1835 weight  0.11000E+01 volume  0.11970E-02 ppm1      4.379 ppm2      1.672
 ASSI { 1837}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 48   and name HD2 ))
      3.100     1.200     1.200 peak  1837 weight  0.10000E+01 volume  0.99352E-03 ppm1      3.891 ppm2      1.626
 ASSI { 1839}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 21   and name HB2 ))
      2.900     1.100     1.100 peak  1839 weight  0.10000E+01 volume  0.16103E-02 ppm1      0.930 ppm2      2.018
 ASSI { 1842}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak  1842 weight  0.11000E+01 volume  0.14853E-02 ppm1      3.533 ppm2      1.057
 ASSI { 1845}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak  1845 weight  0.11000E+01 volume  0.22376E-02 ppm1      3.532 ppm2      1.541
 ASSI { 1850}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.900     0.900 peak  1850 weight  0.11000E+01 volume  0.28455E-02 ppm1      4.276 ppm2      1.668
 ASSI { 1853}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.700     0.900     0.900 peak  1853 weight  0.11000E+01 volume  0.24204E-02 ppm1      3.013 ppm2      1.668
 ASSI { 1854}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 70   and name HE% )
      2.800     2.800     3.200 peak  1854 weight  0.11000E+01 volume  0.13100E-02 ppm1      6.791 ppm2      1.975
 ASSI { 1855}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 70   and name HD% )
      2.500     0.800     0.800 peak  1855 weight  0.11000E+01 volume  0.26602E-02 ppm1      7.229 ppm2      1.975
 ASSI { 1856}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 70   and name HE% )
      3.100     1.200     1.200 peak  1856 weight  0.11000E+01 volume  0.80951E-03 ppm1      6.791 ppm2      2.106
 ASSI { 1861}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.900     1.000     1.000 peak  1861 weight  0.11000E+01 volume  0.16793E-02 ppm1      0.198 ppm2      1.436
 ASSI { 1862}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
      3.100     1.200     1.200 peak  1862 weight  0.11000E+01 volume  0.11600E-02 ppm1      0.467 ppm2      1.436
 ASSI { 1864}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HE2 ))
      3.000     3.000     3.000 peak  1864 weight  0.11000E+01 volume  0.12818E-02 ppm1      2.500 ppm2      1.436
 ASSI { 1868}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak  1868 weight  0.11000E+01 volume  0.92758E-03 ppm1      3.661 ppm2      1.064
 ASSI { 1871}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HD3 ))
      3.400     1.400     1.400 peak  1871 weight  0.11000E+01 volume  0.64497E-03 ppm1      3.384 ppm2      1.064
 ASSI { 1874}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HD3 ))
      3.300     1.400     1.400 peak  1874 weight  0.11000E+01 volume  0.75174E-03 ppm1      3.384 ppm2      1.280
 ASSI { 1876}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.900     1.000     1.000 peak  1876 weight  0.11000E+01 volume  0.17277E-02 ppm1      1.856 ppm2      1.280
 ASSI { 1877}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.800     1.000     1.000 peak  1877 weight  0.11000E+01 volume  0.17898E-02 ppm1      1.856 ppm2      1.064
 ASSI { 1878}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 52   and name HG2%)
      3.000     1.100     1.100 peak  1878 weight  0.11000E+01 volume  0.14149E-02 ppm1      0.599 ppm2      1.064
 ASSI { 1879}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 52   and name HG2%)
      2.800     2.800     3.200 peak  1879 weight  0.11000E+01 volume  0.19179E-02 ppm1      0.599 ppm2      1.280
 ASSI { 1889}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak  1889 weight  0.11000E+01 volume  0.43045E-02 ppm1      2.105 ppm2      1.842
 ASSI { 1893}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.900     2.900     3.100 peak  1893 weight  0.10000E+01 volume  0.16385E-02 ppm1      2.032 ppm2      2.714
 ASSI { 1895}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     2.500     3.500 peak  1895 weight  0.11000E+01 volume  0.38761E-02 ppm1      4.672 ppm2      2.322
 ASSI { 1896}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak  1896 weight  0.11000E+01 volume  0.25428E-02 ppm1      4.670 ppm2      1.831
 ASSI { 1899}
   (  segid "    " and resid 77   and name HE% )
   (( segid "    " and resid 41   and name HG2 ))
      3.100     3.100     2.900 peak  1899 weight  0.10000E+01 volume  0.78816E-03 ppm1      7.472 ppm2      2.406
 ASSI { 1903}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.100     3.100     2.900 peak  1903 weight  0.10000E+01 volume  0.98912E-03 ppm1      4.121 ppm2      2.406
 ASSI { 1904}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 36   and name HD3 ))
      3.100     1.200     1.200 peak  1904 weight  0.11000E+01 volume  0.10186E-02 ppm1      3.698 ppm2      2.406
 ASSI { 1905}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HD3 ))
      3.200     1.300     1.300 peak  1905 weight  0.11000E+01 volume  0.81327E-03 ppm1      3.695 ppm2      2.017
 ASSI { 1907}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD2 ))
      2.700     2.700     3.300 peak  1907 weight  0.11000E+01 volume  0.25592E-02 ppm1      3.585 ppm2      2.017
 ASSI { 1908}
   (  segid "    " and resid 60   and name HE% )
   (( segid "    " and resid 49   and name HB3 ))
      3.100     3.100     2.900 peak  1908 weight  0.10000E+01 volume  0.79004E-03 ppm1      6.753 ppm2      2.017
 ASSI { 1909}
   (  segid "    " and resid 60   and name HE% )
   (( segid "    " and resid 49   and name HB2 ))
      3.100     1.200     1.200 peak  1909 weight  0.10000E+01 volume  0.73226E-03 ppm1      6.753 ppm2      2.517
 ASSI { 1910}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 40   and name HD% )
      3.100     3.100     2.900 peak  1910 weight  0.11000E+01 volume  0.80448E-03 ppm1      7.211 ppm2      2.764
 ASSI { 1911}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 40   and name HE% )
      3.000     3.000     3.000 peak  1911 weight  0.11000E+01 volume  0.90183E-03 ppm1      7.312 ppm2      2.764
 ASSI { 1912}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      3.200     3.200     2.800 peak  1912 weight  0.11000E+01 volume  0.61859E-03 ppm1      7.211 ppm2      2.703
 ASSI { 1913}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      3.100     3.100     2.900 peak  1913 weight  0.11000E+01 volume  0.72347E-03 ppm1      7.312 ppm2      2.703
 ASSI { 1914}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 30   and name HA1 ))
      3.300     1.400     1.400 peak  1914 weight  0.11000E+01 volume  0.74482E-03 ppm1      4.145 ppm2      2.703
 ASSI { 1915}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 30   and name HA1 ))
      3.300     1.300     1.300 peak  1915 weight  0.11000E+01 volume  0.77999E-03 ppm1      4.145 ppm2      2.763
 ASSI { 1916}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 30   and name HA2 ))
      3.300     3.300     2.700 peak  1916 weight  0.11000E+01 volume  0.77120E-03 ppm1      3.668 ppm2      2.763
 ASSI { 1917}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 30   and name HA2 ))
      3.500     1.500     1.500 peak  1917 weight  0.11000E+01 volume  0.56722E-03 ppm1      3.668 ppm2      2.703
 ASSI { 1924}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 37   and name HB  ))
      2.900     1.000     1.000 peak  1924 weight  0.10000E+01 volume  0.17113E-02 ppm1      4.164 ppm2      2.191
 ASSI { 1925}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 30   and name HA2 ))
      3.100     1.200     1.200 peak  1925 weight  0.11000E+01 volume  0.11832E-02 ppm1      3.668 ppm2      2.191
 ASSI { 1926}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 37   and name HB  ))
      2.700     2.700     3.300 peak  1926 weight  0.10000E+01 volume  0.17697E-02 ppm1      7.215 ppm2      2.194
 ASSI { 1927}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 66   and name HB  ))
      2.700     2.700     3.300 peak  1927 weight  0.10000E+01 volume  0.18527E-02 ppm1      7.214 ppm2      2.108
 ASSI { 1928}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HB  ))
      3.000     1.100     1.100 peak  1928 weight  0.10000E+01 volume  0.12592E-02 ppm1      0.619 ppm2      2.108
 ASSI { 1929}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak  1929 weight  0.11000E+01 volume  0.14387E-02 ppm1      3.966 ppm2      1.889
 ASSI { 1930}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak  1930 weight  0.11000E+01 volume  0.18953E-02 ppm1      3.966 ppm2      2.278
 ASSI { 1931}
   (( segid "    " and resid 49   and name HG3 ))
   (  segid "    " and resid 49   and name HE% )
      2.500     2.500     3.500 peak  1931 weight  0.11000E+01 volume  0.39784E-02 ppm1      1.407 ppm2      1.889
 ASSI { 1932}
   (( segid "    " and resid 49   and name HG2 ))
   (  segid "    " and resid 49   and name HE% )
      2.600     0.800     0.800 peak  1932 weight  0.11000E+01 volume  0.32896E-02 ppm1      1.407 ppm2      2.278
 ASSI { 1935}
   (( segid "    " and resid 49   and name HG2 ))
   (  segid "    " and resid 63   and name HD1%)
      3.400     1.400     1.400 peak  1935 weight  0.11000E+01 volume  0.65188E-03 ppm1      0.552 ppm2      2.278
 ASSI { 1941}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak  1941 weight  0.11000E+01 volume  0.69333E-03 ppm1      7.211 ppm2      1.857
 ASSI { 1942}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 77   and name HZ  ))
      3.000     1.200     1.200 peak  1942 weight  0.11000E+01 volume  0.81956E-03 ppm1      7.419 ppm2      1.857
 ASSI { 1943}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 77   and name HE% )
      3.100     3.100     2.900 peak  1943 weight  0.11000E+01 volume  0.72536E-03 ppm1      7.489 ppm2      1.857
 ASSI { 1944}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak  1944 weight  0.11000E+01 volume  0.81203E-03 ppm1      7.211 ppm2      1.892
 ASSI { 1945}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 77   and name HZ  ))
      3.000     1.200     1.200 peak  1945 weight  0.11000E+01 volume  0.83777E-03 ppm1      7.419 ppm2      1.892
 ASSI { 1946}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 77   and name HE% )
      3.000     3.000     3.000 peak  1946 weight  0.11000E+01 volume  0.89744E-03 ppm1      7.492 ppm2      1.892
 ASSI { 1947}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HB3 ))
      2.400     0.700     0.700 peak  1947 weight  0.11000E+01 volume  0.54493E-02 ppm1      3.144 ppm2      2.695
 ASSI { 1951}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 70   and name HD% )
      2.500     2.500     3.500 peak  1951 weight  0.11000E+01 volume  0.27005E-02 ppm1      7.229 ppm2      2.695
 ASSI { 1952}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 70   and name HD% )
      2.500     0.800     0.800 peak  1952 weight  0.11000E+01 volume  0.26478E-02 ppm1      7.229 ppm2      3.144
 ASSI { 1954}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.300     0.600     0.600 peak  1954 weight  0.11000E+01 volume  0.72975E-02 ppm1      2.714 ppm2      3.102
 ASSI { 1955}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 76   and name HD% )
      2.400     2.400     3.600 peak  1955 weight  0.11000E+01 volume  0.35508E-02 ppm1      7.487 ppm2      2.714
 ASSI { 1956}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 76   and name HD% )
      2.400     0.700     0.700 peak  1956 weight  0.11000E+01 volume  0.33989E-02 ppm1      7.487 ppm2      3.102
 ASSI { 1957}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      3.000     1.100     1.100 peak  1957 weight  0.11000E+01 volume  0.13239E-02 ppm1      4.385 ppm2      2.521
 ASSI { 1959}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.100     0.600     0.600 peak  1959 weight  0.11000E+01 volume  0.10092E-01 ppm1      2.756 ppm2      2.521
 ASSI { 1962}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 74   and name HD% )
      3.000     3.000     3.000 peak  1962 weight  0.11000E+01 volume  0.99728E-03 ppm1      6.785 ppm2      2.521
 ASSI { 1963}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 74   and name HE% )
      3.100     3.100     2.900 peak  1963 weight  0.11000E+01 volume  0.67512E-03 ppm1      7.063 ppm2      2.521
 ASSI { 1964}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD% )
      2.400     2.400     3.600 peak  1964 weight  0.11000E+01 volume  0.37561E-02 ppm1      6.615 ppm2      2.756
 ASSI { 1965}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 74   and name HD% )
      3.000     3.000     3.000 peak  1965 weight  0.11000E+01 volume  0.97029E-03 ppm1      6.785 ppm2      2.756
 ASSI { 1966}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 74   and name HE% )
      3.100     3.100     2.900 peak  1966 weight  0.11000E+01 volume  0.81203E-03 ppm1      7.063 ppm2      2.756
 ASSI { 1967}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HE% )
      3.000     3.000     3.000 peak  1967 weight  0.11000E+01 volume  0.99038E-03 ppm1      6.728 ppm2      3.122
 ASSI { 1968}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 19   and name HE% )
      3.100     3.100     2.900 peak  1968 weight  0.11000E+01 volume  0.71719E-03 ppm1      6.728 ppm2      2.952
 ASSI { 1969}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.300     0.700     0.700 peak  1969 weight  0.11000E+01 volume  0.66946E-02 ppm1      3.122 ppm2      2.952
 ASSI { 1971}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 50   and name HB% )
      2.800     2.800     3.200 peak  1971 weight  0.11000E+01 volume  0.20410E-02 ppm1      1.485 ppm2      2.952
 ASSI { 1972}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
      3.000     1.100     1.100 peak  1972 weight  0.11000E+01 volume  0.13320E-02 ppm1      1.485 ppm2      3.122
 ASSI { 1975}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 74   and name HD% )
      2.300     2.300     3.700 peak  1975 weight  0.11000E+01 volume  0.45895E-02 ppm1      6.785 ppm2      2.553
 ASSI { 1977}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 74   and name HE% )
      3.100     3.100     2.900 peak  1977 weight  0.11000E+01 volume  0.68831E-03 ppm1      7.063 ppm2      2.508
 ASSI { 1978}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 74   and name HE% )
      3.100     3.100     2.900 peak  1978 weight  0.11000E+01 volume  0.73352E-03 ppm1      7.063 ppm2      2.553
 ASSI { 1979}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 60   and name HD% )
      3.100     3.100     2.900 peak  1979 weight  0.11000E+01 volume  0.70651E-03 ppm1      6.610 ppm2      2.508
 ASSI { 1980}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 60   and name HD% )
      3.100     3.100     2.900 peak  1980 weight  0.11000E+01 volume  0.69207E-03 ppm1      6.609 ppm2      2.553
 ASSI { 1983}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 69   and name HG3 ))
      3.500     1.600     1.600 peak  1983 weight  0.11000E+01 volume  0.49306E-03 ppm1      0.467 ppm2      2.366
 ASSI { 1984}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 70   and name HE% )
      2.600     2.600     3.400 peak  1984 weight  0.11000E+01 volume  0.19268E-02 ppm1      6.798 ppm2      2.366
 ASSI { 1992}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     3.000     3.000 peak  1992 weight  0.11000E+01 volume  0.13703E-02 ppm1      4.138 ppm2      3.122
 ASSI { 1993}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.200     1.200 peak  1993 weight  0.11000E+01 volume  0.12001E-02 ppm1      4.138 ppm2      2.952
 ASSI { 1998}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 81   and name HG2%)
      2.900     2.900     3.100 peak  1998 weight  0.11000E+01 volume  0.16611E-02 ppm1      0.657 ppm2      1.936
 ASSI { 2000}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      2.600     0.800     0.800 peak  2000 weight  0.11000E+01 volume  0.22916E-02 ppm1      7.211 ppm2      3.337
 ASSI { 2001}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 30   and name HA1 ))
      3.500     1.600     1.600 peak  2001 weight  0.11000E+01 volume  0.49732E-03 ppm1      4.145 ppm2      2.801
 ASSI { 2002}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD% )
      2.500     0.800     0.800 peak  2002 weight  0.11000E+01 volume  0.26478E-02 ppm1      7.211 ppm2      2.801
 ASSI { 2006}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.400     0.700     0.700 peak  2006 weight  0.11000E+01 volume  0.49437E-02 ppm1      3.337 ppm2      2.801
 ASSI { 2011}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG  ))
      3.000     1.100     1.100 peak  2011 weight  0.11000E+01 volume  0.13383E-02 ppm1      1.353 ppm2      0.805
 ASSI { 2013}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      2.400     0.700     0.700 peak  2013 weight  0.11000E+01 volume  0.46862E-02 ppm1     -0.287 ppm2      0.805
 ASSI { 2018}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak  2018 weight  0.11000E+01 volume  0.11775E-02 ppm1      3.971 ppm2      0.805
 ASSI { 2019}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD% )
      2.300     2.300     3.700 peak  2019 weight  0.11000E+01 volume  0.48521E-02 ppm1      7.220 ppm2      4.358
 ASSI { 2020}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD% )
      2.100     0.600     0.600 peak  2020 weight  0.11000E+01 volume  0.72159E-02 ppm1      6.785 ppm2      4.276
 ASSI { 2022}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD% )
      2.100     2.100     3.900 peak  2022 weight  0.11000E+01 volume  0.69835E-02 ppm1      7.487 ppm2      4.265
 ASSI { 2023}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      2.500     0.800     0.800 peak  2023 weight  0.11000E+01 volume  0.27734E-02 ppm1      6.793 ppm2      3.992
 ASSI { 2024}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HE% )
      3.000     3.000     3.000 peak  2024 weight  0.11000E+01 volume  0.85850E-03 ppm1      6.728 ppm2      3.992
 ASSI { 2025}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.400     2.400     3.600 peak  2025 weight  0.11000E+01 volume  0.37216E-02 ppm1      7.211 ppm2      3.843
 ASSI { 2026}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.000     3.000     3.000 peak  2026 weight  0.11000E+01 volume  0.88362E-03 ppm1      7.312 ppm2      3.843
 ASSI { 2027}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HD% )
      2.300     0.700     0.700 peak  2027 weight  0.11000E+01 volume  0.42416E-02 ppm1      6.610 ppm2      3.666
 ASSI { 2028}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HE% )
      3.200     1.300     1.300 peak  2028 weight  0.11000E+01 volume  0.64685E-03 ppm1      6.748 ppm2      3.666
 ASSI { 2031}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 60   and name HD% )
      3.200     3.200     2.800 peak  2031 weight  0.11000E+01 volume  0.66820E-03 ppm1      6.604 ppm2      3.106
 ASSI { 2032}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 60   and name HE% )
      2.600     2.600     3.400 peak  2032 weight  0.11000E+01 volume  0.20524E-02 ppm1      6.764 ppm2      3.106
 ASSI { 2033}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 74   and name HE% )
      2.800     2.800     3.200 peak  2033 weight  0.11000E+01 volume  0.14250E-02 ppm1      7.063 ppm2      3.107
 ASSI { 2034}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 60   and name HZ  ))
      3.200     3.200     2.800 peak  2034 weight  0.11000E+01 volume  0.61507E-03 ppm1      6.832 ppm2      3.106
 ASSI { 2055}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 60   and name HZ  ))
      3.500     1.500     1.500 peak  2055 weight  0.11000E+01 volume  0.38648E-03 ppm1      6.847 ppm2      0.657
 ASSI { 2061}
   (( segid "    " and resid 69   and name HE2 ))
   (  segid "    " and resid 70   and name HE% )
      2.300     2.300     3.700 peak  2061 weight  0.11000E+01 volume  0.46982E-02 ppm1      6.794 ppm2      2.500
 ASSI { 2066}
   (( segid "    " and resid 75   and name HE3 ))
   (  segid "    " and resid 76   and name HE% )
      2.400     2.400     3.600 peak  2066 weight  0.11000E+01 volume  0.31282E-02 ppm1      6.969 ppm2      2.625
 ASSI { 2067}
   (( segid "    " and resid 69   and name HE2 ))
   (  segid "    " and resid 70   and name HD% )
      2.900     2.900     3.100 peak  2067 weight  0.11000E+01 volume  0.11028E-02 ppm1      7.229 ppm2      2.500
 ASSI { 2071}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 19   and name HD% )
      2.900     1.000     1.000 peak  2071 weight  0.11000E+01 volume  0.11405E-02 ppm1      6.793 ppm2      2.394
 ASSI { 2074}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
      2.400     0.700     0.700 peak  2074 weight  0.11000E+01 volume  0.45437E-02 ppm1      1.236 ppm2      2.394
 ASSI { 2082}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      2.300     0.700     0.700 peak  2082 weight  0.11000E+01 volume  0.57319E-02 ppm1      3.955 ppm2      2.757
 ASSI { 2083}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      2.900     1.100     1.100 peak  2083 weight  0.11000E+01 volume  0.10790E-02 ppm1      6.793 ppm2      1.237
 ASSI { 2087}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.200     0.600     0.600 peak  2087 weight  0.11000E+01 volume  0.86289E-02 ppm1      2.011 ppm2      1.385
 ASSI { 2090}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak  2090 weight  0.11000E+01 volume  0.20662E-02 ppm1      3.992 ppm2      2.011
 ASSI { 2098}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name HB2 ))
      2.200     0.600     0.600 peak  2098 weight  0.11000E+01 volume  0.86414E-02 ppm1      2.019 ppm2      1.369
 ASSI { 2102}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HG  ))
      2.600     0.900     0.900 peak  2102 weight  0.11000E+01 volume  0.29348E-02 ppm1      1.514 ppm2      1.237
 ASSI { 2103}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  2103 weight  0.11000E+01 volume  0.19783E-02 ppm1      3.451 ppm2      1.546
 ASSI { 2106}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG  ))
      3.000     1.200     1.200 peak  2106 weight  0.11000E+01 volume  0.12115E-02 ppm1      1.088 ppm2      2.021
 ASSI { 2108}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.900     1.000     1.000 peak  2108 weight  0.10000E+01 volume  0.16567E-02 ppm1      1.092 ppm2      1.522
 ASSI { 2109}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 25   and name HB3 ))
      3.100     3.100     2.900 peak  2109 weight  0.10000E+01 volume  0.11104E-02 ppm1      0.628 ppm2      1.522
 ASSI { 2110}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 77   and name HD% )
      2.900     2.900     3.100 peak  2110 weight  0.11000E+01 volume  0.10601E-02 ppm1      7.519 ppm2      2.021
 ASSI { 2111}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 77   and name HD% )
      3.100     1.200     1.200 peak  2111 weight  0.11000E+01 volume  0.68831E-03 ppm1      7.519 ppm2      1.522
 ASSI { 2113}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     2.900     3.100 peak  2113 weight  0.11000E+01 volume  0.17333E-02 ppm1      3.875 ppm2      1.495
 ASSI { 2115}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.400     0.700     0.700 peak  2115 weight  0.11000E+01 volume  0.46806E-02 ppm1      1.417 ppm2      2.929
 ASSI { 2117}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     0.800     0.800 peak  2117 weight  0.11000E+01 volume  0.34591E-02 ppm1      1.543 ppm2      2.929
 ASSI { 2120}
   (( segid "    " and resid 23   and name HD3 ))
   (  segid "    " and resid 19   and name HD% )
      3.000     3.000     3.000 peak  2120 weight  0.11000E+01 volume  0.82835E-03 ppm1      6.793 ppm2      3.007
 ASSI { 2121}
   (( segid "    " and resid 23   and name HD2 ))
   (  segid "    " and resid 19   and name HD% )
      3.100     3.100     2.900 peak  2121 weight  0.11000E+01 volume  0.76492E-03 ppm1      6.793 ppm2      2.929
 ASSI { 2131}
   (( segid "    " and resid 73   and name HD3 ))
   (( segid "    " and resid 73   and name HD2 ))
      2.400     0.700     0.700 peak  2131 weight  0.11000E+01 volume  0.49035E-02 ppm1      2.527 ppm2      1.214
 ASSI { 2132}
   (( segid "    " and resid 73   and name HD3 ))
   (( segid "    " and resid 73   and name HB2 ))
      3.100     1.200     1.200 peak  2132 weight  0.11000E+01 volume  0.98159E-03 ppm1      2.105 ppm2      1.214
 ASSI { 2133}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HB2 ))
      3.100     1.200     1.200 peak  2133 weight  0.11000E+01 volume  0.10400E-02 ppm1      2.105 ppm2      2.527
 ASSI { 2136}
   (( segid "    " and resid 73   and name HD3 ))
   (( segid "    " and resid 73   and name HB3 ))
      2.800     1.000     1.000 peak  2136 weight  0.11000E+01 volume  0.19035E-02 ppm1      1.842 ppm2      1.214
 ASSI { 2137}
   (( segid "    " and resid 73   and name HD3 ))
   (( segid "    " and resid 73   and name HG2 ))
      3.100     1.200     1.200 peak  2137 weight  0.11000E+01 volume  0.10343E-02 ppm1      1.409 ppm2      1.214
 ASSI { 2140}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HG2 ))
      3.000     1.200     1.200 peak  2140 weight  0.11000E+01 volume  0.12158E-02 ppm1      1.409 ppm2      2.527
 ASSI { 2141}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HB3 ))
      2.700     0.900     0.900 peak  2141 weight  0.11000E+01 volume  0.22232E-02 ppm1      1.842 ppm2      2.527
 ASSI { 2144}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 40   and name HD% )
      2.700     2.700     3.300 peak  2144 weight  0.11000E+01 volume  0.15537E-02 ppm1      7.211 ppm2      3.668
 ASSI { 2145}
   (( segid "    " and resid 30   and name HA1 ))
   (  segid "    " and resid 40   and name HD% )
      2.800     2.800     3.200 peak  2145 weight  0.11000E+01 volume  0.13302E-02 ppm1      7.211 ppm2      4.145
 ASSI { 2146}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.500     1.500 peak  2146 weight  0.11000E+01 volume  0.59366E-03 ppm1      3.337 ppm2      3.668
 ASSI { 2147}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 40   and name HB3 ))
      3.100     1.200     1.200 peak  2147 weight  0.11000E+01 volume  0.10029E-02 ppm1      2.790 ppm2      3.668
 ASSI { 2149}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak  2149 weight  0.11000E+01 volume  0.63052E-03 ppm1      3.337 ppm2      4.145
 ASSI { 2159}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.500     0.800     0.800 peak  2159 weight  0.11000E+01 volume  0.35904E-02 ppm1      4.866 ppm2      2.543
 ASSI { 2160}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak  2160 weight  0.11000E+01 volume  0.27124E-02 ppm1      4.866 ppm2      2.647
 ASSI { 2161}
   (( segid "    " and resid 42   and name HD3 ))
   (  segid "    " and resid 70   and name HE% )
      2.800     2.800     3.200 peak  2161 weight  0.11000E+01 volume  0.12736E-02 ppm1      6.790 ppm2      2.543
 ASSI { 2162}
   (( segid "    " and resid 42   and name HD2 ))
   (  segid "    " and resid 70   and name HE% )
      2.900     2.900     3.100 peak  2162 weight  0.11000E+01 volume  0.10318E-02 ppm1      6.794 ppm2      2.647
 ASSI { 2163}
   (( segid "    " and resid 42   and name HD3 ))
   (  segid "    " and resid 70   and name HD% )
      3.000     3.000     3.000 peak  2163 weight  0.11000E+01 volume  0.90057E-03 ppm1      7.229 ppm2      2.543
 ASSI { 2164}
   (( segid "    " and resid 42   and name HD2 ))
   (  segid "    " and resid 70   and name HD% )
      3.100     3.100     2.900 peak  2164 weight  0.11000E+01 volume  0.72849E-03 ppm1      7.229 ppm2      2.647
 ASSI { 2167}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HD2 ))
      3.400     1.500     1.500 peak  2167 weight  0.10000E+01 volume  0.59938E-03 ppm1      2.332 ppm2      2.647
 ASSI { 2168}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak  2168 weight  0.11000E+01 volume  0.46235E-02 ppm1      5.021 ppm2      3.695
 ASSI { 2169}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 70   and name HE% )
      2.800     2.800     3.200 peak  2169 weight  0.11000E+01 volume  0.12573E-02 ppm1      6.800 ppm2      4.868
 ASSI { 2171}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 70   and name HD% )
      2.700     2.700     3.300 peak  2171 weight  0.11000E+01 volume  0.17176E-02 ppm1      7.229 ppm2      4.868
 ASSI { 2172}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.400     0.700     0.700 peak  2172 weight  0.10000E+01 volume  0.55944E-02 ppm1      1.983 ppm2      3.585
 ASSI { 2177}
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     3.000     3.000 peak  2177 weight  0.11000E+01 volume  0.13766E-02 ppm1      4.125 ppm2      3.585
 ASSI { 2178}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.800     2.800     3.200 peak  2178 weight  0.11000E+01 volume  0.19663E-02 ppm1      4.124 ppm2      3.695
 ASSI { 2190}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      3.500     1.500     1.500 peak  2190 weight  0.11000E+01 volume  0.52797E-03 ppm1      1.415 ppm2      4.868
 ASSI { 2192}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.000     0.500     0.500 peak  2192 weight  0.10000E+01 volume  0.14821E-01 ppm1      3.700 ppm2      3.585
 ASSI { 2197}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak  2197 weight  0.10000E+01 volume  0.78062E-02 ppm1      1.402 ppm2      3.799
 ASSI { 2200}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HD3 ))
      2.700     0.900     0.900 peak  2200 weight  0.11000E+01 volume  0.24518E-02 ppm1      3.378 ppm2      3.776
 ASSI { 2202}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
      2.200     0.600     0.600 peak  2202 weight  0.10000E+01 volume  0.85410E-02 ppm1      0.817 ppm2      4.056
 OR { 2202}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 2212}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.200     1.300     1.300 peak  2212 weight  0.11000E+01 volume  0.95458E-03 ppm1      2.066 ppm2      4.667
 ASSI { 2216}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.000     1.100     1.100 peak  2216 weight  0.11000E+01 volume  0.12874E-02 ppm1      1.668 ppm2      3.410
 ASSI { 2219}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 60   and name HD% )
      2.800     2.800     3.200 peak  2219 weight  0.11000E+01 volume  0.12610E-02 ppm1      6.610 ppm2      4.385
 ASSI { 2222}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      2.300     0.700     0.700 peak  2222 weight  0.11000E+01 volume  0.44012E-02 ppm1      6.801 ppm2      3.757
 ASSI { 2224}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.500     0.800     0.800 peak  2224 weight  0.11000E+01 volume  0.43045E-02 ppm1      1.482 ppm2      3.756
 ASSI { 2225}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      2.200     0.600     0.600 peak  2225 weight  0.11000E+01 volume  0.82459E-02 ppm1      4.135 ppm2      5.012
 ASSI { 2229}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 77   and name HZ  ))
      2.600     0.800     0.800 peak  2229 weight  0.11000E+01 volume  0.20976E-02 ppm1      7.429 ppm2      3.971
 ASSI { 2230}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.200     1.300     1.300 peak  2230 weight  0.11000E+01 volume  0.59862E-03 ppm1      7.312 ppm2      3.971
 ASSI { 2231}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 77   and name HE% )
      2.700     2.700     3.300 peak  2231 weight  0.11000E+01 volume  0.18778E-02 ppm1      7.503 ppm2      4.185
 ASSI { 2232}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 77   and name HE% )
      3.000     1.200     1.200 peak  2232 weight  0.11000E+01 volume  0.83463E-03 ppm1      7.501 ppm2      4.453
 ASSI { 2233}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 46   and name HD1%)
      2.900     1.000     1.000 peak  2233 weight  0.11000E+01 volume  0.17233E-02 ppm1      0.934 ppm2      4.454
 ASSI { 2236}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 46   and name HD2%)
      2.800     1.000     1.000 peak  2236 weight  0.11000E+01 volume  0.19123E-02 ppm1      0.631 ppm2      4.185
 ASSI { 2238}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 80   and name HB  ))
      2.900     1.000     1.000 peak  2238 weight  0.10000E+01 volume  0.17076E-02 ppm1      0.932 ppm2      3.971
 ASSI { 2239}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 80   and name HB  ))
      2.500     0.800     0.800 peak  2239 weight  0.10000E+01 volume  0.40130E-02 ppm1      0.764 ppm2      3.971
 ASSI { 2240}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 18   and name HB  ))
      3.400     1.400     1.400 peak  2240 weight  0.10000E+01 volume  0.61935E-03 ppm1      0.931 ppm2      4.386
 ASSI { 2242}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 18   and name HB  ))
      2.600     0.800     0.800 peak  2242 weight  0.10000E+01 volume  0.31966E-02 ppm1      1.483 ppm2      4.386
 ASSI { 2243}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  2243 weight  0.11000E+01 volume  0.45952E-02 ppm1      3.972 ppm2      4.386
 ASSI { 2245}
   (  segid "    " and resid 80   and name HG2%)
   (  segid "    " and resid 77   and name HD% )
      3.100     1.200     1.200 peak  2245 weight  0.11000E+01 volume  0.75990E-03 ppm1      7.513 ppm2      1.174
 ASSI { 2261}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      3.100     1.200     1.200 peak  2261 weight  0.11000E+01 volume  0.10601E-02 ppm1      1.938 ppm2      3.816
 ASSI { 2265}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
      2.700     0.900     0.900 peak  2265 weight  0.11000E+01 volume  0.25428E-02 ppm1      0.857 ppm2      3.816
 ASSI { 2267}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.000     1.100     1.100 peak  2267 weight  0.11000E+01 volume  0.13076E-02 ppm1      2.020 ppm2      3.451
 ASSI { 2268}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
      2.800     2.800     3.200 peak  2268 weight  0.11000E+01 volume  0.19154E-02 ppm1      0.934 ppm2      3.451
 ASSI { 2269}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
      2.400     0.700     0.700 peak  2269 weight  0.11000E+01 volume  0.51749E-02 ppm1      0.857 ppm2      3.451
 ASSI { 2270}
   (( segid "    " and resid 81   and name HG13))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.900     0.900 peak  2270 weight  0.10000E+01 volume  0.29020E-02 ppm1      0.731 ppm2      3.451
 ASSI { 2272}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 77   and name HZ  ))
      2.900     1.100     1.100 peak  2272 weight  0.11000E+01 volume  0.10117E-02 ppm1      7.430 ppm2      4.452
 ASSI { 2274}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak  2274 weight  0.11000E+01 volume  0.24662E-02 ppm1      3.873 ppm2      4.185
 ASSI { 2275}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     2.700     3.300 peak  2275 weight  0.11000E+01 volume  0.22521E-02 ppm1      3.873 ppm2      4.454
 ASSI { 2277}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      3.300     1.400     1.400 peak  2277 weight  0.10000E+01 volume  0.75990E-03 ppm1      0.817 ppm2      4.188
 ASSI { 2285}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.500     1.500 peak  2285 weight  0.10000E+01 volume  0.57225E-03 ppm1      3.585 ppm2      4.406
 ASSI { 2286}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     2.600     3.400 peak  2286 weight  0.10000E+01 volume  0.31891E-02 ppm1      2.218 ppm2      4.406
 ASSI { 2289}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     3.000     3.000 peak  2289 weight  0.10000E+01 volume  0.12692E-02 ppm1      3.639 ppm2      4.188
 ASSI { 2304}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      3.200     1.300     1.300 peak  2304 weight  0.11000E+01 volume  0.84971E-03 ppm1      1.018 ppm2      4.406
 ASSI { 2311}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 60   and name HB3 ))
      2.500     0.800     0.800 peak  2311 weight  0.11000E+01 volume  0.25629E-02 ppm1      2.521 ppm2      6.610
 ASSI { 2316}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HG  ))
      2.800     0.900     0.900 peak  2316 weight  0.11000E+01 volume  0.22063E-02 ppm1      1.676 ppm2      3.666
 ASSI { 2317}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.900     1.000     1.000 peak  2317 weight  0.11000E+01 volume  0.17559E-02 ppm1      1.276 ppm2      3.666
 ASSI { 2320}
   (  segid "    " and resid 60   and name HD% )
   (  segid "    " and resid 60   and name HE% )
      1.800     1.800     4.200 peak  2320 weight  0.11000E+01 volume  0.12818E-01 ppm1      6.750 ppm2      6.610
 ASSI { 2321}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 60   and name HZ  ))
      2.200     2.200     3.800 peak  2321 weight  0.11000E+01 volume  0.40073E-02 ppm1      6.836 ppm2      6.610
 ASSI { 2341}
   (  segid "    " and resid 76   and name HD% )
   (  segid "    " and resid 40   and name HE% )
      2.300     2.300     3.700 peak  2341 weight  0.11000E+01 volume  0.30515E-02 ppm1      7.312 ppm2      7.487
 ASSI { 2342}
   (  segid "    " and resid 76   and name HD% )
   (  segid "    " and resid 76   and name HE% )
      1.700     1.700     4.300 peak  2342 weight  0.11000E+01 volume  0.18175E-01 ppm1      6.969 ppm2      7.487
 ASSI { 2352}
   (  segid "    " and resid 74   and name HD% )
   (( segid "    " and resid 74   and name HB3 ))
      2.600     0.800     0.800 peak  2352 weight  0.11000E+01 volume  0.23777E-02 ppm1      2.514 ppm2      6.785
 ASSI { 2362}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak  2362 weight  0.11000E+01 volume  0.16046E-02 ppm1      2.119 ppm2      7.229
 ASSI { 2368}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 73   and name HB3 ))
      3.100     1.200     1.200 peak  2368 weight  0.11000E+01 volume  0.80448E-03 ppm1      1.839 ppm2      7.487
 ASSI { 2375}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak  2375 weight  0.10000E+01 volume  0.11600E-02 ppm1      1.647 ppm2      3.778
 OR { 2375}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2376}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
      3.200     1.300     1.300 peak  2376 weight  0.11000E+01 volume  0.93888E-03 ppm1      0.547 ppm2      3.778
 ASSI { 2378}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     3.000     3.000 peak  2378 weight  0.10000E+01 volume  0.11945E-02 ppm1      1.372 ppm2      3.778
 ASSI { 2396}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 49   and name HE% )
      3.000     1.100     1.100 peak  2396 weight  0.11000E+01 volume  0.14269E-02 ppm1      1.407 ppm2      4.276
 ASSI { 2398}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak  2398 weight  0.11000E+01 volume  0.18124E-02 ppm1      2.139 ppm2      4.483
 ASSI { 2399}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.000     1.000 peak  2399 weight  0.10000E+01 volume  0.17094E-02 ppm1      0.611 ppm2      3.890
 OR { 2399}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 2409}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 55   and name HE% )
      2.400     0.700     0.700 peak  2409 weight  0.11000E+01 volume  0.46298E-02 ppm1      2.068 ppm2      4.102
 ASSI { 2428}
   (  segid "    " and resid 70   and name HE% )
   (  segid "    " and resid 70   and name HD% )
      1.800     1.800     4.200 peak  2428 weight  0.11000E+01 volume  0.13628E-01 ppm1      7.229 ppm2      6.792
 ASSI { 2429}
   (( segid "    " and resid 77   and name HZ  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.800     1.000     1.000 peak  2429 weight  0.11000E+01 volume  0.12893E-02 ppm1      4.185 ppm2      7.429
 ASSI { 2443}
   (( segid "    " and resid 35   and name HD3 ))
   (  segid "    " and resid 34   and name HG1%)
      3.300     1.400     1.400 peak  2443 weight  0.10000E+01 volume  0.72975E-03 ppm1      3.439 ppm2      0.800
 ASSI { 2444}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak  2444 weight  0.11000E+01 volume  0.19839E-02 ppm1      3.127 ppm2      0.821
 ASSI { 2445}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 66   and name HG2%)
      3.200     1.300     1.300 peak  2445 weight  0.10000E+01 volume  0.93888E-03 ppm1      2.705 ppm2      0.821
 ASSI { 2446}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 66   and name HG2%)
      3.200     1.300     1.300 peak  2446 weight  0.10000E+01 volume  0.93198E-03 ppm1      1.764 ppm2      0.823
 ASSI { 2459}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     2.600     3.400 peak  2459 weight  0.11000E+01 volume  0.29504E-02 ppm1      4.133 ppm2      1.991
 ASSI { 2462}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.400     0.700     0.700 peak  2462 weight  0.11000E+01 volume  0.52634E-02 ppm1      2.066 ppm2      4.119
 ASSI { 2464}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  2464 weight  0.11000E+01 volume  0.20235E-02 ppm1      3.820 ppm2      2.018
 ASSI { 2472}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 26   and name HB3 ))
      2.800     1.000     1.000 peak  2472 weight  0.11000E+01 volume  0.19380E-02 ppm1      4.192 ppm2      0.934
 ASSI { 2473}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 46   and name HD1%)
      2.400     0.700     0.700 peak  2473 weight  0.10000E+01 volume  0.53764E-02 ppm1      3.872 ppm2      0.934
 ASSI { 2474}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak  2474 weight  0.11000E+01 volume  0.23406E-02 ppm1      1.818 ppm2      3.875
 ASSI { 2476}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.600     1.600     1.600 peak  2476 weight  0.11000E+01 volume  0.45952E-03 ppm1     -0.287 ppm2      3.971
 ASSI { 2483}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.700     0.900     0.900 peak  2483 weight  0.11000E+01 volume  0.24907E-02 ppm1      2.394 ppm2      4.439
 ASSI { 2484}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.200     1.200     1.200 peak  2484 weight  0.11000E+01 volume  0.95773E-03 ppm1      1.237 ppm2      4.439
 ASSI { 2485}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HD1%)
      2.400     0.700     0.700 peak  2485 weight  0.11000E+01 volume  0.53363E-02 ppm1      0.937 ppm2      4.439
 ASSI { 2487}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.900     1.000     1.000 peak  2487 weight  0.11000E+01 volume  0.16184E-02 ppm1      2.005 ppm2      3.959
 ASSI { 2489}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.400     3.400     2.600 peak  2489 weight  0.11000E+01 volume  0.62563E-03 ppm1      2.950 ppm2      3.756
 ASSI { 2495}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.000     1.100     1.100 peak  2495 weight  0.11000E+01 volume  0.14306E-02 ppm1      0.597 ppm2      3.451
 ASSI { 2498}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.400     0.700     0.700 peak  2498 weight  0.11000E+01 volume  0.56188E-02 ppm1      2.703 ppm2      4.385
 ASSI { 2499}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 61   and name HB% )
      2.600     2.600     3.400 peak  2499 weight  0.11000E+01 volume  0.30798E-02 ppm1      1.526 ppm2      4.186
 ASSI { 2502}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HE% )
      3.100     3.100     2.900 peak  2502 weight  0.11000E+01 volume  0.73541E-03 ppm1      6.969 ppm2      4.265
 ASSI { 2505}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak  2505 weight  0.11000E+01 volume  0.32939E-02 ppm1      4.364 ppm2      1.945
 ASSI { 2511}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 40   and name HE% )
      3.400     3.400     2.600 peak  2511 weight  0.11000E+01 volume  0.46021E-03 ppm1      7.312 ppm2      1.842
 ASSI { 2512}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 73   and name HB2 ))
      3.200     3.200     2.800 peak  2512 weight  0.10000E+01 volume  0.55938E-03 ppm1      7.220 ppm2      2.105
 ASSI { 2513}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      3.200     3.200     2.800 peak  2513 weight  0.11000E+01 volume  0.65816E-03 ppm1      7.312 ppm2      2.105
 ASSI { 2518}
   (( segid "    " and resid 73   and name HD3 ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.500     1.500 peak  2518 weight  0.11000E+01 volume  0.53583E-03 ppm1      4.358 ppm2      1.214
 ASSI { 2521}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak  2521 weight  0.11000E+01 volume  0.93762E-03 ppm1      4.358 ppm2      2.527
 ASSI { 2522}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 40   and name HD% )
      2.800     2.800     3.200 peak  2522 weight  0.11000E+01 volume  0.14231E-02 ppm1      7.219 ppm2      2.531
 ASSI { 2523}
   (( segid "    " and resid 73   and name HD3 ))
   (( segid "    " and resid 73   and name HA  ))
      3.700     1.700     1.700 peak  2523 weight  0.11000E+01 volume  0.39050E-03 ppm1      4.533 ppm2      1.214
 ASSI { 2524}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.500     1.500 peak  2524 weight  0.11000E+01 volume  0.51158E-03 ppm1      4.551 ppm2      2.527
 ASSI { 2525}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 73   and name HD2 ))
      3.500     3.500     2.500 peak  2525 weight  0.10000E+01 volume  0.56082E-03 ppm1      1.035 ppm2      2.527
 ASSI { 2531}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 49   and name HB3 ))
      2.100     2.100     3.900 peak  2531 weight  0.11000E+01 volume  0.11417E-01 ppm1      2.017 ppm2      1.407
 ASSI { 2533}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak  2533 weight  0.11000E+01 volume  0.19550E-02 ppm1      2.518 ppm2      1.407
 ASSI { 2535}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 46   and name HD1%)
      2.100     2.100     3.900 peak  2535 weight  0.11000E+01 volume  0.10526E-01 ppm1      0.930 ppm2      1.407
 ASSI { 2536}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 49   and name HE% )
      2.400     2.400     3.600 peak  2536 weight  0.10000E+01 volume  0.54248E-02 ppm1      0.753 ppm2      1.407
 ASSI { 2542}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.000     1.000 peak  2542 weight  0.11000E+01 volume  0.17176E-02 ppm1      3.075 ppm2      1.407
 ASSI { 2543}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 77   and name HB3 ))
      2.900     1.000     1.000 peak  2543 weight  0.11000E+01 volume  0.17296E-02 ppm1      3.123 ppm2      1.407
 ASSI { 2544}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  2544 weight  0.11000E+01 volume  0.25472E-02 ppm1      3.963 ppm2      1.407
 ASSI { 2552}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 76   and name HE% )
      2.400     0.700     0.700 peak  2552 weight  0.11000E+01 volume  0.34836E-02 ppm1      6.967 ppm2      4.551
 ASSI { 2553}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 76   and name HD% )
      2.200     0.600     0.600 peak  2553 weight  0.11000E+01 volume  0.52879E-02 ppm1      7.484 ppm2      4.551
 ASSI { 2556}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 76   and name HB2 ))
      3.300     3.300     2.700 peak  2556 weight  0.11000E+01 volume  0.50800E-03 ppm1      2.714 ppm2      6.969
 ASSI { 2558}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 73   and name HB3 ))
      3.100     3.100     2.900 peak  2558 weight  0.11000E+01 volume  0.80197E-03 ppm1      1.839 ppm2      6.969
 ASSI { 2563}
   (  segid "    " and resid 70   and name HE% )
   (( segid "    " and resid 70   and name HA  ))
      3.300     3.300     2.700 peak  2563 weight  0.11000E+01 volume  0.52225E-03 ppm1      4.358 ppm2      6.792
 ASSI { 2580}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 40   and name HZ  ))
      2.500     2.500     3.500 peak  2580 weight  0.10000E+01 volume  0.20724E-02 ppm1      7.488 ppm2      6.897
 ASSI { 2614}
   (  segid "    " and resid 60   and name HE% )
   (  segid "    " and resid 49   and name HE% )
      2.700     2.700     3.300 peak  2614 weight  0.11000E+01 volume  0.16712E-02 ppm1      1.407 ppm2      6.750
 ASSI { 2618}
   (( segid "    " and resid 77   and name HZ  ))
   (  segid "    " and resid 77   and name HD% )
      2.100     2.100     3.900 peak  2618 weight  0.11000E+01 volume  0.57319E-02 ppm1      7.519 ppm2      7.429
 ASSI { 2621}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.700     2.700     3.300 peak  2621 weight  0.11000E+01 volume  0.18438E-02 ppm1      7.211 ppm2      3.971
 ASSI { 2625}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 40   and name HD% )
      2.000     0.500     0.500 peak  2625 weight  0.11000E+01 volume  0.68705E-02 ppm1      7.211 ppm2      7.312
 ASSI { 2631}
   (( segid "    " and resid 40   and name HZ  ))
   (  segid "    " and resid 40   and name HD% )
      2.600     2.600     3.400 peak  2631 weight  0.11000E+01 volume  0.16303E-02 ppm1      7.211 ppm2      6.896
 ASSI { 2632}
   (( segid "    " and resid 40   and name HZ  ))
   (  segid "    " and resid 40   and name HE% )
      2.100     0.500     0.500 peak  2632 weight  0.11000E+01 volume  0.57558E-02 ppm1      7.312 ppm2      6.896
 ASSI { 2647}
   (( segid "    " and resid 60   and name HZ  ))
   (  segid "    " and resid 60   and name HE% )
      2.000     0.500     0.500 peak  2647 weight  0.11000E+01 volume  0.80010E-02 ppm1      6.750 ppm2      6.836
 ASSI { 2652}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 60   and name HZ  ))
      3.400     3.400     2.600 peak  2652 weight  0.10000E+01 volume  0.43088E-03 ppm1      2.027 ppm2      6.845
 ASSI { 2657}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 76   and name HE% )
      3.300     3.300     2.700 peak  2657 weight  0.11000E+01 volume  0.52659E-03 ppm1      6.969 ppm2      3.102
 ASSI { 2658}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 40   and name HE% )
      3.400     1.400     1.400 peak  2658 weight  0.11000E+01 volume  0.45807E-03 ppm1      7.312 ppm2      3.102
 ASSI { 2659}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      3.200     1.300     1.300 peak  2659 weight  0.11000E+01 volume  0.56364E-03 ppm1      7.312 ppm2      2.714
 ASSI { 2663}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HE% )
      3.000     3.000     3.000 peak  2663 weight  0.11000E+01 volume  0.95898E-03 ppm1      7.063 ppm2      4.276
 ASSI { 2693}
   (( segid "    " and resid 47   and name HG3 ))
   (  segid "    " and resid 19   and name HD% )
      2.700     0.900     0.900 peak  2693 weight  0.11000E+01 volume  0.16266E-02 ppm1      6.801 ppm2      0.761
 ASSI { 2694}
   (( segid "    " and resid 47   and name HG3 ))
   (  segid "    " and resid 19   and name HE% )
      2.700     0.900     0.900 peak  2694 weight  0.11000E+01 volume  0.17176E-02 ppm1      6.728 ppm2      0.760
 ASSI { 2705}
   (  segid "    " and resid 19   and name HE% )
   (  segid "    " and resid 19   and name HD% )
      1.500     1.500     4.500 peak  2705 weight  0.11000E+01 volume  0.42109E-01 ppm1      6.793 ppm2      6.728
 ASSI { 2706}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.200     1.200 peak  2706 weight  0.11000E+01 volume  0.82646E-03 ppm1      4.439 ppm2      6.728
 ASSI { 2710}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      2.700     2.700     3.300 peak  2710 weight  0.11000E+01 volume  0.18068E-02 ppm1      6.793 ppm2      4.138
 ASSI { 2711}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 46   and name HA  ))
      3.400     3.400     2.600 peak  2711 weight  0.11000E+01 volume  0.41323E-03 ppm1      3.981 ppm2      6.728
 ASSI { 2712}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak  2712 weight  0.11000E+01 volume  0.76178E-03 ppm1      3.756 ppm2      6.728
 ASSI { 2713}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 23   and name HD3 ))
      3.000     3.000     3.000 peak  2713 weight  0.11000E+01 volume  0.93888E-03 ppm1      3.016 ppm2      6.728
 ASSI { 2714}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 23   and name HD2 ))
      2.900     2.900     3.100 peak  2714 weight  0.11000E+01 volume  0.11600E-02 ppm1      2.921 ppm2      6.728
 ASSI { 2715}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak  2715 weight  0.11000E+01 volume  0.25592E-02 ppm1      2.394 ppm2      6.728
 ASSI { 2716}
   (  segid "    " and resid 19   and name HE% )
   (  segid "    " and resid 50   and name HB% )
      3.000     3.000     3.000 peak  2716 weight  0.11000E+01 volume  0.85347E-03 ppm1      1.482 ppm2      6.728
 ASSI { 2718}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 46   and name HB3 ))
      2.700     0.900     0.900 peak  2718 weight  0.11000E+01 volume  0.18552E-02 ppm1      1.249 ppm2      6.728
 ASSI { 2725}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak  2725 weight  0.11000E+01 volume  0.30553E-02 ppm1      3.122 ppm2      6.793
 ASSI { 2726}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HB3 ))
      2.400     2.400     3.600 peak  2726 weight  0.11000E+01 volume  0.31162E-02 ppm1      2.952 ppm2      6.793
 ASSI { 2734}
   (  segid "    " and resid 74   and name HD% )
   (( segid "    " and resid 74   and name HZ  ))
      2.000     2.000     4.000 peak  2734 weight  0.11000E+01 volume  0.79821E-02 ppm1      7.063 ppm2      6.785
 ASSI { 2735}
   (  segid "    " and resid 74   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      3.100     3.100     2.900 peak  2735 weight  0.11000E+01 volume  0.81516E-03 ppm1      3.106 ppm2      6.785
 ASSI { 2736}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 74   and name HD% )
      2.700     0.900     0.900 peak  2736 weight  0.10000E+01 volume  0.15926E-02 ppm1      2.023 ppm2      6.785
 ASSI { 2737}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 74   and name HD% )
      2.600     0.900     0.900 peak  2737 weight  0.10000E+01 volume  0.20492E-02 ppm1      1.399 ppm2      6.785
 ASSI { 2745}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      2.900     2.900     3.100 peak  2745 weight  0.11000E+01 volume  0.10689E-02 ppm1      6.793 ppm2      4.439
 ASSI { 2747}
   (( segid "    " and resid 74   and name HZ  ))
   (  segid "    " and resid 49   and name HE% )
      3.200     1.300     1.300 peak  2747 weight  0.11000E+01 volume  0.63178E-03 ppm1      1.407 ppm2      7.063
 ASSI { 2750}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 74   and name HE% )
      2.300     0.700     0.700 peak  2750 weight  0.11000E+01 volume  0.46467E-02 ppm1      7.063 ppm2      1.407
 ASSI { 2753}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 40   and name HD% )
      3.000     3.000     3.000 peak  2753 weight  0.11000E+01 volume  0.96589E-03 ppm1      7.219 ppm2      1.416
 ASSI { 2754}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 70   and name HE% )
      2.600     2.600     3.400 peak  2754 weight  0.11000E+01 volume  0.22207E-02 ppm1      6.807 ppm2      3.144
 ASSI { 2755}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 70   and name HE% )
      3.000     3.000     3.000 peak  2755 weight  0.11000E+01 volume  0.91627E-03 ppm1      6.807 ppm2      2.695
 ASSI { 2760}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 73   and name HD3 ))
      3.200     3.200     2.800 peak  2760 weight  0.11000E+01 volume  0.56508E-03 ppm1      1.214 ppm2      7.229
 ASSI { 2761}
   (( segid "    " and resid 75   and name HE3 ))
   (  segid "    " and resid 76   and name HD% )
      3.000     3.000     3.000 peak  2761 weight  0.11000E+01 volume  0.87796E-03 ppm1      7.487 ppm2      2.625
 ASSI { 2768}
   (( segid "    " and resid 77   and name HZ  ))
   (  segid "    " and resid 40   and name HD% )
      2.500     0.800     0.800 peak  2768 weight  0.11000E+01 volume  0.19179E-02 ppm1      7.211 ppm2      7.429
 ASSI { 2770}
   (( segid "    " and resid 77   and name HB3 ))
   (  segid "    " and resid 77   and name HD% )
      2.400     2.400     3.600 peak  2770 weight  0.11000E+01 volume  0.31162E-02 ppm1      7.519 ppm2      3.118
 ASSI { 2772}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
      2.500     0.800     0.800 peak  2772 weight  0.11000E+01 volume  0.40928E-02 ppm1      3.110 ppm2      4.207
 ASSI { 2773}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD% )
      2.400     0.700     0.700 peak  2773 weight  0.11000E+01 volume  0.31727E-02 ppm1      7.519 ppm2      4.207
 ASSI { 2780}
   (  segid "    " and resid 77   and name HD% )
   (  segid "    " and resid 22   and name HD2%)
      2.600     0.900     0.900 peak  2780 weight  0.11000E+01 volume  0.20492E-02 ppm1      0.941 ppm2      7.519
 ASSI { 2784}
   (  segid "    " and resid 77   and name HE% )
   (  segid "    " and resid 22   and name HD2%)
      2.800     1.000     1.000 peak  2784 weight  0.11000E+01 volume  0.13357E-02 ppm1      0.935 ppm2      7.488
 ASSI { 2785}
   (  segid "    " and resid 77   and name HE% )
   (  segid "    " and resid 25   and name HD1%)
      2.800     1.000     1.000 peak  2785 weight  0.11000E+01 volume  0.12592E-02 ppm1      0.761 ppm2      7.488
 ASSI { 2786}
   (  segid "    " and resid 77   and name HE% )
   (  segid "    " and resid 46   and name HD2%)
      3.000     1.100     1.100 peak  2786 weight  0.11000E+01 volume  0.96777E-03 ppm1      0.634 ppm2      7.488
 ASSI { 2787}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 76   and name HD% )
      2.800     1.000     1.000 peak  2787 weight  0.11000E+01 volume  0.12347E-02 ppm1      7.484 ppm2      2.105
 ASSI { 2794}
   (  segid "    " and resid 77   and name HE% )
   (( segid "    " and resid 26   and name HA  ))
      3.300     1.400     1.400 peak  2794 weight  0.11000E+01 volume  0.50517E-03 ppm1      3.971 ppm2      7.488
 ASSI { 2797}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 19   and name HD% )
      2.400     0.700     0.700 peak  2797 weight  0.11000E+01 volume  0.34227E-02 ppm1      6.793 ppm2      1.482
 ASSI { 2799}
   (  segid "    " and resid 63   and name HD1%)
   (  segid "    " and resid 74   and name HE% )
      2.500     2.500     3.500 peak  2799 weight  0.11000E+01 volume  0.25472E-02 ppm1      7.070 ppm2      0.544
 ASSI { 2800}
   (( segid "    " and resid 74   and name HZ  ))
   (  segid "    " and resid 60   and name HD% )
      3.000     1.100     1.100 peak  2800 weight  0.11000E+01 volume  0.64874E-03 ppm1      6.607 ppm2      7.063
 ASSI { 2803}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 60   and name HD% )
      2.700     2.700     3.300 peak  2803 weight  0.11000E+01 volume  0.17296E-02 ppm1      6.609 ppm2      1.407
 ASSI { 2804}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 77   and name HD% )
      2.300     2.300     3.700 peak  2804 weight  0.11000E+01 volume  0.40702E-02 ppm1      7.519 ppm2      1.407
 ASSI { 2805}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 77   and name HE% )
      2.300     2.300     3.700 peak  2805 weight  0.11000E+01 volume  0.40413E-02 ppm1      7.502 ppm2      1.407
 ASSI { 2810}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 60   and name HZ  ))
      2.800     2.800     3.200 peak  2810 weight  0.11000E+01 volume  0.12773E-02 ppm1      6.831 ppm2      0.930
 ASSI { 2811}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
      3.300     3.300     2.700 peak  2811 weight  0.11000E+01 volume  0.79632E-03 ppm1      2.524 ppm2      0.630
 ASSI { 2813}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HG13))
      2.900     1.000     1.000 peak  2813 weight  0.11000E+01 volume  0.17333E-02 ppm1      1.184 ppm2      1.802
 ASSI { 2814}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HG12))
      2.700     0.900     0.900 peak  2814 weight  0.11000E+01 volume  0.26804E-02 ppm1      1.329 ppm2      1.802
 ASSI { 2816}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 42   and name HD3 ))
      3.200     1.200     1.200 peak  2816 weight  0.11000E+01 volume  0.97908E-03 ppm1      2.542 ppm2      1.802
 ASSI { 2817}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 42   and name HD2 ))
      3.000     1.100     1.100 peak  2817 weight  0.11000E+01 volume  0.13100E-02 ppm1      2.652 ppm2      1.802
 ASSI { 2819}
   (( segid "    " and resid 42   and name HD2 ))
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak  2819 weight  0.11000E+01 volume  0.11517E-02 ppm1      0.620 ppm2      2.647
 ASSI { 2821}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  2821 weight  0.11000E+01 volume  0.93198E-03 ppm1      4.430 ppm2      0.630
 ASSI { 2823}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      2.600     0.800     0.800 peak  2823 weight  0.10000E+01 volume  0.30917E-02 ppm1      4.004 ppm2      0.597
 ASSI { 2824}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 54   and name HD3 ))
      2.600     2.600     3.400 peak  2824 weight  0.11000E+01 volume  0.28656E-02 ppm1      3.384 ppm2      0.597
 ASSI { 2827}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB  ))
      2.500     0.800     0.800 peak  2827 weight  0.11000E+01 volume  0.44067E-02 ppm1      1.547 ppm2      0.618
 ASSI { 2829}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 51   and name HB% )
      2.400     0.700     0.700 peak  2829 weight  0.10000E+01 volume  0.53199E-02 ppm1      0.618 ppm2      1.433
 ASSI { 2830}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  2830 weight  0.11000E+01 volume  0.23576E-02 ppm1      4.207 ppm2      3.083
 ASSI { 2835}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD% )
      2.400     0.700     0.700 peak  2835 weight  0.11000E+01 volume  0.31162E-02 ppm1      7.519 ppm2      3.083
 ASSI { 2837}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 81   and name HG2%)
      2.500     0.800     0.800 peak  2837 weight  0.10000E+01 volume  0.41386E-02 ppm1      1.105 ppm2      0.657
 ASSI { 2842}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 77   and name HE% )
      2.100     2.100     3.900 peak  2842 weight  0.11000E+01 volume  0.70526E-02 ppm1      7.488 ppm2      2.018
 ASSI { 2843}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 40   and name HD% )
      2.300     2.300     3.700 peak  2843 weight  0.11000E+01 volume  0.44639E-02 ppm1      7.210 ppm2      2.020
 ASSI { 2844}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 74   and name HE% )
      2.500     0.800     0.800 peak  2844 weight  0.11000E+01 volume  0.28864E-02 ppm1      7.064 ppm2      2.017
 ASSI { 2846}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 61   and name HA  ))
      1.900     0.400     0.400 peak  2846 weight  0.11000E+01 volume  0.21666E-01 ppm1      4.212 ppm2      1.517
 ASSI { 2848}
   (  segid "    " and resid 15   and name HD1%)
   (  segid "    " and resid 51   and name HB% )
      2.100     0.600     0.600 peak  2848 weight  0.10000E+01 volume  0.10821E-01 ppm1      0.824 ppm2      1.433
 OR { 2848}
   (  segid "    " and resid 15   and name HD2%)
   (  segid "    " and resid 51   and name HB% )
 ASSI { 2851}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 66   and name HG2%)
      3.300     1.300     1.300 peak  2851 weight  0.11000E+01 volume  0.78502E-03 ppm1      0.823 ppm2      3.233
 ASSI { 2856}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 37   and name HG1%)
      3.500     1.600     1.600 peak  2856 weight  0.11000E+01 volume  0.50090E-03 ppm1      0.977 ppm2      2.763
 ASSI { 2858}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 37   and name HG1%)
      3.500     1.600     1.600 peak  2858 weight  0.11000E+01 volume  0.49161E-03 ppm1      0.977 ppm2      2.703
 ASSI { 2861}
   (  segid "    " and resid 66   and name HG1%)
   (  segid "    " and resid 60   and name HD% )
      3.400     1.400     1.400 peak  2861 weight  0.11000E+01 volume  0.44168E-03 ppm1      6.608 ppm2      0.930
 ASSI { 2862}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 76   and name HE% )
      2.800     2.800     3.200 peak  2862 weight  0.11000E+01 volume  0.12893E-02 ppm1      6.969 ppm2      0.343
 ASSI { 2863}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 76   and name HD% )
      2.500     2.500     3.500 peak  2863 weight  0.11000E+01 volume  0.28701E-02 ppm1      7.488 ppm2      0.343
 ASSI { 2864}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak  2864 weight  0.11000E+01 volume  0.98159E-03 ppm1      4.265 ppm2      0.343
 ASSI { 2865}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 29   and name HD2%)
      3.100     1.200     1.200 peak  2865 weight  0.11000E+01 volume  0.10274E-02 ppm1      0.343 ppm2      3.102
 ASSI { 2879}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 77   and name HD% )
      2.900     2.900     3.100 peak  2879 weight  0.11000E+01 volume  0.11832E-02 ppm1      7.519 ppm2      0.764
 ASSI { 2883}
   (  segid "    " and resid 46   and name HD2%)
   (  segid "    " and resid 19   and name HE% )
      2.900     2.900     3.100 peak  2883 weight  0.11000E+01 volume  0.11116E-02 ppm1      6.738 ppm2      0.631
 ASSI { 2886}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 41   and name HG2 ))
      2.400     0.700     0.700 peak  2886 weight  0.11000E+01 volume  0.44639E-02 ppm1      2.407 ppm2      0.631
 ASSI { 2888}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 41   and name HB2 ))
      2.400     0.700     0.700 peak  2888 weight  0.11000E+01 volume  0.47666E-02 ppm1      1.889 ppm2      0.631
 ASSI { 2889}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 41   and name HB3 ))
      2.400     0.700     0.700 peak  2889 weight  0.11000E+01 volume  0.46178E-02 ppm1      1.857 ppm2      0.631
 ASSI { 2892}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 77   and name HZ  ))
      2.500     0.800     0.800 peak  2892 weight  0.11000E+01 volume  0.25391E-02 ppm1      7.419 ppm2      0.631
 ASSI { 2893}
   (( segid "    " and resid 21   and name HD3 ))
   (  segid "    " and resid 84   and name HD2%)
      3.100     1.200     1.200 peak  2893 weight  0.11000E+01 volume  0.11405E-02 ppm1      0.938 ppm2      3.147
 ASSI { 2894}
   (( segid "    " and resid 21   and name HD2 ))
   (  segid "    " and resid 84   and name HD2%)
      3.300     1.300     1.300 peak  2894 weight  0.11000E+01 volume  0.76116E-03 ppm1      0.938 ppm2      3.276
 ASSI { 2895}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
      3.200     3.200     2.800 peak  2895 weight  0.10000E+01 volume  0.88738E-03 ppm1      0.603 ppm2      1.402
 OR { 2895}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 2897}
   (  segid "    " and resid 63   and name HD2%)
   (  segid "    " and resid 74   and name HE% )
      2.900     2.900     3.100 peak  2897 weight  0.11000E+01 volume  0.10029E-02 ppm1      7.066 ppm2      0.544
 ASSI { 2899}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 63   and name HD2%)
      3.000     1.100     1.100 peak  2899 weight  0.11000E+01 volume  0.13785E-02 ppm1      0.548 ppm2      2.005
 ASSI { 2904}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 77   and name HZ  ))
      3.200     1.300     1.300 peak  2904 weight  0.11000E+01 volume  0.65188E-03 ppm1      7.420 ppm2      0.934
 ASSI { 2910}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 74   and name HZ  ))
      2.900     2.900     3.100 peak  2910 weight  0.11000E+01 volume  0.11505E-02 ppm1      7.067 ppm2      1.845
 ASSI { 2911}
   (( segid "    " and resid 54   and name HG3 ))
   (  segid "    " and resid 60   and name HD% )
      3.200     1.300     1.300 peak  2911 weight  0.11000E+01 volume  0.62763E-03 ppm1      6.609 ppm2      1.845
 ASSI { 2912}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 40   and name HE% )
      3.200     3.200     2.800 peak  2912 weight  0.11000E+01 volume  0.61219E-03 ppm1      7.312 ppm2      1.415
 ASSI { 2913}
   (( segid "    " and resid 54   and name HG3 ))
   (  segid "    " and resid 60   and name HE% )
      3.200     1.300     1.300 peak  2913 weight  0.11000E+01 volume  0.58505E-03 ppm1      6.756 ppm2      1.845
 ASSI { 2914}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 60   and name HE% )
      3.200     1.300     1.300 peak  2914 weight  0.11000E+01 volume  0.62004E-03 ppm1      6.744 ppm2      1.266
 ASSI { 2916}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak  2916 weight  0.11000E+01 volume  0.65501E-03 ppm1      5.019 ppm2      1.970
 ASSI { 2917}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     3.200     2.800 peak  2917 weight  0.11000E+01 volume  0.86164E-03 ppm1      5.021 ppm2      2.062
 ASSI { 2919}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 82   and name HB% )
      3.100     1.200     1.200 peak  2919 weight  0.11000E+01 volume  0.10713E-02 ppm1      1.484 ppm2      4.364
 ASSI { 2921}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 69   and name HD2 ))
      3.300     3.300     2.700 peak  2921 weight  0.10000E+01 volume  0.49657E-03 ppm1      7.211 ppm2      1.241
 ASSI { 2923}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 48   and name HD2 ))
      3.200     3.200     2.800 peak  2923 weight  0.10000E+01 volume  0.61005E-03 ppm1      6.838 ppm2      1.626
 ASSI { 2924}
   (( segid "    " and resid 74   and name HZ  ))
   (( segid "    " and resid 48   and name HD2 ))
      2.900     2.900     3.100 peak  2924 weight  0.10000E+01 volume  0.10262E-02 ppm1      7.062 ppm2      1.627
 OR { 2924}
   (  segid "    " and resid 74   and name HE% )
   (( segid "    " and resid 48   and name HD2 ))
 ASSI { 2928}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 46   and name HD1%)
      3.300     1.400     1.400 peak  2928 weight  0.11000E+01 volume  0.71719E-03 ppm1      0.923 ppm2      2.093
 ASSI { 2929}
   (( segid "    " and resid 41   and name HG2 ))
   (  segid "    " and resid 46   and name HD1%)
      3.300     1.400     1.400 peak  2929 weight  0.11000E+01 volume  0.69835E-03 ppm1      0.923 ppm2      2.406
 ASSI { 2930}
   (( segid "    " and resid 35   and name HD3 ))
   (( segid "    " and resid 35   and name HB3 ))
      3.200     1.300     1.300 peak  2930 weight  0.10000E+01 volume  0.88173E-03 ppm1      3.449 ppm2      2.406
 ASSI { 2934}
   (( segid "    " and resid 49   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.900     1.100     1.100 peak  2934 weight  0.11000E+01 volume  0.16027E-02 ppm1      0.756 ppm2      2.278
 ASSI { 2935}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 49   and name HG3 ))
      2.200     0.600     0.600 peak  2935 weight  0.11000E+01 volume  0.88927E-02 ppm1      1.889 ppm2      0.759
 ASSI { 2936}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 66   and name HB  ))
      3.200     1.200     1.200 peak  2936 weight  0.10000E+01 volume  0.97342E-03 ppm1      2.699 ppm2      2.108
 ASSI { 2937}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.300     1.400     1.400 peak  2937 weight  0.10000E+01 volume  0.71029E-03 ppm1      1.238 ppm2      2.367
 ASSI { 2938}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 25   and name HD2%)
      3.000     1.100     1.100 peak  2938 weight  0.11000E+01 volume  0.12636E-02 ppm1      0.770 ppm2      2.664
 ASSI { 2939}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
      3.000     1.100     1.100 peak  2939 weight  0.11000E+01 volume  0.12673E-02 ppm1      0.770 ppm2      2.843
 ASSI { 2942}
   (( segid "    " and resid 47   and name HE2 ))
   (  segid "    " and resid 19   and name HE% )
      2.700     2.700     3.300 peak  2942 weight  0.11000E+01 volume  0.18953E-02 ppm1      6.725 ppm2      2.367
 ASSI { 2943}
   (( segid "    " and resid 47   and name HE2 ))
   (  segid "    " and resid 19   and name HD% )
      2.900     2.900     3.100 peak  2943 weight  0.11000E+01 volume  0.10105E-02 ppm1      6.801 ppm2      2.367
 ASSI { 2944}
   (( segid "    " and resid 47   and name HE3 ))
   (  segid "    " and resid 19   and name HE% )
      2.800     2.800     3.200 peak  2944 weight  0.11000E+01 volume  0.12535E-02 ppm1      6.727 ppm2      2.479
 ASSI { 2945}
   (( segid "    " and resid 47   and name HE3 ))
   (  segid "    " and resid 19   and name HD% )
      2.500     2.500     3.500 peak  2945 weight  0.11000E+01 volume  0.27445E-02 ppm1      6.801 ppm2      2.479
 ASSI { 2946}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
      3.600     1.700     1.700 peak  2946 weight  0.11000E+01 volume  0.40513E-03 ppm1      3.451 ppm2      1.372
 ASSI { 2947}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.400     0.700     0.700 peak  2947 weight  0.11000E+01 volume  0.56025E-02 ppm1      1.461 ppm2      3.233
 ASSI { 2948}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 60   and name HD% )
      3.200     3.200     2.800 peak  2948 weight  0.11000E+01 volume  0.64497E-03 ppm1      6.609 ppm2      3.233
 ASSI { 2949}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 60   and name HE% )
      3.000     3.000     3.000 peak  2949 weight  0.11000E+01 volume  0.87169E-03 ppm1      6.735 ppm2      3.233
 ASSI { 2950}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 74   and name HD% )
      2.800     2.800     3.200 peak  2950 weight  0.11000E+01 volume  0.14067E-02 ppm1      6.793 ppm2      3.233
 ASSI { 2951}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 74   and name HE% )
      3.100     3.100     2.900 peak  2951 weight  0.11000E+01 volume  0.74482E-03 ppm1      7.067 ppm2      3.233
 ASSI { 2952}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 73   and name HD2 ))
      3.200     1.300     1.300 peak  2952 weight  0.10000E+01 volume  0.91313E-03 ppm1      2.022 ppm2      2.527
 ASSI { 2953}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 73   and name HD3 ))
      3.200     1.300     1.300 peak  2953 weight  0.10000E+01 volume  0.93323E-03 ppm1      2.022 ppm2      1.214
 ASSI { 2962}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
      3.000     1.100     1.100 peak  2962 weight  0.11000E+01 volume  0.14507E-02 ppm1      1.414 ppm2      4.551
 ASSI { 2964}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      3.100     1.200     1.200 peak  2964 weight  0.11000E+01 volume  0.11531E-02 ppm1      0.111 ppm2      3.410
 ASSI { 2968}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.900     2.900     3.100 peak  2968 weight  0.11000E+01 volume  0.11173E-02 ppm1      7.339 ppm2      4.144
 ASSI { 2969}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 77   and name HD% )
      2.600     2.600     3.400 peak  2969 weight  0.11000E+01 volume  0.23632E-02 ppm1      7.519 ppm2      4.144
 ASSI { 2975}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.400     3.400     2.600 peak  2975 weight  0.11000E+01 volume  0.40513E-03 ppm1      7.312 ppm2      4.551
 ASSI { 2976}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 70   and name HD% )
      3.400     3.400     2.600 peak  2976 weight  0.11000E+01 volume  0.44451E-03 ppm1      7.229 ppm2      0.893
 ASSI { 2978}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak  2978 weight  0.11000E+01 volume  0.19864E-02 ppm1      4.395 ppm2      4.667
 ASSI { 2981}
   (  segid "    " and resid 70   and name HD% )
   (( segid "    " and resid 67   and name HG2 ))
      3.200     1.300     1.300 peak  2981 weight  0.11000E+01 volume  0.59152E-03 ppm1      2.370 ppm2      7.229
 ASSI { 2982}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 85   and name HB2 ))
      2.600     0.800     0.800 peak  2982 weight  0.10000E+01 volume  0.30760E-02 ppm1      0.728 ppm2      3.974
 ASSI { 2983}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 85   and name HB2 ))
      2.800     2.800     3.200 peak  2983 weight  0.10000E+01 volume  0.18212E-02 ppm1      0.655 ppm2      3.971
 ASSI { 2985}
   (  segid "    " and resid 55   and name HE% )
   (( segid "    " and resid 85   and name HB2 ))
      2.800     2.800     3.200 peak  2985 weight  0.10000E+01 volume  0.20379E-02 ppm1      2.079 ppm2      3.972
 ASSI { 2987}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 85   and name HB2 ))
      3.200     1.300     1.300 peak  2987 weight  0.10000E+01 volume  0.82646E-03 ppm1      0.858 ppm2      3.973
 ASSI { 2988}
   (  segid "    " and resid 82   and name HB% )
   (( segid "    " and resid 85   and name HB2 ))
      3.100     3.100     2.900 peak  2988 weight  0.10000E+01 volume  0.10048E-02 ppm1      1.488 ppm2      3.973
 ASSI { 2989}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 85   and name HB2 ))
      3.000     1.100     1.100 peak  2989 weight  0.10000E+01 volume  0.12610E-02 ppm1      1.104 ppm2      3.973
 ASSI { 2999}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.600     0.600 peak  2999 weight  0.11000E+01 volume  0.10689E-01 ppm1      3.995 ppm2      1.482
 ASSI { 3009}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HA2 ))
      3.500     1.500     1.500 peak  3009 weight  0.10000E+01 volume  0.51729E-03 ppm1      4.396 ppm2      3.629
 ASSI { 3014}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.100     3.100     2.900 peak  3014 weight  0.11000E+01 volume  0.70024E-03 ppm1      7.312 ppm2      4.144
 ASSI { 3016}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 40   and name HE% )
      3.300     3.300     2.700 peak  3016 weight  0.11000E+01 volume  0.52942E-03 ppm1      7.312 ppm2      3.668
 ASSI { 3017}
   (( segid "    " and resid 30   and name HA1 ))
   (  segid "    " and resid 40   and name HE% )
      3.400     3.400     2.600 peak  3017 weight  0.11000E+01 volume  0.42178E-03 ppm1      7.312 ppm2      4.145
 ASSI { 3018}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 40   and name HD% )
      3.400     3.400     2.600 peak  3018 weight  0.11000E+01 volume  0.42027E-03 ppm1      7.211 ppm2     -0.287
 ASSI { 3019}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 40   and name HE% )
      3.400     1.500     1.500 peak  3019 weight  0.11000E+01 volume  0.41926E-03 ppm1      7.312 ppm2     -0.287
 ASSI { 3020}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      3.500     1.500     1.500 peak  3020 weight  0.11000E+01 volume  0.35571E-03 ppm1      7.211 ppm2      0.805
 ASSI { 3021}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      3.500     1.500     1.500 peak  3021 weight  0.11000E+01 volume  0.34610E-03 ppm1      7.312 ppm2      0.805
 ASSI { 3022}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HE% )
      3.400     1.400     1.400 peak  3022 weight  0.11000E+01 volume  0.42435E-03 ppm1      7.312 ppm2      2.801
 ASSI { 3023}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      3.400     3.400     2.600 peak  3023 weight  0.11000E+01 volume  0.43697E-03 ppm1      7.312 ppm2      3.337
 ASSI { 3026}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 52   and name HB  ))
      3.200     1.300     1.300 peak  3026 weight  0.11000E+01 volume  0.91063E-03 ppm1      1.549 ppm2      3.384
 ASSI { 3028}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 70   and name HB3 ))
      3.200     3.200     2.800 peak  3028 weight  0.10000E+01 volume  0.86038E-03 ppm1      2.020 ppm2      3.144
 ASSI { 3029}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 70   and name HB3 ))
      3.400     1.400     1.400 peak  3029 weight  0.10000E+01 volume  0.63869E-03 ppm1      0.617 ppm2      3.144
 ASSI { 3030}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 70   and name HB2 ))
      3.800     1.800     1.800 peak  3030 weight  0.10000E+01 volume  0.34359E-03 ppm1      0.622 ppm2      2.695
 ASSI { 3031}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 70   and name HB3 ))
      3.500     1.500     1.500 peak  3031 weight  0.10000E+01 volume  0.55441E-03 ppm1      0.821 ppm2      3.145
 ASSI { 3032}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HB  ))
      2.400     0.700     0.700 peak  3032 weight  0.11000E+01 volume  0.50216E-02 ppm1      1.856 ppm2      3.762
 ASSI { 3045}
   (( segid "    " and resid 49   and name HG3 ))
   (  segid "    " and resid 63   and name HD1%)
      3.300     3.300     2.700 peak  3045 weight  0.11000E+01 volume  0.78188E-03 ppm1      0.548 ppm2      1.889
 ASSI { 3046}
   (  segid "    " and resid 46   and name HD2%)
   (( segid "    " and resid 49   and name HG2 ))
      3.600     1.600     1.600 peak  3046 weight  0.10000E+01 volume  0.42027E-03 ppm1      0.632 ppm2      2.278
 ASSI { 3049}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 48   and name HB3 ))
      2.900     1.100     1.100 peak  3049 weight  0.10000E+01 volume  0.15863E-02 ppm1      0.615 ppm2      1.775
 ASSI { 3050}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 48   and name HB3 ))
      2.600     0.800     0.800 peak  3050 weight  0.10000E+01 volume  0.33743E-02 ppm1      0.543 ppm2      1.775
 ASSI { 3052}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 48   and name HB2 ))
      2.900     1.000     1.000 peak  3052 weight  0.10000E+01 volume  0.16303E-02 ppm1      0.615 ppm2      1.842
 ASSI { 3054}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 45   and name HG2%)
      2.900     1.000     1.000 peak  3054 weight  0.11000E+01 volume  0.16931E-02 ppm1      0.909 ppm2      2.518
 ASSI { 3056}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 35   and name HB3 ))
      3.300     3.300     2.700 peak  3056 weight  0.10000E+01 volume  0.68076E-03 ppm1      0.788 ppm2      2.406
 OR { 3056}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 35   and name HB3 ))
 ASSI { 3058}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 41   and name HG2 ))
      3.500     3.500     2.500 peak  3058 weight  0.10000E+01 volume  0.37185E-03 ppm1      7.325 ppm2      2.406
 ASSI { 3059}
   (( segid "    " and resid 77   and name HZ  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.100     1.200     1.200 peak  3059 weight  0.10000E+01 volume  0.72159E-03 ppm1      7.423 ppm2      2.406
 ASSI { 3062}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 60   and name HD% )
      3.200     1.200     1.200 peak  3062 weight  0.11000E+01 volume  0.67072E-03 ppm1      6.608 ppm2      1.064
 ASSI { 3063}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 60   and name HD% )
      3.400     1.500     1.500 peak  3063 weight  0.11000E+01 volume  0.40871E-03 ppm1      6.606 ppm2      1.280
 ASSI { 3064}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 60   and name HE% )
      3.600     1.600     1.600 peak  3064 weight  0.11000E+01 volume  0.32444E-03 ppm1      6.754 ppm2      1.280
 ASSI { 3065}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 60   and name HE% )
      3.700     1.700     1.700 peak  3065 weight  0.11000E+01 volume  0.26578E-03 ppm1      6.756 ppm2      1.064
 ASSI { 3069}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HG3 ))
      3.400     1.500     1.500 peak  3069 weight  0.11000E+01 volume  0.60076E-03 ppm1      0.461 ppm2      2.106
 ASSI { 3070}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
      3.700     1.700     1.700 peak  3070 weight  0.11000E+01 volume  0.40112E-03 ppm1      0.461 ppm2      1.975
 ASSI { 3072}
   (( segid "    " and resid 75   and name HD3 ))
   (  segid "    " and resid 76   and name HE% )
      3.300     3.300     2.700 peak  3072 weight  0.11000E+01 volume  0.53086E-03 ppm1      6.966 ppm2      1.359
 ASSI { 3073}
   (( segid "    " and resid 75   and name HD3 ))
   (  segid "    " and resid 76   and name HD% )
      3.500     3.500     2.500 peak  3073 weight  0.11000E+01 volume  0.38748E-03 ppm1      7.480 ppm2      1.359
 ASSI { 3074}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     3.100     2.900 peak  3074 weight  0.11000E+01 volume  0.10487E-02 ppm1      3.752 ppm2      1.359
 ASSI { 3075}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 75   and name HE3 ))
      2.500     0.800     0.800 peak  3075 weight  0.11000E+01 volume  0.43214E-02 ppm1      2.630 ppm2      1.359
 ASSI { 3077}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.300     1.300 peak  3077 weight  0.11000E+01 volume  0.78628E-03 ppm1      3.778 ppm2      3.451
 ASSI { 3089}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
      2.600     0.900     0.900 peak  3089 weight  0.10000E+01 volume  0.28864E-02 ppm1      0.758 ppm2      1.890
 ASSI { 3095}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 77   and name HD% )
      3.300     3.300     2.700 peak  3095 weight  0.11000E+01 volume  0.47163E-03 ppm1      7.520 ppm2      1.385
 ASSI { 3096}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 77   and name HE% )
      3.400     1.500     1.500 peak  3096 weight  0.11000E+01 volume  0.41625E-03 ppm1      7.475 ppm2      1.385
 ASSI { 3097}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 77   and name HD% )
      3.000     3.000     3.000 peak  3097 weight  0.11000E+01 volume  0.85347E-03 ppm1      7.522 ppm2      2.011
 ASSI { 3098}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 77   and name HE% )
      3.300     3.300     2.700 peak  3098 weight  0.11000E+01 volume  0.54656E-03 ppm1      7.474 ppm2      2.011
 ASSI { 3102}
   (  segid "    " and resid 77   and name HE% )
   (( segid "    " and resid 25   and name HG  ))
      3.400     1.400     1.400 peak  3102 weight  0.10000E+01 volume  0.43239E-03 ppm1      7.501 ppm2      1.094
 OR { 3102}
   (  segid "    " and resid 77   and name HD% )
   (( segid "    " and resid 25   and name HG  ))
 ASSI { 3103}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 40   and name HE% )
      3.700     3.700     2.300 peak  3103 weight  0.11000E+01 volume  0.26828E-03 ppm1      7.312 ppm2      1.094
 ASSI { 3115}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.000     3.000     3.000 peak  3115 weight  0.11000E+01 volume  0.86352E-03 ppm1      7.226 ppm2      4.403
 ASSI { 3116}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 37   and name HG2%)
      3.300     1.400     1.400 peak  3116 weight  0.10000E+01 volume  0.72725E-03 ppm1      3.326 ppm2      1.018
 ASSI { 3118}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 37   and name HG2%)
      3.200     3.200     2.800 peak  3118 weight  0.11000E+01 volume  0.83526E-03 ppm1      1.008 ppm2      2.801
 ASSI { 3122}
   (( segid "    " and resid 73   and name HD3 ))
   (  segid "    " and resid 40   and name HE% )
      3.200     3.200     2.800 peak  3122 weight  0.11000E+01 volume  0.56227E-03 ppm1      7.320 ppm2      1.218
 ASSI { 3123}
   (( segid "    " and resid 73   and name HD3 ))
   (  segid "    " and resid 40   and name HD% )
      3.000     3.000     3.000 peak  3123 weight  0.11000E+01 volume  0.99478E-03 ppm1      7.218 ppm2      1.218
 ASSI { 3125}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG  ))
      3.300     1.300     1.300 peak  3125 weight  0.11000E+01 volume  0.76116E-03 ppm1      1.505 ppm2      4.439
 ASSI { 3133}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 40   and name HD% )
      3.400     1.400     1.400 peak  3133 weight  0.11000E+01 volume  0.42887E-03 ppm1      7.212 ppm2      4.185
 ASSI { 3134}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 19   and name HE% )
      3.300     1.300     1.300 peak  3134 weight  0.11000E+01 volume  0.52370E-03 ppm1      6.729 ppm2      1.672
 ASSI { 3135}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 19   and name HD% )
      3.400     1.400     1.400 peak  3135 weight  0.11000E+01 volume  0.44808E-03 ppm1      6.799 ppm2      1.672
 ASSI { 3138}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak  3138 weight  0.11000E+01 volume  0.43037E-03 ppm1      3.443 ppm2      1.409
 ASSI { 3139}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.400     1.400 peak  3139 weight  0.10000E+01 volume  0.66507E-03 ppm1      0.342 ppm2      3.753
 ASSI { 3141}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak  3141 weight  0.10000E+01 volume  0.86854E-03 ppm1      2.787 ppm2      3.757
 ASSI { 3142}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.400     1.400 peak  3142 weight  0.10000E+01 volume  0.65690E-03 ppm1      3.022 ppm2      3.747
 ASSI { 3144}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 40   and name HE% )
      2.500     2.500     3.500 peak  3144 weight  0.11000E+01 volume  0.27243E-02 ppm1      7.325 ppm2      2.019
 ASSI { 3146}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 40   and name HZ  ))
      3.000     3.000     3.000 peak  3146 weight  0.11000E+01 volume  0.91063E-03 ppm1      6.901 ppm2      4.553
 ASSI { 3148}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 60   and name HD% )
      3.100     3.100     2.900 peak  3148 weight  0.11000E+01 volume  0.76178E-03 ppm1      6.624 ppm2      2.015
 ASSI { 3165}
   (  segid "    " and resid 55   and name HE% )
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  3165 weight  0.11000E+01 volume  0.18696E-02 ppm1      4.559 ppm2      2.060
 ASSI { 3170}
   (  segid "    " and resid 55   and name HE% )
   (( segid "    " and resid 55   and name HG3 ))
      2.900     1.100     1.100 peak  3170 weight  0.11000E+01 volume  0.15217E-02 ppm1      2.619 ppm2      2.060
 ASSI { 3171}
   (  segid "    " and resid 55   and name HE% )
   (( segid "    " and resid 55   and name HG2 ))
      2.900     1.100     1.100 peak  3171 weight  0.11000E+01 volume  0.14833E-02 ppm1      2.525 ppm2      2.060
 ASSI { 3172}
   (  segid "    " and resid 55   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
      2.400     2.400     3.600 peak  3172 weight  0.11000E+01 volume  0.54167E-02 ppm1      2.217 ppm2      2.060
 ASSI { 3174}
   (  segid "    " and resid 55   and name HE% )
   (( segid "    " and resid 55   and name HB3 ))
      2.400     0.700     0.700 peak  3174 weight  0.11000E+01 volume  0.55780E-02 ppm1      1.824 ppm2      2.060
 ASSI { 3175}
   (  segid "    " and resid 55   and name HE% )
   (  segid "    " and resid 82   and name HB% )
      2.100     0.600     0.600 peak  3175 weight  0.11000E+01 volume  0.10638E-01 ppm1      1.478 ppm2      2.060
 ASSI { 3176}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 55   and name HE% )
      2.800     2.800     3.200 peak  3176 weight  0.10000E+01 volume  0.19839E-02 ppm1      0.657 ppm2      2.060
 ASSI { 3227}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.600     0.600 peak  3227 weight  0.11000E+01 volume  0.71343E-02 ppm1      4.281 ppm2      2.018
 ASSI { 3230}
   (  segid "    " and resid 41   and name HE% )
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak  3230 weight  0.11000E+01 volume  0.25027E-02 ppm1      4.874 ppm2      2.019
 ASSI { 3231}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 41   and name HE% )
      2.900     2.900     3.100 peak  3231 weight  0.10000E+01 volume  0.14670E-02 ppm1      4.541 ppm2      2.019
 ASSI { 3235}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HB3 ))
      2.700     0.900     0.900 peak  3235 weight  0.11000E+01 volume  0.25674E-02 ppm1      1.906 ppm2      4.059
 ASSI { 3237}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 75   and name HG3 ))
      2.400     0.700     0.700 peak  3237 weight  0.11000E+01 volume  0.49437E-02 ppm1      0.344 ppm2      1.359


#HBOND DISTANCE RESTRAINTS
assign ( residue   22 and name HN  ) ( residue   18  and name O )  1.80  0.00  0.50
assign ( residue   22 and name N  )  ( residue   18  and name O )  2.80  0.00  0.50

assign ( residue   23 and name HN  ) ( residue   19  and name O )  1.80  0.00  0.50
assign ( residue   23 and name N  )  ( residue   19  and name O )  2.80  0.00  0.50

assign ( residue   24 and name HN  ) ( residue   20  and name O )  1.80  0.00  0.50
assign ( residue   24 and name N  )  ( residue   20  and name O )  2.80  0.00  0.50

assign ( residue   25 and name HN  ) ( residue   21  and name O )  1.80  0.00  0.50
assign ( residue   25 and name N  )  ( residue   21  and name O )  2.80  0.00  0.50

assign ( residue   26 and name HN  ) ( residue   22  and name O )  1.80  0.00  0.50
assign ( residue   26 and name N  )  ( residue   22  and name O )  2.80  0.00  0.50

assign ( residue   27 and name HN  ) ( residue   23  and name O )  1.80  0.00  0.50
assign ( residue   27 and name N  )  ( residue   23  and name O )  2.80  0.00  0.50

assign ( residue   28 and name HN  ) ( residue   24  and name O )  1.80  0.00  0.50
assign ( residue   28 and name N  )  ( residue   24  and name O )  2.80  0.00  0.50

assign ( residue   29 and name HN  ) ( residue   25  and name O )  1.80  0.00  0.50
assign ( residue   29 and name N  )  ( residue   25  and name O )  2.80  0.00  0.50

assign ( residue   46 and name HN  ) ( residue   42  and name O )  1.80  0.00  0.50
assign ( residue   46 and name N  )  ( residue   42  and name O )  2.80  0.00  0.50

assign ( residue   47 and name HN  ) ( residue   43  and name O )  1.80  0.00  0.50
assign ( residue   47 and name N  )  ( residue   43  and name O )  2.80  0.00  0.50

assign ( residue   48 and name HN  ) ( residue   44  and name O )  1.80  0.00  0.50
assign ( residue   48 and name N  )  ( residue   44  and name O )  2.80  0.00  0.50

assign ( residue   49 and name HN  ) ( residue   45  and name O )  1.80  0.00  0.50
assign ( residue   49 and name N  )  ( residue   45  and name O )  2.80  0.00  0.50

assign ( residue   50 and name HN  ) ( residue   46  and name O )  1.80  0.00  0.50
assign ( residue   50 and name N  )  ( residue   46  and name O )  2.80  0.00  0.50

assign ( residue   51 and name HN  ) ( residue   47  and name O )  1.80  0.00  0.50
assign ( residue   51 and name N  )  ( residue   47  and name O )  2.80  0.00  0.50

assign ( residue   52 and name HN  ) ( residue   48  and name O )  1.80  0.00  0.50
assign ( residue   52 and name N  )  ( residue   48  and name O )  2.80  0.00  0.50

assign ( residue   53 and name HN  ) ( residue   49  and name O )  1.80  0.00  0.50
assign ( residue   53 and name N  )  ( residue   49  and name O )  2.80  0.00  0.50

assign ( residue   88 and name HN  ) ( residue   84  and name O )  1.80  0.00  0.50
assign ( residue   88 and name N  )  ( residue   84  and name O )  2.80  0.00  0.50


#DIHEDRAL RESTRAINTS
! ==> hnha.J_ed: phi dih. restraints in sec. structure regions if J <= Ja or J >= Jb
!   13 J= 3.91
assign (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -60.00   40.00   2

!   14 J= 2.66
assign (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -60.00   40.00   2

!   15 J= 4.89
assign (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -60.00   40.00   2

!   16 J= 5.28
assign (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )  1.00  -60.00   40.00   2

!   17 J= 5.04
assign (resid   16 and name C ) (resid   17 and name N )
       (resid   17 and name CA) (resid   17 and name C )  1.00  -60.00   40.00   2

!   18 J= 4.73
assign (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.00  -60.00   40.00   2

!   19 J= 4.33
assign (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )  1.00  -60.00   40.00   2

!   20 J= 4.41
assign (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -60.00   40.00   2

!   21 J= 6.25
assign (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.00  -60.00   40.00   2

!   22 J= 6.19
assign (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.00  -60.00   40.00   2

!   23 J= 4.57
assign (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -60.00   40.00   2

!   24 J= 4.52
assign (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -60.00   40.00   2

!   25 J= 4.97
assign (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -60.00   40.00   2

!   26 J= 4.01
assign (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -60.00   40.00   2

!   27 J= 5.39
assign (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -60.00   40.00   2

!   28 J= 5.46
assign (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -60.00   40.00   2

!   29 J= 5.04
assign (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -60.00   40.00   2

!   40 J= 3.15
assign (resid   39 and name C ) (resid   40 and name N )
       (resid   40 and name CA) (resid   40 and name C )  1.00  -60.00   40.00   2

!   43 J= 4.26
assign (resid   42 and name C ) (resid   43 and name N )
       (resid   43 and name CA) (resid   43 and name C )  1.00  -60.00   40.00   2

!   44 J= 0.63
assign (resid   43 and name C ) (resid   44 and name N )
       (resid   44 and name CA) (resid   44 and name C )  1.00  -60.00   40.00   2

!   46 J= 4.75
assign (resid   45 and name C ) (resid   46 and name N )
       (resid   46 and name CA) (resid   46 and name C )  1.00  -60.00   40.00   2

!   47 J= 4.32
assign (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -60.00   40.00   2

!   49 J= 4.53
assign (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -60.00   40.00   2

!   50 J= 5.22
assign (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -60.00   40.00   2

!   51 J= 6.59
assign (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -60.00   40.00   2

!   59 J= 6.56
assign (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -60.00   40.00   2

!   60 J= 5.12
assign (resid   59 and name C ) (resid   60 and name N )
       (resid   60 and name CA) (resid   60 and name C )  1.00  -60.00   40.00   2

!   61 J= 4.80
assign (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -60.00   40.00   2

!   67 J= 4.46
assign (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.00  -60.00   40.00   2

!   68 J= 2.54
assign (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.00  -60.00   40.00   2

!   69 J= 2.16
assign (resid   68 and name C ) (resid   69 and name N )
       (resid   69 and name CA) (resid   69 and name C )  1.00  -60.00   40.00   2

!   71 J= 3.27
assign (resid   70 and name C ) (resid   71 and name N )
       (resid   71 and name CA) (resid   71 and name C )  1.00  -60.00   40.00   2

!   72 J= 5.46
assign (resid   71 and name C ) (resid   72 and name N )
       (resid   72 and name CA) (resid   72 and name C )  1.00  -60.00   40.00   2

!   74 J= 2.81
assign (resid   73 and name C ) (resid   74 and name N )
       (resid   74 and name CA) (resid   74 and name C )  1.00  -60.00   40.00   2

!   75 J= 1.56
assign (resid   74 and name C ) (resid   75 and name N )
       (resid   75 and name CA) (resid   75 and name C )  1.00  -60.00   40.00   2

!   79 J= 5.29
assign (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.00  -60.00   40.00   2

!   80 J= 4.91
assign (resid   79 and name C ) (resid   80 and name N )
       (resid   80 and name CA) (resid   80 and name C )  1.00  -60.00   40.00   2

!   81 J= 4.74
assign (resid   80 and name C ) (resid   81 and name N )
       (resid   81 and name CA) (resid   81 and name C )  1.00  -60.00   40.00   2

!   82 J= 4.45
assign (resid   81 and name C ) (resid   82 and name N )
       (resid   82 and name CA) (resid   82 and name C )  1.00  -60.00   40.00   2

!   83 J= 6.22
assign (resid   82 and name C ) (resid   83 and name N )
       (resid   83 and name CA) (resid   83 and name C )  1.00  -60.00   40.00   2

!   84 J= 4.85
assign (resid   83 and name C ) (resid   84 and name N )
       (resid   84 and name CA) (resid   84 and name C )  1.00  -60.00   40.00   2

!   85 J= 4.45
assign (resid   84 and name C ) (resid   85 and name N )
       (resid   85 and name CA) (resid   85 and name C )  1.00  -60.00   40.00   2

!   86 J= 6.12
assign (resid   85 and name C ) (resid   86 and name N )
       (resid   86 and name CA) (resid   86 and name C )  1.00  -60.00   40.00   2

!   88 J= 6.25
assign (resid   87 and name C ) (resid   88 and name N )
       (resid   88 and name CA) (resid   88 and name C )  1.00  -60.00   40.00   2

!   15 LEU      3J(N,CG)= 1.77  trans
ASSIGN (resid   15 and name N ) (resid   15 and name CA )
       (resid   15 and name CB) (resid   15 and name CG )  1.00   180.00   40.00   2

!   16 ARG      3J(N,CG)= 1.78  trans
ASSIGN (resid   16 and name N ) (resid   16 and name CA )
       (resid   16 and name CB) (resid   16 and name CG )  1.00   180.00   40.00   2

!   21 ARG      3J(N,CG)= 1.51  trans
ASSIGN (resid   21 and name N ) (resid   21 and name CA )
       (resid   21 and name CB) (resid   21 and name CG )  1.00   180.00   40.00   2

!   23 ARG      3J(N,CG)= 1.95  trans
ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name CB) (resid   23 and name CG )  1.00   180.00   40.00   2

!   25 LEU      3J(N,CG)= 1.71  trans
ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name CB) (resid   25 and name CG )  1.00   180.00   40.00   2

!   32 ARG      3J(N,CG)= 1.65  trans
ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name CB) (resid   32 and name CG )  1.00   180.00   40.00   2

!   41 MET      3J(N,CG)= 1.67  trans
ASSIGN (resid   41 and name N ) (resid   41 and name CA )
       (resid   41 and name CB) (resid   41 and name CG )  1.00   180.00   40.00   2




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLU  11           HN       GLU  11  19.530  -1.863  -1.700
    2    HA   GLU  11           HA       GLU  11  17.461  -0.708  -3.428
    3   1HB   GLU  11           HB2      GLU  11  19.374  -2.473  -4.136
    4   2HB   GLU  11           HB3      GLU  11  18.095  -3.588  -3.664
    5   1HG   GLU  11           HG2      GLU  11  17.408  -3.341  -5.772
    6   2HG   GLU  11           HG3      GLU  11  16.719  -1.827  -5.185
    7    H    LEU  12           HN       LEU  12  17.422  -1.240  -0.510
    8    HA   LEU  12           HA       LEU  12  15.475  -3.347  -0.138
    9   1HB   LEU  12           HB2      LEU  12  17.066  -1.541   1.563
   10   2HB   LEU  12           HB3      LEU  12  15.487  -1.970   2.198
   11    HG   LEU  12           HG       LEU  12  17.033  -4.246   1.167
   12   1HD1  LEU  12          HD11      LEU  12  18.544  -2.451   2.559
   13   2HD1  LEU  12          HD12      LEU  12  17.944  -3.499   3.844
   14   3HD1  LEU  12          HD13      LEU  12  18.841  -4.188   2.494
   15   1HD2  LEU  12          HD21      LEU  12  16.127  -5.322   3.081
   16   2HD2  LEU  12          HD22      LEU  12  15.712  -3.774   3.819
   17   3HD2  LEU  12          HD23      LEU  12  14.857  -4.316   2.376
   18    H    ASN  13           HN       ASN  13  14.312  -2.057  -1.890
   19    HA   ASN  13           HA       ASN  13  12.970   0.299  -1.476
   20   1HB   ASN  13           HB2      ASN  13  13.200  -1.259  -3.579
   21   2HB   ASN  13           HB3      ASN  13  11.673  -1.924  -3.008
   22   1HD2  ASN  13          HD21      ASN  13  13.263   1.119  -3.867
   23   2HD2  ASN  13          HD22      ASN  13  11.826   1.883  -4.465
   24    H    ASN  14           HN       ASN  14  11.936   0.645   0.348
   25    HA   ASN  14           HA       ASN  14  10.360  -1.227   1.768
   26   1HB   ASN  14           HB2      ASN  14  11.299   1.323   2.269
   27   2HB   ASN  14           HB3      ASN  14   9.567   1.581   2.103
   28   1HD2  ASN  14          HD21      ASN  14  10.876   2.035   4.476
   29   2HD2  ASN  14          HD22      ASN  14  10.372   0.857   5.637
   30    H    LEU  15           HN       LEU  15   9.744   0.933  -0.873
   31    HA   LEU  15           HA       LEU  15   6.933   1.024  -0.803
   32   1HB   LEU  15           HB2      LEU  15   8.913   2.073  -2.358
   33   2HB   LEU  15           HB3      LEU  15   8.218   0.893  -3.451
   34    HG   LEU  15           HG       LEU  15   6.322   2.709  -2.075
   35   1HD1  LEU  15          HD11      LEU  15   7.686   4.462  -2.593
   36   2HD1  LEU  15          HD12      LEU  15   8.459   3.610  -3.931
   37   3HD1  LEU  15          HD13      LEU  15   6.840   4.283  -4.131
   38   1HD2  LEU  15          HD21      LEU  15   5.161   2.549  -4.176
   39   2HD2  LEU  15          HD22      LEU  15   6.552   1.776  -4.933
   40   3HD2  LEU  15          HD23      LEU  15   5.653   0.930  -3.675
   41    H    ARG  16           HN       ARG  16   9.210  -1.331  -2.056
   42    HA   ARG  16           HA       ARG  16   7.300  -2.921  -3.444
   43   1HB   ARG  16           HB2      ARG  16   9.624  -3.140  -4.034
   44   2HB   ARG  16           HB3      ARG  16  10.061  -3.530  -2.378
   45   1HG   ARG  16           HG2      ARG  16  10.089  -5.496  -3.846
   46   2HG   ARG  16           HG3      ARG  16   8.927  -5.651  -2.531
   47   1HD   ARG  16           HD2      ARG  16   7.332  -6.081  -4.018
   48   2HD   ARG  16           HD3      ARG  16   7.547  -4.460  -4.675
   49    HE   ARG  16           HE       ARG  16   8.699  -5.347  -6.463
   50   1HH1  ARG  16          HH12      ARG  16   8.296  -7.859  -4.022
   51   2HH1  ARG  16          HH11      ARG  16   8.774  -9.133  -5.104
   52   1HH2  ARG  16          HH22      ARG  16   9.333  -7.027  -7.840
   53   2HH2  ARG  16          HH21      ARG  16   9.381  -8.663  -7.251
   54    H    MET  17           HN       MET  17   8.648  -2.885  -0.203
   55    HA   MET  17           HA       MET  17   7.400  -5.275   0.702
   56   1HB   MET  17           HB2      MET  17   9.210  -3.454   1.772
   57   2HB   MET  17           HB3      MET  17   7.785  -3.243   2.777
   58   1HG   MET  17           HG2      MET  17   8.636  -4.932   3.961
   59   2HG   MET  17           HG3      MET  17   7.979  -5.951   2.681
   60   1HE   MET  17           HE1      MET  17  11.756  -4.535   4.005
   61   2HE   MET  17           HE2      MET  17  12.118  -4.165   2.318
   62   3HE   MET  17           HE3      MET  17  10.698  -3.461   3.089
   63    H    THR  18           HN       THR  18   6.476  -1.924   0.464
   64    HA   THR  18           HA       THR  18   4.117  -2.025   2.016
   65    HB   THR  18           HB       THR  18   4.757  -0.178  -0.299
   66    HG1  THR  18           HG1      THR  18   6.340  -0.214   1.458
   67   1HG2  THR  18          HG21      THR  18   3.032   1.181   0.370
   68   2HG2  THR  18          HG22      THR  18   3.118   0.639   2.048
   69   3HG2  THR  18          HG23      THR  18   2.363  -0.387   0.830
   70    H    TYR  19           HN       TYR  19   4.661  -2.167  -1.494
   71    HA   TYR  19           HA       TYR  19   2.036  -2.600  -2.319
   72   1HB   TYR  19           HB2      TYR  19   3.851  -1.989  -3.834
   73   2HB   TYR  19           HB3      TYR  19   4.640  -3.532  -3.538
   74    HD1  TYR  19           HD1      TYR  19   1.534  -2.039  -4.965
   75    HD2  TYR  19           HD2      TYR  19   4.184  -5.366  -4.913
   76    HE1  TYR  19           HE1      TYR  19   0.390  -2.980  -6.934
   77    HE2  TYR  19           HE2      TYR  19   3.056  -6.312  -6.869
   78    HH   TYR  19           HH       TYR  19   0.072  -5.119  -8.072
   79    H    GLU  20           HN       GLU  20   4.533  -4.868  -1.298
   80    HA   GLU  20           HA       GLU  20   3.040  -7.209  -1.897
   81   1HB   GLU  20           HB2      GLU  20   5.266  -7.716  -1.805
   82   2HB   GLU  20           HB3      GLU  20   5.584  -6.553  -0.525
   83   1HG   GLU  20           HG2      GLU  20   4.210  -8.167   0.928
   84   2HG   GLU  20           HG3      GLU  20   4.592  -9.347  -0.325
   85    H    ARG  21           HN       ARG  21   3.595  -5.311   1.074
   86    HA   ARG  21           HA       ARG  21   2.249  -7.026   2.851
   87   1HB   ARG  21           HB2      ARG  21   3.647  -4.733   3.140
   88   2HB   ARG  21           HB3      ARG  21   2.006  -4.136   3.387
   89   1HG   ARG  21           HG2      ARG  21   2.493  -4.726   5.519
   90   2HG   ARG  21           HG3      ARG  21   1.892  -6.285   4.949
   91   1HD   ARG  21           HD2      ARG  21   4.762  -5.407   5.117
   92   2HD   ARG  21           HD3      ARG  21   3.980  -6.572   6.174
   93    HE   ARG  21           HE       ARG  21   5.094  -7.045   3.573
   94   1HH1  ARG  21          HH12      ARG  21   2.653  -8.196   5.830
   95   2HH1  ARG  21          HH11      ARG  21   2.559  -9.775   5.112
   96   1HH2  ARG  21          HH22      ARG  21   5.001  -9.138   2.684
   97   2HH2  ARG  21          HH21      ARG  21   3.891 -10.316   3.340
   98    H    LEU  22           HN       LEU  22   1.166  -4.556   0.646
   99    HA   LEU  22           HA       LEU  22  -1.532  -4.373   1.601
  100   1HB   LEU  22           HB2      LEU  22   0.006  -3.472  -0.780
  101   2HB   LEU  22           HB3      LEU  22  -1.737  -3.548  -0.929
  102    HG   LEU  22           HG       LEU  22  -0.586  -2.124   1.411
  103   1HD1  LEU  22          HD11      LEU  22  -0.902  -0.152  -0.498
  104   2HD1  LEU  22          HD12      LEU  22   0.625  -0.756   0.141
  105   3HD1  LEU  22          HD13      LEU  22  -0.033  -1.429  -1.351
  106   1HD2  LEU  22          HD21      LEU  22  -2.831  -1.994   1.583
  107   2HD2  LEU  22          HD22      LEU  22  -2.621  -0.648   0.464
  108   3HD2  LEU  22          HD23      LEU  22  -3.092  -2.237  -0.148
  109    H    ARG  23           HN       ARG  23   0.135  -6.205  -0.920
  110    HA   ARG  23           HA       ARG  23  -2.144  -7.400  -2.080
  111   1HB   ARG  23           HB2      ARG  23   0.054  -7.365  -3.157
  112   2HB   ARG  23           HB3      ARG  23   0.710  -8.379  -1.884
  113   1HG   ARG  23           HG2      ARG  23   0.038 -10.237  -2.893
  114   2HG   ARG  23           HG3      ARG  23  -1.592  -9.592  -3.145
  115   1HD   ARG  23           HD2      ARG  23   0.586  -8.491  -4.829
  116   2HD   ARG  23           HD3      ARG  23   0.096 -10.145  -5.148
  117    HE   ARG  23           HE       ARG  23  -2.276  -8.986  -5.143
  118   1HH1  ARG  23          HH12      ARG  23   0.745  -8.027  -6.633
  119   2HH1  ARG  23          HH11      ARG  23  -0.018  -7.053  -7.853
  120   1HH2  ARG  23          HH22      ARG  23  -3.290  -7.806  -6.820
  121   2HH2  ARG  23          HH21      ARG  23  -2.312  -6.929  -7.962
  122    H    GLU  24           HN       GLU  24  -0.019  -8.360   0.577
  123    HA   GLU  24           HA       GLU  24  -1.255 -10.884   1.043
  124   1HB   GLU  24           HB2      GLU  24   0.974  -9.461   1.983
  125   2HB   GLU  24           HB3      GLU  24  -0.030  -9.753   3.392
  126   1HG   GLU  24           HG2      GLU  24  -0.057 -12.153   2.851
  127   2HG   GLU  24           HG3      GLU  24   1.025 -11.828   1.490
  128    H    LEU  25           HN       LEU  25  -1.712  -7.632   2.304
  129    HA   LEU  25           HA       LEU  25  -3.503  -8.408   4.375
  130   1HB   LEU  25           HB2      LEU  25  -2.072  -6.150   3.774
  131   2HB   LEU  25           HB3      LEU  25  -3.703  -5.655   3.380
  132    HG   LEU  25           HG       LEU  25  -2.436  -5.908   5.957
  133   1HD1  LEU  25          HD11      LEU  25  -5.026  -4.881   6.201
  134   2HD1  LEU  25          HD12      LEU  25  -3.506  -3.994   6.081
  135   3HD1  LEU  25          HD13      LEU  25  -4.429  -4.366   4.623
  136   1HD2  LEU  25          HD21      LEU  25  -3.447  -7.800   6.664
  137   2HD2  LEU  25          HD22      LEU  25  -4.842  -6.742   6.863
  138   3HD2  LEU  25          HD23      LEU  25  -4.688  -7.742   5.414
  139    H    SER  26           HN       SER  26  -3.890  -7.247   1.060
  140    HA   SER  26           HA       SER  26  -6.679  -6.845   1.130
  141   1HB   SER  26           HB2      SER  26  -5.030  -7.717  -1.265
  142   2HB   SER  26           HB3      SER  26  -6.597  -6.916  -1.302
  143    HG   SER  26           HG       SER  26  -4.140  -5.840  -0.397
  144    H    LEU  27           HN       LEU  27  -4.717  -9.717   0.470
  145    HA   LEU  27           HA       LEU  27  -7.014 -11.311  -0.199
  146   1HB   LEU  27           HB2      LEU  27  -4.153 -11.604  -0.276
  147   2HB   LEU  27           HB3      LEU  27  -4.872 -13.006   0.495
  148    HG   LEU  27           HG       LEU  27  -6.312 -13.344  -1.468
  149   1HD1  LEU  27          HD11      LEU  27  -5.721 -10.693  -2.006
  150   2HD1  LEU  27          HD12      LEU  27  -4.868 -11.590  -3.263
  151   3HD1  LEU  27          HD13      LEU  27  -6.606 -11.804  -3.050
  152   1HD2  LEU  27          HD21      LEU  27  -4.643 -14.221  -2.917
  153   2HD2  LEU  27          HD22      LEU  27  -3.439 -13.072  -2.332
  154   3HD2  LEU  27          HD23      LEU  27  -4.021 -14.365  -1.276
  155    H    ASN  28           HN       ASN  28  -5.207 -10.561   2.661
  156    HA   ASN  28           HA       ASN  28  -6.163 -12.701   4.278
  157   1HB   ASN  28           HB2      ASN  28  -4.550 -10.283   4.639
  158   2HB   ASN  28           HB3      ASN  28  -5.555 -10.645   6.035
  159   1HD2  ASN  28          HD21      ASN  28  -2.872 -11.676   4.075
  160   2HD2  ASN  28          HD22      ASN  28  -2.295 -12.903   5.157
  161    H    LEU  29           HN       LEU  29  -6.977  -9.225   4.343
  162    HA   LEU  29           HA       LEU  29  -9.251  -9.564   6.001
  163   1HB   LEU  29           HB2      LEU  29  -8.547  -7.322   4.099
  164   2HB   LEU  29           HB3      LEU  29  -9.824  -7.251   5.296
  165    HG   LEU  29           HG       LEU  29  -7.014  -7.802   6.155
  166   1HD1  LEU  29          HD11      LEU  29  -7.834  -5.006   6.237
  167   2HD1  LEU  29          HD12      LEU  29  -6.282  -5.732   5.817
  168   3HD1  LEU  29          HD13      LEU  29  -7.565  -5.636   4.612
  169   1HD2  LEU  29          HD21      LEU  29  -7.791  -7.448   8.205
  170   2HD2  LEU  29          HD22      LEU  29  -8.673  -6.001   7.721
  171   3HD2  LEU  29          HD23      LEU  29  -9.403  -7.593   7.507
  172    H    GLY  30           HN       GLY  30  -8.753  -9.633   2.542
  173   1HA   GLY  30           HA1      GLY  30 -11.410  -9.293   1.737
  174   2HA   GLY  30           HA2      GLY  30 -10.173 -10.109   0.798
  175    H    ASN  31           HN       ASN  31  -9.680 -12.167   2.790
  176    HA   ASN  31           HA       ASN  31 -11.938 -13.877   2.094
  177   1HB   ASN  31           HB2      ASN  31  -9.373 -14.465   1.994
  178   2HB   ASN  31           HB3      ASN  31  -9.568 -14.776   3.714
  179   1HD2  ASN  31          HD21      ASN  31 -10.331 -15.848   0.506
  180   2HD2  ASN  31          HD22      ASN  31 -10.993 -17.378   0.970
  181    H    ARG  32           HN       ARG  32 -10.992 -11.916   4.650
  182    HA   ARG  32           HA       ARG  32 -12.315 -13.494   6.700
  183   1HB   ARG  32           HB2      ARG  32 -10.163 -11.934   6.887
  184   2HB   ARG  32           HB3      ARG  32 -11.381 -10.710   7.210
  185   1HG   ARG  32           HG2      ARG  32 -11.858 -11.541   9.250
  186   2HG   ARG  32           HG3      ARG  32 -11.657 -13.215   8.733
  187   1HD   ARG  32           HD2      ARG  32  -9.523 -11.237   9.503
  188   2HD   ARG  32           HD3      ARG  32  -9.924 -12.764  10.291
  189    HE   ARG  32           HE       ARG  32  -9.150 -13.765   8.044
  190   1HH1  ARG  32          HH12      ARG  32  -7.849 -10.886   9.525
  191   2HH1  ARG  32          HH11      ARG  32  -6.267 -11.071   8.822
  192   1HH2  ARG  32          HH22      ARG  32  -7.117 -14.056   7.134
  193   2HH2  ARG  32          HH21      ARG  32  -5.849 -12.906   7.447
  194    H    MET  33           HN       MET  33 -13.267 -11.486   4.288
  195    HA   MET  33           HA       MET  33 -15.412 -10.236   5.833
  196   1HB   MET  33           HB2      MET  33 -14.210  -8.781   4.265
  197   2HB   MET  33           HB3      MET  33 -14.605  -9.862   2.940
  198   1HG   MET  33           HG2      MET  33 -16.878  -9.294   3.002
  199   2HG   MET  33           HG3      MET  33 -16.722  -8.523   4.579
  200   1HE   MET  33           HE1      MET  33 -15.737  -6.227   5.031
  201   2HE   MET  33           HE2      MET  33 -16.016  -4.954   3.844
  202   3HE   MET  33           HE3      MET  33 -17.354  -5.975   4.374
  203    H    VAL  34           HN       VAL  34 -17.585 -10.727   5.467
  204    HA   VAL  34           HA       VAL  34 -18.037 -13.038   3.688
  205    HB   VAL  34           HB       VAL  34 -19.770 -12.583   6.092
  206   1HG1  VAL  34          HG11      VAL  34 -20.051 -14.296   4.094
  207   2HG1  VAL  34          HG12      VAL  34 -18.959 -15.255   5.091
  208   3HG1  VAL  34          HG13      VAL  34 -20.505 -14.710   5.747
  209   1HG2  VAL  34          HG21      VAL  34 -18.373 -13.615   7.587
  210   2HG2  VAL  34          HG22      VAL  34 -17.448 -14.430   6.331
  211   3HG2  VAL  34          HG23      VAL  34 -17.203 -12.706   6.632
  212    HA   PRO  35           HA       PRO  35 -18.952 -13.679   2.154
  213   1HB   PRO  35           HB2      PRO  35 -19.413 -13.157  -0.441
  214   2HB   PRO  35           HB3      PRO  35 -20.684 -13.768   0.622
  215   1HG   PRO  35           HG2      PRO  35 -20.166 -10.969  -0.296
  216   2HG   PRO  35           HG3      PRO  35 -21.711 -11.832  -0.162
  217   1HD   PRO  35           HD2      PRO  35 -20.799 -10.052   1.707
  218   2HD   PRO  35           HD3      PRO  35 -21.894 -11.397   2.079
  219    HA   PRO  36           HA       PRO  36 -14.875 -12.302   1.243
  220   1HB   PRO  36           HB2      PRO  36 -15.005 -14.079  -1.154
  221   2HB   PRO  36           HB3      PRO  36 -13.776 -13.982   0.117
  222   1HG   PRO  36           HG2      PRO  36 -15.523 -15.964   0.139
  223   2HG   PRO  36           HG3      PRO  36 -15.076 -15.161   1.651
  224   1HD   PRO  36           HD2      PRO  36 -17.568 -14.865   0.016
  225   2HD   PRO  36           HD3      PRO  36 -17.373 -14.881   1.782
  226    H    VAL  37           HN       VAL  37 -13.937 -10.707   0.181
  227    HA   VAL  37           HA       VAL  37 -15.470  -9.222  -1.720
  228    HB   VAL  37           HB       VAL  37 -12.617  -8.546  -1.243
  229   1HG1  VAL  37          HG11      VAL  37 -13.408  -6.718  -2.241
  230   2HG1  VAL  37          HG12      VAL  37 -15.083  -7.205  -1.977
  231   3HG1  VAL  37          HG13      VAL  37 -14.205  -6.348  -0.712
  232   1HG2  VAL  37          HG21      VAL  37 -14.650  -8.744   0.910
  233   2HG2  VAL  37          HG22      VAL  37 -12.912  -9.032   0.966
  234   3HG2  VAL  37          HG23      VAL  37 -13.535  -7.377   0.934
  235    H    GLY  38           HN       GLY  38 -12.465 -11.103  -1.854
  236   1HA   GLY  38           HA1      GLY  38 -11.576 -12.172  -3.738
  237   2HA   GLY  38           HA2      GLY  38 -12.773 -11.340  -4.733
  238    H    ASN  39           HN       ASN  39 -12.501  -8.847  -4.580
  239    HA   ASN  39           HA       ASN  39  -9.643  -8.239  -4.919
  240   1HB   ASN  39           HB2      ASN  39 -11.279  -8.129  -6.985
  241   2HB   ASN  39           HB3      ASN  39 -11.770  -6.600  -6.256
  242   1HD2  ASN  39          HD21      ASN  39 -10.927  -5.685  -8.254
  243   2HD2  ASN  39          HD22      ASN  39  -9.229  -5.362  -8.374
  244    H    PHE  40           HN       PHE  40  -9.569  -7.798  -2.672
  245    HA   PHE  40           HA       PHE  40 -11.240  -5.997  -1.320
  246   1HB   PHE  40           HB2      PHE  40  -9.690  -7.623  -0.256
  247   2HB   PHE  40           HB3      PHE  40  -8.333  -6.623  -0.753
  248    HD1  PHE  40           HD1      PHE  40  -7.390  -5.592   1.003
  249    HD2  PHE  40           HD2      PHE  40 -11.630  -5.896   0.882
  250    HE1  PHE  40           HE1      PHE  40  -7.521  -4.325   3.094
  251    HE2  PHE  40           HE2      PHE  40 -11.783  -4.611   2.980
  252    HZ   PHE  40           HZ       PHE  40  -9.726  -3.826   4.093
  253    H    MET  41           HN       MET  41  -8.209  -5.519  -3.036
  254    HA   MET  41           HA       MET  41  -8.872  -2.729  -3.439
  255   1HB   MET  41           HB2      MET  41  -7.377  -3.029  -1.348
  256   2HB   MET  41           HB3      MET  41  -6.097  -3.427  -2.481
  257   1HG   MET  41           HG2      MET  41  -6.155  -1.043  -1.743
  258   2HG   MET  41           HG3      MET  41  -6.199  -1.285  -3.492
  259   1HE   MET  41           HE1      MET  41  -8.863  -0.322  -0.366
  260   2HE   MET  41           HE2      MET  41  -7.328   0.489  -0.686
  261   3HE   MET  41           HE3      MET  41  -8.846   1.272  -1.121
  262    HA   PRO  42           HA       PRO  42  -7.611  -4.105  -7.472
  263   1HB   PRO  42           HB2      PRO  42  -7.450  -1.180  -8.004
  264   2HB   PRO  42           HB3      PRO  42  -8.360  -2.435  -8.857
  265   1HG   PRO  42           HG2      PRO  42  -9.587  -0.697  -7.263
  266   2HG   PRO  42           HG3      PRO  42 -10.090  -2.399  -7.320
  267   1HD   PRO  42           HD2      PRO  42  -8.425  -0.977  -5.267
  268   2HD   PRO  42           HD3      PRO  42  -9.699  -2.189  -5.034
  269    H    ASP  43           HN       ASP  43  -5.762  -4.298  -8.619
  270    HA   ASP  43           HA       ASP  43  -3.296  -4.054  -7.423
  271   1HB   ASP  43           HB2      ASP  43  -3.962  -5.396  -9.488
  272   2HB   ASP  43           HB3      ASP  43  -3.673  -3.926 -10.414
  273    H    SER  44           HN       SER  44  -4.889  -1.751  -9.599
  274    HA   SER  44           HA       SER  44  -2.714  -0.001  -9.913
  275   1HB   SER  44           HB2      SER  44  -5.037   1.554 -10.076
  276   2HB   SER  44           HB3      SER  44  -4.194   0.759 -11.412
  277    HG   SER  44           HG       SER  44  -6.465   0.203 -11.178
  278    H    ILE  45           HN       ILE  45  -5.438   0.066  -7.616
  279    HA   ILE  45           HA       ILE  45  -4.662   2.455  -6.331
  280    HB   ILE  45           HB       ILE  45  -6.233   0.185  -5.123
  281   1HG1  ILE  45          HG12      ILE  45  -7.168   0.964  -7.295
  282   2HG1  ILE  45          HG13      ILE  45  -8.233   1.291  -5.931
  283   1HG2  ILE  45          HG21      ILE  45  -6.903   2.910  -4.349
  284   2HG2  ILE  45          HG22      ILE  45  -6.595   1.495  -3.344
  285   3HG2  ILE  45          HG23      ILE  45  -5.247   2.468  -3.937
  286   1HD1  ILE  45          HD11      ILE  45  -8.243   3.462  -6.389
  287   2HD1  ILE  45          HD12      ILE  45  -6.482   3.532  -6.435
  288   3HD1  ILE  45          HD13      ILE  45  -7.386   3.085  -7.882
  289    H    LEU  46           HN       LEU  46  -3.876  -0.947  -5.753
  290    HA   LEU  46           HA       LEU  46  -2.550  -0.623  -3.279
  291   1HB   LEU  46           HB2      LEU  46  -2.051  -2.636  -5.479
  292   2HB   LEU  46           HB3      LEU  46  -1.390  -2.751  -3.859
  293    HG   LEU  46           HG       LEU  46  -4.359  -2.646  -4.329
  294   1HD1  LEU  46          HD11      LEU  46  -4.356  -5.098  -4.255
  295   2HD1  LEU  46          HD12      LEU  46  -3.515  -4.477  -5.679
  296   3HD1  LEU  46          HD13      LEU  46  -2.591  -5.085  -4.307
  297   1HD2  LEU  46          HD21      LEU  46  -2.656  -3.788  -2.113
  298   2HD2  LEU  46          HD22      LEU  46  -3.576  -2.284  -2.044
  299   3HD2  LEU  46          HD23      LEU  46  -4.421  -3.827  -2.189
  300    H    LYS  47           HN       LYS  47  -1.504  -0.199  -6.603
  301    HA   LYS  47           HA       LYS  47   1.267   0.056  -6.065
  302   1HB   LYS  47           HB2      LYS  47  -0.537   0.521  -8.346
  303   2HB   LYS  47           HB3      LYS  47   0.956   1.443  -8.361
  304   1HG   LYS  47           HG2      LYS  47   2.255  -0.609  -8.203
  305   2HG   LYS  47           HG3      LYS  47   0.769  -1.555  -8.124
  306   1HD   LYS  47           HD2      LYS  47   1.086   0.295 -10.419
  307   2HD   LYS  47           HD3      LYS  47   2.101  -1.149 -10.402
  308   1HE   LYS  47           HE2      LYS  47   0.032  -2.510 -10.071
  309   2HE   LYS  47           HE3      LYS  47  -0.911  -1.033 -10.268
  310   1HZ   LYS  47           HZ1      LYS  47  -0.788  -2.252 -12.328
  311   2HZ   LYS  47           HZ2      LYS  47   0.909  -2.215 -12.284
  312   3HZ   LYS  47           HZ3      LYS  47   0.034  -0.772 -12.471
  313    H    LYS  48           HN       LYS  48  -1.161   2.577  -6.833
  314    HA   LYS  48           HA       LYS  48   0.621   4.722  -6.405
  315   1HB   LYS  48           HB2      LYS  48  -1.664   6.008  -6.069
  316   2HB   LYS  48           HB3      LYS  48  -1.177   5.422  -7.649
  317   1HG   LYS  48           HG2      LYS  48  -2.584   3.462  -7.392
  318   2HG   LYS  48           HG3      LYS  48  -3.043   3.996  -5.774
  319   1HD   LYS  48           HD2      LYS  48  -4.804   4.883  -6.865
  320   2HD   LYS  48           HD3      LYS  48  -3.671   6.191  -7.204
  321   1HE   LYS  48           HE2      LYS  48  -3.196   4.300  -9.189
  322   2HE   LYS  48           HE3      LYS  48  -4.952   4.334  -9.015
  323   1HZ   LYS  48           HZ1      LYS  48  -4.521   6.007 -10.555
  324   2HZ   LYS  48           HZ2      LYS  48  -3.123   6.533  -9.758
  325   3HZ   LYS  48           HZ3      LYS  48  -4.647   6.870  -9.101
  326    H    MET  49           HN       MET  49  -1.711   3.151  -4.252
  327    HA   MET  49           HA       MET  49  -1.360   5.016  -2.161
  328   1HB   MET  49           HB2      MET  49  -2.912   3.824  -1.052
  329   2HB   MET  49           HB3      MET  49  -3.145   3.060  -2.615
  330   1HG   MET  49           HG2      MET  49  -2.350   1.090  -1.907
  331   2HG   MET  49           HG3      MET  49  -1.087   1.838  -0.925
  332   1HE   MET  49           HE1      MET  49  -5.379   0.849   0.350
  333   2HE   MET  49           HE2      MET  49  -4.906   1.367  -1.268
  334   3HE   MET  49           HE3      MET  49  -4.388  -0.204  -0.661
  335    H    ALA  50           HN       ALA  50   0.425   2.192  -3.137
  336    HA   ALA  50           HA       ALA  50   1.888   1.936  -0.691
  337   1HB   ALA  50           HB1      ALA  50   3.410   0.834  -2.775
  338   2HB   ALA  50           HB2      ALA  50   2.355  -0.013  -1.641
  339   3HB   ALA  50           HB3      ALA  50   1.721   0.551  -3.187
  340    H    ALA  51           HN       ALA  51   2.289   3.777  -3.627
  341    HA   ALA  51           HA       ALA  51   5.026   4.497  -2.967
  342   1HB   ALA  51           HB1      ALA  51   4.084   4.111  -5.317
  343   2HB   ALA  51           HB2      ALA  51   3.391   5.724  -5.160
  344   3HB   ALA  51           HB3      ALA  51   5.139   5.503  -5.072
  345    H    ILE  52           HN       ILE  52   1.859   6.099  -3.114
  346    HA   ILE  52           HA       ILE  52   2.993   8.611  -2.255
  347    HB   ILE  52           HB       ILE  52   0.254   7.630  -2.919
  348   1HG1  ILE  52          HG12      ILE  52   0.470   9.990  -4.134
  349   2HG1  ILE  52          HG13      ILE  52   2.184   9.675  -3.909
  350   1HG2  ILE  52          HG21      ILE  52  -0.366   8.780  -0.997
  351   2HG2  ILE  52          HG22      ILE  52   0.849  10.036  -1.237
  352   3HG2  ILE  52          HG23      ILE  52  -0.576   9.965  -2.283
  353   1HD1  ILE  52          HD11      ILE  52   1.875   7.503  -5.062
  354   2HD1  ILE  52          HD12      ILE  52   0.205   7.963  -5.376
  355   3HD1  ILE  52          HD13      ILE  52   1.519   8.906  -6.076
  356    H    LEU  53           HN       LEU  53   1.308   5.914  -0.808
  357    HA   LEU  53           HA       LEU  53   0.711   5.382   1.311
  358   1HB   LEU  53           HB2      LEU  53   3.369   6.721   1.625
  359   2HB   LEU  53           HB3      LEU  53   2.504   6.131   3.029
  360    HG   LEU  53           HG       LEU  53   3.138   4.368   0.677
  361   1HD1  LEU  53          HD11      LEU  53   4.927   5.403   2.697
  362   2HD1  LEU  53          HD12      LEU  53   4.823   3.643   2.749
  363   3HD1  LEU  53          HD13      LEU  53   5.275   4.452   1.250
  364   1HD2  LEU  53          HD21      LEU  53   1.871   2.917   1.777
  365   2HD2  LEU  53          HD22      LEU  53   3.012   2.973   3.123
  366   3HD2  LEU  53          HD23      LEU  53   1.632   4.073   3.085
  367    HA   PRO  54           HA       PRO  54  -1.082   9.534   2.324
  368   1HB   PRO  54           HB2      PRO  54  -3.689   8.526   1.702
  369   2HB   PRO  54           HB3      PRO  54  -2.765   9.752   0.837
  370   1HG   PRO  54           HG2      PRO  54  -3.394   7.252  -0.153
  371   2HG   PRO  54           HG3      PRO  54  -2.081   8.277  -0.750
  372   1HD   PRO  54           HD2      PRO  54  -1.974   5.939   1.097
  373   2HD   PRO  54           HD3      PRO  54  -0.822   6.445  -0.156
  374    H    MET  55           HN       MET  55  -1.213   9.706   4.455
  375    HA   MET  55           HA       MET  55  -2.378   7.529   6.027
  376   1HB   MET  55           HB2      MET  55  -0.429   9.696   6.486
  377   2HB   MET  55           HB3      MET  55  -1.472   9.321   7.846
  378   1HG   MET  55           HG2      MET  55  -0.779   6.873   7.361
  379   2HG   MET  55           HG3      MET  55   0.562   7.625   6.502
  380   1HE   MET  55           HE1      MET  55  -1.567   7.800   9.525
  381   2HE   MET  55           HE2      MET  55  -0.473   7.719  10.900
  382   3HE   MET  55           HE3      MET  55  -0.825   9.277  10.148
  383    H    ASN  56           HN       ASN  56  -3.683  10.012   4.515
  384    HA   ASN  56           HA       ASN  56  -5.786  10.299   6.483
  385   1HB   ASN  56           HB2      ASN  56  -3.819  12.244   6.434
  386   2HB   ASN  56           HB3      ASN  56  -5.074  12.913   5.395
  387   1HD2  ASN  56          HD21      ASN  56  -4.316  14.045   7.814
  388   2HD2  ASN  56          HD22      ASN  56  -5.649  13.933   8.915
  389    H    ASP  57           HN       ASP  57  -7.715  11.286   5.625
  390    HA   ASP  57           HA       ASP  57  -8.263  10.441   2.974
  391   1HB   ASP  57           HB2      ASP  57 -10.319  10.480   3.858
  392   2HB   ASP  57           HB3      ASP  57  -9.750  11.413   5.236
  393    H    SER  58           HN       SER  58  -7.469  13.528   4.409
  394    HA   SER  58           HA       SER  58  -8.057  15.158   2.182
  395   1HB   SER  58           HB2      SER  58  -5.940  16.338   3.601
  396   2HB   SER  58           HB3      SER  58  -7.665  16.642   3.832
  397    HG   SER  58           HG       SER  58  -5.999  15.571   5.552
  398    H    ALA  59           HN       ALA  59  -5.462  13.008   2.925
  399    HA   ALA  59           HA       ALA  59  -3.675  14.128   0.920
  400   1HB   ALA  59           HB1      ALA  59  -3.351  11.754   2.746
  401   2HB   ALA  59           HB2      ALA  59  -2.121  12.372   1.647
  402   3HB   ALA  59           HB3      ALA  59  -2.681  13.367   2.993
  403    H    PHE  60           HN       PHE  60  -5.858  11.485   1.419
  404    HA   PHE  60           HA       PHE  60  -5.161   9.652  -0.503
  405   1HB   PHE  60           HB2      PHE  60  -7.632  10.385   0.909
  406   2HB   PHE  60           HB3      PHE  60  -7.891   9.570  -0.634
  407    HD1  PHE  60           HD1      PHE  60  -8.485   8.615   2.251
  408    HD2  PHE  60           HD2      PHE  60  -5.302   7.925  -0.476
  409    HE1  PHE  60           HE1      PHE  60  -8.054   6.439   3.304
  410    HE2  PHE  60           HE2      PHE  60  -4.861   5.754   0.568
  411    HZ   PHE  60           HZ       PHE  60  -6.231   5.012   2.467
  412    H    ALA  61           HN       ALA  61  -6.565  12.779  -0.983
  413    HA   ALA  61           HA       ALA  61  -7.711  12.455  -3.511
  414   1HB   ALA  61           HB1      ALA  61  -7.912  14.734  -3.573
  415   2HB   ALA  61           HB2      ALA  61  -7.716  14.465  -1.842
  416   3HB   ALA  61           HB3      ALA  61  -6.343  15.005  -2.810
  417    H    THR  62           HN       THR  62  -4.356  12.519  -2.610
  418    HA   THR  62           HA       THR  62  -3.419  13.340  -5.210
  419    HB   THR  62           HB       THR  62  -1.162  12.665  -4.365
  420    HG1  THR  62           HG1      THR  62  -2.570  12.260  -1.902
  421   1HG2  THR  62          HG21      THR  62  -2.832  14.616  -2.794
  422   2HG2  THR  62          HG22      THR  62  -1.791  14.950  -4.181
  423   3HG2  THR  62          HG23      THR  62  -1.082  14.485  -2.636
  424    H    LEU  63           HN       LEU  63  -4.820  10.554  -4.184
  425    HA   LEU  63           HA       LEU  63  -3.121   8.630  -5.498
  426   1HB   LEU  63           HB2      LEU  63  -5.884   8.536  -4.311
  427   2HB   LEU  63           HB3      LEU  63  -5.258   7.187  -5.236
  428    HG   LEU  63           HG       LEU  63  -4.252   8.250  -2.605
  429   1HD1  LEU  63          HD11      LEU  63  -5.662   5.844  -3.571
  430   2HD1  LEU  63          HD12      LEU  63  -4.433   5.605  -2.329
  431   3HD1  LEU  63          HD13      LEU  63  -5.789   6.696  -2.033
  432   1HD2  LEU  63          HD21      LEU  63  -2.572   6.297  -2.925
  433   2HD2  LEU  63          HD22      LEU  63  -2.861   6.574  -4.646
  434   3HD2  LEU  63          HD23      LEU  63  -2.223   7.874  -3.638
  435    H    GLY  64           HN       GLY  64  -5.049  11.031  -6.622
  436   1HA   GLY  64           HA1      GLY  64  -5.507  11.551  -8.827
  437   2HA   GLY  64           HA2      GLY  64  -5.107   9.905  -9.276
  438    H    THR  65           HN       THR  65  -6.777   8.227  -8.521
  439    HA   THR  65           HA       THR  65  -9.477   9.321  -8.394
  440    HB   THR  65           HB       THR  65  -9.715   7.314 -10.274
  441    HG1  THR  65           HG1      THR  65  -7.703   9.101 -11.214
  442   1HG2  THR  65          HG21      THR  65 -10.194  10.162 -10.056
  443   2HG2  THR  65          HG22      THR  65 -11.131   8.929 -10.900
  444   3HG2  THR  65          HG23      THR  65  -9.765   9.703 -11.704
  445    H    VAL  66           HN       VAL  66  -9.974   8.350  -6.450
  446    HA   VAL  66           HA       VAL  66  -9.950   5.410  -6.513
  447    HB   VAL  66           HB       VAL  66 -10.099   5.472  -3.999
  448   1HG1  VAL  66          HG11      VAL  66  -7.451   6.495  -4.286
  449   2HG1  VAL  66          HG12      VAL  66  -8.002   4.830  -4.101
  450   3HG1  VAL  66          HG13      VAL  66  -7.875   5.546  -5.711
  451   1HG2  VAL  66          HG21      VAL  66 -10.628   7.928  -3.888
  452   2HG2  VAL  66          HG22      VAL  66  -9.410   7.339  -2.757
  453   3HG2  VAL  66          HG23      VAL  66  -8.919   8.228  -4.209
  454    H    GLU  67           HN       GLU  67 -11.870   4.548  -6.657
  455    HA   GLU  67           HA       GLU  67 -14.232   5.976  -6.838
  456   1HB   GLU  67           HB2      GLU  67 -13.435   3.268  -6.990
  457   2HB   GLU  67           HB3      GLU  67 -14.784   3.335  -5.867
  458   1HG   GLU  67           HG2      GLU  67 -14.915   4.644  -8.553
  459   2HG   GLU  67           HG3      GLU  67 -15.279   2.936  -8.326
  460    H    ASP  68           HN       ASP  68 -16.048   6.178  -5.424
  461    HA   ASP  68           HA       ASP  68 -15.395   6.828  -2.766
  462   1HB   ASP  68           HB2      ASP  68 -17.405   7.600  -4.205
  463   2HB   ASP  68           HB3      ASP  68 -18.194   6.138  -3.620
  464    H    LYS  69           HN       LYS  69 -16.567   3.909  -4.290
  465    HA   LYS  69           HA       LYS  69 -17.207   2.532  -1.864
  466   1HB   LYS  69           HB2      LYS  69 -17.506   0.588  -3.197
  467   2HB   LYS  69           HB3      LYS  69 -18.065   1.932  -4.177
  468   1HG   LYS  69           HG2      LYS  69 -15.543   1.807  -5.040
  469   2HG   LYS  69           HG3      LYS  69 -15.762   0.125  -4.560
  470   1HD   LYS  69           HD2      LYS  69 -17.631   1.631  -6.397
  471   2HD   LYS  69           HD3      LYS  69 -16.318   0.588  -6.952
  472   1HE   LYS  69           HE2      LYS  69 -17.811  -0.871  -5.047
  473   2HE   LYS  69           HE3      LYS  69 -18.963  -0.123  -6.153
  474   1HZ   LYS  69           HZ1      LYS  69 -17.584  -1.046  -8.003
  475   2HZ   LYS  69           HZ2      LYS  69 -18.359  -2.218  -7.057
  476   3HZ   LYS  69           HZ3      LYS  69 -16.703  -1.920  -6.848
  477    H    TYR  70           HN       TYR  70 -14.340   3.139  -3.683
  478    HA   TYR  70           HA       TYR  70 -12.742   1.089  -2.461
  479   1HB   TYR  70           HB2      TYR  70 -12.073   3.528  -4.118
  480   2HB   TYR  70           HB3      TYR  70 -10.827   2.479  -3.460
  481    HD1  TYR  70           HD1      TYR  70 -10.802   2.883  -6.272
  482    HD2  TYR  70           HD2      TYR  70 -13.195   0.178  -4.037
  483    HE1  TYR  70           HE1      TYR  70 -10.994   1.433  -8.246
  484    HE2  TYR  70           HE2      TYR  70 -13.402  -1.276  -5.999
  485    HH   TYR  70           HH       TYR  70 -12.979  -0.466  -8.955
  486    H    ARG  71           HN       ARG  71 -13.494   4.451  -1.923
  487    HA   ARG  71           HA       ARG  71 -11.546   5.039   0.015
  488   1HB   ARG  71           HB2      ARG  71 -13.440   6.468  -1.315
  489   2HB   ARG  71           HB3      ARG  71 -14.137   6.397   0.292
  490   1HG   ARG  71           HG2      ARG  71 -12.707   7.897   1.091
  491   2HG   ARG  71           HG3      ARG  71 -11.322   7.078   0.369
  492   1HD   ARG  71           HD2      ARG  71 -11.782   9.445  -0.420
  493   2HD   ARG  71           HD3      ARG  71 -11.593   8.218  -1.674
  494    HE   ARG  71           HE       ARG  71 -14.315   8.487  -0.982
  495   1HH1  ARG  71          HH12      ARG  71 -11.774  10.239  -2.629
  496   2HH1  ARG  71          HH11      ARG  71 -12.858  11.002  -3.757
  497   1HH2  ARG  71          HH22      ARG  71 -15.757   9.491  -2.449
  498   2HH2  ARG  71          HH21      ARG  71 -15.129  10.600  -3.640
  499    H    ARG  72           HN       ARG  72 -14.688   3.524   0.217
  500    HA   ARG  72           HA       ARG  72 -15.096   3.721   2.995
  501   1HB   ARG  72           HB2      ARG  72 -16.065   1.633   1.038
  502   2HB   ARG  72           HB3      ARG  72 -16.619   1.765   2.701
  503   1HG   ARG  72           HG2      ARG  72 -17.798   3.701   2.295
  504   2HG   ARG  72           HG3      ARG  72 -16.833   4.105   0.869
  505   1HD   ARG  72           HD2      ARG  72 -18.667   3.313  -0.211
  506   2HD   ARG  72           HD3      ARG  72 -17.824   1.782   0.056
  507    HE   ARG  72           HE       ARG  72 -20.043   2.792   1.733
  508   1HH1  ARG  72          HH12      ARG  72 -18.234   0.151   0.315
  509   2HH1  ARG  72          HH11      ARG  72 -19.248  -1.081   1.000
  510   1HH2  ARG  72          HH22      ARG  72 -21.354   1.186   2.664
  511   2HH2  ARG  72          HH21      ARG  72 -21.009  -0.496   2.373
  512    H    ARG  73           HN       ARG  73 -14.205   0.744   1.242
  513    HA   ARG  73           HA       ARG  73 -13.384  -0.593   3.585
  514   1HB   ARG  73           HB2      ARG  73 -13.111  -2.420   2.279
  515   2HB   ARG  73           HB3      ARG  73 -14.041  -1.452   1.152
  516   1HG   ARG  73           HG2      ARG  73 -11.064  -1.326   1.078
  517   2HG   ARG  73           HG3      ARG  73 -11.905  -2.707   0.366
  518   1HD   ARG  73           HD2      ARG  73 -12.314   0.200  -0.290
  519   2HD   ARG  73           HD3      ARG  73 -11.504  -0.992  -1.310
  520    HE   ARG  73           HE       ARG  73 -14.374  -0.680  -0.885
  521   1HH1  ARG  73          HH12      ARG  73 -11.804  -2.642  -2.227
  522   2HH1  ARG  73          HH11      ARG  73 -12.855  -3.446  -3.357
  523   1HH2  ARG  73          HH22      ARG  73 -15.739  -1.743  -2.364
  524   2HH2  ARG  73          HH21      ARG  73 -15.073  -2.946  -3.430
  525    H    PHE  74           HN       PHE  74 -11.941   1.885   2.058
  526    HA   PHE  74           HA       PHE  74  -9.177   1.323   2.086
  527   1HB   PHE  74           HB2      PHE  74 -10.852   3.612   1.761
  528   2HB   PHE  74           HB3      PHE  74  -9.619   4.015   2.949
  529    HD1  PHE  74           HD1      PHE  74 -10.137   4.947  -0.042
  530    HD2  PHE  74           HD2      PHE  74  -7.401   2.276   1.835
  531    HE1  PHE  74           HE1      PHE  74  -8.507   5.346  -1.842
  532    HE2  PHE  74           HE2      PHE  74  -5.778   2.682   0.036
  533    HZ   PHE  74           HZ       PHE  74  -6.332   4.214  -1.802
  534    H    LYS  75           HN       LYS  75 -11.429   2.254   4.585
  535    HA   LYS  75           HA       LYS  75  -9.777   2.992   6.688
  536   1HB   LYS  75           HB2      LYS  75 -11.650   2.404   8.140
  537   2HB   LYS  75           HB3      LYS  75 -12.221   3.223   6.695
  538   1HG   LYS  75           HG2      LYS  75 -12.975   1.153   5.734
  539   2HG   LYS  75           HG3      LYS  75 -12.250   0.237   7.066
  540   1HD   LYS  75           HD2      LYS  75 -14.387   0.339   7.834
  541   2HD   LYS  75           HD3      LYS  75 -13.785   1.859   8.506
  542   1HE   LYS  75           HE2      LYS  75 -14.607   2.978   6.409
  543   2HE   LYS  75           HE3      LYS  75 -15.387   1.453   5.994
  544   1HZ   LYS  75           HZ1      LYS  75 -17.043   2.655   7.039
  545   2HZ   LYS  75           HZ2      LYS  75 -16.001   3.299   8.203
  546   3HZ   LYS  75           HZ3      LYS  75 -16.462   1.669   8.292
  547    H    TYR  76           HN       TYR  76 -10.304  -0.196   5.389
  548    HA   TYR  76           HA       TYR  76  -9.380  -1.525   7.784
  549   1HB   TYR  76           HB2      TYR  76  -9.900  -2.604   5.010
  550   2HB   TYR  76           HB3      TYR  76  -9.576  -3.575   6.439
  551    HD1  TYR  76           HD1      TYR  76 -12.126  -2.726   4.367
  552    HD2  TYR  76           HD2      TYR  76 -11.202  -2.622   8.523
  553    HE1  TYR  76           HE1      TYR  76 -14.529  -2.773   4.903
  554    HE2  TYR  76           HE2      TYR  76 -13.598  -2.667   9.064
  555    HH   TYR  76           HH       TYR  76 -15.683  -3.232   8.157
  556    H    PHE  77           HN       PHE  77  -7.861   0.135   5.360
  557    HA   PHE  77           HA       PHE  77  -5.447  -1.549   5.442
  558   1HB   PHE  77           HB2      PHE  77  -6.649   0.282   3.462
  559   2HB   PHE  77           HB3      PHE  77  -4.897   0.359   3.601
  560    HD1  PHE  77           HD1      PHE  77  -7.218  -0.834   1.589
  561    HD2  PHE  77           HD2      PHE  77  -4.047  -2.360   3.979
  562    HE1  PHE  77           HE1      PHE  77  -7.034  -2.778   0.094
  563    HE2  PHE  77           HE2      PHE  77  -3.872  -4.309   2.496
  564    HZ   PHE  77           HZ       PHE  77  -5.361  -4.516   0.548
  565    H    LYS  78           HN       LYS  78  -6.771   1.354   6.589
  566    HA   LYS  78           HA       LYS  78  -4.726   3.166   6.660
  567   1HB   LYS  78           HB2      LYS  78  -7.248   3.002   7.750
  568   2HB   LYS  78           HB3      LYS  78  -6.223   3.108   9.173
  569   1HG   LYS  78           HG2      LYS  78  -6.567   5.317   8.796
  570   2HG   LYS  78           HG3      LYS  78  -5.130   5.085   7.800
  571   1HD   LYS  78           HD2      LYS  78  -6.539   6.221   6.347
  572   2HD   LYS  78           HD3      LYS  78  -6.846   4.532   5.921
  573   1HE   LYS  78           HE2      LYS  78  -9.000   5.297   6.113
  574   2HE   LYS  78           HE3      LYS  78  -8.712   4.745   7.758
  575   1HZ   LYS  78           HZ1      LYS  78  -9.399   7.328   6.899
  576   2HZ   LYS  78           HZ2      LYS  78  -7.850   7.401   7.576
  577   3HZ   LYS  78           HZ3      LYS  78  -9.140   6.770   8.481
  578    H    ALA  79           HN       ALA  79  -5.134   0.415   8.875
  579    HA   ALA  79           HA       ALA  79  -3.167   1.249  10.731
  580   1HB   ALA  79           HB1      ALA  79  -4.848  -0.418  11.293
  581   2HB   ALA  79           HB2      ALA  79  -4.127  -1.546  10.145
  582   3HB   ALA  79           HB3      ALA  79  -3.220  -1.033  11.571
  583    H    THR  80           HN       THR  80  -2.965  -0.510   7.708
  584    HA   THR  80           HA       THR  80  -0.180  -1.184   8.147
  585    HB   THR  80           HB       THR  80  -1.620  -1.524   5.526
  586    HG1  THR  80           HG1      THR  80  -2.979  -2.437   7.128
  587   1HG2  THR  80          HG21      THR  80  -0.180  -3.602   5.509
  588   2HG2  THR  80          HG22      THR  80   0.619  -2.960   6.944
  589   3HG2  THR  80          HG23      THR  80   0.696  -2.074   5.421
  590    H    ILE  81           HN       ILE  81  -2.084   0.981   6.064
  591    HA   ILE  81           HA       ILE  81   0.048   2.025   4.553
  592    HB   ILE  81           HB       ILE  81  -2.423   3.563   5.385
  593   1HG1  ILE  81          HG12      ILE  81  -2.103   1.942   2.855
  594   2HG1  ILE  81          HG13      ILE  81  -2.837   1.268   4.310
  595   1HG2  ILE  81          HG21      ILE  81  -1.948   4.460   2.943
  596   2HG2  ILE  81          HG22      ILE  81  -1.129   5.146   4.344
  597   3HG2  ILE  81          HG23      ILE  81  -0.297   3.971   3.323
  598   1HD1  ILE  81          HD11      ILE  81  -4.327   2.323   2.466
  599   2HD1  ILE  81          HD12      ILE  81  -4.680   2.618   4.171
  600   3HD1  ILE  81          HD13      ILE  81  -3.844   3.842   3.221
  601    H    ALA  82           HN       ALA  82  -1.316   3.061   7.656
  602    HA   ALA  82           HA       ALA  82   0.215   5.400   7.979
  603   1HB   ALA  82           HB1      ALA  82  -0.812   5.580   9.954
  604   2HB   ALA  82           HB2      ALA  82  -1.795   4.237   9.375
  605   3HB   ALA  82           HB3      ALA  82  -0.417   3.932  10.438
  606    H    ASP  83           HN       ASP  83   0.847   2.041   8.828
  607    HA   ASP  83           HA       ASP  83   3.226   2.526  10.309
  608   1HB   ASP  83           HB2      ASP  83   1.605   0.348   9.859
  609   2HB   ASP  83           HB3      ASP  83   3.057  -0.080   8.955
  610    H    LEU  84           HN       LEU  84   2.659   1.520   6.937
  611    HA   LEU  84           HA       LEU  84   5.424   1.382   6.291
  612   1HB   LEU  84           HB2      LEU  84   3.063   1.666   4.443
  613   2HB   LEU  84           HB3      LEU  84   4.691   1.212   3.969
  614    HG   LEU  84           HG       LEU  84   3.394  -0.457   6.051
  615   1HD1  LEU  84          HD11      LEU  84   2.737  -1.170   3.266
  616   2HD1  LEU  84          HD12      LEU  84   1.823  -1.421   4.751
  617   3HD1  LEU  84          HD13      LEU  84   1.822   0.162   3.972
  618   1HD2  LEU  84          HD21      LEU  84   5.660  -0.925   5.279
  619   2HD2  LEU  84          HD22      LEU  84   4.568  -2.233   4.825
  620   3HD2  LEU  84          HD23      LEU  84   5.084  -1.052   3.620
  621    H    SER  85           HN       SER  85   3.068   3.974   6.233
  622    HA   SER  85           HA       SER  85   4.637   5.744   4.626
  623   1HB   SER  85           HB2      SER  85   2.132   5.895   5.035
  624   2HB   SER  85           HB3      SER  85   2.526   6.558   6.629
  625    HG   SER  85           HG       SER  85   2.341   7.863   4.372
  626    H    LYS  86           HN       LYS  86   4.473   4.894   7.983
  627    HA   LYS  86           HA       LYS  86   6.087   7.102   8.903
  628   1HB   LYS  86           HB2      LYS  86   4.458   5.098  10.101
  629   2HB   LYS  86           HB3      LYS  86   6.086   4.890  10.735
  630   1HG   LYS  86           HG2      LYS  86   5.924   6.706  12.016
  631   2HG   LYS  86           HG3      LYS  86   5.264   7.675  10.694
  632   1HD   LYS  86           HD2      LYS  86   3.549   7.633  12.289
  633   2HD   LYS  86           HD3      LYS  86   3.073   6.413  11.106
  634   1HE   LYS  86           HE2      LYS  86   2.724   5.585  13.362
  635   2HE   LYS  86           HE3      LYS  86   3.996   4.660  12.558
  636   1HZ   LYS  86           HZ1      LYS  86   5.645   5.701  13.834
  637   2HZ   LYS  86           HZ2      LYS  86   4.405   5.382  14.942
  638   3HZ   LYS  86           HZ3      LYS  86   4.612   6.952  14.332
  639    H    LYS  87           HN       LYS  87   6.527   3.705   8.085
  640    HA   LYS  87           HA       LYS  87   9.276   3.596   8.883
  641   1HB   LYS  87           HB2      LYS  87   7.547   1.759   7.213
  642   2HB   LYS  87           HB3      LYS  87   9.229   1.416   7.599
  643   1HG   LYS  87           HG2      LYS  87   7.507   2.058   9.895
  644   2HG   LYS  87           HG3      LYS  87   7.144   0.550   9.053
  645   1HD   LYS  87           HD2      LYS  87   9.951   0.699   9.303
  646   2HD   LYS  87           HD3      LYS  87   9.275   1.119  10.879
  647   1HE   LYS  87           HE2      LYS  87   8.361  -0.956  11.192
  648   2HE   LYS  87           HE3      LYS  87   8.125  -1.232   9.468
  649   1HZ   LYS  87           HZ1      LYS  87   9.925  -2.500   9.554
  650   2HZ   LYS  87           HZ2      LYS  87  10.277  -2.024  11.140
  651   3HZ   LYS  87           HZ3      LYS  87  10.858  -1.111   9.834
  652    H    ARG  88           HN       ARG  88   7.685   4.858   6.178
  653    HA   ARG  88           HA       ARG  88   9.450   4.298   4.086
  654   1HB   ARG  88           HB2      ARG  88   7.263   5.293   3.695
  655   2HB   ARG  88           HB3      ARG  88   7.722   6.741   4.578
  656   1HG   ARG  88           HG2      ARG  88   9.327   7.315   2.867
  657   2HG   ARG  88           HG3      ARG  88   8.990   5.813   2.004
  658   1HD   ARG  88           HD2      ARG  88   7.754   7.461   0.874
  659   2HD   ARG  88           HD3      ARG  88   6.577   6.618   1.880
  660    HE   ARG  88           HE       ARG  88   7.732   8.979   3.096
  661   1HH1  ARG  88          HH12      ARG  88   5.114   7.694   1.147
  662   2HH1  ARG  88          HH11      ARG  88   4.052   9.031   1.440
  663   1HH2  ARG  88          HH22      ARG  88   6.292  10.722   3.561
  664   2HH2  ARG  88          HH21      ARG  88   4.710  10.750   2.835
  665    H    SER  89           HN       SER  89   9.644   6.625   6.693
  666    HA   SER  89           HA       SER  89  12.035   7.834   5.530
  667   1HB   SER  89           HB2      SER  89  11.229   8.838   8.139
  668   2HB   SER  89           HB3      SER  89  11.407   9.701   6.610
  669    HG   SER  89           HG       SER  89   9.174   9.234   7.779
  670    H    SER  90           HN       SER  90  11.587   5.104   7.054
  671    HA   SER  90           HA       SER  90  13.873   5.428   8.886
  672   1HB   SER  90           HB2      SER  90  12.058   3.065   9.089
  673   2HB   SER  90           HB3      SER  90  12.936   3.931  10.360
  674    HG   SER  90           HG       SER  90  11.449   5.684  10.023
  675    H    GLU  91           HN       GLU  91  12.363   3.270   6.517
  676    HA   GLU  91           HA       GLU  91  15.024   2.093   6.057
  677   1HB   GLU  91           HB2      GLU  91  12.321   0.750   6.034
  678   2HB   GLU  91           HB3      GLU  91  13.766   0.013   5.354
  679   1HG   GLU  91           HG2      GLU  91  14.708  -0.359   7.387
  680   2HG   GLU  91           HG3      GLU  91  13.877   0.989   8.155
  Start of MODEL    2
    1    H    GLU  11           HN       GLU  11  19.582   3.388  -3.686
    2    HA   GLU  11           HA       GLU  11  17.402   2.665  -5.404
    3   1HB   GLU  11           HB2      GLU  11  19.301   1.163  -5.154
    4   2HB   GLU  11           HB3      GLU  11  18.989   1.012  -3.429
    5   1HG   GLU  11           HG2      GLU  11  17.515  -0.621  -3.765
    6   2HG   GLU  11           HG3      GLU  11  16.646   0.321  -4.976
    7    H    LEU  12           HN       LEU  12  17.821   1.625  -2.042
    8    HA   LEU  12           HA       LEU  12  16.292   1.150  -0.447
    9   1HB   LEU  12           HB2      LEU  12  15.089   3.810  -0.761
   10   2HB   LEU  12           HB3      LEU  12  15.767   3.039   0.659
   11    HG   LEU  12           HG       LEU  12  17.630   3.866  -1.488
   12   1HD1  LEU  12          HD11      LEU  12  17.148   5.967   0.477
   13   2HD1  LEU  12          HD12      LEU  12  17.348   6.081  -1.270
   14   3HD1  LEU  12          HD13      LEU  12  15.773   5.687  -0.590
   15   1HD2  LEU  12          HD21      LEU  12  19.156   4.087   0.277
   16   2HD2  LEU  12          HD22      LEU  12  17.870   4.168   1.484
   17   3HD2  LEU  12          HD23      LEU  12  18.211   2.648   0.660
   18    H    ASN  13           HN       ASN  13  15.267  -0.124  -2.481
   19    HA   ASN  13           HA       ASN  13  12.620   0.787  -3.187
   20   1HB   ASN  13           HB2      ASN  13  12.513  -1.306  -4.495
   21   2HB   ASN  13           HB3      ASN  13  13.964  -0.372  -4.841
   22   1HD2  ASN  13          HD21      ASN  13  13.287  -3.224  -5.129
   23   2HD2  ASN  13          HD22      ASN  13  14.551  -4.077  -4.324
   24    H    ASN  14           HN       ASN  14  12.461   0.748  -0.575
   25    HA   ASN  14           HA       ASN  14  11.604  -1.805   0.448
   26   1HB   ASN  14           HB2      ASN  14  11.951  -0.846   2.435
   27   2HB   ASN  14           HB3      ASN  14  12.435   0.615   1.602
   28   1HD2  ASN  14          HD21      ASN  14  10.020  -0.967   3.449
   29   2HD2  ASN  14          HD22      ASN  14   8.944   0.383   3.629
   30    H    LEU  15           HN       LEU  15  10.278   0.577  -1.459
   31    HA   LEU  15           HA       LEU  15   7.592   0.726  -0.732
   32   1HB   LEU  15           HB2      LEU  15   9.126   1.749  -2.723
   33   2HB   LEU  15           HB3      LEU  15   8.171   0.587  -3.620
   34    HG   LEU  15           HG       LEU  15   6.533   2.182  -1.838
   35   1HD1  LEU  15          HD11      LEU  15   7.551   3.784  -4.112
   36   2HD1  LEU  15          HD12      LEU  15   6.920   4.302  -2.549
   37   3HD1  LEU  15          HD13      LEU  15   8.566   3.682  -2.674
   38   1HD2  LEU  15          HD21      LEU  15   5.739   2.655  -4.415
   39   2HD2  LEU  15          HD22      LEU  15   6.508   1.072  -4.529
   40   3HD2  LEU  15          HD23      LEU  15   5.184   1.328  -3.395
   41    H    ARG  16           HN       ARG  16   9.367  -1.836  -2.336
   42    HA   ARG  16           HA       ARG  16   7.167  -3.242  -3.404
   43   1HB   ARG  16           HB2      ARG  16   9.589  -3.681  -3.962
   44   2HB   ARG  16           HB3      ARG  16   9.741  -4.462  -2.396
   45   1HG   ARG  16           HG2      ARG  16   8.237  -6.179  -2.991
   46   2HG   ARG  16           HG3      ARG  16   7.724  -5.313  -4.436
   47   1HD   ARG  16           HD2      ARG  16   9.205  -6.622  -5.499
   48   2HD   ARG  16           HD3      ARG  16  10.400  -5.503  -4.852
   49    HE   ARG  16           HE       ARG  16  11.099  -7.114  -3.344
   50   1HH1  ARG  16          HH12      ARG  16   8.229  -8.182  -5.039
   51   2HH1  ARG  16          HH11      ARG  16   8.333  -9.819  -4.463
   52   1HH2  ARG  16          HH22      ARG  16  11.260  -9.291  -2.576
   53   2HH2  ARG  16          HH21      ARG  16  10.064 -10.449  -3.067
   54    H    MET  17           HN       MET  17   8.736  -3.242  -0.270
   55    HA   MET  17           HA       MET  17   7.330  -5.417   0.871
   56   1HB   MET  17           HB2      MET  17   9.353  -3.689   1.692
   57   2HB   MET  17           HB3      MET  17   8.013  -3.294   2.759
   58   1HG   MET  17           HG2      MET  17   8.605  -6.164   2.396
   59   2HG   MET  17           HG3      MET  17   9.793  -5.206   3.279
   60   1HE   MET  17           HE1      MET  17   5.756  -6.669   4.442
   61   2HE   MET  17           HE2      MET  17   6.811  -7.061   3.087
   62   3HE   MET  17           HE3      MET  17   7.196  -7.657   4.700
   63    H    THR  18           HN       THR  18   6.666  -2.004   0.519
   64    HA   THR  18           HA       THR  18   4.395  -1.856   2.220
   65    HB   THR  18           HB       THR  18   4.796  -0.128  -0.214
   66    HG1  THR  18           HG1      THR  18   6.412  -0.289   2.092
   67   1HG2  THR  18          HG21      THR  18   4.106   1.629   1.535
   68   2HG2  THR  18          HG22      THR  18   3.609   0.247   2.514
   69   3HG2  THR  18          HG23      THR  18   2.870   0.520   0.936
   70    H    TYR  19           HN       TYR  19   4.779  -2.235  -1.292
   71    HA   TYR  19           HA       TYR  19   2.015  -2.467  -1.859
   72   1HB   TYR  19           HB2      TYR  19   3.521  -1.793  -3.602
   73   2HB   TYR  19           HB3      TYR  19   4.475  -3.256  -3.428
   74    HD1  TYR  19           HD1      TYR  19   1.077  -2.071  -4.379
   75    HD2  TYR  19           HD2      TYR  19   4.029  -5.106  -4.781
   76    HE1  TYR  19           HE1      TYR  19  -0.267  -3.140  -6.139
   77    HE2  TYR  19           HE2      TYR  19   2.693  -6.182  -6.541
   78    HH   TYR  19           HH       TYR  19   0.376  -6.283  -7.314
   79    H    GLU  20           HN       GLU  20   4.551  -4.844  -1.232
   80    HA   GLU  20           HA       GLU  20   3.003  -7.134  -1.863
   81   1HB   GLU  20           HB2      GLU  20   5.541  -6.622  -0.379
   82   2HB   GLU  20           HB3      GLU  20   4.773  -8.189  -0.196
   83   1HG   GLU  20           HG2      GLU  20   5.624  -6.929  -2.794
   84   2HG   GLU  20           HG3      GLU  20   6.481  -8.207  -1.938
   85    H    ARG  21           HN       ARG  21   3.491  -5.267   1.088
   86    HA   ARG  21           HA       ARG  21   2.153  -7.093   2.818
   87   1HB   ARG  21           HB2      ARG  21   3.719  -5.140   3.459
   88   2HB   ARG  21           HB3      ARG  21   2.305  -4.113   3.274
   89   1HG   ARG  21           HG2      ARG  21   1.770  -4.570   5.374
   90   2HG   ARG  21           HG3      ARG  21   1.499  -6.251   4.907
   91   1HD   ARG  21           HD2      ARG  21   3.101  -6.678   6.416
   92   2HD   ARG  21           HD3      ARG  21   4.194  -6.193   5.122
   93    HE   ARG  21           HE       ARG  21   3.520  -3.880   6.456
   94   1HH1  ARG  21          HH12      ARG  21   5.070  -6.913   7.254
   95   2HH1  ARG  21          HH11      ARG  21   6.007  -6.238   8.553
   96   1HH2  ARG  21          HH22      ARG  21   4.748  -2.982   8.140
   97   2HH2  ARG  21          HH21      ARG  21   5.838  -3.989   9.046
   98    H    LEU  22           HN       LEU  22   1.177  -4.537   0.703
   99    HA   LEU  22           HA       LEU  22  -1.528  -4.326   1.640
  100   1HB   LEU  22           HB2      LEU  22   0.049  -3.312  -0.672
  101   2HB   LEU  22           HB3      LEU  22  -1.692  -3.281  -0.789
  102    HG   LEU  22           HG       LEU  22  -0.342  -2.038   1.579
  103   1HD1  LEU  22          HD11      LEU  22   0.845  -1.100  -0.306
  104   2HD1  LEU  22          HD12      LEU  22  -0.674  -0.787  -1.147
  105   3HD1  LEU  22          HD13      LEU  22  -0.288   0.093   0.330
  106   1HD2  LEU  22          HD21      LEU  22  -2.465  -1.546   2.027
  107   2HD2  LEU  22          HD22      LEU  22  -2.518  -0.574   0.556
  108   3HD2  LEU  22          HD23      LEU  22  -2.989  -2.275   0.505
  109    H    ARG  23           HN       ARG  23   0.170  -6.069  -0.904
  110    HA   ARG  23           HA       ARG  23  -2.144  -7.092  -2.198
  111   1HB   ARG  23           HB2      ARG  23   0.437  -6.952  -2.893
  112   2HB   ARG  23           HB3      ARG  23   0.423  -8.604  -2.290
  113   1HG   ARG  23           HG2      ARG  23   0.018  -8.843  -4.557
  114   2HG   ARG  23           HG3      ARG  23  -1.590  -8.938  -3.843
  115   1HD   ARG  23           HD2      ARG  23  -2.170  -6.802  -4.560
  116   2HD   ARG  23           HD3      ARG  23  -0.491  -6.323  -4.802
  117    HE   ARG  23           HE       ARG  23  -0.554  -7.240  -6.903
  118   1HH1  ARG  23          HH12      ARG  23  -3.369  -8.279  -5.108
  119   2HH1  ARG  23          HH11      ARG  23  -4.160  -9.001  -6.470
  120   1HH2  ARG  23          HH22      ARG  23  -1.601  -8.176  -8.742
  121   2HH2  ARG  23          HH21      ARG  23  -3.148  -8.947  -8.540
  122    H    GLU  24           HN       GLU  24  -0.101  -8.190   0.422
  123    HA   GLU  24           HA       GLU  24  -1.291 -10.796   0.600
  124   1HB   GLU  24           HB2      GLU  24   1.036 -10.184   1.386
  125   2HB   GLU  24           HB3      GLU  24   0.288  -9.339   2.726
  126   1HG   GLU  24           HG2      GLU  24  -0.752 -11.996   2.535
  127   2HG   GLU  24           HG3      GLU  24   1.007 -12.004   2.595
  128    H    LEU  25           HN       LEU  25  -1.726  -7.683   2.172
  129    HA   LEU  25           HA       LEU  25  -3.581  -8.612   4.131
  130   1HB   LEU  25           HB2      LEU  25  -2.152  -6.294   3.713
  131   2HB   LEU  25           HB3      LEU  25  -3.775  -5.797   3.303
  132    HG   LEU  25           HG       LEU  25  -2.568  -6.247   5.903
  133   1HD1  LEU  25          HD11      LEU  25  -4.390  -4.495   4.575
  134   2HD1  LEU  25          HD12      LEU  25  -5.065  -5.023   6.115
  135   3HD1  LEU  25          HD13      LEU  25  -3.481  -4.252   6.071
  136   1HD2  LEU  25          HD21      LEU  25  -3.764  -8.027   6.555
  137   2HD2  LEU  25          HD22      LEU  25  -5.157  -6.943   6.556
  138   3HD2  LEU  25          HD23      LEU  25  -4.815  -7.950   5.145
  139    H    SER  26           HN       SER  26  -3.809  -7.300   0.871
  140    HA   SER  26           HA       SER  26  -6.602  -6.859   0.822
  141   1HB   SER  26           HB2      SER  26  -5.090  -5.833  -0.803
  142   2HB   SER  26           HB3      SER  26  -4.633  -7.419  -1.416
  143    HG   SER  26           HG       SER  26  -6.167  -6.986  -2.796
  144    H    LEU  27           HN       LEU  27  -4.611  -9.665  -0.044
  145    HA   LEU  27           HA       LEU  27  -6.846 -11.163  -1.012
  146   1HB   LEU  27           HB2      LEU  27  -3.969 -11.533  -0.767
  147   2HB   LEU  27           HB3      LEU  27  -4.881 -13.004  -0.491
  148    HG   LEU  27           HG       LEU  27  -6.089 -12.456  -2.701
  149   1HD1  LEU  27          HD11      LEU  27  -4.837 -10.124  -2.634
  150   2HD1  LEU  27          HD12      LEU  27  -3.599 -11.050  -3.489
  151   3HD1  LEU  27          HD13      LEU  27  -5.233 -10.932  -4.147
  152   1HD2  LEU  27          HD21      LEU  27  -4.810 -14.046  -3.582
  153   2HD2  LEU  27          HD22      LEU  27  -3.352 -13.065  -3.456
  154   3HD2  LEU  27          HD23      LEU  27  -3.906 -13.999  -2.067
  155    H    ASN  28           HN       ASN  28  -5.213 -10.813   2.029
  156    HA   ASN  28           HA       ASN  28  -6.430 -13.114   3.226
  157   1HB   ASN  28           HB2      ASN  28  -4.607 -10.970   4.100
  158   2HB   ASN  28           HB3      ASN  28  -5.676 -11.601   5.349
  159   1HD2  ASN  28          HD21      ASN  28  -2.696 -11.879   4.296
  160   2HD2  ASN  28          HD22      ASN  28  -2.386 -13.561   4.600
  161    H    LEU  29           HN       LEU  29  -6.895  -9.579   3.632
  162    HA   LEU  29           HA       LEU  29  -9.148  -9.776   5.311
  163   1HB   LEU  29           HB2      LEU  29  -8.178  -7.621   3.455
  164   2HB   LEU  29           HB3      LEU  29  -9.683  -7.453   4.337
  165    HG   LEU  29           HG       LEU  29  -7.104  -8.005   5.775
  166   1HD1  LEU  29          HD11      LEU  29  -7.225  -5.911   4.166
  167   2HD1  LEU  29          HD12      LEU  29  -8.146  -5.239   5.508
  168   3HD1  LEU  29          HD13      LEU  29  -6.494  -5.809   5.771
  169   1HD2  LEU  29          HD21      LEU  29  -8.233  -7.402   7.668
  170   2HD2  LEU  29          HD22      LEU  29  -9.362  -6.364   6.796
  171   3HD2  LEU  29          HD23      LEU  29  -9.549  -8.115   6.731
  172    H    GLY  30           HN       GLY  30  -8.810  -9.613   1.809
  173   1HA   GLY  30           HA1      GLY  30 -11.518  -9.325   1.180
  174   2HA   GLY  30           HA2      GLY  30 -10.303 -10.009   0.119
  175    H    ASN  31           HN       ASN  31  -9.705 -12.188   2.092
  176    HA   ASN  31           HA       ASN  31 -11.975 -13.879   1.345
  177   1HB   ASN  31           HB2      ASN  31  -9.287 -14.349   1.188
  178   2HB   ASN  31           HB3      ASN  31  -9.700 -15.168   2.689
  179   1HD2  ASN  31          HD21      ASN  31  -8.866 -16.876   1.075
  180   2HD2  ASN  31          HD22      ASN  31 -10.099 -17.734   0.216
  181    H    ARG  32           HN       ARG  32 -10.775 -12.199   4.004
  182    HA   ARG  32           HA       ARG  32 -11.969 -13.976   6.001
  183   1HB   ARG  32           HB2      ARG  32  -9.738 -12.861   6.325
  184   2HB   ARG  32           HB3      ARG  32 -10.587 -11.329   6.419
  185   1HG   ARG  32           HG2      ARG  32 -11.936 -12.559   8.298
  186   2HG   ARG  32           HG3      ARG  32 -10.498 -13.577   8.363
  187   1HD   ARG  32           HD2      ARG  32 -10.622 -10.582   8.715
  188   2HD   ARG  32           HD3      ARG  32 -10.302 -11.787   9.961
  189    HE   ARG  32           HE       ARG  32  -8.336 -12.236   8.139
  190   1HH1  ARG  32          HH12      ARG  32  -9.460  -9.413   9.880
  191   2HH1  ARG  32          HH11      ARG  32  -7.900  -8.642   9.913
  192   1HH2  ARG  32          HH22      ARG  32  -6.247 -11.260   8.239
  193   2HH2  ARG  32          HH21      ARG  32  -6.072  -9.700   8.991
  194    H    MET  33           HN       MET  33 -12.917 -11.551   3.980
  195    HA   MET  33           HA       MET  33 -14.842 -10.327   5.795
  196   1HB   MET  33           HB2      MET  33 -13.636  -9.647   3.185
  197   2HB   MET  33           HB3      MET  33 -15.329  -9.211   3.350
  198   1HG   MET  33           HG2      MET  33 -14.700  -8.043   5.486
  199   2HG   MET  33           HG3      MET  33 -13.016  -8.299   5.035
  200   1HE   MET  33           HE1      MET  33 -16.369  -6.801   4.235
  201   2HE   MET  33           HE2      MET  33 -16.060  -5.531   3.047
  202   3HE   MET  33           HE3      MET  33 -16.111  -7.218   2.540
  203    H    VAL  34           HN       VAL  34 -17.114 -10.282   5.272
  204    HA   VAL  34           HA       VAL  34 -17.942 -12.560   3.581
  205    HB   VAL  34           HB       VAL  34 -19.319 -11.586   6.097
  206   1HG1  VAL  34          HG11      VAL  34 -19.860 -13.997   4.376
  207   2HG1  VAL  34          HG12      VAL  34 -20.734 -13.542   5.838
  208   3HG1  VAL  34          HG13      VAL  34 -20.822 -12.520   4.402
  209   1HG2  VAL  34          HG21      VAL  34 -17.837 -12.803   7.218
  210   2HG2  VAL  34          HG22      VAL  34 -18.534 -14.228   6.445
  211   3HG2  VAL  34          HG23      VAL  34 -17.133 -13.432   5.729
  212    HA   PRO  35           HA       PRO  35 -18.790 -13.050   2.129
  213   1HB   PRO  35           HB2      PRO  35 -19.307 -12.442  -0.563
  214   2HB   PRO  35           HB3      PRO  35 -20.358 -13.331   0.539
  215   1HG   PRO  35           HG2      PRO  35 -20.854 -10.795  -0.580
  216   2HG   PRO  35           HG3      PRO  35 -21.768 -11.581   0.715
  217   1HD   PRO  35           HD2      PRO  35 -19.685  -9.475   0.869
  218   2HD   PRO  35           HD3      PRO  35 -21.065  -9.788   1.942
  219    HA   PRO  36           HA       PRO  36 -14.607 -12.405   0.917
  220   1HB   PRO  36           HB2      PRO  36 -15.228 -14.317  -1.307
  221   2HB   PRO  36           HB3      PRO  36 -13.850 -14.307  -0.194
  222   1HG   PRO  36           HG2      PRO  36 -15.832 -16.004   0.221
  223   2HG   PRO  36           HG3      PRO  36 -15.115 -15.136   1.586
  224   1HD   PRO  36           HD2      PRO  36 -17.737 -14.664   0.220
  225   2HD   PRO  36           HD3      PRO  36 -17.306 -14.487   1.934
  226    H    VAL  37           HN       VAL  37 -14.046 -10.598   0.019
  227    HA   VAL  37           HA       VAL  37 -15.356  -9.380  -2.189
  228    HB   VAL  37           HB       VAL  37 -12.637  -8.539  -1.245
  229   1HG1  VAL  37          HG11      VAL  37 -14.415  -6.391  -1.428
  230   2HG1  VAL  37          HG12      VAL  37 -13.079  -6.789  -2.505
  231   3HG1  VAL  37          HG13      VAL  37 -14.699  -7.397  -2.849
  232   1HG2  VAL  37          HG21      VAL  37 -14.038  -7.129   0.452
  233   2HG2  VAL  37          HG22      VAL  37 -15.164  -8.478   0.326
  234   3HG2  VAL  37          HG23      VAL  37 -13.504  -8.762   0.861
  235    H    GLY  38           HN       GLY  38 -12.386 -11.223  -1.839
  236   1HA   GLY  38           HA1      GLY  38 -11.216 -12.323  -3.524
  237   2HA   GLY  38           HA2      GLY  38 -12.247 -11.532  -4.711
  238    H    ASN  39           HN       ASN  39 -11.935  -9.100  -4.805
  239    HA   ASN  39           HA       ASN  39  -9.048  -8.508  -4.699
  240   1HB   ASN  39           HB2      ASN  39 -10.262  -8.554  -6.991
  241   2HB   ASN  39           HB3      ASN  39 -11.019  -7.049  -6.474
  242   1HD2  ASN  39          HD21      ASN  39  -9.974  -6.022  -8.252
  243   2HD2  ASN  39          HD22      ASN  39  -8.293  -5.603  -8.165
  244    H    PHE  40           HN       PHE  40  -9.303  -7.901  -2.521
  245    HA   PHE  40           HA       PHE  40 -11.114  -6.084  -1.467
  246   1HB   PHE  40           HB2      PHE  40  -9.664  -7.544  -0.166
  247   2HB   PHE  40           HB3      PHE  40  -8.253  -6.638  -0.680
  248    HD1  PHE  40           HD1      PHE  40  -7.337  -5.444   0.987
  249    HD2  PHE  40           HD2      PHE  40 -11.575  -5.754   0.807
  250    HE1  PHE  40           HE1      PHE  40  -7.504  -4.046   2.991
  251    HE2  PHE  40           HE2      PHE  40 -11.763  -4.341   2.813
  252    HZ   PHE  40           HZ       PHE  40  -9.732  -3.482   3.908
  253    H    MET  41           HN       MET  41  -7.856  -5.484  -2.755
  254    HA   MET  41           HA       MET  41  -8.663  -2.733  -3.339
  255   1HB   MET  41           HB2      MET  41  -7.174  -3.035  -1.209
  256   2HB   MET  41           HB3      MET  41  -5.885  -3.284  -2.380
  257   1HG   MET  41           HG2      MET  41  -6.161  -0.940  -1.531
  258   2HG   MET  41           HG3      MET  41  -6.146  -1.134  -3.283
  259   1HE   MET  41           HE1      MET  41  -8.233   1.486  -1.156
  260   2HE   MET  41           HE2      MET  41  -9.208   0.220  -0.409
  261   3HE   MET  41           HE3      MET  41  -7.446   0.129  -0.352
  262    HA   PRO  42           HA       PRO  42  -7.281  -4.149  -7.336
  263   1HB   PRO  42           HB2      PRO  42  -7.186  -1.220  -7.840
  264   2HB   PRO  42           HB3      PRO  42  -8.010  -2.486  -8.753
  265   1HG   PRO  42           HG2      PRO  42  -9.385  -0.822  -7.206
  266   2HG   PRO  42           HG3      PRO  42  -9.818  -2.540  -7.296
  267   1HD   PRO  42           HD2      PRO  42  -8.361  -1.064  -5.154
  268   2HD   PRO  42           HD3      PRO  42  -9.554  -2.370  -5.008
  269    H    ASP  43           HN       ASP  43  -5.363  -4.361  -8.353
  270    HA   ASP  43           HA       ASP  43  -2.982  -3.902  -7.033
  271   1HB   ASP  43           HB2      ASP  43  -2.649  -5.472  -8.628
  272   2HB   ASP  43           HB3      ASP  43  -3.793  -4.733  -9.738
  273    H    SER  44           HN       SER  44  -4.547  -1.882  -9.463
  274    HA   SER  44           HA       SER  44  -2.437  -0.074  -9.861
  275   1HB   SER  44           HB2      SER  44  -4.925   1.277 -10.139
  276   2HB   SER  44           HB3      SER  44  -3.885   0.625 -11.410
  277    HG   SER  44           HG       SER  44  -4.977  -1.302 -11.331
  278    H    ILE  45           HN       ILE  45  -5.103  -0.113  -7.539
  279    HA   ILE  45           HA       ILE  45  -4.519   2.449  -6.436
  280    HB   ILE  45           HB       ILE  45  -6.085   0.175  -5.202
  281   1HG1  ILE  45          HG12      ILE  45  -6.854   1.092  -7.468
  282   2HG1  ILE  45          HG13      ILE  45  -8.041   1.080  -6.166
  283   1HG2  ILE  45          HG21      ILE  45  -5.642   3.014  -4.395
  284   2HG2  ILE  45          HG22      ILE  45  -7.210   2.274  -4.077
  285   3HG2  ILE  45          HG23      ILE  45  -5.744   1.566  -3.395
  286   1HD1  ILE  45          HD11      ILE  45  -7.959   3.164  -7.594
  287   2HD1  ILE  45          HD12      ILE  45  -7.866   3.404  -5.849
  288   3HD1  ILE  45          HD13      ILE  45  -6.407   3.514  -6.830
  289    H    LEU  46           HN       LEU  46  -3.601  -0.860  -5.665
  290    HA   LEU  46           HA       LEU  46  -2.436  -0.337  -3.154
  291   1HB   LEU  46           HB2      LEU  46  -1.766  -2.454  -5.203
  292   2HB   LEU  46           HB3      LEU  46  -1.163  -2.439  -3.555
  293    HG   LEU  46           HG       LEU  46  -4.095  -2.551  -4.240
  294   1HD1  LEU  46          HD11      LEU  46  -3.639  -4.998  -3.353
  295   2HD1  LEU  46          HD12      LEU  46  -3.489  -4.584  -5.061
  296   3HD1  LEU  46          HD13      LEU  46  -2.048  -4.692  -4.045
  297   1HD2  LEU  46          HD21      LEU  46  -2.551  -2.337  -1.786
  298   2HD2  LEU  46          HD22      LEU  46  -4.275  -2.094  -2.065
  299   3HD2  LEU  46          HD23      LEU  46  -3.646  -3.718  -1.782
  300    H    LYS  47           HN       LYS  47  -1.132  -0.246  -6.448
  301    HA   LYS  47           HA       LYS  47   1.566   0.154  -5.759
  302   1HB   LYS  47           HB2      LYS  47  -0.108   0.618  -8.191
  303   2HB   LYS  47           HB3      LYS  47   1.522   1.288  -8.139
  304   1HG   LYS  47           HG2      LYS  47   2.454  -0.907  -7.764
  305   2HG   LYS  47           HG3      LYS  47   0.837  -1.612  -7.697
  306   1HD   LYS  47           HD2      LYS  47   0.460  -0.954 -10.029
  307   2HD   LYS  47           HD3      LYS  47   2.082  -0.257 -10.089
  308   1HE   LYS  47           HE2      LYS  47   3.027  -2.242 -10.419
  309   2HE   LYS  47           HE3      LYS  47   2.086  -3.000  -9.137
  310   1HZ   LYS  47           HZ1      LYS  47   0.235  -3.234 -10.669
  311   2HZ   LYS  47           HZ2      LYS  47   1.610  -4.008 -11.279
  312   3HZ   LYS  47           HZ3      LYS  47   1.135  -2.500 -11.912
  313    H    LYS  48           HN       LYS  48  -0.991   2.499  -6.579
  314    HA   LYS  48           HA       LYS  48   0.735   4.734  -6.210
  315   1HB   LYS  48           HB2      LYS  48  -1.497   6.013  -6.124
  316   2HB   LYS  48           HB3      LYS  48  -1.057   5.199  -7.619
  317   1HG   LYS  48           HG2      LYS  48  -2.524   3.330  -7.024
  318   2HG   LYS  48           HG3      LYS  48  -2.954   4.156  -5.528
  319   1HD   LYS  48           HD2      LYS  48  -4.725   4.732  -6.887
  320   2HD   LYS  48           HD3      LYS  48  -3.647   6.103  -7.104
  321   1HE   LYS  48           HE2      LYS  48  -2.845   5.189  -9.199
  322   2HE   LYS  48           HE3      LYS  48  -3.801   3.731  -8.967
  323   1HZ   LYS  48           HZ1      LYS  48  -4.581   6.238 -10.074
  324   2HZ   LYS  48           HZ2      LYS  48  -5.596   5.815  -8.785
  325   3HZ   LYS  48           HZ3      LYS  48  -5.399   4.754 -10.096
  326    H    MET  49           HN       MET  49  -1.646   3.137  -4.121
  327    HA   MET  49           HA       MET  49  -1.487   5.079  -2.066
  328   1HB   MET  49           HB2      MET  49  -3.044   3.863  -1.003
  329   2HB   MET  49           HB3      MET  49  -3.154   2.990  -2.524
  330   1HG   MET  49           HG2      MET  49  -2.328   1.115  -1.640
  331   2HG   MET  49           HG3      MET  49  -1.090   1.980  -0.727
  332   1HE   MET  49           HE1      MET  49  -5.425   1.278   0.500
  333   2HE   MET  49           HE2      MET  49  -4.706   1.195  -1.115
  334   3HE   MET  49           HE3      MET  49  -4.473  -0.129   0.022
  335    H    ALA  50           HN       ALA  50   0.497   2.323  -2.870
  336    HA   ALA  50           HA       ALA  50   1.831   2.324  -0.303
  337   1HB   ALA  50           HB1      ALA  50   1.665   0.546  -2.514
  338   2HB   ALA  50           HB2      ALA  50   3.366   0.935  -2.248
  339   3HB   ALA  50           HB3      ALA  50   2.397   0.273  -0.934
  340    H    ALA  51           HN       ALA  51   2.360   3.614  -3.511
  341    HA   ALA  51           HA       ALA  51   5.090   4.359  -3.041
  342   1HB   ALA  51           HB1      ALA  51   3.218   5.357  -5.189
  343   2HB   ALA  51           HB2      ALA  51   4.980   5.450  -5.196
  344   3HB   ALA  51           HB3      ALA  51   4.178   3.882  -5.296
  345    H    ILE  52           HN       ILE  52   1.985   5.980  -2.865
  346    HA   ILE  52           HA       ILE  52   3.261   8.508  -2.169
  347    HB   ILE  52           HB       ILE  52   0.464   7.696  -2.855
  348   1HG1  ILE  52          HG12      ILE  52   1.045   9.927  -4.306
  349   2HG1  ILE  52          HG13      ILE  52   2.655   9.238  -4.103
  350   1HG2  ILE  52          HG21      ILE  52   1.214  10.411  -1.810
  351   2HG2  ILE  52          HG22      ILE  52  -0.380   9.883  -2.348
  352   3HG2  ILE  52          HG23      ILE  52   0.342   9.183  -0.895
  353   1HD1  ILE  52          HD11      ILE  52   1.398   8.573  -6.179
  354   2HD1  ILE  52          HD12      ILE  52   2.038   7.249  -5.203
  355   3HD1  ILE  52          HD13      ILE  52   0.327   7.646  -5.124
  356    H    LEU  53           HN       LEU  53   1.267   5.973  -0.767
  357    HA   LEU  53           HA       LEU  53   0.501   5.559   1.325
  358   1HB   LEU  53           HB2      LEU  53   3.234   6.685   1.757
  359   2HB   LEU  53           HB3      LEU  53   2.233   6.329   3.145
  360    HG   LEU  53           HG       LEU  53   3.011   4.351   1.013
  361   1HD1  LEU  53          HD11      LEU  53   3.952   3.750   3.654
  362   2HD1  LEU  53          HD12      LEU  53   4.860   3.916   2.153
  363   3HD1  LEU  53          HD13      LEU  53   4.527   5.336   3.149
  364   1HD2  LEU  53          HD21      LEU  53   0.783   4.179   2.441
  365   2HD2  LEU  53          HD22      LEU  53   1.766   2.766   2.057
  366   3HD2  LEU  53          HD23      LEU  53   1.907   3.533   3.638
  367    HA   PRO  54           HA       PRO  54  -1.058   9.805   2.113
  368   1HB   PRO  54           HB2      PRO  54  -3.576   9.311   1.039
  369   2HB   PRO  54           HB3      PRO  54  -2.228  10.066   0.190
  370   1HG   PRO  54           HG2      PRO  54  -3.416   7.535  -0.345
  371   2HG   PRO  54           HG3      PRO  54  -1.993   8.241  -1.128
  372   1HD   PRO  54           HD2      PRO  54  -2.164   6.237   1.047
  373   2HD   PRO  54           HD3      PRO  54  -0.887   6.491  -0.162
  374    H    MET  55           HN       MET  55  -1.310   9.736   4.315
  375    HA   MET  55           HA       MET  55  -3.445   8.034   5.398
  376   1HB   MET  55           HB2      MET  55  -0.971   9.261   6.496
  377   2HB   MET  55           HB3      MET  55  -2.332   9.066   7.593
  378   1HG   MET  55           HG2      MET  55  -1.213   6.844   5.920
  379   2HG   MET  55           HG3      MET  55  -0.678   7.199   7.554
  380   1HE   MET  55           HE1      MET  55  -3.408   8.163   8.864
  381   2HE   MET  55           HE2      MET  55  -4.059   6.673   9.548
  382   3HE   MET  55           HE3      MET  55  -2.343   7.038   9.708
  383    H    ASN  56           HN       ASN  56  -3.998  10.470   3.895
  384    HA   ASN  56           HA       ASN  56  -5.808  11.679   5.785
  385   1HB   ASN  56           HB2      ASN  56  -4.500  13.438   6.319
  386   2HB   ASN  56           HB3      ASN  56  -3.283  12.969   5.145
  387   1HD2  ASN  56          HD21      ASN  56  -6.025  15.002   5.784
  388   2HD2  ASN  56          HD22      ASN  56  -5.865  15.999   4.374
  389    H    ASP  57           HN       ASP  57  -7.535  12.710   4.767
  390    HA   ASP  57           HA       ASP  57  -8.375  11.675   2.357
  391   1HB   ASP  57           HB2      ASP  57  -9.840  12.657   4.069
  392   2HB   ASP  57           HB3      ASP  57  -9.299  14.264   3.591
  393    H    SER  58           HN       SER  58  -6.917  14.888   2.880
  394    HA   SER  58           HA       SER  58  -7.281  15.797   0.247
  395   1HB   SER  58           HB2      SER  58  -4.876  16.733   1.685
  396   2HB   SER  58           HB3      SER  58  -6.190  17.655   0.950
  397    HG   SER  58           HG       SER  58  -7.505  17.042   2.741
  398    H    ALA  59           HN       ALA  59  -4.783  13.823   1.698
  399    HA   ALA  59           HA       ALA  59  -3.037  13.945  -0.581
  400   1HB   ALA  59           HB1      ALA  59  -2.651  13.305   2.023
  401   2HB   ALA  59           HB2      ALA  59  -2.697  11.705   1.288
  402   3HB   ALA  59           HB3      ALA  59  -1.530  12.906   0.724
  403    H    PHE  60           HN       PHE  60  -5.630  11.881   0.522
  404    HA   PHE  60           HA       PHE  60  -5.128   9.608  -1.043
  405   1HB   PHE  60           HB2      PHE  60  -7.433  10.689   0.423
  406   2HB   PHE  60           HB3      PHE  60  -7.868   9.704  -0.968
  407    HD1  PHE  60           HD1      PHE  60  -8.393   9.048   1.936
  408    HD2  PHE  60           HD2      PHE  60  -5.187   8.015  -0.658
  409    HE1  PHE  60           HE1      PHE  60  -7.973   7.035   3.268
  410    HE2  PHE  60           HE2      PHE  60  -4.765   5.988   0.678
  411    HZ   PHE  60           HZ       PHE  60  -6.131   5.437   2.527
  412    H    ALA  61           HN       ALA  61  -6.334  12.705  -1.934
  413    HA   ALA  61           HA       ALA  61  -7.736  12.093  -4.275
  414   1HB   ALA  61           HB1      ALA  61  -6.235  14.567  -4.474
  415   2HB   ALA  61           HB2      ALA  61  -7.977  14.297  -4.397
  416   3HB   ALA  61           HB3      ALA  61  -7.030  14.395  -2.910
  417    H    THR  62           HN       THR  62  -4.305  12.122  -3.653
  418    HA   THR  62           HA       THR  62  -3.442  12.448  -6.345
  419    HB   THR  62           HB       THR  62  -1.273  11.638  -5.555
  420    HG1  THR  62           HG1      THR  62  -2.381  11.366  -2.957
  421   1HG2  THR  62          HG21      THR  62  -1.068  13.309  -3.585
  422   2HG2  THR  62          HG22      THR  62  -2.755  13.684  -3.933
  423   3HG2  THR  62          HG23      THR  62  -1.524  13.925  -5.173
  424    H    LEU  63           HN       LEU  63  -4.916   9.871  -4.733
  425    HA   LEU  63           HA       LEU  63  -3.709   7.753  -6.266
  426   1HB   LEU  63           HB2      LEU  63  -6.229   7.743  -4.605
  427   2HB   LEU  63           HB3      LEU  63  -5.411   6.327  -5.234
  428    HG   LEU  63           HG       LEU  63  -4.446   8.192  -3.068
  429   1HD1  LEU  63          HD11      LEU  63  -6.066   6.580  -2.338
  430   2HD1  LEU  63          HD12      LEU  63  -5.175   5.272  -3.112
  431   3HD1  LEU  63          HD13      LEU  63  -4.472   6.124  -1.738
  432   1HD2  LEU  63          HD21      LEU  63  -2.617   6.241  -3.064
  433   2HD2  LEU  63          HD22      LEU  63  -2.962   6.298  -4.792
  434   3HD2  LEU  63          HD23      LEU  63  -2.410   7.750  -3.956
  435    H    GLY  64           HN       GLY  64  -5.443  10.172  -7.355
  436   1HA   GLY  64           HA1      GLY  64  -6.507  10.324  -9.437
  437   2HA   GLY  64           HA2      GLY  64  -6.707   8.571  -9.434
  438    H    THR  65           HN       THR  65  -7.504  10.769  -6.861
  439    HA   THR  65           HA       THR  65  -9.359  11.058  -5.614
  440    HB   THR  65           HB       THR  65 -11.504  11.507  -6.969
  441    HG1  THR  65           HG1      THR  65 -10.214  10.402  -8.874
  442   1HG2  THR  65          HG21      THR  65  -9.650  13.117  -6.077
  443   2HG2  THR  65          HG22      THR  65 -10.867  13.714  -7.202
  444   3HG2  THR  65          HG23      THR  65  -9.256  13.298  -7.787
  445    H    VAL  66           HN       VAL  66  -9.188   8.910  -4.745
  446    HA   VAL  66           HA       VAL  66 -10.504   6.662  -5.775
  447    HB   VAL  66           HB       VAL  66 -10.516   5.819  -3.394
  448   1HG1  VAL  66          HG11      VAL  66  -7.802   6.327  -3.413
  449   2HG1  VAL  66          HG12      VAL  66  -8.624   4.984  -4.206
  450   3HG1  VAL  66          HG13      VAL  66  -8.276   6.459  -5.107
  451   1HG2  VAL  66          HG21      VAL  66  -8.664   7.686  -2.318
  452   2HG2  VAL  66          HG22      VAL  66 -10.116   8.556  -2.807
  453   3HG2  VAL  66          HG23      VAL  66 -10.238   7.199  -1.683
  454    H    GLU  67           HN       GLU  67 -12.516   5.977  -5.746
  455    HA   GLU  67           HA       GLU  67 -14.640   7.752  -5.158
  456   1HB   GLU  67           HB2      GLU  67 -14.314   5.361  -6.590
  457   2HB   GLU  67           HB3      GLU  67 -15.492   4.993  -5.342
  458   1HG   GLU  67           HG2      GLU  67 -16.953   6.632  -6.100
  459   2HG   GLU  67           HG3      GLU  67 -15.731   7.393  -7.114
  460    H    ASP  68           HN       ASP  68 -16.478   7.210  -3.691
  461    HA   ASP  68           HA       ASP  68 -15.583   6.921  -1.052
  462   1HB   ASP  68           HB2      ASP  68 -17.806   7.927  -2.005
  463   2HB   ASP  68           HB3      ASP  68 -18.422   6.295  -1.743
  464    H    LYS  69           HN       LYS  69 -16.887   4.544  -3.311
  465    HA   LYS  69           HA       LYS  69 -17.320   2.455  -1.497
  466   1HB   LYS  69           HB2      LYS  69 -17.088   0.929  -3.440
  467   2HB   LYS  69           HB3      LYS  69 -18.165   2.279  -3.754
  468   1HG   LYS  69           HG2      LYS  69 -15.717   3.191  -4.622
  469   2HG   LYS  69           HG3      LYS  69 -15.726   1.491  -5.088
  470   1HD   LYS  69           HD2      LYS  69 -18.274   2.466  -5.715
  471   2HD   LYS  69           HD3      LYS  69 -17.141   3.713  -6.240
  472   1HE   LYS  69           HE2      LYS  69 -15.836   1.674  -7.223
  473   2HE   LYS  69           HE3      LYS  69 -17.412   0.889  -7.132
  474   1HZ   LYS  69           HZ1      LYS  69 -18.068   1.966  -8.935
  475   2HZ   LYS  69           HZ2      LYS  69 -16.496   2.570  -9.119
  476   3HZ   LYS  69           HZ3      LYS  69 -17.656   3.474  -8.270
  477    H    TYR  70           HN       TYR  70 -14.380   3.748  -2.801
  478    HA   TYR  70           HA       TYR  70 -12.785   1.467  -1.978
  479   1HB   TYR  70           HB2      TYR  70 -12.020   4.177  -3.084
  480   2HB   TYR  70           HB3      TYR  70 -10.858   2.931  -2.653
  481    HD1  TYR  70           HD1      TYR  70 -13.338   3.997  -5.109
  482    HD2  TYR  70           HD2      TYR  70 -10.692   0.867  -3.958
  483    HE1  TYR  70           HE1      TYR  70 -13.536   3.005  -7.353
  484    HE2  TYR  70           HE2      TYR  70 -10.884  -0.134  -6.200
  485    HH   TYR  70           HH       TYR  70 -11.632   1.180  -8.743
  486    H    ARG  71           HN       ARG  71 -13.725   4.605  -0.863
  487    HA   ARG  71           HA       ARG  71 -11.854   4.928   1.221
  488   1HB   ARG  71           HB2      ARG  71 -14.037   6.358   0.138
  489   2HB   ARG  71           HB3      ARG  71 -14.323   6.205   1.863
  490   1HG   ARG  71           HG2      ARG  71 -12.744   7.691   2.354
  491   2HG   ARG  71           HG3      ARG  71 -11.592   6.944   1.238
  492   1HD   ARG  71           HD2      ARG  71 -12.158   9.259   0.600
  493   2HD   ARG  71           HD3      ARG  71 -12.601   8.071  -0.626
  494    HE   ARG  71           HE       ARG  71 -14.921   8.265   0.272
  495   1HH1  ARG  71          HH12      ARG  71 -12.638  10.895   0.703
  496   2HH1  ARG  71          HH11      ARG  71 -13.878  12.097   0.876
  497   1HH2  ARG  71          HH22      ARG  71 -16.529   9.834   0.545
  498   2HH2  ARG  71          HH21      ARG  71 -16.072  11.496   0.800
  499    H    ARG  72           HN       ARG  72 -15.102   3.523   1.084
  500    HA   ARG  72           HA       ARG  72 -15.633   3.224   3.788
  501   1HB   ARG  72           HB2      ARG  72 -16.445   1.530   1.445
  502   2HB   ARG  72           HB3      ARG  72 -17.064   1.277   3.074
  503   1HG   ARG  72           HG2      ARG  72 -18.533   2.923   2.849
  504   2HG   ARG  72           HG3      ARG  72 -17.290   4.045   2.280
  505   1HD   ARG  72           HD2      ARG  72 -17.877   3.768   0.151
  506   2HD   ARG  72           HD3      ARG  72 -17.903   2.012   0.330
  507    HE   ARG  72           HE       ARG  72 -20.161   3.809   0.994
  508   1HH1  ARG  72          HH12      ARG  72 -18.916   0.721  -0.123
  509   2HH1  ARG  72          HH11      ARG  72 -20.495   0.062  -0.447
  510   1HH2  ARG  72          HH22      ARG  72 -22.224   2.959   0.570
  511   2HH2  ARG  72          HH21      ARG  72 -22.389   1.340  -0.054
  512    H    ARG  73           HN       ARG  73 -13.925   0.947   1.649
  513    HA   ARG  73           HA       ARG  73 -13.403  -0.741   3.969
  514   1HB   ARG  73           HB2      ARG  73 -13.042  -2.484   2.550
  515   2HB   ARG  73           HB3      ARG  73 -14.041  -1.500   1.495
  516   1HG   ARG  73           HG2      ARG  73 -11.082  -1.174   1.410
  517   2HG   ARG  73           HG3      ARG  73 -11.832  -2.564   0.623
  518   1HD   ARG  73           HD2      ARG  73 -13.435  -0.588  -0.261
  519   2HD   ARG  73           HD3      ARG  73 -11.923   0.299  -0.059
  520    HE   ARG  73           HE       ARG  73 -10.926  -1.511  -1.504
  521   1HH1  ARG  73          HH12      ARG  73 -14.301  -0.617  -1.776
  522   2HH1  ARG  73          HH11      ARG  73 -14.472  -1.259  -3.382
  523   1HH2  ARG  73          HH22      ARG  73 -11.137  -2.310  -3.618
  524   2HH2  ARG  73          HH21      ARG  73 -12.659  -2.193  -4.449
  525    H    PHE  74           HN       PHE  74 -12.094   1.918   2.561
  526    HA   PHE  74           HA       PHE  74  -9.328   1.405   2.450
  527   1HB   PHE  74           HB2      PHE  74 -10.997   3.691   2.246
  528   2HB   PHE  74           HB3      PHE  74  -9.768   4.061   3.449
  529    HD1  PHE  74           HD1      PHE  74 -10.295   5.115   0.535
  530    HD2  PHE  74           HD2      PHE  74  -7.550   2.353   2.249
  531    HE1  PHE  74           HE1      PHE  74  -8.690   5.597  -1.254
  532    HE2  PHE  74           HE2      PHE  74  -5.935   2.849   0.462
  533    HZ   PHE  74           HZ       PHE  74  -6.493   4.370  -1.301
  534    H    LYS  75           HN       LYS  75 -11.431   2.158   5.135
  535    HA   LYS  75           HA       LYS  75  -9.536   2.778   7.089
  536   1HB   LYS  75           HB2      LYS  75 -11.423   1.688   8.617
  537   2HB   LYS  75           HB3      LYS  75 -11.625   3.254   7.850
  538   1HG   LYS  75           HG2      LYS  75 -13.368   2.547   6.697
  539   2HG   LYS  75           HG3      LYS  75 -12.493   1.132   6.089
  540   1HD   LYS  75           HD2      LYS  75 -13.483  -0.225   7.589
  541   2HD   LYS  75           HD3      LYS  75 -13.220   0.912   8.913
  542   1HE   LYS  75           HE2      LYS  75 -15.226   1.872   7.065
  543   2HE   LYS  75           HE3      LYS  75 -15.647   0.285   7.702
  544   1HZ   LYS  75           HZ1      LYS  75 -15.424   1.124   9.926
  545   2HZ   LYS  75           HZ2      LYS  75 -16.487   2.132   9.063
  546   3HZ   LYS  75           HZ3      LYS  75 -14.900   2.634   9.354
  547    H    TYR  76           HN       TYR  76 -10.335  -0.272   5.684
  548    HA   TYR  76           HA       TYR  76  -9.293  -1.863   7.838
  549   1HB   TYR  76           HB2      TYR  76 -10.128  -2.514   5.020
  550   2HB   TYR  76           HB3      TYR  76  -9.421  -3.714   6.094
  551    HD1  TYR  76           HD1      TYR  76 -12.408  -1.891   5.215
  552    HD2  TYR  76           HD2      TYR  76 -10.616  -4.326   8.205
  553    HE1  TYR  76           HE1      TYR  76 -14.630  -2.326   6.176
  554    HE2  TYR  76           HE2      TYR  76 -12.831  -4.774   9.173
  555    HH   TYR  76           HH       TYR  76 -15.305  -3.133   8.947
  556    H    PHE  77           HN       PHE  77  -7.879   0.067   5.550
  557    HA   PHE  77           HA       PHE  77  -5.402  -1.533   5.537
  558   1HB   PHE  77           HB2      PHE  77  -6.703   0.202   3.514
  559   2HB   PHE  77           HB3      PHE  77  -4.963   0.393   3.668
  560    HD1  PHE  77           HD1      PHE  77  -7.041  -0.922   1.497
  561    HD2  PHE  77           HD2      PHE  77  -4.076  -2.314   4.211
  562    HE1  PHE  77           HE1      PHE  77  -6.702  -2.918   0.105
  563    HE2  PHE  77           HE2      PHE  77  -3.739  -4.313   2.826
  564    HZ   PHE  77           HZ       PHE  77  -5.031  -4.506   0.621
  565    H    LYS  78           HN       LYS  78  -6.941   1.309   6.608
  566    HA   LYS  78           HA       LYS  78  -4.942   3.205   6.770
  567   1HB   LYS  78           HB2      LYS  78  -7.539   2.782   7.882
  568   2HB   LYS  78           HB3      LYS  78  -6.465   3.407   9.130
  569   1HG   LYS  78           HG2      LYS  78  -6.507   5.452   8.260
  570   2HG   LYS  78           HG3      LYS  78  -6.116   4.834   6.647
  571   1HD   LYS  78           HD2      LYS  78  -8.232   4.987   5.977
  572   2HD   LYS  78           HD3      LYS  78  -8.831   4.196   7.430
  573   1HE   LYS  78           HE2      LYS  78  -8.155   6.629   8.417
  574   2HE   LYS  78           HE3      LYS  78  -8.628   7.064   6.777
  575   1HZ   LYS  78           HZ1      LYS  78 -10.549   7.197   8.100
  576   2HZ   LYS  78           HZ2      LYS  78 -10.260   5.698   8.837
  577   3HZ   LYS  78           HZ3      LYS  78 -10.714   5.766   7.204
  578    H    ALA  79           HN       ALA  79  -5.379   0.381   8.793
  579    HA   ALA  79           HA       ALA  79  -3.668   1.252  10.901
  580   1HB   ALA  79           HB1      ALA  79  -3.674  -1.176  11.513
  581   2HB   ALA  79           HB2      ALA  79  -5.273  -0.448  11.376
  582   3HB   ALA  79           HB3      ALA  79  -4.652  -1.474  10.079
  583    H    THR  80           HN       THR  80  -3.183  -0.476   7.866
  584    HA   THR  80           HA       THR  80  -0.416  -1.041   8.506
  585    HB   THR  80           HB       THR  80  -1.515  -1.412   5.755
  586    HG1  THR  80           HG1      THR  80  -2.032  -3.344   7.763
  587   1HG2  THR  80          HG21      THR  80  -0.282  -3.715   6.461
  588   2HG2  THR  80          HG22      THR  80   0.584  -2.571   7.490
  589   3HG2  THR  80          HG23      THR  80   0.554  -2.348   5.739
  590    H    ILE  81           HN       ILE  81  -2.263   1.110   6.397
  591    HA   ILE  81           HA       ILE  81  -0.146   2.230   4.945
  592    HB   ILE  81           HB       ILE  81  -2.657   3.674   5.821
  593   1HG1  ILE  81          HG12      ILE  81  -2.175   2.229   3.222
  594   2HG1  ILE  81          HG13      ILE  81  -3.017   1.504   4.589
  595   1HG2  ILE  81          HG21      ILE  81  -1.991   4.655   3.366
  596   2HG2  ILE  81          HG22      ILE  81  -1.590   5.418   4.905
  597   3HG2  ILE  81          HG23      ILE  81  -0.406   4.395   4.094
  598   1HD1  ILE  81          HD11      ILE  81  -4.558   2.405   2.910
  599   2HD1  ILE  81          HD12      ILE  81  -4.738   3.203   4.473
  600   3HD1  ILE  81          HD13      ILE  81  -3.880   4.012   3.161
  601    H    ALA  82           HN       ALA  82  -1.560   3.126   8.066
  602    HA   ALA  82           HA       ALA  82  -0.113   5.466   8.569
  603   1HB   ALA  82           HB1      ALA  82  -1.970   3.842   9.950
  604   2HB   ALA  82           HB2      ALA  82  -0.594   4.077  11.025
  605   3HB   ALA  82           HB3      ALA  82  -1.445   5.473  10.355
  606    H    ASP  83           HN       ASP  83   0.666   2.090   9.252
  607    HA   ASP  83           HA       ASP  83   3.037   2.734  10.722
  608   1HB   ASP  83           HB2      ASP  83   1.932   0.685  11.274
  609   2HB   ASP  83           HB3      ASP  83   1.960   0.139   9.601
  610    H    LEU  84           HN       LEU  84   2.418   1.494   7.454
  611    HA   LEU  84           HA       LEU  84   5.097   1.199   6.696
  612   1HB   LEU  84           HB2      LEU  84   2.625   1.700   5.064
  613   2HB   LEU  84           HB3      LEU  84   4.186   1.330   4.355
  614    HG   LEU  84           HG       LEU  84   2.951  -0.518   6.365
  615   1HD1  LEU  84          HD11      LEU  84   1.346  -1.165   5.014
  616   2HD1  LEU  84          HD12      LEU  84   1.752   0.164   3.930
  617   3HD1  LEU  84          HD13      LEU  84   2.500  -1.418   3.698
  618   1HD2  LEU  84          HD21      LEU  84   4.969  -0.785   4.161
  619   2HD2  LEU  84          HD22      LEU  84   5.192  -1.038   5.891
  620   3HD2  LEU  84          HD23      LEU  84   4.224  -2.176   4.951
  621    H    SER  85           HN       SER  85   3.044   4.060   6.742
  622    HA   SER  85           HA       SER  85   4.780   5.644   5.101
  623   1HB   SER  85           HB2      SER  85   3.409   7.559   6.257
  624   2HB   SER  85           HB3      SER  85   2.614   6.503   5.098
  625    HG   SER  85           HG       SER  85   1.595   5.460   6.711
  626    H    LYS  86           HN       LYS  86   4.600   4.841   8.469
  627    HA   LYS  86           HA       LYS  86   6.584   6.877   9.160
  628   1HB   LYS  86           HB2      LYS  86   4.791   5.078  10.764
  629   2HB   LYS  86           HB3      LYS  86   6.165   5.886  11.507
  630   1HG   LYS  86           HG2      LYS  86   5.256   8.029  11.079
  631   2HG   LYS  86           HG3      LYS  86   4.046   7.369   9.980
  632   1HD   LYS  86           HD2      LYS  86   2.796   6.439  11.736
  633   2HD   LYS  86           HD3      LYS  86   4.125   6.601  12.885
  634   1HE   LYS  86           HE2      LYS  86   3.378   8.603  13.490
  635   2HE   LYS  86           HE3      LYS  86   3.513   9.172  11.827
  636   1HZ   LYS  86           HZ1      LYS  86   1.200   7.517  12.350
  637   2HZ   LYS  86           HZ2      LYS  86   1.326   8.972  11.497
  638   3HZ   LYS  86           HZ3      LYS  86   1.206   8.999  13.185
  639    H    LYS  87           HN       LYS  87   6.745   4.003   7.775
  640    HA   LYS  87           HA       LYS  87   9.240   3.284   9.160
  641   1HB   LYS  87           HB2      LYS  87   7.150   1.320   8.189
  642   2HB   LYS  87           HB3      LYS  87   8.731   0.885   8.822
  643   1HG   LYS  87           HG2      LYS  87   7.343   2.596  10.660
  644   2HG   LYS  87           HG3      LYS  87   6.345   1.210  10.216
  645   1HD   LYS  87           HD2      LYS  87   8.080  -0.318  10.855
  646   2HD   LYS  87           HD3      LYS  87   9.190   1.019  11.192
  647   1HE   LYS  87           HE2      LYS  87   8.426   0.941  13.293
  648   2HE   LYS  87           HE3      LYS  87   6.948   1.649  12.644
  649   1HZ   LYS  87           HZ1      LYS  87   6.395  -0.277  13.923
  650   2HZ   LYS  87           HZ2      LYS  87   7.483  -1.243  13.041
  651   3HZ   LYS  87           HZ3      LYS  87   6.104  -0.610  12.285
  652    H    ARG  88           HN       ARG  88   7.937   4.350   6.397
  653    HA   ARG  88           HA       ARG  88   9.040   2.730   4.393
  654   1HB   ARG  88           HB2      ARG  88   7.342   4.426   3.919
  655   2HB   ARG  88           HB3      ARG  88   8.477   5.704   4.350
  656   1HG   ARG  88           HG2      ARG  88   9.930   4.549   2.474
  657   2HG   ARG  88           HG3      ARG  88   8.344   4.014   1.914
  658   1HD   ARG  88           HD2      ARG  88   9.468   6.354   1.207
  659   2HD   ARG  88           HD3      ARG  88   7.729   6.075   1.266
  660    HE   ARG  88           HE       ARG  88   8.702   6.966   3.783
  661   1HH1  ARG  88          HH12      ARG  88   7.953   8.078   0.556
  662   2HH1  ARG  88          HH11      ARG  88   7.550   9.692   1.052
  663   1HH2  ARG  88          HH22      ARG  88   8.222   9.098   4.467
  664   2HH2  ARG  88          HH21      ARG  88   7.701  10.283   3.296
  665    H    SER  89           HN       SER  89  11.027   2.338   3.859
  666    HA   SER  89           HA       SER  89  13.234   2.433   3.503
  667   1HB   SER  89           HB2      SER  89  13.165   5.399   4.031
  668   2HB   SER  89           HB3      SER  89  14.289   4.486   3.021
  669    HG   SER  89           HG       SER  89  11.799   4.028   2.173
  670    H    SER  90           HN       SER  90  12.501   4.716   6.128
  671    HA   SER  90           HA       SER  90  14.104   3.085   7.941
  672   1HB   SER  90           HB2      SER  90  14.634   5.958   8.277
  673   2HB   SER  90           HB3      SER  90  15.748   4.595   8.333
  674    HG   SER  90           HG       SER  90  15.921   4.635   6.125
  675    H    GLU  91           HN       GLU  91  12.370   6.181   7.691
  676    HA   GLU  91           HA       GLU  91  10.245   5.471   9.375
  677   1HB   GLU  91           HB2      GLU  91  12.125   5.634  11.068
  678   2HB   GLU  91           HB3      GLU  91  12.240   7.343  10.668
  679   1HG   GLU  91           HG2      GLU  91   9.677   7.298  11.211
  680   2HG   GLU  91           HG3      GLU  91  10.128   5.879  12.155
  Start of MODEL    3
    1    H    GLU  11           HN       GLU  11  19.209  -1.505   0.328
    2    HA   GLU  11           HA       GLU  11  17.808  -3.888   1.235
    3   1HB   GLU  11           HB2      GLU  11  19.904  -3.467   2.675
    4   2HB   GLU  11           HB3      GLU  11  19.043  -2.062   3.290
    5   1HG   GLU  11           HG2      GLU  11  18.265  -3.460   4.845
    6   2HG   GLU  11           HG3      GLU  11  17.185  -4.036   3.578
    7    H    LEU  12           HN       LEU  12  17.610  -0.928   0.044
    8    HA   LEU  12           HA       LEU  12  15.535   0.101   1.789
    9   1HB   LEU  12           HB2      LEU  12  16.599   1.258  -0.776
   10   2HB   LEU  12           HB3      LEU  12  15.581   2.064   0.402
   11    HG   LEU  12           HG       LEU  12  18.337   1.067   1.058
   12   1HD1  LEU  12          HD11      LEU  12  18.373   3.861   0.899
   13   2HD1  LEU  12          HD12      LEU  12  19.194   2.717  -0.161
   14   3HD1  LEU  12          HD13      LEU  12  17.585   3.311  -0.579
   15   1HD2  LEU  12          HD21      LEU  12  18.119   2.733   2.885
   16   2HD2  LEU  12          HD22      LEU  12  16.449   2.999   2.385
   17   3HD2  LEU  12          HD23      LEU  12  16.951   1.415   2.978
   18    H    ASN  13           HN       ASN  13  14.846  -2.289   0.676
   19    HA   ASN  13           HA       ASN  13  13.134  -1.851  -1.629
   20   1HB   ASN  13           HB2      ASN  13  14.556  -3.989  -0.937
   21   2HB   ASN  13           HB3      ASN  13  13.109  -4.373  -0.004
   22   1HD2  ASN  13          HD21      ASN  13  11.867  -5.739  -1.026
   23   2HD2  ASN  13          HD22      ASN  13  11.602  -5.801  -2.733
   24    H    ASN  14           HN       ASN  14  12.554  -0.310   0.656
   25    HA   ASN  14           HA       ASN  14  10.485  -1.398   2.243
   26   1HB   ASN  14           HB2      ASN  14   9.972   1.092   2.681
   27   2HB   ASN  14           HB3      ASN  14  11.534   0.465   3.186
   28   1HD2  ASN  14          HD21      ASN  14  13.336   1.350   2.400
   29   2HD2  ASN  14          HD22      ASN  14  13.376   2.624   1.215
   30    H    LEU  15           HN       LEU  15  10.379   0.635  -0.694
   31    HA   LEU  15           HA       LEU  15   7.603   1.005  -0.710
   32   1HB   LEU  15           HB2      LEU  15   9.640   1.905  -2.267
   33   2HB   LEU  15           HB3      LEU  15   8.872   0.762  -3.355
   34    HG   LEU  15           HG       LEU  15   7.023   2.606  -1.985
   35   1HD1  LEU  15          HD11      LEU  15   7.794   4.569  -2.720
   36   2HD1  LEU  15          HD12      LEU  15   9.344   3.749  -2.897
   37   3HD1  LEU  15          HD13      LEU  15   8.266   3.903  -4.284
   38   1HD2  LEU  15          HD21      LEU  15   7.300   1.172  -4.536
   39   2HD2  LEU  15          HD22      LEU  15   5.863   1.521  -3.576
   40   3HD2  LEU  15          HD23      LEU  15   6.533   2.757  -4.648
   41    H    ARG  16           HN       ARG  16   9.589  -1.586  -2.093
   42    HA   ARG  16           HA       ARG  16   7.423  -2.874  -3.406
   43   1HB   ARG  16           HB2      ARG  16  10.112  -3.238  -3.447
   44   2HB   ARG  16           HB3      ARG  16   9.624  -4.586  -2.431
   45   1HG   ARG  16           HG2      ARG  16   7.855  -4.887  -4.365
   46   2HG   ARG  16           HG3      ARG  16   9.094  -4.058  -5.293
   47   1HD   ARG  16           HD2      ARG  16  10.262  -5.939  -5.456
   48   2HD   ARG  16           HD3      ARG  16  10.332  -6.064  -3.698
   49    HE   ARG  16           HE       ARG  16   8.538  -7.550  -3.733
   50   1HH1  ARG  16          HH12      ARG  16   9.196  -6.301  -6.948
   51   2HH1  ARG  16          HH11      ARG  16   8.213  -7.490  -7.751
   52   1HH2  ARG  16          HH22      ARG  16   7.280  -9.122  -4.761
   53   2HH2  ARG  16          HH21      ARG  16   7.150  -9.138  -6.501
   54    H    MET  17           HN       MET  17   8.845  -3.119  -0.198
   55    HA   MET  17           HA       MET  17   7.334  -5.338   0.717
   56   1HB   MET  17           HB2      MET  17   9.348  -3.684   1.751
   57   2HB   MET  17           HB3      MET  17   7.973  -3.431   2.817
   58   1HG   MET  17           HG2      MET  17   8.610  -6.231   2.138
   59   2HG   MET  17           HG3      MET  17   9.780  -5.376   3.133
   60   1HE   MET  17           HE1      MET  17   9.132  -7.236   5.344
   61   2HE   MET  17           HE2      MET  17   7.456  -7.779   5.327
   62   3HE   MET  17           HE3      MET  17   8.427  -7.898   3.862
   63    H    THR  18           HN       THR  18   6.739  -1.911   0.537
   64    HA   THR  18           HA       THR  18   4.473  -1.768   2.203
   65    HB   THR  18           HB       THR  18   5.020  -0.046  -0.230
   66    HG1  THR  18           HG1      THR  18   6.747  -0.292   1.558
   67   1HG2  THR  18          HG21      THR  18   3.732   1.633   0.898
   68   2HG2  THR  18          HG22      THR  18   3.605   0.636   2.348
   69   3HG2  THR  18          HG23      THR  18   2.783   0.145   0.868
   70    H    TYR  19           HN       TYR  19   4.747  -2.064  -1.356
   71    HA   TYR  19           HA       TYR  19   1.977  -2.367  -1.855
   72   1HB   TYR  19           HB2      TYR  19   3.384  -1.751  -3.686
   73   2HB   TYR  19           HB3      TYR  19   4.432  -3.142  -3.447
   74    HD1  TYR  19           HD1      TYR  19   1.219  -1.988  -4.814
   75    HD2  TYR  19           HD2      TYR  19   3.794  -5.340  -4.302
   76    HE1  TYR  19           HE1      TYR  19  -0.099  -3.249  -6.464
   77    HE2  TYR  19           HE2      TYR  19   2.481  -6.609  -5.949
   78    HH   TYR  19           HH       TYR  19  -0.016  -5.117  -7.885
   79    H    GLU  20           HN       GLU  20   4.555  -4.716  -1.280
   80    HA   GLU  20           HA       GLU  20   3.023  -7.020  -1.791
   81   1HB   GLU  20           HB2      GLU  20   5.594  -6.415  -0.437
   82   2HB   GLU  20           HB3      GLU  20   4.847  -7.967  -0.093
   83   1HG   GLU  20           HG2      GLU  20   4.674  -8.246  -2.623
   84   2HG   GLU  20           HG3      GLU  20   5.799  -6.893  -2.717
   85    H    ARG  21           HN       ARG  21   3.552  -5.155   1.175
   86    HA   ARG  21           HA       ARG  21   2.220  -6.996   2.894
   87   1HB   ARG  21           HB2      ARG  21   3.812  -4.951   3.395
   88   2HB   ARG  21           HB3      ARG  21   2.297  -4.067   3.480
   89   1HG   ARG  21           HG2      ARG  21   2.682  -4.648   5.678
   90   2HG   ARG  21           HG3      ARG  21   1.565  -5.897   5.127
   91   1HD   ARG  21           HD2      ARG  21   4.099  -6.897   4.538
   92   2HD   ARG  21           HD3      ARG  21   4.266  -6.144   6.126
   93    HE   ARG  21           HE       ARG  21   2.377  -7.558   6.843
   94   1HH1  ARG  21          HH12      ARG  21   4.249  -8.486   4.029
   95   2HH1  ARG  21          HH11      ARG  21   3.810 -10.169   4.130
   96   1HH2  ARG  21          HH22      ARG  21   1.797  -9.772   6.992
   97   2HH2  ARG  21          HH21      ARG  21   2.426 -10.909   5.827
   98    H    LEU  22           HN       LEU  22   1.191  -4.281   0.940
   99    HA   LEU  22           HA       LEU  22  -1.476  -4.114   2.009
  100   1HB   LEU  22           HB2      LEU  22  -0.072  -3.053  -0.434
  101   2HB   LEU  22           HB3      LEU  22  -1.814  -2.930  -0.292
  102    HG   LEU  22           HG       LEU  22  -0.159  -1.907   1.959
  103   1HD1  LEU  22          HD11      LEU  22  -0.104   0.303   0.743
  104   2HD1  LEU  22          HD12      LEU  22   1.024  -0.919   0.155
  105   3HD1  LEU  22          HD13      LEU  22  -0.467  -0.593  -0.732
  106   1HD2  LEU  22          HD21      LEU  22  -2.224  -1.352   2.554
  107   2HD2  LEU  22          HD22      LEU  22  -2.187  -0.155   1.257
  108   3HD2  LEU  22          HD23      LEU  22  -2.865  -1.762   0.962
  109    H    ARG  23           HN       ARG  23   0.111  -5.852  -0.587
  110    HA   ARG  23           HA       ARG  23  -2.297  -6.809  -1.775
  111   1HB   ARG  23           HB2      ARG  23   0.049  -6.638  -2.815
  112   2HB   ARG  23           HB3      ARG  23   0.392  -8.139  -1.966
  113   1HG   ARG  23           HG2      ARG  23  -1.799  -8.947  -3.155
  114   2HG   ARG  23           HG3      ARG  23  -1.423  -7.627  -4.266
  115   1HD   ARG  23           HD2      ARG  23   1.001  -8.769  -4.089
  116   2HD   ARG  23           HD3      ARG  23  -0.018 -10.181  -3.805
  117    HE   ARG  23           HE       ARG  23  -1.123  -9.007  -5.982
  118   1HH1  ARG  23          HH12      ARG  23   2.115 -10.114  -5.213
  119   2HH1  ARG  23          HH11      ARG  23   2.510 -10.473  -6.873
  120   1HH2  ARG  23          HH22      ARG  23  -0.622  -9.469  -8.120
  121   2HH2  ARG  23          HH21      ARG  23   0.957 -10.075  -8.538
  122    H    GLU  24           HN       GLU  24  -0.073  -7.973   0.691
  123    HA   GLU  24           HA       GLU  24  -1.200 -10.573   0.932
  124   1HB   GLU  24           HB2      GLU  24   1.026  -9.270   1.950
  125   2HB   GLU  24           HB3      GLU  24   0.002  -9.451   3.363
  126   1HG   GLU  24           HG2      GLU  24   1.753 -11.280   2.672
  127   2HG   GLU  24           HG3      GLU  24   0.207 -11.714   3.399
  128    H    LEU  25           HN       LEU  25  -1.753  -7.445   2.411
  129    HA   LEU  25           HA       LEU  25  -3.611  -8.327   4.373
  130   1HB   LEU  25           HB2      LEU  25  -2.288  -5.979   3.839
  131   2HB   LEU  25           HB3      LEU  25  -3.923  -5.582   3.351
  132    HG   LEU  25           HG       LEU  25  -2.807  -5.999   6.039
  133   1HD1  LEU  25          HD11      LEU  25  -3.492  -3.881   5.919
  134   2HD1  LEU  25          HD12      LEU  25  -4.669  -4.228   4.650
  135   3HD1  LEU  25          HD13      LEU  25  -5.060  -4.578   6.332
  136   1HD2  LEU  25          HD21      LEU  25  -4.277  -7.433   6.861
  137   2HD2  LEU  25          HD22      LEU  25  -5.599  -6.435   6.263
  138   3HD2  LEU  25          HD23      LEU  25  -4.917  -7.691   5.235
  139    H    SER  26           HN       SER  26  -3.811  -7.183   1.064
  140    HA   SER  26           HA       SER  26  -6.600  -6.934   0.853
  141   1HB   SER  26           HB2      SER  26  -4.267  -6.860  -0.910
  142   2HB   SER  26           HB3      SER  26  -5.700  -7.508  -1.697
  143    HG   SER  26           HG       SER  26  -5.150  -4.960  -0.848
  144    H    LEU  27           HN       LEU  27  -4.433  -9.689   0.399
  145    HA   LEU  27           HA       LEU  27  -6.487 -11.363  -0.690
  146   1HB   LEU  27           HB2      LEU  27  -3.666 -11.587  -0.018
  147   2HB   LEU  27           HB3      LEU  27  -4.564 -13.038   0.382
  148    HG   LEU  27           HG       LEU  27  -5.460 -12.962  -2.011
  149   1HD1  LEU  27          HD11      LEU  27  -4.671 -10.556  -2.302
  150   2HD1  LEU  27          HD12      LEU  27  -3.058 -11.239  -2.508
  151   3HD1  LEU  27          HD13      LEU  27  -4.344 -11.679  -3.626
  152   1HD2  LEU  27          HD21      LEU  27  -3.402 -13.981  -2.920
  153   2HD2  LEU  27          HD22      LEU  27  -2.537 -13.440  -1.481
  154   3HD2  LEU  27          HD23      LEU  27  -3.844 -14.609  -1.329
  155    H    ASN  28           HN       ASN  28  -5.305 -10.574   2.482
  156    HA   ASN  28           HA       ASN  28  -6.661 -12.746   3.776
  157   1HB   ASN  28           HB2      ASN  28  -4.833 -12.102   5.023
  158   2HB   ASN  28           HB3      ASN  28  -5.052 -10.391   4.663
  159   1HD2  ASN  28          HD21      ASN  28  -5.770  -9.197   6.238
  160   2HD2  ASN  28          HD22      ASN  28  -6.628  -9.750   7.631
  161    H    LEU  29           HN       LEU  29  -7.174  -9.193   3.900
  162    HA   LEU  29           HA       LEU  29  -9.652  -9.364   5.225
  163   1HB   LEU  29           HB2      LEU  29  -8.569  -7.205   3.416
  164   2HB   LEU  29           HB3      LEU  29 -10.026  -7.046   4.370
  165    HG   LEU  29           HG       LEU  29  -7.364  -7.619   5.626
  166   1HD1  LEU  29          HD11      LEU  29  -7.653  -5.425   4.181
  167   2HD1  LEU  29          HD12      LEU  29  -8.493  -4.878   5.633
  168   3HD1  LEU  29          HD13      LEU  29  -6.818  -5.412   5.734
  169   1HD2  LEU  29          HD21      LEU  29  -9.834  -7.775   6.687
  170   2HD2  LEU  29          HD22      LEU  29  -8.391  -7.346   7.607
  171   3HD2  LEU  29          HD23      LEU  29  -9.455  -6.078   6.998
  172    H    GLY  30           HN       GLY  30  -8.788  -9.478   1.847
  173   1HA   GLY  30           HA1      GLY  30 -11.317  -9.008   0.756
  174   2HA   GLY  30           HA2      GLY  30 -10.011  -9.868  -0.040
  175    H    ASN  31           HN       ASN  31  -9.777 -12.101   1.634
  176    HA   ASN  31           HA       ASN  31 -12.095 -13.614   0.768
  177   1HB   ASN  31           HB2      ASN  31  -9.559 -14.327   0.797
  178   2HB   ASN  31           HB3      ASN  31  -9.912 -14.788   2.460
  179   1HD2  ASN  31          HD21      ASN  31 -10.742 -16.765   2.797
  180   2HD2  ASN  31          HD22      ASN  31 -11.427 -17.774   1.566
  181    H    ARG  32           HN       ARG  32 -11.176 -11.953   3.561
  182    HA   ARG  32           HA       ARG  32 -12.677 -13.644   5.383
  183   1HB   ARG  32           HB2      ARG  32 -10.471 -12.211   5.786
  184   2HB   ARG  32           HB3      ARG  32 -11.654 -10.978   6.197
  185   1HG   ARG  32           HG2      ARG  32 -12.634 -13.036   7.605
  186   2HG   ARG  32           HG3      ARG  32 -10.917 -13.444   7.621
  187   1HD   ARG  32           HD2      ARG  32 -11.481 -12.073   9.548
  188   2HD   ARG  32           HD3      ARG  32 -10.408 -11.196   8.455
  189    HE   ARG  32           HE       ARG  32 -13.084 -10.601   7.821
  190   1HH1  ARG  32          HH12      ARG  32 -10.682  -9.962  10.294
  191   2HH1  ARG  32          HH11      ARG  32 -11.427  -8.471  10.794
  192   1HH2  ARG  32          HH22      ARG  32 -14.012  -8.620   8.410
  193   2HH2  ARG  32          HH21      ARG  32 -13.310  -7.690   9.711
  194    H    MET  33           HN       MET  33 -13.343 -11.264   3.194
  195    HA   MET  33           HA       MET  33 -15.556 -10.071   4.702
  196   1HB   MET  33           HB2      MET  33 -13.788  -9.087   2.700
  197   2HB   MET  33           HB3      MET  33 -15.385  -9.143   1.976
  198   1HG   MET  33           HG2      MET  33 -16.284  -7.650   3.513
  199   2HG   MET  33           HG3      MET  33 -14.965  -7.888   4.659
  200   1HE   MET  33           HE1      MET  33 -12.640  -5.259   4.116
  201   2HE   MET  33           HE2      MET  33 -13.131  -6.745   4.927
  202   3HE   MET  33           HE3      MET  33 -12.099  -6.815   3.496
  203    H    VAL  34           HN       VAL  34 -17.717 -10.128   3.833
  204    HA   VAL  34           HA       VAL  34 -18.155 -12.235   1.820
  205    HB   VAL  34           HB       VAL  34 -20.011 -11.917   4.166
  206   1HG1  VAL  34          HG11      VAL  34 -19.727 -14.558   3.114
  207   2HG1  VAL  34          HG12      VAL  34 -21.151 -13.521   3.162
  208   3HG1  VAL  34          HG13      VAL  34 -20.033 -13.421   1.801
  209   1HG2  VAL  34          HG21      VAL  34 -18.269 -12.566   5.459
  210   2HG2  VAL  34          HG22      VAL  34 -18.702 -14.158   4.834
  211   3HG2  VAL  34          HG23      VAL  34 -17.379 -13.253   4.101
  212    HA   PRO  35           HA       PRO  35 -19.263 -12.704   0.123
  213   1HB   PRO  35           HB2      PRO  35 -19.251 -11.017  -2.266
  214   2HB   PRO  35           HB3      PRO  35 -20.149 -12.503  -1.956
  215   1HG   PRO  35           HG2      PRO  35 -21.375 -10.106  -2.098
  216   2HG   PRO  35           HG3      PRO  35 -21.946 -11.379  -1.001
  217   1HD   PRO  35           HD2      PRO  35 -20.280  -8.960  -0.390
  218   2HD   PRO  35           HD3      PRO  35 -21.631  -9.657   0.529
  219    HA   PRO  36           HA       PRO  36 -14.940 -11.822   0.166
  220   1HB   PRO  36           HB2      PRO  36 -14.781 -13.766  -2.076
  221   2HB   PRO  36           HB3      PRO  36 -13.895 -13.745  -0.550
  222   1HG   PRO  36           HG2      PRO  36 -15.875 -15.478  -0.898
  223   2HG   PRO  36           HG3      PRO  36 -15.689 -14.639   0.657
  224   1HD   PRO  36           HD2      PRO  36 -17.639 -14.088  -1.563
  225   2HD   PRO  36           HD3      PRO  36 -17.899 -14.051   0.196
  226    H    VAL  37           HN       VAL  37 -13.850 -10.242  -0.698
  227    HA   VAL  37           HA       VAL  37 -14.655  -9.010  -3.155
  228    HB   VAL  37           HB       VAL  37 -12.068  -8.252  -1.919
  229   1HG1  VAL  37          HG11      VAL  37 -13.829  -7.146  -3.737
  230   2HG1  VAL  37          HG12      VAL  37 -14.070  -6.198  -2.268
  231   3HG1  VAL  37          HG13      VAL  37 -12.461  -6.339  -2.968
  232   1HG2  VAL  37          HG21      VAL  37 -12.834  -8.119   0.170
  233   2HG2  VAL  37          HG22      VAL  37 -13.946  -6.869  -0.387
  234   3HG2  VAL  37          HG23      VAL  37 -14.471  -8.552  -0.327
  235    H    GLY  38           HN       GLY  38 -12.343 -11.358  -2.211
  236   1HA   GLY  38           HA1      GLY  38 -10.943 -12.685  -3.496
  237   2HA   GLY  38           HA2      GLY  38 -11.461 -11.792  -4.924
  238    H    ASN  39           HN       ASN  39 -10.671  -9.574  -5.100
  239    HA   ASN  39           HA       ASN  39  -7.940  -9.324  -4.046
  240   1HB   ASN  39           HB2      ASN  39  -7.603  -7.743  -6.047
  241   2HB   ASN  39           HB3      ASN  39  -7.680  -9.467  -6.397
  242   1HD2  ASN  39          HD21      ASN  39  -9.555 -10.304  -7.407
  243   2HD2  ASN  39          HD22      ASN  39 -10.658  -9.259  -8.254
  244    H    PHE  40           HN       PHE  40  -9.035  -8.504  -2.169
  245    HA   PHE  40           HA       PHE  40 -10.703  -6.638  -1.487
  246   1HB   PHE  40           HB2      PHE  40  -8.973  -7.602  -0.017
  247   2HB   PHE  40           HB3      PHE  40  -7.798  -6.486  -0.682
  248    HD1  PHE  40           HD1      PHE  40  -7.133  -5.289   1.120
  249    HD2  PHE  40           HD2      PHE  40 -11.295  -5.773   0.407
  250    HE1  PHE  40           HE1      PHE  40  -7.595  -3.694   2.925
  251    HE2  PHE  40           HE2      PHE  40 -11.794  -4.171   2.203
  252    HZ   PHE  40           HZ       PHE  40  -9.947  -3.114   3.463
  253    H    MET  41           HN       MET  41  -7.459  -5.350  -2.204
  254    HA   MET  41           HA       MET  41  -8.783  -3.002  -3.396
  255   1HB   MET  41           HB2      MET  41  -7.250  -2.796  -1.333
  256   2HB   MET  41           HB3      MET  41  -5.930  -3.138  -2.444
  257   1HG   MET  41           HG2      MET  41  -6.285  -0.749  -2.013
  258   2HG   MET  41           HG3      MET  41  -6.405  -1.190  -3.716
  259   1HE   MET  41           HE1      MET  41  -8.026  -0.145  -0.530
  260   2HE   MET  41           HE2      MET  41  -7.964   1.343  -1.474
  261   3HE   MET  41           HE3      MET  41  -9.521   0.648  -1.028
  262    HA   PRO  42           HA       PRO  42  -7.304  -4.479  -7.321
  263   1HB   PRO  42           HB2      PRO  42  -7.182  -1.615  -8.070
  264   2HB   PRO  42           HB3      PRO  42  -8.055  -2.948  -8.832
  265   1HG   PRO  42           HG2      PRO  42  -9.352  -1.101  -7.400
  266   2HG   PRO  42           HG3      PRO  42  -9.846  -2.801  -7.380
  267   1HD   PRO  42           HD2      PRO  42  -8.336  -1.249  -5.325
  268   2HD   PRO  42           HD3      PRO  42  -9.559  -2.519  -5.113
  269    H    ASP  43           HN       ASP  43  -5.382  -4.700  -8.388
  270    HA   ASP  43           HA       ASP  43  -2.982  -4.249  -7.108
  271   1HB   ASP  43           HB2      ASP  43  -2.750  -5.821  -8.757
  272   2HB   ASP  43           HB3      ASP  43  -3.809  -4.966  -9.868
  273    H    SER  44           HN       SER  44  -4.592  -2.231  -9.508
  274    HA   SER  44           HA       SER  44  -2.521  -0.397  -9.971
  275   1HB   SER  44           HB2      SER  44  -5.049   0.903 -10.214
  276   2HB   SER  44           HB3      SER  44  -4.016   0.265 -11.493
  277    HG   SER  44           HG       SER  44  -6.348  -0.608 -10.950
  278    H    ILE  45           HN       ILE  45  -5.260  -0.289  -7.703
  279    HA   ILE  45           HA       ILE  45  -4.611   2.244  -6.624
  280    HB   ILE  45           HB       ILE  45  -6.172   0.052  -5.253
  281   1HG1  ILE  45          HG12      ILE  45  -6.821   1.076  -7.671
  282   2HG1  ILE  45          HG13      ILE  45  -8.013   0.526  -6.499
  283   1HG2  ILE  45          HG21      ILE  45  -5.377   1.977  -3.868
  284   2HG2  ILE  45          HG22      ILE  45  -6.356   3.033  -4.882
  285   3HG2  ILE  45          HG23      ILE  45  -7.128   1.772  -3.913
  286   1HD1  ILE  45          HD11      ILE  45  -8.522   2.717  -7.529
  287   2HD1  ILE  45          HD12      ILE  45  -8.416   2.768  -5.772
  288   3HD1  ILE  45          HD13      ILE  45  -7.080   3.377  -6.756
  289    H    LEU  46           HN       LEU  46  -3.763  -1.070  -5.700
  290    HA   LEU  46           HA       LEU  46  -2.580  -0.486  -3.211
  291   1HB   LEU  46           HB2      LEU  46  -1.904  -2.674  -5.194
  292   2HB   LEU  46           HB3      LEU  46  -1.305  -2.600  -3.553
  293    HG   LEU  46           HG       LEU  46  -4.249  -2.776  -4.188
  294   1HD1  LEU  46          HD11      LEU  46  -2.378  -5.051  -3.546
  295   2HD1  LEU  46          HD12      LEU  46  -4.112  -5.150  -3.845
  296   3HD1  LEU  46          HD13      LEU  46  -3.016  -4.691  -5.150
  297   1HD2  LEU  46          HD21      LEU  46  -4.220  -2.191  -2.002
  298   2HD2  LEU  46          HD22      LEU  46  -3.921  -3.917  -1.782
  299   3HD2  LEU  46          HD23      LEU  46  -2.575  -2.772  -1.749
  300    H    LYS  47           HN       LYS  47  -1.278  -0.380  -6.498
  301    HA   LYS  47           HA       LYS  47   1.422  -0.008  -5.717
  302   1HB   LYS  47           HB2      LYS  47  -0.117   0.243  -8.233
  303   2HB   LYS  47           HB3      LYS  47   1.425   1.085  -8.154
  304   1HG   LYS  47           HG2      LYS  47   2.550  -0.999  -7.602
  305   2HG   LYS  47           HG3      LYS  47   1.004  -1.849  -7.640
  306   1HD   LYS  47           HD2      LYS  47   2.257  -0.398  -9.962
  307   2HD   LYS  47           HD3      LYS  47   2.270  -2.147  -9.718
  308   1HE   LYS  47           HE2      LYS  47  -0.370  -1.580  -9.455
  309   2HE   LYS  47           HE3      LYS  47   0.120  -0.380 -10.646
  310   1HZ   LYS  47           HZ1      LYS  47   1.172  -2.997 -11.189
  311   2HZ   LYS  47           HZ2      LYS  47   0.332  -1.940 -12.212
  312   3HZ   LYS  47           HZ3      LYS  47  -0.522  -2.970 -11.168
  313    H    LYS  48           HN       LYS  48  -1.096   2.332  -6.694
  314    HA   LYS  48           HA       LYS  48   0.629   4.576  -6.439
  315   1HB   LYS  48           HB2      LYS  48  -1.652   5.830  -6.261
  316   2HB   LYS  48           HB3      LYS  48  -1.195   5.077  -7.779
  317   1HG   LYS  48           HG2      LYS  48  -2.644   3.211  -7.353
  318   2HG   LYS  48           HG3      LYS  48  -2.988   3.806  -5.726
  319   1HD   LYS  48           HD2      LYS  48  -4.830   4.595  -6.795
  320   2HD   LYS  48           HD3      LYS  48  -3.741   5.952  -7.090
  321   1HE   LYS  48           HE2      LYS  48  -3.190   5.051  -9.277
  322   2HE   LYS  48           HE3      LYS  48  -4.222   3.654  -8.974
  323   1HZ   LYS  48           HZ1      LYS  48  -6.061   4.808  -9.420
  324   2HZ   LYS  48           HZ2      LYS  48  -5.024   5.874 -10.235
  325   3HZ   LYS  48           HZ3      LYS  48  -5.522   6.218  -8.649
  326    H    MET  49           HN       MET  49  -1.664   3.005  -4.300
  327    HA   MET  49           HA       MET  49  -1.549   4.895  -2.204
  328   1HB   MET  49           HB2      MET  49  -3.187   3.645  -1.377
  329   2HB   MET  49           HB3      MET  49  -3.006   2.608  -2.784
  330   1HG   MET  49           HG2      MET  49  -1.080   1.611  -1.184
  331   2HG   MET  49           HG3      MET  49  -2.259   2.158   0.003
  332   1HE   MET  49           HE1      MET  49  -4.790  -0.055   0.291
  333   2HE   MET  49           HE2      MET  49  -4.472   1.674   0.131
  334   3HE   MET  49           HE3      MET  49  -5.434   0.838  -1.087
  335    H    ALA  50           HN       ALA  50   0.471   2.181  -3.073
  336    HA   ALA  50           HA       ALA  50   1.895   2.181  -0.561
  337   1HB   ALA  50           HB1      ALA  50   1.764   0.090  -1.667
  338   2HB   ALA  50           HB2      ALA  50   2.354   0.778  -3.181
  339   3HB   ALA  50           HB3      ALA  50   3.440   0.622  -1.802
  340    H    ALA  51           HN       ALA  51   2.324   3.577  -3.767
  341    HA   ALA  51           HA       ALA  51   5.042   4.377  -3.273
  342   1HB   ALA  51           HB1      ALA  51   4.759   4.159  -5.516
  343   2HB   ALA  51           HB2      ALA  51   3.088   4.719  -5.476
  344   3HB   ALA  51           HB3      ALA  51   4.410   5.883  -5.375
  345    H    ILE  52           HN       ILE  52   1.898   6.023  -3.283
  346    HA   ILE  52           HA       ILE  52   3.106   8.544  -2.510
  347    HB   ILE  52           HB       ILE  52   0.332   7.623  -3.154
  348   1HG1  ILE  52          HG12      ILE  52   0.518   9.787  -4.557
  349   2HG1  ILE  52          HG13      ILE  52   2.223   9.747  -4.134
  350   1HG2  ILE  52          HG21      ILE  52  -0.367  10.064  -2.589
  351   2HG2  ILE  52          HG22      ILE  52  -0.325   8.847  -1.310
  352   3HG2  ILE  52          HG23      ILE  52   0.998   9.997  -1.473
  353   1HD1  ILE  52          HD11      ILE  52   0.700   8.068  -6.011
  354   2HD1  ILE  52          HD12      ILE  52   2.377   8.619  -6.068
  355   3HD1  ILE  52          HD13      ILE  52   1.938   7.250  -5.056
  356    H    LEU  53           HN       LEU  53   1.336   5.916  -1.040
  357    HA   LEU  53           HA       LEU  53   0.768   5.405   1.085
  358   1HB   LEU  53           HB2      LEU  53   3.392   6.810   1.392
  359   2HB   LEU  53           HB3      LEU  53   2.496   6.309   2.814
  360    HG   LEU  53           HG       LEU  53   3.485   4.499   0.615
  361   1HD1  LEU  53          HD11      LEU  53   4.482   3.669   3.061
  362   2HD1  LEU  53          HD12      LEU  53   5.374   4.514   1.795
  363   3HD1  LEU  53          HD13      LEU  53   4.628   5.425   3.112
  364   1HD2  LEU  53          HD21      LEU  53   1.967   3.853   3.137
  365   2HD2  LEU  53          HD22      LEU  53   1.337   3.751   1.493
  366   3HD2  LEU  53          HD23      LEU  53   2.640   2.679   2.006
  367    HA   PRO  54           HA       PRO  54  -1.232   9.525   1.819
  368   1HB   PRO  54           HB2      PRO  54  -3.717   8.018   1.619
  369   2HB   PRO  54           HB3      PRO  54  -3.182   9.406   0.670
  370   1HG   PRO  54           HG2      PRO  54  -3.404   6.926  -0.375
  371   2HG   PRO  54           HG3      PRO  54  -2.190   8.090  -0.930
  372   1HD   PRO  54           HD2      PRO  54  -1.870   5.778   0.949
  373   2HD   PRO  54           HD3      PRO  54  -0.799   6.312  -0.367
  374    H    MET  55           HN       MET  55  -0.819   9.779   3.922
  375    HA   MET  55           HA       MET  55  -1.749   7.911   5.926
  376   1HB   MET  55           HB2      MET  55   0.081  10.173   5.768
  377   2HB   MET  55           HB3      MET  55  -0.871  10.174   7.245
  378   1HG   MET  55           HG2      MET  55  -0.092   7.594   7.150
  379   2HG   MET  55           HG3      MET  55   1.272   8.384   6.359
  380   1HE   MET  55           HE1      MET  55  -0.114   7.670  10.198
  381   2HE   MET  55           HE2      MET  55  -0.425   9.387  10.456
  382   3HE   MET  55           HE3      MET  55  -1.196   8.543   9.114
  383    H    ASN  56           HN       ASN  56  -2.734  10.958   4.575
  384    HA   ASN  56           HA       ASN  56  -5.007  10.993   6.453
  385   1HB   ASN  56           HB2      ASN  56  -3.140  12.956   6.294
  386   2HB   ASN  56           HB3      ASN  56  -4.303  13.513   5.097
  387   1HD2  ASN  56          HD21      ASN  56  -3.608  14.688   7.661
  388   2HD2  ASN  56          HD22      ASN  56  -5.082  14.755   8.571
  389    H    ASP  57           HN       ASP  57  -6.904  12.236   5.536
  390    HA   ASP  57           HA       ASP  57  -7.735  10.950   3.146
  391   1HB   ASP  57           HB2      ASP  57  -8.913  12.784   5.101
  392   2HB   ASP  57           HB3      ASP  57  -9.530  12.984   3.470
  393    H    SER  58           HN       SER  58  -6.286  14.027   3.835
  394    HA   SER  58           HA       SER  58  -6.902  15.324   1.385
  395   1HB   SER  58           HB2      SER  58  -4.470  16.355   2.345
  396   2HB   SER  58           HB3      SER  58  -6.079  17.006   2.640
  397    HG   SER  58           HG       SER  58  -6.220  15.795   4.524
  398    H    ALA  59           HN       ALA  59  -4.360  13.203   2.523
  399    HA   ALA  59           HA       ALA  59  -2.653  13.483   0.259
  400   1HB   ALA  59           HB1      ALA  59  -1.395  11.679   1.202
  401   2HB   ALA  59           HB2      ALA  59  -1.923  12.732   2.515
  402   3HB   ALA  59           HB3      ALA  59  -2.754  11.206   2.223
  403    H    PHE  60           HN       PHE  60  -5.426  11.582   1.017
  404    HA   PHE  60           HA       PHE  60  -5.094   9.491  -0.836
  405   1HB   PHE  60           HB2      PHE  60  -7.299  10.519   0.836
  406   2HB   PHE  60           HB3      PHE  60  -7.805   9.701  -0.638
  407    HD1  PHE  60           HD1      PHE  60  -7.877   8.957   2.501
  408    HD2  PHE  60           HD2      PHE  60  -5.632   7.721  -0.888
  409    HE1  PHE  60           HE1      PHE  60  -7.453   6.784   3.575
  410    HE2  PHE  60           HE2      PHE  60  -5.207   5.549   0.173
  411    HZ   PHE  60           HZ       PHE  60  -6.118   5.073   2.392
  412    H    ALA  61           HN       ALA  61  -6.074  12.781  -1.229
  413    HA   ALA  61           HA       ALA  61  -7.515  12.565  -3.633
  414   1HB   ALA  61           HB1      ALA  61  -6.457  15.028  -3.840
  415   2HB   ALA  61           HB2      ALA  61  -7.829  14.629  -2.803
  416   3HB   ALA  61           HB3      ALA  61  -6.210  14.720  -2.118
  417    H    THR  62           HN       THR  62  -4.078  12.464  -2.971
  418    HA   THR  62           HA       THR  62  -3.337  13.012  -5.695
  419    HB   THR  62           HB       THR  62  -1.159  11.825  -4.576
  420    HG1  THR  62           HG1      THR  62  -2.194  11.835  -2.513
  421   1HG2  THR  62          HG21      THR  62  -1.334  13.941  -5.892
  422   2HG2  THR  62          HG22      THR  62  -0.228  14.013  -4.522
  423   3HG2  THR  62          HG23      THR  62  -1.826  14.747  -4.397
  424    H    LEU  63           HN       LEU  63  -4.823  10.435  -4.393
  425    HA   LEU  63           HA       LEU  63  -3.339   8.321  -5.724
  426   1HB   LEU  63           HB2      LEU  63  -5.872   8.466  -4.117
  427   2HB   LEU  63           HB3      LEU  63  -5.567   7.062  -5.114
  428    HG   LEU  63           HG       LEU  63  -4.170   7.960  -2.637
  429   1HD1  LEU  63          HD11      LEU  63  -5.399   6.293  -1.880
  430   2HD1  LEU  63          HD12      LEU  63  -5.849   5.788  -3.507
  431   3HD1  LEU  63          HD13      LEU  63  -4.345   5.205  -2.782
  432   1HD2  LEU  63          HD21      LEU  63  -2.309   7.675  -4.133
  433   2HD2  LEU  63          HD22      LEU  63  -2.412   6.270  -3.069
  434   3HD2  LEU  63          HD23      LEU  63  -2.975   6.156  -4.739
  435    H    GLY  64           HN       GLY  64  -5.778  10.580  -6.414
  436   1HA   GLY  64           HA1      GLY  64  -6.228  10.867  -8.828
  437   2HA   GLY  64           HA2      GLY  64  -6.462   9.128  -8.877
  438    H    THR  65           HN       THR  65  -8.434   8.285  -8.421
  439    HA   THR  65           HA       THR  65 -10.404   9.974  -7.086
  440    HB   THR  65           HB       THR  65 -12.039   9.022  -8.954
  441    HG1  THR  65           HG1      THR  65 -10.597   8.017 -10.293
  442   1HG2  THR  65          HG21      THR  65 -10.548  11.514  -8.612
  443   2HG2  THR  65          HG22      THR  65 -12.272  11.247  -8.871
  444   3HG2  THR  65          HG23      THR  65 -11.165  11.261 -10.245
  445    H    VAL  66           HN       VAL  66 -10.872   8.697  -5.370
  446    HA   VAL  66           HA       VAL  66 -11.439   5.868  -5.955
  447    HB   VAL  66           HB       VAL  66 -11.154   5.453  -3.503
  448   1HG1  VAL  66          HG11      VAL  66  -8.638   5.698  -3.542
  449   2HG1  VAL  66          HG12      VAL  66  -9.369   4.822  -4.892
  450   3HG1  VAL  66          HG13      VAL  66  -8.844   6.487  -5.107
  451   1HG2  VAL  66          HG21      VAL  66 -10.084   7.059  -2.077
  452   2HG2  VAL  66          HG22      VAL  66  -9.893   8.194  -3.415
  453   3HG2  VAL  66          HG23      VAL  66 -11.502   7.832  -2.788
  454    H    GLU  67           HN       GLU  67 -13.494   5.281  -5.901
  455    HA   GLU  67           HA       GLU  67 -15.566   7.090  -5.246
  456   1HB   GLU  67           HB2      GLU  67 -15.363   4.277  -6.164
  457   2HB   GLU  67           HB3      GLU  67 -16.859   4.730  -5.367
  458   1HG   GLU  67           HG2      GLU  67 -17.367   5.153  -7.557
  459   2HG   GLU  67           HG3      GLU  67 -16.818   6.740  -7.014
  460    H    ASP  68           HN       ASP  68 -17.388   6.449  -3.775
  461    HA   ASP  68           HA       ASP  68 -16.567   6.480  -1.129
  462   1HB   ASP  68           HB2      ASP  68 -18.761   7.248  -1.559
  463   2HB   ASP  68           HB3      ASP  68 -19.195   5.773  -2.416
  464    H    LYS  69           HN       LYS  69 -17.465   3.716  -3.154
  465    HA   LYS  69           HA       LYS  69 -17.496   1.773  -1.107
  466   1HB   LYS  69           HB2      LYS  69 -17.314   0.120  -2.903
  467   2HB   LYS  69           HB3      LYS  69 -18.473   1.373  -3.320
  468   1HG   LYS  69           HG2      LYS  69 -16.503   2.469  -4.573
  469   2HG   LYS  69           HG3      LYS  69 -15.761   0.867  -4.459
  470   1HD   LYS  69           HD2      LYS  69 -17.344  -0.102  -5.817
  471   2HD   LYS  69           HD3      LYS  69 -18.570   1.109  -5.432
  472   1HE   LYS  69           HE2      LYS  69 -18.073   2.108  -7.364
  473   2HE   LYS  69           HE3      LYS  69 -16.521   2.542  -6.645
  474   1HZ   LYS  69           HZ1      LYS  69 -15.784   1.446  -8.458
  475   2HZ   LYS  69           HZ2      LYS  69 -17.160   0.462  -8.588
  476   3HZ   LYS  69           HZ3      LYS  69 -15.958   0.096  -7.440
  477    H    TYR  70           HN       TYR  70 -14.897   3.290  -2.838
  478    HA   TYR  70           HA       TYR  70 -12.921   1.329  -2.056
  479   1HB   TYR  70           HB2      TYR  70 -12.737   4.031  -3.391
  480   2HB   TYR  70           HB3      TYR  70 -11.309   3.118  -2.922
  481    HD1  TYR  70           HD1      TYR  70 -14.004   3.438  -5.339
  482    HD2  TYR  70           HD2      TYR  70 -10.827   0.942  -4.007
  483    HE1  TYR  70           HE1      TYR  70 -14.106   2.186  -7.456
  484    HE2  TYR  70           HE2      TYR  70 -10.921  -0.308  -6.113
  485    HH   TYR  70           HH       TYR  70 -12.863   0.725  -8.803
  486    H    ARG  71           HN       ARG  71 -14.017   4.510  -1.036
  487    HA   ARG  71           HA       ARG  71 -11.969   4.921   0.913
  488   1HB   ARG  71           HB2      ARG  71 -14.730   6.143   0.609
  489   2HB   ARG  71           HB3      ARG  71 -13.556   6.650   1.814
  490   1HG   ARG  71           HG2      ARG  71 -12.094   6.788  -0.476
  491   2HG   ARG  71           HG3      ARG  71 -13.703   7.253  -1.032
  492   1HD   ARG  71           HD2      ARG  71 -13.764   8.830   0.958
  493   2HD   ARG  71           HD3      ARG  71 -12.035   8.524   1.112
  494    HE   ARG  71           HE       ARG  71 -11.728   9.530  -1.052
  495   1HH1  ARG  71          HH12      ARG  71 -14.888   9.952   0.368
  496   2HH1  ARG  71          HH11      ARG  71 -15.291  11.325  -0.613
  497   1HH2  ARG  71          HH22      ARG  71 -12.237  11.329  -2.343
  498   2HH2  ARG  71          HH21      ARG  71 -13.775  12.117  -2.162
  499    H    ARG  72           HN       ARG  72 -15.127   3.417   0.895
  500    HA   ARG  72           HA       ARG  72 -15.499   3.154   3.641
  501   1HB   ARG  72           HB2      ARG  72 -17.452   2.768   2.595
  502   2HB   ARG  72           HB3      ARG  72 -16.667   2.046   1.197
  503   1HG   ARG  72           HG2      ARG  72 -16.177   0.230   3.149
  504   2HG   ARG  72           HG3      ARG  72 -17.794   0.797   3.562
  505   1HD   ARG  72           HD2      ARG  72 -18.508   0.345   1.251
  506   2HD   ARG  72           HD3      ARG  72 -16.891  -0.267   0.901
  507    HE   ARG  72           HE       ARG  72 -18.779  -1.507   2.803
  508   1HH1  ARG  72          HH12      ARG  72 -16.177  -1.742   0.471
  509   2HH1  ARG  72          HH11      ARG  72 -16.043  -3.470   0.597
  510   1HH2  ARG  72          HH22      ARG  72 -18.591  -3.783   2.984
  511   2HH2  ARG  72          HH21      ARG  72 -17.397  -4.619   2.033
  512    H    ARG  73           HN       ARG  73 -13.722   1.137   1.342
  513    HA   ARG  73           HA       ARG  73 -13.177  -0.764   3.505
  514   1HB   ARG  73           HB2      ARG  73 -13.003  -2.389   1.962
  515   2HB   ARG  73           HB3      ARG  73 -13.807  -1.252   0.894
  516   1HG   ARG  73           HG2      ARG  73 -10.841  -1.161   1.063
  517   2HG   ARG  73           HG3      ARG  73 -11.602  -2.497   0.189
  518   1HD   ARG  73           HD2      ARG  73 -12.201   0.413  -0.287
  519   2HD   ARG  73           HD3      ARG  73 -11.037  -0.527  -1.227
  520    HE   ARG  73           HE       ARG  73 -13.950  -0.834  -1.243
  521   1HH1  ARG  73          HH12      ARG  73 -10.808  -1.644  -2.570
  522   2HH1  ARG  73          HH11      ARG  73 -11.461  -2.530  -3.910
  523   1HH2  ARG  73          HH22      ARG  73 -14.817  -1.938  -3.040
  524   2HH2  ARG  73          HH21      ARG  73 -13.739  -2.678  -4.189
  525    H    PHE  74           HN       PHE  74 -11.954   1.993   2.287
  526    HA   PHE  74           HA       PHE  74  -9.152   1.461   2.204
  527   1HB   PHE  74           HB2      PHE  74 -10.872   3.708   1.821
  528   2HB   PHE  74           HB3      PHE  74  -9.616   4.172   2.966
  529    HD1  PHE  74           HD1      PHE  74 -10.166   5.049  -0.020
  530    HD2  PHE  74           HD2      PHE  74  -7.469   2.340   1.850
  531    HE1  PHE  74           HE1      PHE  74  -8.584   5.339  -1.886
  532    HE2  PHE  74           HE2      PHE  74  -5.890   2.626  -0.002
  533    HZ   PHE  74           HZ       PHE  74  -6.439   4.128  -1.871
  534    H    LYS  75           HN       LYS  75 -11.409   2.376   4.728
  535    HA   LYS  75           HA       LYS  75  -9.594   3.127   6.716
  536   1HB   LYS  75           HB2      LYS  75 -11.438   2.415   8.300
  537   2HB   LYS  75           HB3      LYS  75 -11.880   3.605   7.084
  538   1HG   LYS  75           HG2      LYS  75 -12.656   1.526   5.718
  539   2HG   LYS  75           HG3      LYS  75 -12.668   0.734   7.302
  540   1HD   LYS  75           HD2      LYS  75 -13.994   2.906   7.999
  541   2HD   LYS  75           HD3      LYS  75 -14.359   2.959   6.274
  542   1HE   LYS  75           HE2      LYS  75 -16.006   1.508   6.643
  543   2HE   LYS  75           HE3      LYS  75 -14.788   0.303   7.048
  544   1HZ   LYS  75           HZ1      LYS  75 -16.520   0.639   8.769
  545   2HZ   LYS  75           HZ2      LYS  75 -15.932   2.208   9.015
  546   3HZ   LYS  75           HZ3      LYS  75 -14.939   0.870   9.342
  547    H    TYR  76           HN       TYR  76 -10.433  -0.014   5.498
  548    HA   TYR  76           HA       TYR  76  -9.424  -1.517   7.736
  549   1HB   TYR  76           HB2      TYR  76 -10.101  -2.360   4.906
  550   2HB   TYR  76           HB3      TYR  76  -9.677  -3.468   6.204
  551    HD1  TYR  76           HD1      TYR  76 -12.344  -2.659   4.402
  552    HD2  TYR  76           HD2      TYR  76 -11.159  -2.493   8.484
  553    HE1  TYR  76           HE1      TYR  76 -14.705  -2.752   5.090
  554    HE2  TYR  76           HE2      TYR  76 -13.512  -2.589   9.180
  555    HH   TYR  76           HH       TYR  76 -15.630  -2.725   8.522
  556    H    PHE  77           HN       PHE  77  -8.023   0.283   5.333
  557    HA   PHE  77           HA       PHE  77  -5.528  -1.298   5.331
  558   1HB   PHE  77           HB2      PHE  77  -6.900   0.400   3.341
  559   2HB   PHE  77           HB3      PHE  77  -5.162   0.642   3.458
  560    HD1  PHE  77           HD1      PHE  77  -7.023  -0.516   1.227
  561    HD2  PHE  77           HD2      PHE  77  -4.402  -2.254   4.090
  562    HE1  PHE  77           HE1      PHE  77  -6.662  -2.424  -0.268
  563    HE2  PHE  77           HE2      PHE  77  -4.039  -4.179   2.589
  564    HZ   PHE  77           HZ       PHE  77  -5.169  -4.254   0.394
  565    H    LYS  78           HN       LYS  78  -7.023   1.625   6.352
  566    HA   LYS  78           HA       LYS  78  -4.939   3.449   6.364
  567   1HB   LYS  78           HB2      LYS  78  -7.394   3.128   8.050
  568   2HB   LYS  78           HB3      LYS  78  -6.228   4.392   8.425
  569   1HG   LYS  78           HG2      LYS  78  -6.579   4.732   5.742
  570   2HG   LYS  78           HG3      LYS  78  -8.185   4.214   6.259
  571   1HD   LYS  78           HD2      LYS  78  -8.428   6.028   7.726
  572   2HD   LYS  78           HD3      LYS  78  -6.691   6.346   7.742
  573   1HE   LYS  78           HE2      LYS  78  -6.979   7.861   6.151
  574   2HE   LYS  78           HE3      LYS  78  -7.525   6.585   5.058
  575   1HZ   LYS  78           HZ1      LYS  78  -9.349   7.915   6.980
  576   2HZ   LYS  78           HZ2      LYS  78  -9.755   6.989   5.620
  577   3HZ   LYS  78           HZ3      LYS  78  -9.086   8.540   5.424
  578    H    ALA  79           HN       ALA  79  -5.552   0.868   8.667
  579    HA   ALA  79           HA       ALA  79  -3.771   1.888  10.641
  580   1HB   ALA  79           HB1      ALA  79  -5.547   0.343  11.231
  581   2HB   ALA  79           HB2      ALA  79  -4.784  -0.925  10.274
  582   3HB   ALA  79           HB3      ALA  79  -3.976  -0.294  11.714
  583    H    THR  80           HN       THR  80  -3.402  -0.163   7.864
  584    HA   THR  80           HA       THR  80  -0.669  -0.862   8.578
  585    HB   THR  80           HB       THR  80  -2.016  -1.558   5.981
  586    HG1  THR  80           HG1      THR  80  -3.352  -2.186   7.813
  587   1HG2  THR  80          HG21      THR  80  -0.373  -3.605   7.138
  588   2HG2  THR  80          HG22      THR  80   0.521  -2.086   7.108
  589   3HG2  THR  80          HG23      THR  80  -0.157  -2.737   5.617
  590    H    ILE  81           HN       ILE  81  -2.377   1.128   6.152
  591    HA   ILE  81           HA       ILE  81  -0.139   1.825   4.603
  592    HB   ILE  81           HB       ILE  81  -2.666   3.389   5.171
  593   1HG1  ILE  81          HG12      ILE  81  -1.825   1.651   2.838
  594   2HG1  ILE  81          HG13      ILE  81  -3.072   1.284   4.025
  595   1HG2  ILE  81          HG21      ILE  81  -1.620   4.168   2.696
  596   2HG2  ILE  81          HG22      ILE  81  -1.756   5.143   4.160
  597   3HG2  ILE  81          HG23      ILE  81  -0.270   4.243   3.831
  598   1HD1  ILE  81          HD11      ILE  81  -4.151   3.492   3.157
  599   2HD1  ILE  81          HD12      ILE  81  -3.127   3.204   1.752
  600   3HD1  ILE  81          HD13      ILE  81  -4.318   1.997   2.237
  601    H    ALA  82           HN       ALA  82  -1.507   3.332   7.511
  602    HA   ALA  82           HA       ALA  82   0.282   5.525   7.624
  603   1HB   ALA  82           HB1      ALA  82  -0.780   6.088   9.554
  604   2HB   ALA  82           HB2      ALA  82  -1.975   4.957   8.918
  605   3HB   ALA  82           HB3      ALA  82  -0.823   4.429  10.145
  606    H    ASP  83           HN       ASP  83   0.458   2.239   8.837
  607    HA   ASP  83           HA       ASP  83   2.732   2.652  10.498
  608   1HB   ASP  83           HB2      ASP  83   0.962   0.646  10.318
  609   2HB   ASP  83           HB3      ASP  83   2.236  -0.030   9.310
  610    H    LEU  84           HN       LEU  84   2.257   1.586   7.170
  611    HA   LEU  84           HA       LEU  84   4.981   0.958   6.704
  612   1HB   LEU  84           HB2      LEU  84   2.794   1.636   4.752
  613   2HB   LEU  84           HB3      LEU  84   4.356   0.968   4.321
  614    HG   LEU  84           HG       LEU  84   2.610  -0.506   6.250
  615   1HD1  LEU  84          HD11      LEU  84   1.209  -1.345   4.685
  616   2HD1  LEU  84          HD12      LEU  84   1.487   0.238   3.961
  617   3HD1  LEU  84          HD13      LEU  84   2.378  -1.166   3.376
  618   1HD2  LEU  84          HD21      LEU  84   3.950  -2.283   5.797
  619   2HD2  LEU  84          HD22      LEU  84   4.235  -1.789   4.127
  620   3HD2  LEU  84          HD23      LEU  84   5.098  -0.992   5.441
  621    H    SER  85           HN       SER  85   3.137   3.947   6.412
  622    HA   SER  85           HA       SER  85   5.071   5.295   4.822
  623   1HB   SER  85           HB2      SER  85   3.722   7.315   5.989
  624   2HB   SER  85           HB3      SER  85   3.122   6.413   4.597
  625    HG   SER  85           HG       SER  85   1.796   5.261   5.907
  626    H    LYS  86           HN       LYS  86   4.507   4.975   8.274
  627    HA   LYS  86           HA       LYS  86   6.376   6.989   9.027
  628   1HB   LYS  86           HB2      LYS  86   4.987   4.767  10.491
  629   2HB   LYS  86           HB3      LYS  86   6.254   5.695  11.282
  630   1HG   LYS  86           HG2      LYS  86   5.013   7.695  11.147
  631   2HG   LYS  86           HG3      LYS  86   3.871   6.995   9.995
  632   1HD   LYS  86           HD2      LYS  86   3.612   5.275  12.061
  633   2HD   LYS  86           HD3      LYS  86   3.978   6.773  12.923
  634   1HE   LYS  86           HE2      LYS  86   2.177   7.735  11.226
  635   2HE   LYS  86           HE3      LYS  86   1.630   6.057  11.251
  636   1HZ   LYS  86           HZ1      LYS  86   1.681   8.021  13.447
  637   2HZ   LYS  86           HZ2      LYS  86   1.774   6.370  13.804
  638   3HZ   LYS  86           HZ3      LYS  86   0.435   6.977  12.964
  639    H    LYS  87           HN       LYS  87   6.517   3.521   8.533
  640    HA   LYS  87           HA       LYS  87   9.196   3.221   9.467
  641   1HB   LYS  87           HB2      LYS  87   7.523   1.425   7.711
  642   2HB   LYS  87           HB3      LYS  87   9.060   0.975   8.432
  643   1HG   LYS  87           HG2      LYS  87   7.012   1.954  10.310
  644   2HG   LYS  87           HG3      LYS  87   6.640   0.428   9.507
  645   1HD   LYS  87           HD2      LYS  87   7.962  -0.604  10.966
  646   2HD   LYS  87           HD3      LYS  87   9.338   0.263  10.283
  647   1HE   LYS  87           HE2      LYS  87   7.918   2.016  12.014
  648   2HE   LYS  87           HE3      LYS  87   8.213   0.503  12.870
  649   1HZ   LYS  87           HZ1      LYS  87  10.579   1.094  11.584
  650   2HZ   LYS  87           HZ2      LYS  87  10.257   1.247  13.242
  651   3HZ   LYS  87           HZ3      LYS  87  10.044   2.574  12.212
  652    H    ARG  88           HN       ARG  88   7.722   4.075   6.442
  653    HA   ARG  88           HA       ARG  88  10.085   3.597   4.861
  654   1HB   ARG  88           HB2      ARG  88   7.584   3.571   4.112
  655   2HB   ARG  88           HB3      ARG  88   7.787   5.313   3.961
  656   1HG   ARG  88           HG2      ARG  88   9.688   4.920   2.441
  657   2HG   ARG  88           HG3      ARG  88   9.367   3.185   2.536
  658   1HD   ARG  88           HD2      ARG  88   7.969   3.450   0.820
  659   2HD   ARG  88           HD3      ARG  88   6.907   4.336   1.914
  660    HE   ARG  88           HE       ARG  88   8.921   6.035   0.855
  661   1HH1  ARG  88          HH12      ARG  88   5.950   4.441  -0.070
  662   2HH1  ARG  88          HH11      ARG  88   5.515   5.659  -1.228
  663   1HH2  ARG  88          HH22      ARG  88   8.340   7.644  -0.632
  664   2HH2  ARG  88          HH21      ARG  88   6.868   7.496  -1.548
  665    H    SER  89           HN       SER  89   9.235   5.965   7.042
  666    HA   SER  89           HA       SER  89  10.528   8.158   5.629
  667   1HB   SER  89           HB2      SER  89   9.470   8.078   8.464
  668   2HB   SER  89           HB3      SER  89   9.942   9.513   7.553
  669    HG   SER  89           HG       SER  89   7.795   7.748   6.996
  670    H    SER  90           HN       SER  90  11.378   5.558   7.571
  671    HA   SER  90           HA       SER  90  13.956   6.796   8.254
  672   1HB   SER  90           HB2      SER  90  13.585   4.477   9.829
  673   2HB   SER  90           HB3      SER  90  13.594   6.150  10.372
  674    HG   SER  90           HG       SER  90  11.380   6.241  10.103
  675    H    GLU  91           HN       GLU  91  14.427   3.761   9.083
  676    HA   GLU  91           HA       GLU  91  15.073   2.804   6.384
  677   1HB   GLU  91           HB2      GLU  91  16.836   2.083   8.687
  678   2HB   GLU  91           HB3      GLU  91  17.221   2.159   6.974
  679   1HG   GLU  91           HG2      GLU  91  16.589   4.782   7.808
  680   2HG   GLU  91           HG3      GLU  91  17.677   4.090   9.011
  Start of MODEL    4
    1    H    GLU  11           HN       GLU  11  18.652   0.787   2.336
    2    HA   GLU  11           HA       GLU  11  17.033  -0.423   1.307
    3   1HB   GLU  11           HB2      GLU  11  16.698  -0.586   4.062
    4   2HB   GLU  11           HB3      GLU  11  15.074  -0.353   3.431
    5   1HG   GLU  11           HG2      GLU  11  16.172  -2.746   3.702
    6   2HG   GLU  11           HG3      GLU  11  15.034  -2.364   2.410
    7    H    LEU  12           HN       LEU  12  16.852   1.874   0.215
    8    HA   LEU  12           HA       LEU  12  14.401   3.289   0.617
    9   1HB   LEU  12           HB2      LEU  12  16.633   3.385  -1.356
   10   2HB   LEU  12           HB3      LEU  12  15.109   4.133  -1.800
   11    HG   LEU  12           HG       LEU  12  16.618   4.815   0.723
   12   1HD1  LEU  12          HD11      LEU  12  16.582   6.417  -1.828
   13   2HD1  LEU  12          HD12      LEU  12  17.504   6.739  -0.359
   14   3HD1  LEU  12          HD13      LEU  12  17.905   5.347  -1.363
   15   1HD2  LEU  12          HD21      LEU  12  14.814   6.792  -0.423
   16   2HD2  LEU  12          HD22      LEU  12  14.000   5.293   0.028
   17   3HD2  LEU  12          HD23      LEU  12  14.933   6.185   1.229
   18    H    ASN  13           HN       ASN  13  15.068   0.353  -0.798
   19    HA   ASN  13           HA       ASN  13  13.003   0.496  -2.847
   20   1HB   ASN  13           HB2      ASN  13  15.321  -0.939  -2.687
   21   2HB   ASN  13           HB3      ASN  13  14.153  -2.142  -2.151
   22   1HD2  ASN  13          HD21      ASN  13  14.932   0.109  -4.736
   23   2HD2  ASN  13          HD22      ASN  13  14.156  -0.797  -5.991
   24    H    ASN  14           HN       ASN  14  12.720   0.570   0.244
   25    HA   ASN  14           HA       ASN  14  11.288  -1.675   1.117
   26   1HB   ASN  14           HB2      ASN  14  10.650  -0.366   2.990
   27   2HB   ASN  14           HB3      ASN  14  12.231   0.256   2.519
   28   1HD2  ASN  14          HD21      ASN  14   8.868   0.957   2.870
   29   2HD2  ASN  14          HD22      ASN  14   8.954   2.625   2.428
   30    H    LEU  15           HN       LEU  15  10.423   0.824  -1.042
   31    HA   LEU  15           HA       LEU  15   7.669   1.040  -0.695
   32   1HB   LEU  15           HB2      LEU  15   9.504   2.112  -2.392
   33   2HB   LEU  15           HB3      LEU  15   8.640   1.040  -3.476
   34    HG   LEU  15           HG       LEU  15   7.100   2.928  -1.750
   35   1HD1  LEU  15          HD11      LEU  15   7.286   4.693  -3.357
   36   2HD1  LEU  15          HD12      LEU  15   8.909   4.240  -2.839
   37   3HD1  LEU  15          HD13      LEU  15   8.300   3.702  -4.406
   38   1HD2  LEU  15          HD21      LEU  15   5.516   2.821  -3.555
   39   2HD2  LEU  15          HD22      LEU  15   6.643   1.892  -4.543
   40   3HD2  LEU  15          HD23      LEU  15   5.966   1.187  -3.077
   41    H    ARG  16           HN       ARG  16   9.624  -1.408  -2.208
   42    HA   ARG  16           HA       ARG  16   7.584  -2.750  -3.642
   43   1HB   ARG  16           HB2      ARG  16   9.919  -3.126  -4.172
   44   2HB   ARG  16           HB3      ARG  16  10.234  -3.715  -2.548
   45   1HG   ARG  16           HG2      ARG  16   8.205  -5.337  -3.520
   46   2HG   ARG  16           HG3      ARG  16   9.296  -5.118  -4.885
   47   1HD   ARG  16           HD2      ARG  16  10.337  -6.876  -3.904
   48   2HD   ARG  16           HD3      ARG  16  11.106  -5.578  -2.995
   49    HE   ARG  16           HE       ARG  16   8.769  -7.072  -1.991
   50   1HH1  ARG  16          HH12      ARG  16  11.894  -5.561  -1.464
   51   2HH1  ARG  16          HH11      ARG  16  11.958  -6.020   0.214
   52   1HH2  ARG  16          HH22      ARG  16   8.823  -7.602   0.196
   53   2HH2  ARG  16          HH21      ARG  16  10.212  -7.184   1.167
   54    H    MET  17           HN       MET  17   8.844  -3.016  -0.362
   55    HA   MET  17           HA       MET  17   7.390  -5.344   0.347
   56   1HB   MET  17           HB2      MET  17   9.397  -4.331   1.582
   57   2HB   MET  17           HB3      MET  17   8.253  -3.195   2.280
   58   1HG   MET  17           HG2      MET  17   7.407  -4.710   3.698
   59   2HG   MET  17           HG3      MET  17   7.473  -6.012   2.508
   60   1HE   MET  17           HE1      MET  17   9.860  -4.066   5.273
   61   2HE   MET  17           HE2      MET  17   8.371  -4.928   5.651
   62   3HE   MET  17           HE3      MET  17   9.933  -5.624   6.092
   63    H    THR  18           HN       THR  18   6.736  -1.906   0.434
   64    HA   THR  18           HA       THR  18   4.411  -1.901   1.988
   65    HB   THR  18           HB       THR  18   4.881  -0.063  -0.347
   66    HG1  THR  18           HG1      THR  18   6.276   1.118   0.989
   67   1HG2  THR  18          HG21      THR  18   3.737   1.573   0.975
   68   2HG2  THR  18          HG22      THR  18   3.746   0.515   2.387
   69   3HG2  THR  18          HG23      THR  18   2.760   0.102   0.986
   70    H    TYR  19           HN       TYR  19   4.789  -2.023  -1.556
   71    HA   TYR  19           HA       TYR  19   2.051  -2.269  -2.152
   72   1HB   TYR  19           HB2      TYR  19   3.350  -1.662  -3.986
   73   2HB   TYR  19           HB3      TYR  19   4.593  -2.852  -3.629
   74    HD1  TYR  19           HD1      TYR  19   1.132  -2.481  -4.911
   75    HD2  TYR  19           HD2      TYR  19   4.605  -4.926  -4.711
   76    HE1  TYR  19           HE1      TYR  19   0.183  -3.967  -6.638
   77    HE2  TYR  19           HE2      TYR  19   3.670  -6.420  -6.422
   78    HH   TYR  19           HH       TYR  19   0.452  -5.842  -7.828
   79    H    GLU  20           HN       GLU  20   4.571  -4.679  -1.589
   80    HA   GLU  20           HA       GLU  20   3.057  -6.969  -2.191
   81   1HB   GLU  20           HB2      GLU  20   5.589  -6.358  -0.837
   82   2HB   GLU  20           HB3      GLU  20   4.795  -7.807  -0.244
   83   1HG   GLU  20           HG2      GLU  20   4.872  -8.829  -2.374
   84   2HG   GLU  20           HG3      GLU  20   5.332  -7.318  -3.155
   85    H    ARG  21           HN       ARG  21   3.653  -5.281   0.855
   86    HA   ARG  21           HA       ARG  21   2.203  -6.986   2.532
   87   1HB   ARG  21           HB2      ARG  21   3.775  -5.264   3.312
   88   2HB   ARG  21           HB3      ARG  21   2.664  -4.012   2.785
   89   1HG   ARG  21           HG2      ARG  21   1.627  -4.081   4.727
   90   2HG   ARG  21           HG3      ARG  21   1.266  -5.791   4.500
   91   1HD   ARG  21           HD2      ARG  21   3.919  -5.831   5.176
   92   2HD   ARG  21           HD3      ARG  21   3.299  -4.513   6.173
   93    HE   ARG  21           HE       ARG  21   2.107  -7.223   6.169
   94   1HH1  ARG  21          HH12      ARG  21   3.249  -4.369   7.845
   95   2HH1  ARG  21          HH11      ARG  21   2.889  -4.992   9.426
   96   1HH2  ARG  21          HH22      ARG  21   1.584  -8.038   8.263
   97   2HH2  ARG  21          HH21      ARG  21   1.917  -7.056   9.662
   98    H    LEU  22           HN       LEU  22   1.191  -4.273   0.524
   99    HA   LEU  22           HA       LEU  22  -1.444  -4.130   1.629
  100   1HB   LEU  22           HB2      LEU  22  -0.053  -2.967  -0.728
  101   2HB   LEU  22           HB3      LEU  22  -1.802  -2.907  -0.682
  102    HG   LEU  22           HG       LEU  22  -0.330  -1.972   1.721
  103   1HD1  LEU  22          HD11      LEU  22  -0.647   0.256   0.026
  104   2HD1  LEU  22          HD12      LEU  22   0.855  -0.427   0.652
  105   3HD1  LEU  22          HD13      LEU  22   0.214  -0.972  -0.900
  106   1HD2  LEU  22          HD21      LEU  22  -2.386  -0.245   0.775
  107   2HD2  LEU  22          HD22      LEU  22  -2.982  -1.906   0.693
  108   3HD2  LEU  22          HD23      LEU  22  -2.375  -1.253   2.220
  109    H    ARG  23           HN       ARG  23   0.006  -5.812  -1.112
  110    HA   ARG  23           HA       ARG  23  -2.488  -6.706  -2.172
  111   1HB   ARG  23           HB2      ARG  23  -0.144  -6.568  -3.308
  112   2HB   ARG  23           HB3      ARG  23   0.096  -8.163  -2.605
  113   1HG   ARG  23           HG2      ARG  23  -1.516  -9.134  -3.943
  114   2HG   ARG  23           HG3      ARG  23  -2.353  -7.607  -4.230
  115   1HD   ARG  23           HD2      ARG  23  -1.148  -7.200  -6.055
  116   2HD   ARG  23           HD3      ARG  23   0.368  -7.515  -5.214
  117    HE   ARG  23           HE       ARG  23   0.071  -9.876  -5.731
  118   1HH1  ARG  23          HH12      ARG  23  -1.818  -7.551  -7.542
  119   2HH1  ARG  23          HH11      ARG  23  -2.152  -8.636  -8.859
  120   1HH2  ARG  23          HH22      ARG  23  -0.387 -11.340  -7.432
  121   2HH2  ARG  23          HH21      ARG  23  -1.333 -10.803  -8.791
  122    H    GLU  24           HN       GLU  24  -0.103  -8.020   0.053
  123    HA   GLU  24           HA       GLU  24  -1.343 -10.571   0.311
  124   1HB   GLU  24           HB2      GLU  24   1.065  -9.670   1.006
  125   2HB   GLU  24           HB3      GLU  24   0.254  -9.424   2.546
  126   1HG   GLU  24           HG2      GLU  24   1.183 -11.540   2.735
  127   2HG   GLU  24           HG3      GLU  24  -0.502 -11.854   2.339
  128    H    LEU  25           HN       LEU  25  -1.688  -7.466   1.909
  129    HA   LEU  25           HA       LEU  25  -3.366  -8.449   4.022
  130   1HB   LEU  25           HB2      LEU  25  -1.957  -6.134   3.612
  131   2HB   LEU  25           HB3      LEU  25  -3.589  -5.611   3.258
  132    HG   LEU  25           HG       LEU  25  -2.314  -6.071   5.805
  133   1HD1  LEU  25          HD11      LEU  25  -4.434  -4.492   4.596
  134   2HD1  LEU  25          HD12      LEU  25  -4.760  -4.956   6.264
  135   3HD1  LEU  25          HD13      LEU  25  -3.284  -4.075   5.867
  136   1HD2  LEU  25          HD21      LEU  25  -4.669  -7.731   5.124
  137   2HD2  LEU  25          HD22      LEU  25  -3.338  -8.057   6.232
  138   3HD2  LEU  25          HD23      LEU  25  -4.639  -6.964   6.713
  139    H    SER  26           HN       SER  26  -3.779  -7.154   0.808
  140    HA   SER  26           HA       SER  26  -6.543  -6.621   0.884
  141   1HB   SER  26           HB2      SER  26  -4.427  -6.711  -1.112
  142   2HB   SER  26           HB3      SER  26  -5.923  -7.371  -1.748
  143    HG   SER  26           HG       SER  26  -5.379  -4.794  -0.793
  144    H    LEU  27           HN       LEU  27  -4.646  -9.496   0.230
  145    HA   LEU  27           HA       LEU  27  -6.910 -11.086  -0.547
  146   1HB   LEU  27           HB2      LEU  27  -4.023 -11.403  -0.366
  147   2HB   LEU  27           HB3      LEU  27  -4.893 -12.829   0.157
  148    HG   LEU  27           HG       LEU  27  -5.956 -13.077  -1.964
  149   1HD1  LEU  27          HD11      LEU  27  -5.931 -11.538  -3.721
  150   2HD1  LEU  27          HD12      LEU  27  -6.226 -10.558  -2.285
  151   3HD1  LEU  27          HD13      LEU  27  -4.616 -10.604  -3.007
  152   1HD2  LEU  27          HD21      LEU  27  -3.172 -13.144  -1.620
  153   2HD2  LEU  27          HD22      LEU  27  -4.145 -14.031  -2.795
  154   3HD2  LEU  27          HD23      LEU  27  -3.465 -12.464  -3.221
  155    H    ASN  28           HN       ASN  28  -5.198 -10.363   2.396
  156    HA   ASN  28           HA       ASN  28  -6.333 -12.524   3.903
  157   1HB   ASN  28           HB2      ASN  28  -4.167 -10.997   4.316
  158   2HB   ASN  28           HB3      ASN  28  -5.326 -10.113   5.308
  159   1HD2  ASN  28          HD21      ASN  28  -3.877 -13.267   4.763
  160   2HD2  ASN  28          HD22      ASN  28  -4.081 -13.846   6.388
  161    H    LEU  29           HN       LEU  29  -6.789  -8.972   4.120
  162    HA   LEU  29           HA       LEU  29  -9.005  -9.069   5.837
  163   1HB   LEU  29           HB2      LEU  29  -8.163  -6.992   3.826
  164   2HB   LEU  29           HB3      LEU  29  -9.528  -6.775   4.908
  165    HG   LEU  29           HG       LEU  29  -6.755  -7.345   5.923
  166   1HD1  LEU  29          HD11      LEU  29  -8.038  -4.657   5.502
  167   2HD1  LEU  29          HD12      LEU  29  -6.447  -4.979   6.190
  168   3HD1  LEU  29          HD13      LEU  29  -6.763  -5.341   4.490
  169   1HD2  LEU  29          HD21      LEU  29  -9.003  -5.875   7.276
  170   2HD2  LEU  29          HD22      LEU  29  -8.814  -7.629   7.391
  171   3HD2  LEU  29          HD23      LEU  29  -7.543  -6.565   7.989
  172    H    GLY  30           HN       GLY  30  -8.764  -9.241   2.342
  173   1HA   GLY  30           HA1      GLY  30 -11.453  -8.821   1.709
  174   2HA   GLY  30           HA2      GLY  30 -10.320  -9.736   0.735
  175    H    ASN  31           HN       ASN  31  -9.810 -11.766   2.793
  176    HA   ASN  31           HA       ASN  31 -12.280 -13.307   2.455
  177   1HB   ASN  31           HB2      ASN  31 -10.053 -14.277   1.757
  178   2HB   ASN  31           HB3      ASN  31  -9.585 -14.268   3.456
  179   1HD2  ASN  31          HD21      ASN  31 -10.003 -16.004   4.604
  180   2HD2  ASN  31          HD22      ASN  31 -11.112 -17.262   4.172
  181    H    ARG  32           HN       ARG  32 -10.552 -11.546   4.788
  182    HA   ARG  32           HA       ARG  32 -11.555 -12.956   7.111
  183   1HB   ARG  32           HB2      ARG  32  -9.378 -11.393   6.720
  184   2HB   ARG  32           HB3      ARG  32 -10.490 -10.199   7.373
  185   1HG   ARG  32           HG2      ARG  32 -10.012 -10.900   9.411
  186   2HG   ARG  32           HG3      ARG  32 -10.692 -12.481   9.015
  187   1HD   ARG  32           HD2      ARG  32  -8.574 -13.285   8.272
  188   2HD   ARG  32           HD3      ARG  32  -7.867 -11.671   8.362
  189    HE   ARG  32           HE       ARG  32  -8.880 -12.628  10.872
  190   1HH1  ARG  32          HH12      ARG  32  -6.119 -12.560   8.722
  191   2HH1  ARG  32          HH11      ARG  32  -4.977 -12.980   9.966
  192   1HH2  ARG  32          HH22      ARG  32  -7.397 -13.118  12.517
  193   2HH2  ARG  32          HH21      ARG  32  -5.701 -13.245  12.150
  194    H    MET  33           HN       MET  33 -12.733 -10.829   4.884
  195    HA   MET  33           HA       MET  33 -14.489  -9.351   6.653
  196   1HB   MET  33           HB2      MET  33 -13.383  -8.410   4.527
  197   2HB   MET  33           HB3      MET  33 -14.556  -9.370   3.631
  198   1HG   MET  33           HG2      MET  33 -16.062  -7.782   3.864
  199   2HG   MET  33           HG3      MET  33 -15.952  -7.909   5.616
  200   1HE   MET  33           HE1      MET  33 -16.920  -5.391   4.964
  201   2HE   MET  33           HE2      MET  33 -15.842  -4.047   4.594
  202   3HE   MET  33           HE3      MET  33 -16.296  -5.186   3.324
  203    H    VAL  34           HN       VAL  34 -16.698  -9.643   6.740
  204    HA   VAL  34           HA       VAL  34 -17.838 -11.934   5.292
  205    HB   VAL  34           HB       VAL  34 -18.451 -11.313   8.201
  206   1HG1  VAL  34          HG11      VAL  34 -19.084 -13.950   7.081
  207   2HG1  VAL  34          HG12      VAL  34 -20.054 -12.887   8.102
  208   3HG1  VAL  34          HG13      VAL  34 -19.984 -12.617   6.359
  209   1HG2  VAL  34          HG21      VAL  34 -16.098 -12.225   7.666
  210   2HG2  VAL  34          HG22      VAL  34 -17.058 -13.062   8.886
  211   3HG2  VAL  34          HG23      VAL  34 -16.933 -13.725   7.256
  212    HA   PRO  35           HA       PRO  35 -19.192 -12.318   3.986
  213   1HB   PRO  35           HB2      PRO  35 -20.035 -10.928   1.600
  214   2HB   PRO  35           HB3      PRO  35 -20.814 -12.275   2.424
  215   1HG   PRO  35           HG2      PRO  35 -21.828  -9.707   2.300
  216   2HG   PRO  35           HG3      PRO  35 -22.275 -10.929   3.501
  217   1HD   PRO  35           HD2      PRO  35 -20.461  -8.588   3.769
  218   2HD   PRO  35           HD3      PRO  35 -21.507  -9.352   4.981
  219    HA   PRO  36           HA       PRO  36 -15.156 -11.373   2.465
  220   1HB   PRO  36           HB2      PRO  36 -15.832 -13.211   0.225
  221   2HB   PRO  36           HB3      PRO  36 -14.448 -13.233   1.329
  222   1HG   PRO  36           HG2      PRO  36 -16.410 -14.978   1.653
  223   2HG   PRO  36           HG3      PRO  36 -15.677 -14.191   3.061
  224   1HD   PRO  36           HD2      PRO  36 -18.290 -13.616   1.720
  225   2HD   PRO  36           HD3      PRO  36 -17.890 -13.648   3.450
  226    H    VAL  37           HN       VAL  37 -14.174 -10.045   1.066
  227    HA   VAL  37           HA       VAL  37 -15.873  -8.584  -0.774
  228    HB   VAL  37           HB       VAL  37 -12.945  -8.042  -0.518
  229   1HG1  VAL  37          HG11      VAL  37 -13.698  -6.421  -1.862
  230   2HG1  VAL  37          HG12      VAL  37 -15.366  -6.585  -1.312
  231   3HG1  VAL  37          HG13      VAL  37 -14.211  -5.652  -0.357
  232   1HG2  VAL  37          HG21      VAL  37 -14.968  -7.334   1.597
  233   2HG2  VAL  37          HG22      VAL  37 -13.561  -8.383   1.777
  234   3HG2  VAL  37          HG23      VAL  37 -13.343  -6.658   1.482
  235    H    GLY  38           HN       GLY  38 -13.252 -10.850  -0.868
  236   1HA   GLY  38           HA1      GLY  38 -12.565 -12.165  -2.650
  237   2HA   GLY  38           HA2      GLY  38 -13.686 -11.292  -3.689
  238    H    ASN  39           HN       ASN  39 -13.093  -9.132  -4.348
  239    HA   ASN  39           HA       ASN  39 -10.182  -8.864  -4.660
  240   1HB   ASN  39           HB2      ASN  39 -11.755  -8.911  -6.713
  241   2HB   ASN  39           HB3      ASN  39 -12.270  -7.311  -6.188
  242   1HD2  ASN  39          HD21      ASN  39 -11.443  -6.690  -8.308
  243   2HD2  ASN  39          HD22      ASN  39  -9.757  -6.345  -8.481
  244    H    PHE  40           HN       PHE  40  -9.842  -8.009  -2.626
  245    HA   PHE  40           HA       PHE  40 -11.254  -5.955  -1.386
  246   1HB   PHE  40           HB2      PHE  40  -9.447  -7.521  -0.454
  247   2HB   PHE  40           HB3      PHE  40  -8.283  -6.373  -1.090
  248    HD1  PHE  40           HD1      PHE  40  -7.285  -5.447   0.750
  249    HD2  PHE  40           HD2      PHE  40 -11.529  -5.753   0.652
  250    HE1  PHE  40           HE1      PHE  40  -7.402  -4.174   2.844
  251    HE2  PHE  40           HE2      PHE  40 -11.663  -4.471   2.751
  252    HZ   PHE  40           HZ       PHE  40  -9.604  -3.678   3.848
  253    H    MET  41           HN       MET  41  -7.908  -5.243  -2.313
  254    HA   MET  41           HA       MET  41  -8.893  -2.730  -3.483
  255   1HB   MET  41           HB2      MET  41  -7.383  -2.758  -1.388
  256   2HB   MET  41           HB3      MET  41  -6.095  -3.210  -2.489
  257   1HG   MET  41           HG2      MET  41  -6.133  -0.818  -1.997
  258   2HG   MET  41           HG3      MET  41  -6.366  -1.154  -3.715
  259   1HE   MET  41           HE1      MET  41  -7.847   1.269  -0.974
  260   2HE   MET  41           HE2      MET  41  -9.383   0.443  -0.703
  261   3HE   MET  41           HE3      MET  41  -7.865  -0.397  -0.392
  262    HA   PRO  42           HA       PRO  42  -7.376  -4.269  -7.384
  263   1HB   PRO  42           HB2      PRO  42  -7.138  -1.463  -8.220
  264   2HB   PRO  42           HB3      PRO  42  -8.166  -2.745  -8.869
  265   1HG   PRO  42           HG2      PRO  42  -9.176  -0.697  -7.442
  266   2HG   PRO  42           HG3      PRO  42  -9.856  -2.332  -7.378
  267   1HD   PRO  42           HD2      PRO  42  -8.071  -0.942  -5.428
  268   2HD   PRO  42           HD3      PRO  42  -9.468  -1.997  -5.130
  269    H    ASP  43           HN       ASP  43  -5.476  -4.506  -8.451
  270    HA   ASP  43           HA       ASP  43  -3.077  -4.134  -7.118
  271   1HB   ASP  43           HB2      ASP  43  -3.537  -5.708  -9.043
  272   2HB   ASP  43           HB3      ASP  43  -3.385  -4.321 -10.119
  273    H    SER  44           HN       SER  44  -4.628  -2.073  -9.509
  274    HA   SER  44           HA       SER  44  -2.542  -0.293 -10.013
  275   1HB   SER  44           HB2      SER  44  -4.943   1.168 -10.149
  276   2HB   SER  44           HB3      SER  44  -4.112   0.347 -11.470
  277    HG   SER  44           HG       SER  44  -6.187  -0.445 -11.363
  278    H    ILE  45           HN       ILE  45  -5.267   0.066  -7.734
  279    HA   ILE  45           HA       ILE  45  -4.329   2.469  -6.604
  280    HB   ILE  45           HB       ILE  45  -6.061   0.413  -5.223
  281   1HG1  ILE  45          HG12      ILE  45  -6.851   1.177  -7.534
  282   2HG1  ILE  45          HG13      ILE  45  -7.981   1.385  -6.201
  283   1HG2  ILE  45          HG21      ILE  45  -5.473   1.941  -3.586
  284   2HG2  ILE  45          HG22      ILE  45  -5.464   3.302  -4.705
  285   3HG2  ILE  45          HG23      ILE  45  -6.995   2.593  -4.186
  286   1HD1  ILE  45          HD11      ILE  45  -6.816   3.790  -6.138
  287   2HD1  ILE  45          HD12      ILE  45  -6.594   3.404  -7.846
  288   3HD1  ILE  45          HD13      ILE  45  -8.212   3.417  -7.150
  289    H    LEU  46           HN       LEU  46  -3.780  -0.912  -5.745
  290    HA   LEU  46           HA       LEU  46  -2.554  -0.570  -3.261
  291   1HB   LEU  46           HB2      LEU  46  -2.051  -2.628  -5.407
  292   2HB   LEU  46           HB3      LEU  46  -1.331  -2.710  -3.813
  293    HG   LEU  46           HG       LEU  46  -4.308  -2.726  -4.322
  294   1HD1  LEU  46          HD11      LEU  46  -2.383  -5.004  -3.876
  295   2HD1  LEU  46          HD12      LEU  46  -4.141  -5.144  -3.821
  296   3HD1  LEU  46          HD13      LEU  46  -3.342  -4.685  -5.323
  297   1HD2  LEU  46          HD21      LEU  46  -4.386  -3.638  -2.009
  298   2HD2  LEU  46          HD22      LEU  46  -2.659  -3.303  -1.859
  299   3HD2  LEU  46          HD23      LEU  46  -3.796  -1.973  -2.094
  300    H    LYS  47           HN       LYS  47  -1.267  -0.256  -6.500
  301    HA   LYS  47           HA       LYS  47   1.438  -0.037  -5.653
  302   1HB   LYS  47           HB2      LYS  47  -0.011   0.413  -8.225
  303   2HB   LYS  47           HB3      LYS  47   1.685   0.854  -8.063
  304   1HG   LYS  47           HG2      LYS  47   2.204  -1.451  -7.427
  305   2HG   LYS  47           HG3      LYS  47   0.506  -1.880  -7.614
  306   1HD   LYS  47           HD2      LYS  47   0.587  -1.394  -9.964
  307   2HD   LYS  47           HD3      LYS  47   2.234  -0.776  -9.813
  308   1HE   LYS  47           HE2      LYS  47   3.134  -2.827  -9.799
  309   2HE   LYS  47           HE3      LYS  47   1.861  -3.485  -8.775
  310   1HZ   LYS  47           HZ1      LYS  47   0.459  -3.817 -10.607
  311   2HZ   LYS  47           HZ2      LYS  47   1.974  -4.398 -11.091
  312   3HZ   LYS  47           HZ3      LYS  47   1.438  -2.883 -11.635
  313    H    LYS  48           HN       LYS  48  -1.013   2.413  -6.621
  314    HA   LYS  48           HA       LYS  48   0.855   4.560  -6.334
  315   1HB   LYS  48           HB2      LYS  48  -1.675   5.672  -5.895
  316   2HB   LYS  48           HB3      LYS  48  -0.769   5.664  -7.397
  317   1HG   LYS  48           HG2      LYS  48  -1.885   3.675  -8.121
  318   2HG   LYS  48           HG3      LYS  48  -2.685   3.509  -6.559
  319   1HD   LYS  48           HD2      LYS  48  -4.355   4.779  -7.285
  320   2HD   LYS  48           HD3      LYS  48  -3.227   6.109  -7.533
  321   1HE   LYS  48           HE2      LYS  48  -2.660   4.904  -9.751
  322   2HE   LYS  48           HE3      LYS  48  -4.193   4.070  -9.494
  323   1HZ   LYS  48           HZ1      LYS  48  -5.104   5.827 -10.497
  324   2HZ   LYS  48           HZ2      LYS  48  -3.696   6.764 -10.356
  325   3HZ   LYS  48           HZ3      LYS  48  -4.802   6.697  -9.070
  326    H    MET  49           HN       MET  49  -1.555   3.091  -4.257
  327    HA   MET  49           HA       MET  49  -1.297   4.903  -2.107
  328   1HB   MET  49           HB2      MET  49  -2.967   3.732  -1.219
  329   2HB   MET  49           HB3      MET  49  -2.979   2.829  -2.726
  330   1HG   MET  49           HG2      MET  49  -1.063   1.520  -1.361
  331   2HG   MET  49           HG3      MET  49  -2.130   2.046  -0.065
  332   1HE   MET  49           HE1      MET  49  -5.099  -0.006  -0.179
  333   2HE   MET  49           HE2      MET  49  -4.272   1.449   0.379
  334   3HE   MET  49           HE3      MET  49  -5.298   1.514  -1.053
  335    H    ALA  50           HN       ALA  50   0.535   2.122  -3.104
  336    HA   ALA  50           HA       ALA  50   1.941   1.785  -0.628
  337   1HB   ALA  50           HB1      ALA  50   3.133   0.846  -3.184
  338   2HB   ALA  50           HB2      ALA  50   2.981   0.020  -1.634
  339   3HB   ALA  50           HB3      ALA  50   1.584   0.152  -2.705
  340    H    ALA  51           HN       ALA  51   2.361   3.700  -3.522
  341    HA   ALA  51           HA       ALA  51   5.105   4.385  -2.874
  342   1HB   ALA  51           HB1      ALA  51   5.218   4.776  -5.055
  343   2HB   ALA  51           HB2      ALA  51   3.494   4.434  -5.206
  344   3HB   ALA  51           HB3      ALA  51   4.045   6.082  -4.904
  345    H    ILE  52           HN       ILE  52   1.961   6.052  -2.949
  346    HA   ILE  52           HA       ILE  52   3.111   8.501  -1.956
  347    HB   ILE  52           HB       ILE  52   0.328   7.593  -2.602
  348   1HG1  ILE  52          HG12      ILE  52   0.816  10.035  -3.803
  349   2HG1  ILE  52          HG13      ILE  52   2.404   9.270  -3.814
  350   1HG2  ILE  52          HG21      ILE  52   0.313   8.977  -0.488
  351   2HG2  ILE  52          HG22      ILE  52   0.915  10.314  -1.467
  352   3HG2  ILE  52          HG23      ILE  52  -0.657   9.594  -1.825
  353   1HD1  ILE  52          HD11      ILE  52   0.907   8.940  -5.841
  354   2HD1  ILE  52          HD12      ILE  52   1.660   7.506  -5.151
  355   3HD1  ILE  52          HD13      ILE  52  -0.041   7.860  -4.819
  356    H    LEU  53           HN       LEU  53   1.299   5.800  -0.647
  357    HA   LEU  53           HA       LEU  53   0.731   5.155   1.444
  358   1HB   LEU  53           HB2      LEU  53   3.358   6.504   1.754
  359   2HB   LEU  53           HB3      LEU  53   2.461   6.158   3.226
  360    HG   LEU  53           HG       LEU  53   3.224   4.118   1.134
  361   1HD1  LEU  53          HD11      LEU  53   5.131   3.721   2.216
  362   2HD1  LEU  53          HD12      LEU  53   4.894   5.299   2.964
  363   3HD1  LEU  53          HD13      LEU  53   4.359   3.831   3.795
  364   1HD2  LEU  53          HD21      LEU  53   1.332   4.067   3.303
  365   2HD2  LEU  53          HD22      LEU  53   1.667   2.847   2.075
  366   3HD2  LEU  53          HD23      LEU  53   2.614   2.888   3.566
  367    HA   PRO  54           HA       PRO  54  -1.310   9.222   2.300
  368   1HB   PRO  54           HB2      PRO  54  -3.812   8.021   1.535
  369   2HB   PRO  54           HB3      PRO  54  -2.940   9.338   0.752
  370   1HG   PRO  54           HG2      PRO  54  -3.282   6.867  -0.369
  371   2HG   PRO  54           HG3      PRO  54  -1.935   7.953  -0.758
  372   1HD   PRO  54           HD2      PRO  54  -1.995   5.598   1.095
  373   2HD   PRO  54           HD3      PRO  54  -0.738   6.093  -0.065
  374    H    MET  55           HN       MET  55  -1.450   9.375   4.444
  375    HA   MET  55           HA       MET  55  -2.835   7.296   5.963
  376   1HB   MET  55           HB2      MET  55  -1.013   9.563   6.691
  377   2HB   MET  55           HB3      MET  55  -2.059   8.850   7.916
  378   1HG   MET  55           HG2      MET  55  -1.079   6.664   7.488
  379   2HG   MET  55           HG3      MET  55  -0.036   7.367   6.254
  380   1HE   MET  55           HE1      MET  55  -1.355   8.148   9.659
  381   2HE   MET  55           HE2      MET  55   0.043   8.253  10.724
  382   3HE   MET  55           HE3      MET  55  -0.413   9.639   9.726
  383    H    ASN  56           HN       ASN  56  -3.323  10.504   4.789
  384    HA   ASN  56           HA       ASN  56  -5.819  10.739   6.345
  385   1HB   ASN  56           HB2      ASN  56  -3.736  12.490   6.424
  386   2HB   ASN  56           HB3      ASN  56  -4.727  13.185   5.142
  387   1HD2  ASN  56          HD21      ASN  56  -4.587  14.833   7.099
  388   2HD2  ASN  56          HD22      ASN  56  -5.957  14.777   8.158
  389    H    ASP  57           HN       ASP  57  -7.536  12.005   5.240
  390    HA   ASP  57           HA       ASP  57  -8.139  10.878   2.736
  391   1HB   ASP  57           HB2      ASP  57  -9.819  11.738   4.389
  392   2HB   ASP  57           HB3      ASP  57  -9.368  13.374   3.919
  393    H    SER  58           HN       SER  58  -6.634  13.933   3.589
  394    HA   SER  58           HA       SER  58  -6.878  15.232   1.112
  395   1HB   SER  58           HB2      SER  58  -4.395  15.853   2.459
  396   2HB   SER  58           HB3      SER  58  -5.830  16.860   2.250
  397    HG   SER  58           HG       SER  58  -6.115  16.562   4.307
  398    H    ALA  59           HN       ALA  59  -4.530  12.965   2.385
  399    HA   ALA  59           HA       ALA  59  -2.699  13.125   0.203
  400   1HB   ALA  59           HB1      ALA  59  -2.105  10.745   1.239
  401   2HB   ALA  59           HB2      ALA  59  -1.606  12.254   2.002
  402   3HB   ALA  59           HB3      ALA  59  -3.031  11.394   2.590
  403    H    PHE  60           HN       PHE  60  -5.625  11.406   0.847
  404    HA   PHE  60           HA       PHE  60  -5.326   9.342  -1.069
  405   1HB   PHE  60           HB2      PHE  60  -7.562  10.439   0.562
  406   2HB   PHE  60           HB3      PHE  60  -7.993   9.495  -0.863
  407    HD1  PHE  60           HD1      PHE  60  -8.505   8.770   2.075
  408    HD2  PHE  60           HD2      PHE  60  -5.391   7.801  -0.652
  409    HE1  PHE  60           HE1      PHE  60  -8.065   6.695   3.320
  410    HE2  PHE  60           HE2      PHE  60  -4.946   5.729   0.580
  411    HZ   PHE  60           HZ       PHE  60  -6.267   5.172   2.555
  412    H    ALA  61           HN       ALA  61  -6.154  12.678  -1.292
  413    HA   ALA  61           HA       ALA  61  -7.592  12.615  -3.718
  414   1HB   ALA  61           HB1      ALA  61  -7.831  14.747  -3.192
  415   2HB   ALA  61           HB2      ALA  61  -6.592  14.602  -1.944
  416   3HB   ALA  61           HB3      ALA  61  -6.137  15.033  -3.591
  417    H    THR  62           HN       THR  62  -4.188  12.405  -2.990
  418    HA   THR  62           HA       THR  62  -3.321  12.963  -5.669
  419    HB   THR  62           HB       THR  62  -1.236  11.718  -4.404
  420    HG1  THR  62           HG1      THR  62  -2.259  11.834  -2.392
  421   1HG2  THR  62          HG21      THR  62  -1.689  14.673  -4.321
  422   2HG2  THR  62          HG22      THR  62  -1.408  13.827  -5.842
  423   3HG2  THR  62          HG23      THR  62  -0.179  13.799  -4.577
  424    H    LEU  63           HN       LEU  63  -4.804  10.341  -4.317
  425    HA   LEU  63           HA       LEU  63  -3.329   8.232  -5.648
  426   1HB   LEU  63           HB2      LEU  63  -5.921   8.395  -4.141
  427   2HB   LEU  63           HB3      LEU  63  -5.555   6.978  -5.091
  428    HG   LEU  63           HG       LEU  63  -4.472   7.843  -2.494
  429   1HD1  LEU  63          HD11      LEU  63  -6.038   5.975  -2.823
  430   2HD1  LEU  63          HD12      LEU  63  -4.804   5.143  -3.768
  431   3HD1  LEU  63          HD13      LEU  63  -4.525   5.483  -2.060
  432   1HD2  LEU  63          HD21      LEU  63  -2.414   8.006  -3.600
  433   2HD2  LEU  63          HD22      LEU  63  -2.430   6.391  -2.887
  434   3HD2  LEU  63          HD23      LEU  63  -2.748   6.601  -4.613
  435    H    GLY  64           HN       GLY  64  -5.513  10.604  -6.509
  436   1HA   GLY  64           HA1      GLY  64  -5.907  10.867  -8.932
  437   2HA   GLY  64           HA2      GLY  64  -6.346   9.159  -8.938
  438    H    THR  65           HN       THR  65  -8.352   8.545  -8.359
  439    HA   THR  65           HA       THR  65 -10.139  10.355  -6.992
  440    HB   THR  65           HB       THR  65 -11.685   9.516  -9.168
  441    HG1  THR  65           HG1      THR  65  -9.124   9.974  -9.920
  442   1HG2  THR  65          HG21      THR  65 -10.707  12.116  -8.098
  443   2HG2  THR  65          HG22      THR  65 -12.350  11.479  -8.176
  444   3HG2  THR  65          HG23      THR  65 -11.571  12.089  -9.636
  445    H    VAL  66           HN       VAL  66  -9.792   8.482  -5.532
  446    HA   VAL  66           HA       VAL  66 -10.744   5.913  -6.313
  447    HB   VAL  66           HB       VAL  66 -10.792   5.407  -3.849
  448   1HG1  VAL  66          HG11      VAL  66  -8.819   5.085  -5.346
  449   2HG1  VAL  66          HG12      VAL  66  -8.194   6.621  -4.738
  450   3HG1  VAL  66          HG13      VAL  66  -8.445   5.273  -3.631
  451   1HG2  VAL  66          HG21      VAL  66  -9.353   7.304  -2.615
  452   2HG2  VAL  66          HG22      VAL  66 -10.299   8.318  -3.706
  453   3HG2  VAL  66          HG23      VAL  66 -11.115   7.243  -2.567
  454    H    GLU  67           HN       GLU  67 -12.726   4.987  -6.081
  455    HA   GLU  67           HA       GLU  67 -14.982   6.694  -5.913
  456   1HB   GLU  67           HB2      GLU  67 -14.488   3.794  -6.287
  457   2HB   GLU  67           HB3      GLU  67 -16.082   4.261  -5.731
  458   1HG   GLU  67           HG2      GLU  67 -16.659   4.757  -7.800
  459   2HG   GLU  67           HG3      GLU  67 -15.364   5.950  -7.888
  460    H    ASP  68           HN       ASP  68 -16.757   6.408  -4.395
  461    HA   ASP  68           HA       ASP  68 -15.925   6.657  -1.735
  462   1HB   ASP  68           HB2      ASP  68 -18.156   7.382  -2.966
  463   2HB   ASP  68           HB3      ASP  68 -18.737   5.851  -2.306
  464    H    LYS  69           HN       LYS  69 -17.002   3.888  -3.591
  465    HA   LYS  69           HA       LYS  69 -17.381   2.145  -1.370
  466   1HB   LYS  69           HB2      LYS  69 -17.199   0.310  -3.082
  467   2HB   LYS  69           HB3      LYS  69 -18.437   1.512  -3.396
  468   1HG   LYS  69           HG2      LYS  69 -16.148   2.416  -4.729
  469   2HG   LYS  69           HG3      LYS  69 -16.253   0.686  -5.042
  470   1HD   LYS  69           HD2      LYS  69 -18.827   1.399  -5.364
  471   2HD   LYS  69           HD3      LYS  69 -18.023   2.881  -5.883
  472   1HE   LYS  69           HE2      LYS  69 -16.557   0.843  -7.064
  473   2HE   LYS  69           HE3      LYS  69 -18.230   0.320  -7.213
  474   1HZ   LYS  69           HZ1      LYS  69 -18.154   1.599  -9.045
  475   2HZ   LYS  69           HZ2      LYS  69 -16.847   2.529  -8.488
  476   3HZ   LYS  69           HZ3      LYS  69 -18.420   2.872  -7.957
  477    H    TYR  70           HN       TYR  70 -14.633   3.199  -3.208
  478    HA   TYR  70           HA       TYR  70 -12.856   1.154  -2.242
  479   1HB   TYR  70           HB2      TYR  70 -12.318   3.826  -3.568
  480   2HB   TYR  70           HB3      TYR  70 -11.040   2.749  -3.032
  481    HD1  TYR  70           HD1      TYR  70 -10.012   1.733  -4.806
  482    HD2  TYR  70           HD2      TYR  70 -14.227   2.238  -4.905
  483    HE1  TYR  70           HE1      TYR  70 -10.094   0.525  -6.942
  484    HE2  TYR  70           HE2      TYR  70 -14.333   1.029  -7.042
  485    HH   TYR  70           HH       TYR  70 -11.563  -0.637  -8.356
  486    H    ARG  71           HN       ARG  71 -13.888   4.334  -1.297
  487    HA   ARG  71           HA       ARG  71 -11.944   4.890   0.662
  488   1HB   ARG  71           HB2      ARG  71 -14.799   5.828   0.378
  489   2HB   ARG  71           HB3      ARG  71 -13.637   6.519   1.497
  490   1HG   ARG  71           HG2      ARG  71 -12.271   6.669  -0.848
  491   2HG   ARG  71           HG3      ARG  71 -13.937   6.923  -1.380
  492   1HD   ARG  71           HD2      ARG  71 -12.869   8.379   1.000
  493   2HD   ARG  71           HD3      ARG  71 -12.495   8.949  -0.629
  494    HE   ARG  71           HE       ARG  71 -15.301   8.474  -0.222
  495   1HH1  ARG  71          HH12      ARG  71 -12.716  10.789   0.270
  496   2HH1  ARG  71          HH11      ARG  71 -13.767  12.166   0.252
  497   1HH2  ARG  71          HH22      ARG  71 -16.695  10.281  -0.247
  498   2HH2  ARG  71          HH21      ARG  71 -16.041  11.882  -0.069
  499    H    ARG  72           HN       ARG  72 -14.880   3.012   0.714
  500    HA   ARG  72           HA       ARG  72 -15.254   2.826   3.483
  501   1HB   ARG  72           HB2      ARG  72 -16.143   1.341   1.117
  502   2HB   ARG  72           HB3      ARG  72 -16.253   0.496   2.653
  503   1HG   ARG  72           HG2      ARG  72 -17.946   1.744   3.356
  504   2HG   ARG  72           HG3      ARG  72 -17.249   3.238   2.724
  505   1HD   ARG  72           HD2      ARG  72 -17.877   1.788   0.478
  506   2HD   ARG  72           HD3      ARG  72 -19.237   1.470   1.558
  507    HE   ARG  72           HE       ARG  72 -18.494   4.029   0.376
  508   1HH1  ARG  72          HH12      ARG  72 -20.486   2.346   2.721
  509   2HH1  ARG  72          HH11      ARG  72 -21.649   3.638   2.836
  510   1HH2  ARG  72          HH22      ARG  72 -20.035   5.707   0.492
  511   2HH2  ARG  72          HH21      ARG  72 -21.397   5.537   1.562
  512    H    ARG  73           HN       ARG  73 -13.973   0.259   1.350
  513    HA   ARG  73           HA       ARG  73 -12.871  -1.161   3.554
  514   1HB   ARG  73           HB2      ARG  73 -12.453  -2.822   2.077
  515   2HB   ARG  73           HB3      ARG  73 -13.555  -1.892   1.074
  516   1HG   ARG  73           HG2      ARG  73 -10.578  -1.546   0.956
  517   2HG   ARG  73           HG3      ARG  73 -11.448  -2.734  -0.017
  518   1HD   ARG  73           HD2      ARG  73 -12.032   0.221   0.010
  519   2HD   ARG  73           HD3      ARG  73 -11.023  -0.586  -1.195
  520    HE   ARG  73           HE       ARG  73 -13.923  -1.040  -0.811
  521   1HH1  ARG  73          HH12      ARG  73 -11.064  -1.155  -2.851
  522   2HH1  ARG  73          HH11      ARG  73 -11.960  -1.562  -4.283
  523   1HH2  ARG  73          HH22      ARG  73 -15.072  -1.553  -2.672
  524   2HH2  ARG  73          HH21      ARG  73 -14.243  -1.771  -4.184
  525    H    PHE  74           HN       PHE  74 -11.940   1.649   2.182
  526    HA   PHE  74           HA       PHE  74  -9.096   1.369   2.050
  527   1HB   PHE  74           HB2      PHE  74 -10.977   3.397   1.533
  528   2HB   PHE  74           HB3      PHE  74  -9.907   4.035   2.777
  529    HD1  PHE  74           HD1      PHE  74 -10.234   4.909  -0.172
  530    HD2  PHE  74           HD2      PHE  74  -7.469   2.373   1.837
  531    HE1  PHE  74           HE1      PHE  74  -8.543   5.397  -1.895
  532    HE2  PHE  74           HE2      PHE  74  -5.778   2.860   0.123
  533    HZ   PHE  74           HZ       PHE  74  -6.305   4.376  -1.733
  534    H    LYS  75           HN       LYS  75 -11.346   2.321   4.578
  535    HA   LYS  75           HA       LYS  75  -9.437   3.207   6.439
  536   1HB   LYS  75           HB2      LYS  75 -11.209   2.984   8.109
  537   2HB   LYS  75           HB3      LYS  75 -11.807   3.755   6.648
  538   1HG   LYS  75           HG2      LYS  75 -12.799   1.643   5.937
  539   2HG   LYS  75           HG3      LYS  75 -12.192   0.868   7.403
  540   1HD   LYS  75           HD2      LYS  75 -13.930   1.604   8.591
  541   2HD   LYS  75           HD3      LYS  75 -13.649   3.267   8.063
  542   1HE   LYS  75           HE2      LYS  75 -14.823   2.702   5.937
  543   2HE   LYS  75           HE3      LYS  75 -15.226   1.132   6.633
  544   1HZ   LYS  75           HZ1      LYS  75 -15.927   3.596   8.078
  545   2HZ   LYS  75           HZ2      LYS  75 -16.675   2.070   8.121
  546   3HZ   LYS  75           HZ3      LYS  75 -16.887   3.082   6.777
  547    H    TYR  76           HN       TYR  76 -10.417   0.015   5.510
  548    HA   TYR  76           HA       TYR  76  -9.411  -1.253   7.893
  549   1HB   TYR  76           HB2      TYR  76  -9.948  -2.564   5.226
  550   2HB   TYR  76           HB3      TYR  76  -9.888  -3.329   6.806
  551    HD1  TYR  76           HD1      TYR  76 -12.075  -2.816   4.402
  552    HD2  TYR  76           HD2      TYR  76 -11.588  -1.652   8.463
  553    HE1  TYR  76           HE1      TYR  76 -14.504  -2.540   4.605
  554    HE2  TYR  76           HE2      TYR  76 -14.027  -1.367   8.681
  555    HH   TYR  76           HH       TYR  76 -16.162  -2.570   7.181
  556    H    PHE  77           HN       PHE  77  -8.046   0.160   5.211
  557    HA   PHE  77           HA       PHE  77  -5.626  -1.501   5.253
  558   1HB   PHE  77           HB2      PHE  77  -7.024   0.118   3.285
  559   2HB   PHE  77           HB3      PHE  77  -5.320   0.547   3.385
  560    HD1  PHE  77           HD1      PHE  77  -6.926  -0.775   1.060
  561    HD2  PHE  77           HD2      PHE  77  -4.418  -2.276   4.145
  562    HE1  PHE  77           HE1      PHE  77  -6.382  -2.727  -0.338
  563    HE2  PHE  77           HE2      PHE  77  -3.873  -4.223   2.762
  564    HZ   PHE  77           HZ       PHE  77  -4.835  -4.328   0.353
  565    H    LYS  78           HN       LYS  78  -6.931   1.440   6.353
  566    HA   LYS  78           HA       LYS  78  -4.747   3.155   6.369
  567   1HB   LYS  78           HB2      LYS  78  -7.374   3.229   7.288
  568   2HB   LYS  78           HB3      LYS  78  -6.394   3.508   8.721
  569   1HG   LYS  78           HG2      LYS  78  -6.370   5.638   8.087
  570   2HG   LYS  78           HG3      LYS  78  -5.214   5.137   6.855
  571   1HD   LYS  78           HD2      LYS  78  -6.728   5.294   5.175
  572   2HD   LYS  78           HD3      LYS  78  -8.066   4.752   6.190
  573   1HE   LYS  78           HE2      LYS  78  -6.805   7.493   6.237
  574   2HE   LYS  78           HE3      LYS  78  -8.346   7.080   5.494
  575   1HZ   LYS  78           HZ1      LYS  78  -7.690   7.481   8.288
  576   2HZ   LYS  78           HZ2      LYS  78  -8.690   6.153   7.981
  577   3HZ   LYS  78           HZ3      LYS  78  -9.160   7.706   7.470
  578    H    ALA  79           HN       ALA  79  -5.510   0.518   8.514
  579    HA   ALA  79           HA       ALA  79  -3.817   1.224  10.648
  580   1HB   ALA  79           HB1      ALA  79  -3.873  -1.352  10.989
  581   2HB   ALA  79           HB2      ALA  79  -5.352  -0.409  11.189
  582   3HB   ALA  79           HB3      ALA  79  -5.075  -1.306   9.700
  583    H    THR  80           HN       THR  80  -3.286  -0.439   7.609
  584    HA   THR  80           HA       THR  80  -0.571  -1.139   8.310
  585    HB   THR  80           HB       THR  80  -1.310  -1.428   5.515
  586    HG1  THR  80           HG1      THR  80  -2.881  -2.900   7.372
  587   1HG2  THR  80          HG21      THR  80  -1.021  -3.788   7.244
  588   2HG2  THR  80          HG22      THR  80   0.349  -2.676   7.278
  589   3HG2  THR  80          HG23      THR  80  -0.188  -3.374   5.749
  590    H    ILE  81           HN       ILE  81  -2.243   1.054   6.091
  591    HA   ILE  81           HA       ILE  81   0.000   2.066   4.756
  592    HB   ILE  81           HB       ILE  81  -2.552   3.562   5.378
  593   1HG1  ILE  81          HG12      ILE  81  -1.915   1.992   2.882
  594   2HG1  ILE  81          HG13      ILE  81  -2.818   1.320   4.234
  595   1HG2  ILE  81          HG21      ILE  81  -1.290   5.226   4.524
  596   2HG2  ILE  81          HG22      ILE  81  -0.228   4.129   3.639
  597   3HG2  ILE  81          HG23      ILE  81  -1.830   4.510   3.003
  598   1HD1  ILE  81          HD11      ILE  81  -4.364   2.075   2.583
  599   2HD1  ILE  81          HD12      ILE  81  -4.470   3.135   3.988
  600   3HD1  ILE  81          HD13      ILE  81  -3.609   3.668   2.541
  601    H    ALA  82           HN       ALA  82  -1.512   3.046   7.798
  602    HA   ALA  82           HA       ALA  82   0.014   5.395   8.189
  603   1HB   ALA  82           HB1      ALA  82  -1.428   5.608   9.843
  604   2HB   ALA  82           HB2      ALA  82  -1.974   3.947   9.605
  605   3HB   ALA  82           HB3      ALA  82  -0.635   4.288  10.702
  606    H    ASP  83           HN       ASP  83   0.484   2.045   9.264
  607    HA   ASP  83           HA       ASP  83   2.810   2.512  10.795
  608   1HB   ASP  83           HB2      ASP  83   1.708   0.467  11.203
  609   2HB   ASP  83           HB3      ASP  83   1.620   0.069   9.492
  610    H    LEU  84           HN       LEU  84   2.337   1.513   7.422
  611    HA   LEU  84           HA       LEU  84   5.100   1.278   6.841
  612   1HB   LEU  84           HB2      LEU  84   2.603   1.466   5.203
  613   2HB   LEU  84           HB3      LEU  84   4.164   1.592   4.419
  614    HG   LEU  84           HG       LEU  84   3.711  -0.729   6.227
  615   1HD1  LEU  84          HD11      LEU  84   2.152  -0.156   3.806
  616   2HD1  LEU  84          HD12      LEU  84   2.917  -1.745   3.844
  617   3HD1  LEU  84          HD13      LEU  84   1.820  -1.259   5.140
  618   1HD2  LEU  84          HD21      LEU  84   5.887  -0.376   5.182
  619   2HD2  LEU  84          HD22      LEU  84   5.117  -1.840   4.568
  620   3HD2  LEU  84          HD23      LEU  84   5.127  -0.377   3.588
  621    H    SER  85           HN       SER  85   2.837   3.983   6.703
  622    HA   SER  85           HA       SER  85   4.597   5.693   5.235
  623   1HB   SER  85           HB2      SER  85   2.037   5.863   5.536
  624   2HB   SER  85           HB3      SER  85   2.418   6.687   7.044
  625    HG   SER  85           HG       SER  85   2.443   7.645   4.535
  626    H    LYS  86           HN       LYS  86   4.205   4.784   8.528
  627    HA   LYS  86           HA       LYS  86   5.650   6.996   9.639
  628   1HB   LYS  86           HB2      LYS  86   4.276   4.619  10.652
  629   2HB   LYS  86           HB3      LYS  86   5.759   4.983  11.526
  630   1HG   LYS  86           HG2      LYS  86   4.975   7.230  11.970
  631   2HG   LYS  86           HG3      LYS  86   3.502   6.910  11.052
  632   1HD   LYS  86           HD2      LYS  86   3.959   4.900  13.092
  633   2HD   LYS  86           HD3      LYS  86   3.880   6.527  13.773
  634   1HE   LYS  86           HE2      LYS  86   1.787   6.722  12.188
  635   2HE   LYS  86           HE3      LYS  86   1.796   4.965  12.323
  636   1HZ   LYS  86           HZ1      LYS  86   0.605   5.334  14.147
  637   2HZ   LYS  86           HZ2      LYS  86   1.070   6.962  14.277
  638   3HZ   LYS  86           HZ3      LYS  86   2.077   5.734  14.881
  639    H    LYS  87           HN       LYS  87   6.372   3.537   9.221
  640    HA   LYS  87           HA       LYS  87   9.062   3.708  10.035
  641   1HB   LYS  87           HB2      LYS  87   7.864   1.636   8.203
  642   2HB   LYS  87           HB3      LYS  87   9.296   1.461   9.210
  643   1HG   LYS  87           HG2      LYS  87   7.097   2.238  10.849
  644   2HG   LYS  87           HG3      LYS  87   6.627   0.863   9.849
  645   1HD   LYS  87           HD2      LYS  87   7.680  -0.444  11.314
  646   2HD   LYS  87           HD3      LYS  87   9.190   0.248  10.717
  647   1HE   LYS  87           HE2      LYS  87   8.511   2.172  12.423
  648   2HE   LYS  87           HE3      LYS  87   7.687   0.823  13.204
  649   1HZ   LYS  87           HZ1      LYS  87  10.577   1.089  12.603
  650   2HZ   LYS  87           HZ2      LYS  87   9.866  -0.387  13.048
  651   3HZ   LYS  87           HZ3      LYS  87   9.841   0.923  14.121
  652    H    ARG  88           HN       ARG  88   7.628   4.465   6.961
  653    HA   ARG  88           HA       ARG  88  10.040   4.118   5.440
  654   1HB   ARG  88           HB2      ARG  88   8.856   5.051   3.589
  655   2HB   ARG  88           HB3      ARG  88   7.744   3.996   4.449
  656   1HG   ARG  88           HG2      ARG  88   6.316   5.637   4.785
  657   2HG   ARG  88           HG3      ARG  88   7.575   6.675   5.457
  658   1HD   ARG  88           HD2      ARG  88   8.254   7.267   3.144
  659   2HD   ARG  88           HD3      ARG  88   6.909   6.305   2.534
  660    HE   ARG  88           HE       ARG  88   6.469   8.606   4.320
  661   1HH1  ARG  88          HH12      ARG  88   5.859   6.910   1.307
  662   2HH1  ARG  88          HH11      ARG  88   4.579   7.977   0.825
  663   1HH2  ARG  88          HH22      ARG  88   4.724   9.950   3.720
  664   2HH2  ARG  88          HH21      ARG  88   3.909   9.682   2.205
  665    H    SER  89           HN       SER  89   8.922   6.617   7.519
  666    HA   SER  89           HA       SER  89  11.088   8.325   6.500
  667   1HB   SER  89           HB2      SER  89   9.001   9.987   7.544
  668   2HB   SER  89           HB3      SER  89   9.672   9.949   5.914
  669    HG   SER  89           HG       SER  89   7.323   8.900   6.881
  670    H    SER  90           HN       SER  90   8.890   7.758   9.229
  671    HA   SER  90           HA       SER  90  10.618   9.202  11.033
  672   1HB   SER  90           HB2      SER  90   8.116   7.584  11.592
  673   2HB   SER  90           HB3      SER  90   8.927   8.663  12.733
  674    HG   SER  90           HG       SER  90   8.436  10.401  11.385
  675    H    GLU  91           HN       GLU  91  12.164   7.295  10.024
  676    HA   GLU  91           HA       GLU  91  12.468   5.429  12.271
  677   1HB   GLU  91           HB2      GLU  91  11.649   4.379  10.047
  678   2HB   GLU  91           HB3      GLU  91  13.277   4.697   9.456
  679   1HG   GLU  91           HG2      GLU  91  13.635   2.609  10.208
  680   2HG   GLU  91           HG3      GLU  91  13.868   3.450  11.739
  Start of MODEL    5
    1    H    GLU  11           HN       GLU  11  14.774  -4.737  -2.136
    2    HA   GLU  11           HA       GLU  11  15.893  -3.773  -0.420
    3   1HB   GLU  11           HB2      GLU  11  17.972  -4.946  -1.747
    4   2HB   GLU  11           HB3      GLU  11  18.454  -3.254  -1.728
    5   1HG   GLU  11           HG2      GLU  11  17.434  -4.293   0.818
    6   2HG   GLU  11           HG3      GLU  11  18.935  -5.028   0.258
    7    H    LEU  12           HN       LEU  12  16.767  -2.407  -3.563
    8    HA   LEU  12           HA       LEU  12  17.081   0.271  -2.685
    9   1HB   LEU  12           HB2      LEU  12  16.177  -0.495  -5.450
   10   2HB   LEU  12           HB3      LEU  12  17.226   0.828  -4.974
   11    HG   LEU  12           HG       LEU  12  18.255  -1.889  -4.411
   12   1HD1  LEU  12          HD11      LEU  12  18.852  -2.395  -6.646
   13   2HD1  LEU  12          HD12      LEU  12  17.120  -2.071  -6.642
   14   3HD1  LEU  12          HD13      LEU  12  18.242  -0.845  -7.233
   15   1HD2  LEU  12          HD21      LEU  12  19.654   0.298  -5.877
   16   2HD2  LEU  12          HD22      LEU  12  19.342   0.458  -4.148
   17   3HD2  LEU  12          HD23      LEU  12  20.298  -0.896  -4.747
   18    H    ASN  13           HN       ASN  13  14.380  -1.654  -3.773
   19    HA   ASN  13           HA       ASN  13  12.615   0.673  -3.636
   20   1HB   ASN  13           HB2      ASN  13  10.955  -1.211  -4.522
   21   2HB   ASN  13           HB3      ASN  13  12.023  -0.316  -5.593
   22   1HD2  ASN  13          HD21      ASN  13  13.321  -1.403  -6.844
   23   2HD2  ASN  13          HD22      ASN  13  13.699  -3.091  -6.696
   24    H    ASN  14           HN       ASN  14  12.408   0.898  -1.392
   25    HA   ASN  14           HA       ASN  14  11.662  -1.291   0.282
   26   1HB   ASN  14           HB2      ASN  14  12.172   0.212   1.862
   27   2HB   ASN  14           HB3      ASN  14  12.300   1.468   0.640
   28   1HD2  ASN  14          HD21      ASN  14  10.689   0.441   3.379
   29   2HD2  ASN  14          HD22      ASN  14   9.350   1.539   3.312
   30    H    LEU  15           HN       LEU  15  10.067   0.834  -1.830
   31    HA   LEU  15           HA       LEU  15   7.428   0.818  -0.950
   32   1HB   LEU  15           HB2      LEU  15   8.775   1.881  -3.052
   33   2HB   LEU  15           HB3      LEU  15   7.884   0.603  -3.858
   34    HG   LEU  15           HG       LEU  15   6.237   2.234  -2.059
   35   1HD1  LEU  15          HD11      LEU  15   6.867   4.255  -2.741
   36   2HD1  LEU  15          HD12      LEU  15   8.082   3.557  -3.816
   37   3HD1  LEU  15          HD13      LEU  15   6.429   3.793  -4.383
   38   1HD2  LEU  15          HD21      LEU  15   4.878   1.028  -3.393
   39   2HD2  LEU  15          HD22      LEU  15   5.132   2.361  -4.522
   40   3HD2  LEU  15          HD23      LEU  15   6.091   0.888  -4.666
   41    H    ARG  16           HN       ARG  16   9.346  -1.633  -2.455
   42    HA   ARG  16           HA       ARG  16   7.384  -3.300  -3.530
   43   1HB   ARG  16           HB2      ARG  16   9.943  -3.472  -3.713
   44   2HB   ARG  16           HB3      ARG  16   9.876  -4.292  -2.164
   45   1HG   ARG  16           HG2      ARG  16   9.685  -6.159  -3.342
   46   2HG   ARG  16           HG3      ARG  16   8.011  -5.664  -3.607
   47   1HD   ARG  16           HD2      ARG  16  10.164  -4.662  -5.434
   48   2HD   ARG  16           HD3      ARG  16   9.531  -6.297  -5.637
   49    HE   ARG  16           HE       ARG  16   8.244  -3.848  -6.353
   50   1HH1  ARG  16          HH12      ARG  16   7.623  -7.146  -5.277
   51   2HH1  ARG  16          HH11      ARG  16   6.025  -7.191  -5.953
   52   1HH2  ARG  16          HH22      ARG  16   6.134  -3.903  -7.172
   53   2HH2  ARG  16          HH21      ARG  16   5.180  -5.342  -7.020
   54    H    MET  17           HN       MET  17   8.643  -3.006  -0.240
   55    HA   MET  17           HA       MET  17   7.203  -5.244   0.802
   56   1HB   MET  17           HB2      MET  17   8.807  -3.032   1.949
   57   2HB   MET  17           HB3      MET  17   7.665  -3.829   3.015
   58   1HG   MET  17           HG2      MET  17   9.415  -5.175   3.411
   59   2HG   MET  17           HG3      MET  17   8.825  -5.977   1.955
   60   1HE   MET  17           HE1      MET  17  10.010  -6.763   0.540
   61   2HE   MET  17           HE2      MET  17  10.760  -5.698  -0.650
   62   3HE   MET  17           HE3      MET  17  11.766  -6.649   0.442
   63    H    THR  18           HN       THR  18   6.598  -1.815   0.478
   64    HA   THR  18           HA       THR  18   4.319  -1.580   2.103
   65    HB   THR  18           HB       THR  18   4.617  -0.066  -0.468
   66    HG1  THR  18           HG1      THR  18   6.076   0.726   1.806
   67   1HG2  THR  18          HG21      THR  18   4.151   1.377   2.038
   68   2HG2  THR  18          HG22      THR  18   2.896   0.203   1.642
   69   3HG2  THR  18          HG23      THR  18   3.306   1.480   0.493
   70    H    TYR  19           HN       TYR  19   4.654  -2.126  -1.369
   71    HA   TYR  19           HA       TYR  19   1.913  -2.497  -1.940
   72   1HB   TYR  19           HB2      TYR  19   3.445  -1.917  -3.706
   73   2HB   TYR  19           HB3      TYR  19   4.442  -3.325  -3.389
   74    HD1  TYR  19           HD1      TYR  19   1.266  -2.158  -4.854
   75    HD2  TYR  19           HD2      TYR  19   3.914  -5.442  -4.327
   76    HE1  TYR  19           HE1      TYR  19   0.080  -3.394  -6.614
   77    HE2  TYR  19           HE2      TYR  19   2.735  -6.697  -6.083
   78    HH   TYR  19           HH       TYR  19   0.012  -5.249  -7.864
   79    H    GLU  20           HN       GLU  20   4.506  -4.744  -1.057
   80    HA   GLU  20           HA       GLU  20   3.044  -7.101  -1.543
   81   1HB   GLU  20           HB2      GLU  20   5.269  -7.543  -1.456
   82   2HB   GLU  20           HB3      GLU  20   5.561  -6.384  -0.169
   83   1HG   GLU  20           HG2      GLU  20   4.868  -7.856   1.473
   84   2HG   GLU  20           HG3      GLU  20   4.088  -8.936   0.327
   85    H    ARG  21           HN       ARG  21   3.528  -5.195   1.431
   86    HA   ARG  21           HA       ARG  21   2.091  -6.945   3.132
   87   1HB   ARG  21           HB2      ARG  21   3.644  -4.969   3.749
   88   2HB   ARG  21           HB3      ARG  21   2.223  -3.959   3.532
   89   1HG   ARG  21           HG2      ARG  21   2.077  -4.336   5.761
   90   2HG   ARG  21           HG3      ARG  21   1.148  -5.717   5.176
   91   1HD   ARG  21           HD2      ARG  21   3.875  -6.472   5.218
   92   2HD   ARG  21           HD3      ARG  21   3.522  -5.686   6.755
   93    HE   ARG  21           HE       ARG  21   2.279  -8.147   5.719
   94   1HH1  ARG  21          HH12      ARG  21   2.665  -5.805   8.297
   95   2HH1  ARG  21          HH11      ARG  21   1.929  -6.811   9.500
   96   1HH2  ARG  21          HH22      ARG  21   1.270  -9.472   7.294
   97   2HH2  ARG  21          HH21      ARG  21   1.122  -8.897   8.938
   98    H    LEU  22           HN       LEU  22   1.100  -4.393   0.947
   99    HA   LEU  22           HA       LEU  22  -1.611  -4.214   1.881
  100   1HB   LEU  22           HB2      LEU  22  -0.098  -3.300  -0.543
  101   2HB   LEU  22           HB3      LEU  22  -1.847  -3.237  -0.553
  102    HG   LEU  22           HG       LEU  22  -0.427  -1.979   1.734
  103   1HD1  LEU  22          HD11      LEU  22  -0.518   0.140   0.178
  104   2HD1  LEU  22          HD12      LEU  22   0.890  -0.927   0.179
  105   3HD1  LEU  22          HD13      LEU  22  -0.313  -1.063  -1.096
  106   1HD2  LEU  22          HD21      LEU  22  -3.030  -1.991   0.469
  107   2HD2  LEU  22          HD22      LEU  22  -2.565  -1.496   2.101
  108   3HD2  LEU  22          HD23      LEU  22  -2.428  -0.356   0.763
  109    H    ARG  23           HN       ARG  23   0.118  -6.071  -0.547
  110    HA   ARG  23           HA       ARG  23  -2.187  -7.225  -1.757
  111   1HB   ARG  23           HB2      ARG  23  -0.240  -7.288  -3.078
  112   2HB   ARG  23           HB3      ARG  23   0.759  -7.840  -1.743
  113   1HG   ARG  23           HG2      ARG  23  -0.444 -10.029  -1.853
  114   2HG   ARG  23           HG3      ARG  23  -1.230  -9.447  -3.322
  115   1HD   ARG  23           HD2      ARG  23   0.522 -10.429  -4.332
  116   2HD   ARG  23           HD3      ARG  23   1.330  -8.916  -3.934
  117    HE   ARG  23           HE       ARG  23   1.587 -10.773  -1.804
  118   1HH1  ARG  23          HH12      ARG  23   2.816 -10.049  -4.996
  119   2HH1  ARG  23          HH11      ARG  23   4.332 -10.854  -4.735
  120   1HH2  ARG  23          HH22      ARG  23   3.588 -11.809  -1.448
  121   2HH2  ARG  23          HH21      ARG  23   4.776 -11.851  -2.715
  122    H    GLU  24           HN       GLU  24  -0.049  -8.077   0.877
  123    HA   GLU  24           HA       GLU  24  -1.093 -10.682   1.364
  124   1HB   GLU  24           HB2      GLU  24   1.136 -10.045   2.094
  125   2HB   GLU  24           HB3      GLU  24   0.479  -8.766   3.102
  126   1HG   GLU  24           HG2      GLU  24  -0.790 -10.745   4.249
  127   2HG   GLU  24           HG3      GLU  24   0.519 -11.702   3.549
  128    H    LEU  25           HN       LEU  25  -1.808  -7.458   2.581
  129    HA   LEU  25           HA       LEU  25  -3.642  -8.368   4.598
  130   1HB   LEU  25           HB2      LEU  25  -2.323  -5.996   4.047
  131   2HB   LEU  25           HB3      LEU  25  -3.982  -5.629   3.613
  132    HG   LEU  25           HG       LEU  25  -2.759  -5.889   6.228
  133   1HD1  LEU  25          HD11      LEU  25  -5.356  -4.733   5.273
  134   2HD1  LEU  25          HD12      LEU  25  -4.695  -4.541   6.895
  135   3HD1  LEU  25          HD13      LEU  25  -3.834  -3.869   5.504
  136   1HD2  LEU  25          HD21      LEU  25  -3.823  -8.014   6.376
  137   2HD2  LEU  25          HD22      LEU  25  -4.780  -6.863   7.314
  138   3HD2  LEU  25          HD23      LEU  25  -5.324  -7.366   5.714
  139    H    SER  26           HN       SER  26  -3.822  -7.215   1.287
  140    HA   SER  26           HA       SER  26  -6.620  -6.958   1.071
  141   1HB   SER  26           HB2      SER  26  -4.301  -6.866  -0.676
  142   2HB   SER  26           HB3      SER  26  -5.655  -7.667  -1.457
  143    HG   SER  26           HG       SER  26  -5.533  -5.058  -0.394
  144    H    LEU  27           HN       LEU  27  -4.436  -9.681   0.820
  145    HA   LEU  27           HA       LEU  27  -6.419 -11.451  -0.282
  146   1HB   LEU  27           HB2      LEU  27  -3.590 -11.533   0.358
  147   2HB   LEU  27           HB3      LEU  27  -4.410 -12.987   0.897
  148    HG   LEU  27           HG       LEU  27  -5.069 -13.560  -1.301
  149   1HD1  LEU  27          HD11      LEU  27  -3.935 -11.371  -2.806
  150   2HD1  LEU  27          HD12      LEU  27  -5.547 -12.081  -2.894
  151   3HD1  LEU  27          HD13      LEU  27  -5.207 -10.814  -1.718
  152   1HD2  LEU  27          HD21      LEU  27  -2.439 -13.327  -0.592
  153   2HD2  LEU  27          HD22      LEU  27  -3.044 -14.193  -2.003
  154   3HD2  LEU  27          HD23      LEU  27  -2.484 -12.529  -2.163
  155    H    ASN  28           HN       ASN  28  -5.199 -10.583   2.878
  156    HA   ASN  28           HA       ASN  28  -6.462 -12.729   4.279
  157   1HB   ASN  28           HB2      ASN  28  -4.480 -11.072   4.971
  158   2HB   ASN  28           HB3      ASN  28  -5.822 -10.209   5.724
  159   1HD2  ASN  28          HD21      ASN  28  -3.815 -13.006   5.809
  160   2HD2  ASN  28          HD22      ASN  28  -4.420 -13.656   7.298
  161    H    LEU  29           HN       LEU  29  -7.170  -9.213   4.266
  162    HA   LEU  29           HA       LEU  29  -9.625  -9.452   5.621
  163   1HB   LEU  29           HB2      LEU  29  -8.747  -7.319   3.671
  164   2HB   LEU  29           HB3      LEU  29 -10.099  -7.184   4.782
  165    HG   LEU  29           HG       LEU  29  -7.380  -7.728   5.893
  166   1HD1  LEU  29          HD11      LEU  29  -6.607  -5.950   4.757
  167   2HD1  LEU  29          HD12      LEU  29  -8.213  -5.264   4.506
  168   3HD1  LEU  29          HD13      LEU  29  -7.407  -5.072   6.062
  169   1HD2  LEU  29          HD21      LEU  29  -8.222  -6.790   7.824
  170   2HD2  LEU  29          HD22      LEU  29  -9.464  -5.878   6.968
  171   3HD2  LEU  29          HD23      LEU  29  -9.627  -7.626   7.161
  172    H    GLY  30           HN       GLY  30  -8.808  -9.588   2.201
  173   1HA   GLY  30           HA1      GLY  30 -11.445  -9.456   1.203
  174   2HA   GLY  30           HA2      GLY  30 -10.064 -10.138   0.360
  175    H    ASN  31           HN       ASN  31  -9.642 -12.122   2.566
  176    HA   ASN  31           HA       ASN  31 -11.711 -13.990   1.663
  177   1HB   ASN  31           HB2      ASN  31  -9.766 -15.110   1.260
  178   2HB   ASN  31           HB3      ASN  31  -8.865 -14.184   2.450
  179   1HD2  ASN  31          HD21      ASN  31 -10.808 -16.988   1.867
  180   2HD2  ASN  31          HD22      ASN  31 -10.465 -17.783   3.369
  181    H    ARG  32           HN       ARG  32 -10.845 -12.111   4.338
  182    HA   ARG  32           HA       ARG  32 -12.083 -13.855   6.301
  183   1HB   ARG  32           HB2      ARG  32 -10.007 -12.329   6.637
  184   2HB   ARG  32           HB3      ARG  32 -11.183 -11.039   6.830
  185   1HG   ARG  32           HG2      ARG  32 -12.135 -12.089   8.735
  186   2HG   ARG  32           HG3      ARG  32 -11.191 -13.557   8.475
  187   1HD   ARG  32           HD2      ARG  32  -9.194 -11.795   8.618
  188   2HD   ARG  32           HD3      ARG  32 -10.376 -10.941   9.608
  189    HE   ARG  32           HE       ARG  32 -10.394 -13.506  10.570
  190   1HH1  ARG  32          HH12      ARG  32  -7.963 -10.998  10.181
  191   2HH1  ARG  32          HH11      ARG  32  -6.980 -11.559  11.497
  192   1HH2  ARG  32          HH22      ARG  32  -9.159 -14.220  12.310
  193   2HH2  ARG  32          HH21      ARG  32  -7.678 -13.405  12.730
  194    H    MET  33           HN       MET  33 -13.132 -11.693   4.040
  195    HA   MET  33           HA       MET  33 -15.293 -10.571   5.652
  196   1HB   MET  33           HB2      MET  33 -13.828  -9.562   3.541
  197   2HB   MET  33           HB3      MET  33 -15.343 -10.026   2.775
  198   1HG   MET  33           HG2      MET  33 -16.574  -8.681   4.411
  199   2HG   MET  33           HG3      MET  33 -15.050  -8.200   5.149
  200   1HE   MET  33           HE1      MET  33 -16.705  -7.367   1.092
  201   2HE   MET  33           HE2      MET  33 -17.411  -8.233   2.454
  202   3HE   MET  33           HE3      MET  33 -17.584  -6.479   2.337
  203    H    VAL  34           HN       VAL  34 -17.528 -10.697   4.840
  204    HA   VAL  34           HA       VAL  34 -18.069 -13.203   3.373
  205    HB   VAL  34           HB       VAL  34 -19.623 -12.176   5.765
  206   1HG1  VAL  34          HG11      VAL  34 -20.997 -13.305   4.049
  207   2HG1  VAL  34          HG12      VAL  34 -19.991 -14.739   4.225
  208   3HG1  VAL  34          HG13      VAL  34 -20.954 -14.168   5.587
  209   1HG2  VAL  34          HG21      VAL  34 -18.428 -13.503   7.105
  210   2HG2  VAL  34          HG22      VAL  34 -18.437 -14.834   5.953
  211   3HG2  VAL  34          HG23      VAL  34 -17.238 -13.540   5.804
  212    HA   PRO  35           HA       PRO  35 -18.755 -13.867   1.836
  213   1HB   PRO  35           HB2      PRO  35 -18.936 -13.614  -0.839
  214   2HB   PRO  35           HB3      PRO  35 -20.337 -14.046   0.147
  215   1HG   PRO  35           HG2      PRO  35 -19.592 -11.417  -1.048
  216   2HG   PRO  35           HG3      PRO  35 -21.192 -12.171  -0.911
  217   1HD   PRO  35           HD2      PRO  35 -20.214 -10.209   0.772
  218   2HD   PRO  35           HD3      PRO  35 -21.512 -11.340   1.201
  219    HA   PRO  36           HA       PRO  36 -14.556 -12.720   1.148
  220   1HB   PRO  36           HB2      PRO  36 -14.526 -14.705  -1.089
  221   2HB   PRO  36           HB3      PRO  36 -13.424 -14.539   0.285
  222   1HG   PRO  36           HG2      PRO  36 -15.246 -16.461   0.272
  223   2HG   PRO  36           HG3      PRO  36 -14.910 -15.556   1.763
  224   1HD   PRO  36           HD2      PRO  36 -17.213 -15.295  -0.133
  225   2HD   PRO  36           HD3      PRO  36 -17.201 -15.197   1.637
  226    H    VAL  37           HN       VAL  37 -13.852 -10.980   0.178
  227    HA   VAL  37           HA       VAL  37 -15.097  -9.842  -2.099
  228    HB   VAL  37           HB       VAL  37 -12.384  -8.986  -1.151
  229   1HG1  VAL  37          HG11      VAL  37 -12.824  -7.190  -2.376
  230   2HG1  VAL  37          HG12      VAL  37 -14.329  -7.947  -2.906
  231   3HG1  VAL  37          HG13      VAL  37 -14.316  -6.909  -1.481
  232   1HG2  VAL  37          HG21      VAL  37 -13.836  -7.501   0.458
  233   2HG2  VAL  37          HG22      VAL  37 -14.934  -8.877   0.377
  234   3HG2  VAL  37          HG23      VAL  37 -13.281  -9.102   0.950
  235    H    GLY  38           HN       GLY  38 -11.982 -11.429  -1.581
  236   1HA   GLY  38           HA1      GLY  38 -10.703 -12.609  -3.119
  237   2HA   GLY  38           HA2      GLY  38 -11.861 -12.175  -4.376
  238    H    ASN  39           HN       ASN  39 -11.892  -9.757  -4.865
  239    HA   ASN  39           HA       ASN  39  -9.108  -8.871  -5.161
  240   1HB   ASN  39           HB2      ASN  39  -9.901  -7.493  -7.036
  241   2HB   ASN  39           HB3      ASN  39 -10.313  -9.185  -7.269
  242   1HD2  ASN  39          HD21      ASN  39 -11.448  -6.540  -8.224
  243   2HD2  ASN  39          HD22      ASN  39 -13.146  -6.678  -7.923
  244    H    PHE  40           HN       PHE  40  -9.650  -8.404  -2.780
  245    HA   PHE  40           HA       PHE  40 -11.183  -6.501  -1.662
  246   1HB   PHE  40           HB2      PHE  40  -9.342  -7.889  -0.618
  247   2HB   PHE  40           HB3      PHE  40  -8.209  -6.671  -1.174
  248    HD1  PHE  40           HD1      PHE  40  -7.390  -5.632   0.741
  249    HD2  PHE  40           HD2      PHE  40 -11.571  -6.330   0.357
  250    HE1  PHE  40           HE1      PHE  40  -7.796  -4.338   2.795
  251    HE2  PHE  40           HE2      PHE  40 -11.999  -5.040   2.399
  252    HZ   PHE  40           HZ       PHE  40  -9.984  -4.084   3.678
  253    H    MET  41           HN       MET  41  -7.870  -5.481  -2.396
  254    HA   MET  41           HA       MET  41  -8.943  -2.904  -3.313
  255   1HB   MET  41           HB2      MET  41  -7.299  -3.203  -1.272
  256   2HB   MET  41           HB3      MET  41  -6.085  -3.306  -2.536
  257   1HG   MET  41           HG2      MET  41  -6.530  -1.043  -1.478
  258   2HG   MET  41           HG3      MET  41  -6.437  -1.135  -3.235
  259   1HE   MET  41           HE1      MET  41  -9.719   0.461  -0.696
  260   2HE   MET  41           HE2      MET  41  -8.149  -0.186  -0.222
  261   3HE   MET  41           HE3      MET  41  -8.240   1.284  -1.196
  262    HA   PRO  42           HA       PRO  42  -7.667  -4.234  -7.367
  263   1HB   PRO  42           HB2      PRO  42  -7.624  -1.308  -7.909
  264   2HB   PRO  42           HB3      PRO  42  -8.488  -2.604  -8.746
  265   1HG   PRO  42           HG2      PRO  42  -9.796  -0.925  -7.144
  266   2HG   PRO  42           HG3      PRO  42 -10.214  -2.648  -7.205
  267   1HD   PRO  42           HD2      PRO  42  -8.648  -1.141  -5.149
  268   2HD   PRO  42           HD3      PRO  42  -9.834  -2.448  -4.934
  269    H    ASP  43           HN       ASP  43  -5.799  -4.422  -8.496
  270    HA   ASP  43           HA       ASP  43  -3.345  -3.990  -7.286
  271   1HB   ASP  43           HB2      ASP  43  -4.198  -5.272  -9.536
  272   2HB   ASP  43           HB3      ASP  43  -3.284  -3.937 -10.228
  273    H    SER  44           HN       SER  44  -5.083  -1.938  -9.567
  274    HA   SER  44           HA       SER  44  -3.048  -0.065 -10.069
  275   1HB   SER  44           HB2      SER  44  -5.576   1.243 -10.127
  276   2HB   SER  44           HB3      SER  44  -4.653   0.611 -11.493
  277    HG   SER  44           HG       SER  44  -5.992  -1.009 -11.617
  278    H    ILE  45           HN       ILE  45  -5.580  -0.168  -7.596
  279    HA   ILE  45           HA       ILE  45  -4.911   2.354  -6.443
  280    HB   ILE  45           HB       ILE  45  -6.427   0.081  -5.156
  281   1HG1  ILE  45          HG12      ILE  45  -7.350   0.833  -7.383
  282   2HG1  ILE  45          HG13      ILE  45  -8.450   1.019  -6.022
  283   1HG2  ILE  45          HG21      ILE  45  -6.305   1.424  -3.366
  284   2HG2  ILE  45          HG22      ILE  45  -5.762   2.801  -4.323
  285   3HG2  ILE  45          HG23      ILE  45  -7.485   2.424  -4.214
  286   1HD1  ILE  45          HD11      ILE  45  -8.646   3.184  -6.407
  287   2HD1  ILE  45          HD12      ILE  45  -6.896   3.403  -6.389
  288   3HD1  ILE  45          HD13      ILE  45  -7.710   2.950  -7.882
  289    H    LEU  46           HN       LEU  46  -4.004  -1.000  -5.782
  290    HA   LEU  46           HA       LEU  46  -2.709  -0.527  -3.309
  291   1HB   LEU  46           HB2      LEU  46  -2.192  -2.657  -5.388
  292   2HB   LEU  46           HB3      LEU  46  -1.493  -2.658  -3.783
  293    HG   LEU  46           HG       LEU  46  -4.476  -2.689  -4.216
  294   1HD1  LEU  46          HD11      LEU  46  -3.572  -4.604  -5.378
  295   2HD1  LEU  46          HD12      LEU  46  -2.590  -5.026  -3.977
  296   3HD1  LEU  46          HD13      LEU  46  -4.350  -5.126  -3.884
  297   1HD2  LEU  46          HD21      LEU  46  -4.435  -2.438  -2.003
  298   2HD2  LEU  46          HD22      LEU  46  -3.790  -4.080  -1.922
  299   3HD2  LEU  46          HD23      LEU  46  -2.692  -2.697  -1.929
  300    H    LYS  47           HN       LYS  47  -1.620  -0.343  -6.641
  301    HA   LYS  47           HA       LYS  47   1.136  -0.037  -6.087
  302   1HB   LYS  47           HB2      LYS  47  -0.626   0.466  -8.451
  303   2HB   LYS  47           HB3      LYS  47   1.019   1.091  -8.462
  304   1HG   LYS  47           HG2      LYS  47   1.945  -1.086  -8.287
  305   2HG   LYS  47           HG3      LYS  47   0.370  -1.789  -7.904
  306   1HD   LYS  47           HD2      LYS  47  -0.156  -2.006 -10.060
  307   2HD   LYS  47           HD3      LYS  47   0.316  -0.343 -10.412
  308   1HE   LYS  47           HE2      LYS  47   2.617  -0.994 -10.677
  309   2HE   LYS  47           HE3      LYS  47   2.264  -2.630 -10.129
  310   1HZ   LYS  47           HZ1      LYS  47   1.183  -1.391 -12.604
  311   2HZ   LYS  47           HZ2      LYS  47   0.918  -2.979 -12.074
  312   3HZ   LYS  47           HZ3      LYS  47   2.476  -2.489 -12.536
  313    H    LYS  48           HN       LYS  48  -1.377   2.415  -6.849
  314    HA   LYS  48           HA       LYS  48   0.438   4.580  -6.530
  315   1HB   LYS  48           HB2      LYS  48  -1.689   5.966  -6.388
  316   2HB   LYS  48           HB3      LYS  48  -1.433   5.042  -7.854
  317   1HG   LYS  48           HG2      LYS  48  -3.045   3.435  -7.240
  318   2HG   LYS  48           HG3      LYS  48  -3.140   4.051  -5.592
  319   1HD   LYS  48           HD2      LYS  48  -4.996   5.054  -6.429
  320   2HD   LYS  48           HD3      LYS  48  -3.812   6.280  -6.892
  321   1HE   LYS  48           HE2      LYS  48  -3.668   4.612  -9.018
  322   2HE   LYS  48           HE3      LYS  48  -5.353   4.393  -8.554
  323   1HZ   LYS  48           HZ1      LYS  48  -5.308   6.142 -10.083
  324   2HZ   LYS  48           HZ2      LYS  48  -3.996   6.910  -9.326
  325   3HZ   LYS  48           HZ3      LYS  48  -5.514   6.877  -8.571
  326    H    MET  49           HN       MET  49  -1.874   3.040  -4.346
  327    HA   MET  49           HA       MET  49  -1.614   4.941  -2.273
  328   1HB   MET  49           HB2      MET  49  -3.249   3.749  -1.348
  329   2HB   MET  49           HB3      MET  49  -3.169   2.693  -2.746
  330   1HG   MET  49           HG2      MET  49  -2.272   1.008  -1.580
  331   2HG   MET  49           HG3      MET  49  -1.228   2.076  -0.646
  332   1HE   MET  49           HE1      MET  49  -5.605   1.113   0.114
  333   2HE   MET  49           HE2      MET  49  -4.681   0.924  -1.377
  334   3HE   MET  49           HE3      MET  49  -4.509  -0.256  -0.077
  335    H    ALA  50           HN       ALA  50   0.310   2.165  -3.176
  336    HA   ALA  50           HA       ALA  50   1.781   2.115  -0.704
  337   1HB   ALA  50           HB1      ALA  50   3.383   0.706  -2.184
  338   2HB   ALA  50           HB2      ALA  50   1.801   0.051  -1.759
  339   3HB   ALA  50           HB3      ALA  50   2.067   0.756  -3.355
  340    H    ALA  51           HN       ALA  51   2.062   3.691  -3.796
  341    HA   ALA  51           HA       ALA  51   4.786   4.525  -3.416
  342   1HB   ALA  51           HB1      ALA  51   3.225   6.013  -5.386
  343   2HB   ALA  51           HB2      ALA  51   4.715   5.086  -5.572
  344   3HB   ALA  51           HB3      ALA  51   3.157   4.263  -5.595
  345    H    ILE  52           HN       ILE  52   1.597   6.053  -3.111
  346    HA   ILE  52           HA       ILE  52   2.803   8.590  -2.366
  347    HB   ILE  52           HB       ILE  52   0.012   7.655  -2.884
  348   1HG1  ILE  52          HG12      ILE  52   0.360  10.120  -4.029
  349   2HG1  ILE  52          HG13      ILE  52   1.987   9.454  -4.083
  350   1HG2  ILE  52          HG21      ILE  52   0.672  10.242  -1.489
  351   2HG2  ILE  52          HG22      ILE  52  -0.910   9.785  -2.124
  352   3HG2  ILE  52          HG23      ILE  52  -0.202   8.875  -0.793
  353   1HD1  ILE  52          HD11      ILE  52  -0.477   8.137  -5.203
  354   2HD1  ILE  52          HD12      ILE  52   0.755   8.995  -6.133
  355   3HD1  ILE  52          HD13      ILE  52   1.170   7.510  -5.279
  356    H    LEU  53           HN       LEU  53   1.115   5.924  -0.850
  357    HA   LEU  53           HA       LEU  53   0.645   5.399   1.297
  358   1HB   LEU  53           HB2      LEU  53   3.319   6.662   1.380
  359   2HB   LEU  53           HB3      LEU  53   2.508   6.433   2.912
  360    HG   LEU  53           HG       LEU  53   2.996   4.210   0.937
  361   1HD1  LEU  53          HD11      LEU  53   5.013   3.779   1.841
  362   2HD1  LEU  53          HD12      LEU  53   4.979   5.489   2.266
  363   3HD1  LEU  53          HD13      LEU  53   4.517   4.273   3.458
  364   1HD2  LEU  53          HD21      LEU  53   1.145   3.751   2.398
  365   2HD2  LEU  53          HD22      LEU  53   2.533   2.790   2.915
  366   3HD2  LEU  53          HD23      LEU  53   2.084   4.241   3.810
  367    HA   PRO  54           HA       PRO  54  -1.232   9.540   2.249
  368   1HB   PRO  54           HB2      PRO  54  -3.809   8.352   1.746
  369   2HB   PRO  54           HB3      PRO  54  -3.005   9.652   0.866
  370   1HG   PRO  54           HG2      PRO  54  -3.474   7.171  -0.190
  371   2HG   PRO  54           HG3      PRO  54  -2.154   8.226  -0.715
  372   1HD   PRO  54           HD2      PRO  54  -2.080   5.907   1.180
  373   2HD   PRO  54           HD3      PRO  54  -0.931   6.351  -0.102
  374    H    MET  55           HN       MET  55  -1.081   9.647   4.408
  375    HA   MET  55           HA       MET  55  -2.085   7.589   6.136
  376   1HB   MET  55           HB2      MET  55  -0.839  10.285   6.601
  377   2HB   MET  55           HB3      MET  55  -1.467   9.323   7.933
  378   1HG   MET  55           HG2      MET  55   0.028   7.457   6.895
  379   2HG   MET  55           HG3      MET  55   0.874   8.822   6.170
  380   1HE   MET  55           HE1      MET  55  -1.048   8.200   9.249
  381   2HE   MET  55           HE2      MET  55   0.184   7.462  10.276
  382   3HE   MET  55           HE3      MET  55  -0.206   9.175  10.454
  383    H    ASN  56           HN       ASN  56  -3.490  10.409   4.756
  384    HA   ASN  56           HA       ASN  56  -5.849   9.966   6.405
  385   1HB   ASN  56           HB2      ASN  56  -6.154  12.456   6.658
  386   2HB   ASN  56           HB3      ASN  56  -4.823  11.768   7.591
  387   1HD2  ASN  56          HD21      ASN  56  -2.819  12.514   7.272
  388   2HD2  ASN  56          HD22      ASN  56  -2.379  13.702   6.090
  389    H    ASP  57           HN       ASP  57  -7.720  11.394   5.570
  390    HA   ASP  57           HA       ASP  57  -8.318  10.594   2.963
  391   1HB   ASP  57           HB2      ASP  57  -9.777  11.549   5.023
  392   2HB   ASP  57           HB3      ASP  57  -9.745  12.979   3.994
  393    H    SER  58           HN       SER  58  -7.086  13.696   4.146
  394    HA   SER  58           HA       SER  58  -7.346  15.107   1.710
  395   1HB   SER  58           HB2      SER  58  -5.133  16.127   3.188
  396   2HB   SER  58           HB3      SER  58  -6.770  16.783   3.077
  397    HG   SER  58           HG       SER  58  -5.649  15.076   5.012
  398    H    ALA  59           HN       ALA  59  -4.774  13.159   3.104
  399    HA   ALA  59           HA       ALA  59  -2.807  13.677   1.126
  400   1HB   ALA  59           HB1      ALA  59  -1.555  12.594   2.607
  401   2HB   ALA  59           HB2      ALA  59  -3.003  12.169   3.522
  402   3HB   ALA  59           HB3      ALA  59  -2.414  11.096   2.248
  403    H    PHE  60           HN       PHE  60  -5.548  11.601   1.304
  404    HA   PHE  60           HA       PHE  60  -4.833   9.692  -0.640
  405   1HB   PHE  60           HB2      PHE  60  -7.326  10.507   0.739
  406   2HB   PHE  60           HB3      PHE  60  -7.528   9.672  -0.802
  407    HD1  PHE  60           HD1      PHE  60  -7.581   9.094   2.530
  408    HD2  PHE  60           HD2      PHE  60  -5.619   7.678  -0.962
  409    HE1  PHE  60           HE1      PHE  60  -7.160   6.937   3.639
  410    HE2  PHE  60           HE2      PHE  60  -5.201   5.532   0.136
  411    HZ   PHE  60           HZ       PHE  60  -5.971   5.151   2.417
  412    H    ALA  61           HN       ALA  61  -5.843  12.968  -0.922
  413    HA   ALA  61           HA       ALA  61  -7.093  13.024  -3.399
  414   1HB   ALA  61           HB1      ALA  61  -5.242  15.237  -2.899
  415   2HB   ALA  61           HB2      ALA  61  -6.981  15.255  -3.203
  416   3HB   ALA  61           HB3      ALA  61  -6.366  14.887  -1.589
  417    H    THR  62           HN       THR  62  -3.698  12.576  -2.690
  418    HA   THR  62           HA       THR  62  -2.777  13.184  -5.336
  419    HB   THR  62           HB       THR  62  -0.892  11.592  -4.099
  420    HG1  THR  62           HG1      THR  62  -1.702  11.786  -2.068
  421   1HG2  THR  62          HG21      THR  62  -1.082  14.594  -4.174
  422   2HG2  THR  62          HG22      THR  62  -0.559  13.582  -5.521
  423   3HG2  THR  62          HG23      THR  62   0.395  13.633  -4.040
  424    H    LEU  63           HN       LEU  63  -4.598  10.681  -4.273
  425    HA   LEU  63           HA       LEU  63  -3.317   8.579  -5.840
  426   1HB   LEU  63           HB2      LEU  63  -5.828   8.723  -4.184
  427   2HB   LEU  63           HB3      LEU  63  -5.497   7.358  -5.230
  428    HG   LEU  63           HG       LEU  63  -4.143   8.167  -2.690
  429   1HD1  LEU  63          HD11      LEU  63  -4.853   6.167  -1.944
  430   2HD1  LEU  63          HD12      LEU  63  -6.038   6.343  -3.237
  431   3HD1  LEU  63          HD13      LEU  63  -4.588   5.370  -3.492
  432   1HD2  LEU  63          HD21      LEU  63  -2.931   6.530  -4.901
  433   2HD2  LEU  63          HD22      LEU  63  -2.250   7.941  -4.084
  434   3HD2  LEU  63          HD23      LEU  63  -2.426   6.417  -3.211
  435    H    GLY  64           HN       GLY  64  -4.772  11.254  -6.672
  436   1HA   GLY  64           HA1      GLY  64  -5.608  11.839  -8.773
  437   2HA   GLY  64           HA2      GLY  64  -5.906  10.129  -9.102
  438    H    THR  65           HN       THR  65  -7.705   9.105  -7.981
  439    HA   THR  65           HA       THR  65  -9.676  10.669  -6.633
  440    HB   THR  65           HB       THR  65 -11.220   9.691  -8.743
  441    HG1  THR  65           HG1      THR  65  -8.819  10.317  -9.657
  442   1HG2  THR  65          HG21      THR  65 -11.689  11.631  -7.292
  443   2HG2  THR  65          HG22      THR  65 -11.895  11.990  -9.005
  444   3HG2  THR  65          HG23      THR  65 -10.451  12.544  -8.159
  445    H    VAL  66           HN       VAL  66 -10.217   9.214  -5.115
  446    HA   VAL  66           HA       VAL  66 -10.596   6.433  -5.990
  447    HB   VAL  66           HB       VAL  66 -10.407   5.826  -3.553
  448   1HG1  VAL  66          HG11      VAL  66  -7.826   6.484  -3.599
  449   2HG1  VAL  66          HG12      VAL  66  -8.512   5.246  -4.647
  450   3HG1  VAL  66          HG13      VAL  66  -8.230   6.868  -5.276
  451   1HG2  VAL  66          HG21      VAL  66 -10.511   8.592  -3.174
  452   2HG2  VAL  66          HG22      VAL  66 -10.184   7.353  -1.957
  453   3HG2  VAL  66          HG23      VAL  66  -8.846   8.134  -2.806
  454    H    GLU  67           HN       GLU  67 -12.609   5.881  -6.298
  455    HA   GLU  67           HA       GLU  67 -14.847   7.366  -5.621
  456   1HB   GLU  67           HB2      GLU  67 -14.343   4.625  -6.626
  457   2HB   GLU  67           HB3      GLU  67 -15.951   4.997  -6.043
  458   1HG   GLU  67           HG2      GLU  67 -16.267   6.624  -7.661
  459   2HG   GLU  67           HG3      GLU  67 -14.558   6.728  -8.041
  460    H    ASP  68           HN       ASP  68 -16.681   6.709  -4.251
  461    HA   ASP  68           HA       ASP  68 -15.963   6.414  -1.561
  462   1HB   ASP  68           HB2      ASP  68 -18.080   7.194  -1.473
  463   2HB   ASP  68           HB3      ASP  68 -18.420   6.634  -3.106
  464    H    LYS  69           HN       LYS  69 -16.878   4.043  -3.983
  465    HA   LYS  69           HA       LYS  69 -17.177   1.830  -2.286
  466   1HB   LYS  69           HB2      LYS  69 -17.036   0.456  -4.243
  467   2HB   LYS  69           HB3      LYS  69 -17.919   1.917  -4.654
  468   1HG   LYS  69           HG2      LYS  69 -15.439   2.665  -5.347
  469   2HG   LYS  69           HG3      LYS  69 -15.333   0.931  -5.642
  470   1HD   LYS  69           HD2      LYS  69 -17.804   1.741  -6.686
  471   2HD   LYS  69           HD3      LYS  69 -16.643   2.975  -7.174
  472   1HE   LYS  69           HE2      LYS  69 -15.211   0.768  -7.706
  473   2HE   LYS  69           HE3      LYS  69 -16.839   0.133  -7.954
  474   1HZ   LYS  69           HZ1      LYS  69 -15.401   1.477  -9.796
  475   2HZ   LYS  69           HZ2      LYS  69 -16.379   2.711  -9.162
  476   3HZ   LYS  69           HZ3      LYS  69 -17.089   1.317  -9.821
  477    H    TYR  70           HN       TYR  70 -14.368   3.460  -3.458
  478    HA   TYR  70           HA       TYR  70 -12.567   1.283  -2.783
  479   1HB   TYR  70           HB2      TYR  70 -12.092   4.099  -3.768
  480   2HB   TYR  70           HB3      TYR  70 -10.800   2.955  -3.425
  481    HD1  TYR  70           HD1      TYR  70 -12.662   4.340  -5.979
  482    HD2  TYR  70           HD2      TYR  70 -11.253   0.565  -4.617
  483    HE1  TYR  70           HE1      TYR  70 -12.816   3.460  -8.264
  484    HE2  TYR  70           HE2      TYR  70 -11.404  -0.324  -6.903
  485    HH   TYR  70           HH       TYR  70 -12.715   1.657  -9.540
  486    H    ARG  71           HN       ARG  71 -13.661   4.353  -1.466
  487    HA   ARG  71           HA       ARG  71 -11.693   4.658   0.527
  488   1HB   ARG  71           HB2      ARG  71 -14.542   5.677   0.494
  489   2HB   ARG  71           HB3      ARG  71 -13.305   6.168   1.642
  490   1HG   ARG  71           HG2      ARG  71 -12.843   6.474  -1.286
  491   2HG   ARG  71           HG3      ARG  71 -13.780   7.672  -0.385
  492   1HD   ARG  71           HD2      ARG  71 -11.380   7.000   1.040
  493   2HD   ARG  71           HD3      ARG  71 -10.971   7.472  -0.606
  494    HE   ARG  71           HE       ARG  71 -11.636   9.201   1.491
  495   1HH1  ARG  71          HH12      ARG  71 -12.517   8.793  -1.907
  496   2HH1  ARG  71          HH11      ARG  71 -12.894  10.473  -2.121
  497   1HH2  ARG  71          HH22      ARG  71 -12.157  11.390   1.184
  498   2HH2  ARG  71          HH21      ARG  71 -12.734  11.924  -0.370
  499    H    ARG  72           HN       ARG  72 -14.703   2.825   0.459
  500    HA   ARG  72           HA       ARG  72 -14.942   2.327   3.205
  501   1HB   ARG  72           HB2      ARG  72 -15.624   0.346   1.049
  502   2HB   ARG  72           HB3      ARG  72 -16.283   0.405   2.678
  503   1HG   ARG  72           HG2      ARG  72 -17.776   1.981   2.149
  504   2HG   ARG  72           HG3      ARG  72 -16.657   2.840   1.083
  505   1HD   ARG  72           HD2      ARG  72 -16.931   1.077  -0.589
  506   2HD   ARG  72           HD3      ARG  72 -18.111   0.282   0.449
  507    HE   ARG  72           HE       ARG  72 -18.621   3.043  -0.422
  508   1HH1  ARG  72          HH12      ARG  72 -19.399  -0.373  -0.661
  509   2HH1  ARG  72          HH11      ARG  72 -21.002  -0.096  -1.280
  510   1HH2  ARG  72          HH22      ARG  72 -20.709   3.409  -1.266
  511   2HH2  ARG  72          HH21      ARG  72 -21.754   2.056  -1.608
  512    H    ARG  73           HN       ARG  73 -13.062   0.644   0.718
  513    HA   ARG  73           HA       ARG  73 -12.159  -1.334   2.612
  514   1HB   ARG  73           HB2      ARG  73 -11.438  -0.738  -0.250
  515   2HB   ARG  73           HB3      ARG  73 -10.555  -1.921   0.703
  516   1HG   ARG  73           HG2      ARG  73 -12.072  -3.255  -0.362
  517   2HG   ARG  73           HG3      ARG  73 -12.914  -2.924   1.153
  518   1HD   ARG  73           HD2      ARG  73 -14.169  -1.125   0.063
  519   2HD   ARG  73           HD3      ARG  73 -13.332  -1.473  -1.458
  520    HE   ARG  73           HE       ARG  73 -15.445  -3.048  -0.209
  521   1HH1  ARG  73          HH12      ARG  73 -12.953  -2.887  -2.672
  522   2HH1  ARG  73          HH11      ARG  73 -13.697  -4.077  -3.689
  523   1HH2  ARG  73          HH22      ARG  73 -16.423  -4.611  -1.550
  524   2HH2  ARG  73          HH21      ARG  73 -15.676  -5.047  -3.055
  525    H    PHE  74           HN       PHE  74 -11.422   1.817   2.013
  526    HA   PHE  74           HA       PHE  74  -8.575   1.689   2.413
  527   1HB   PHE  74           HB2      PHE  74 -10.590   3.787   1.961
  528   2HB   PHE  74           HB3      PHE  74  -9.237   4.268   2.984
  529    HD1  PHE  74           HD1      PHE  74 -10.117   5.056   0.080
  530    HD2  PHE  74           HD2      PHE  74  -7.104   2.524   1.689
  531    HE1  PHE  74           HE1      PHE  74  -8.768   5.410  -1.928
  532    HE2  PHE  74           HE2      PHE  74  -5.732   2.878  -0.336
  533    HZ   PHE  74           HZ       PHE  74  -6.456   4.247  -2.073
  534    H    LYS  75           HN       LYS  75 -11.403   2.118   4.420
  535    HA   LYS  75           HA       LYS  75 -10.080   2.973   6.764
  536   1HB   LYS  75           HB2      LYS  75 -12.100   2.560   7.909
  537   2HB   LYS  75           HB3      LYS  75 -12.581   3.039   6.286
  538   1HG   LYS  75           HG2      LYS  75 -12.899   0.661   5.712
  539   2HG   LYS  75           HG3      LYS  75 -12.502   0.240   7.388
  540   1HD   LYS  75           HD2      LYS  75 -14.418   2.176   7.692
  541   2HD   LYS  75           HD3      LYS  75 -14.974   1.305   6.258
  542   1HE   LYS  75           HE2      LYS  75 -14.727  -0.815   7.521
  543   2HE   LYS  75           HE3      LYS  75 -14.323   0.127   8.957
  544   1HZ   LYS  75           HZ1      LYS  75 -16.890   0.226   7.458
  545   2HZ   LYS  75           HZ2      LYS  75 -16.508   1.183   8.805
  546   3HZ   LYS  75           HZ3      LYS  75 -16.638  -0.501   8.970
  547    H    TYR  76           HN       TYR  76 -10.315  -0.087   5.196
  548    HA   TYR  76           HA       TYR  76  -9.550  -1.602   7.555
  549   1HB   TYR  76           HB2      TYR  76  -9.726  -2.539   4.682
  550   2HB   TYR  76           HB3      TYR  76  -9.591  -3.551   6.107
  551    HD1  TYR  76           HD1      TYR  76 -11.761  -2.457   3.692
  552    HD2  TYR  76           HD2      TYR  76 -11.604  -3.026   7.903
  553    HE1  TYR  76           HE1      TYR  76 -14.214  -2.603   3.752
  554    HE2  TYR  76           HE2      TYR  76 -14.062  -3.173   7.976
  555    HH   TYR  76           HH       TYR  76 -16.004  -3.254   5.056
  556    H    PHE  77           HN       PHE  77  -7.971   0.292   5.295
  557    HA   PHE  77           HA       PHE  77  -5.475  -1.268   5.489
  558   1HB   PHE  77           HB2      PHE  77  -6.668   0.437   3.371
  559   2HB   PHE  77           HB3      PHE  77  -4.922   0.518   3.553
  560    HD1  PHE  77           HD1      PHE  77  -7.170  -0.800   1.510
  561    HD2  PHE  77           HD2      PHE  77  -4.128  -2.172   4.146
  562    HE1  PHE  77           HE1      PHE  77  -6.943  -2.852   0.173
  563    HE2  PHE  77           HE2      PHE  77  -3.900  -4.225   2.817
  564    HZ   PHE  77           HZ       PHE  77  -5.322  -4.565   0.817
  565    H    LYS  78           HN       LYS  78  -6.987   1.643   6.460
  566    HA   LYS  78           HA       LYS  78  -4.974   3.506   6.468
  567   1HB   LYS  78           HB2      LYS  78  -7.287   3.024   8.297
  568   2HB   LYS  78           HB3      LYS  78  -6.139   4.305   8.665
  569   1HG   LYS  78           HG2      LYS  78  -7.026   4.353   5.890
  570   2HG   LYS  78           HG3      LYS  78  -8.351   4.525   7.046
  571   1HD   LYS  78           HD2      LYS  78  -6.114   6.136   7.863
  572   2HD   LYS  78           HD3      LYS  78  -6.548   6.501   6.187
  573   1HE   LYS  78           HE2      LYS  78  -8.142   7.803   7.028
  574   2HE   LYS  78           HE3      LYS  78  -8.975   6.321   7.488
  575   1HZ   LYS  78           HZ1      LYS  78  -8.501   8.109   9.267
  576   2HZ   LYS  78           HZ2      LYS  78  -6.931   7.473   9.267
  577   3HZ   LYS  78           HZ3      LYS  78  -8.252   6.476   9.650
  578    H    ALA  79           HN       ALA  79  -5.368   0.854   8.766
  579    HA   ALA  79           HA       ALA  79  -3.413   1.798  10.602
  580   1HB   ALA  79           HB1      ALA  79  -3.369  -0.750  11.182
  581   2HB   ALA  79           HB2      ALA  79  -4.796   0.216  11.544
  582   3HB   ALA  79           HB3      ALA  79  -4.769  -0.818  10.113
  583    H    THR  80           HN       THR  80  -3.311  -0.183   7.723
  584    HA   THR  80           HA       THR  80  -0.571  -0.952   8.025
  585    HB   THR  80           HB       THR  80  -1.795  -1.077   5.342
  586    HG1  THR  80           HG1      THR  80  -3.470  -2.347   5.921
  587   1HG2  THR  80          HG21      THR  80  -0.068  -2.684   7.106
  588   2HG2  THR  80          HG22      THR  80  -0.059  -2.526   5.349
  589   3HG2  THR  80          HG23      THR  80  -1.203  -3.619   6.131
  590    H    ILE  81           HN       ILE  81  -2.350   1.414   6.072
  591    HA   ILE  81           HA       ILE  81  -0.182   2.364   4.554
  592    HB   ILE  81           HB       ILE  81  -2.533   4.082   5.410
  593   1HG1  ILE  81          HG12      ILE  81  -2.507   2.438   2.900
  594   2HG1  ILE  81          HG13      ILE  81  -3.083   1.730   4.404
  595   1HG2  ILE  81          HG21      ILE  81  -0.319   4.486   3.665
  596   2HG2  ILE  81          HG22      ILE  81  -1.794   4.423   2.690
  597   3HG2  ILE  81          HG23      ILE  81  -1.655   5.577   4.017
  598   1HD1  ILE  81          HD11      ILE  81  -4.822   3.375   4.574
  599   2HD1  ILE  81          HD12      ILE  81  -4.179   4.250   3.183
  600   3HD1  ILE  81          HD13      ILE  81  -4.880   2.643   2.967
  601    H    ALA  82           HN       ALA  82  -1.392   3.244   7.732
  602    HA   ALA  82           HA       ALA  82   0.253   5.524   8.101
  603   1HB   ALA  82           HB1      ALA  82  -0.491   5.559  10.299
  604   2HB   ALA  82           HB2      ALA  82  -1.823   4.789   9.439
  605   3HB   ALA  82           HB3      ALA  82  -0.693   3.808  10.373
  606    H    ASP  83           HN       ASP  83   0.631   2.118   8.928
  607    HA   ASP  83           HA       ASP  83   3.069   2.309  10.350
  608   1HB   ASP  83           HB2      ASP  83   1.395   0.345  10.208
  609   2HB   ASP  83           HB3      ASP  83   2.221  -0.079   8.716
  610    H    LEU  84           HN       LEU  84   2.417   1.428   6.954
  611    HA   LEU  84           HA       LEU  84   5.141   1.203   6.289
  612   1HB   LEU  84           HB2      LEU  84   2.726   1.662   4.561
  613   2HB   LEU  84           HB3      LEU  84   4.331   1.322   3.937
  614    HG   LEU  84           HG       LEU  84   3.171  -0.582   5.914
  615   1HD1  LEU  84          HD11      LEU  84   2.047  -1.812   4.134
  616   2HD1  LEU  84          HD12      LEU  84   1.321  -0.224   4.375
  617   3HD1  LEU  84          HD13      LEU  84   2.395  -0.496   3.007
  618   1HD2  LEU  84          HD21      LEU  84   4.981  -0.740   3.515
  619   2HD2  LEU  84          HD22      LEU  84   5.407  -0.977   5.210
  620   3HD2  LEU  84          HD23      LEU  84   4.394  -2.161   4.383
  621    H    SER  85           HN       SER  85   3.013   3.960   6.463
  622    HA   SER  85           HA       SER  85   4.685   5.706   4.928
  623   1HB   SER  85           HB2      SER  85   2.174   5.980   5.534
  624   2HB   SER  85           HB3      SER  85   2.787   6.697   7.020
  625    HG   SER  85           HG       SER  85   2.550   7.814   4.610
  626    H    LYS  86           HN       LYS  86   4.451   4.690   8.252
  627    HA   LYS  86           HA       LYS  86   6.232   6.681   9.321
  628   1HB   LYS  86           HB2      LYS  86   4.483   4.886  10.464
  629   2HB   LYS  86           HB3      LYS  86   6.030   4.107  10.756
  630   1HG   LYS  86           HG2      LYS  86   6.791   6.355  11.691
  631   2HG   LYS  86           HG3      LYS  86   5.079   6.775  11.709
  632   1HD   LYS  86           HD2      LYS  86   5.426   4.177  12.836
  633   2HD   LYS  86           HD3      LYS  86   6.525   5.307  13.628
  634   1HE   LYS  86           HE2      LYS  86   4.695   6.773  14.169
  635   2HE   LYS  86           HE3      LYS  86   3.581   5.786  13.221
  636   1HZ   LYS  86           HZ1      LYS  86   4.038   3.942  14.753
  637   2HZ   LYS  86           HZ2      LYS  86   3.315   5.273  15.518
  638   3HZ   LYS  86           HZ3      LYS  86   4.980   4.984  15.704
  639    H    LYS  87           HN       LYS  87   6.485   3.550   7.838
  640    HA   LYS  87           HA       LYS  87   9.172   3.009   8.571
  641   1HB   LYS  87           HB2      LYS  87   7.604   1.977   6.205
  642   2HB   LYS  87           HB3      LYS  87   9.076   1.272   6.860
  643   1HG   LYS  87           HG2      LYS  87   7.161   1.470   8.968
  644   2HG   LYS  87           HG3      LYS  87   6.388   0.725   7.569
  645   1HD   LYS  87           HD2      LYS  87   9.007  -0.154   8.781
  646   2HD   LYS  87           HD3      LYS  87   7.449  -0.936   9.047
  647   1HE   LYS  87           HE2      LYS  87   7.476  -1.955   7.039
  648   2HE   LYS  87           HE3      LYS  87   8.157  -0.547   6.226
  649   1HZ   LYS  87           HZ1      LYS  87   9.807  -2.228   8.005
  650   2HZ   LYS  87           HZ2      LYS  87  10.311  -1.162   6.784
  651   3HZ   LYS  87           HZ3      LYS  87   9.571  -2.635   6.377
  652    H    ARG  88           HN       ARG  88   7.612   4.788   6.000
  653    HA   ARG  88           HA       ARG  88   9.808   5.082   4.261
  654   1HB   ARG  88           HB2      ARG  88   7.642   5.639   3.458
  655   2HB   ARG  88           HB3      ARG  88   7.346   6.750   4.781
  656   1HG   ARG  88           HG2      ARG  88   7.893   8.352   3.341
  657   2HG   ARG  88           HG3      ARG  88   9.561   7.834   3.591
  658   1HD   ARG  88           HD2      ARG  88   7.916   6.417   1.548
  659   2HD   ARG  88           HD3      ARG  88   8.538   8.025   1.176
  660    HE   ARG  88           HE       ARG  88  10.783   7.046   1.737
  661   1HH1  ARG  88          HH12      ARG  88   8.146   5.154   0.442
  662   2HH1  ARG  88          HH11      ARG  88   9.178   3.878  -0.115
  663   1HH2  ARG  88          HH22      ARG  88  12.146   5.449   0.892
  664   2HH2  ARG  88          HH21      ARG  88  11.470   4.057   0.118
  665    H    SER  89           HN       SER  89  11.201   6.951   4.004
  666    HA   SER  89           HA       SER  89  12.542   8.651   4.633
  667   1HB   SER  89           HB2      SER  89  11.070   8.883   7.244
  668   2HB   SER  89           HB3      SER  89  12.045  10.091   6.422
  669    HG   SER  89           HG       SER  89  10.372   9.803   4.665
  670    H    SER  90           HN       SER  90  12.044   5.807   6.325
  671    HA   SER  90           HA       SER  90  14.569   6.083   7.806
  672   1HB   SER  90           HB2      SER  90  12.948   3.677   8.323
  673   2HB   SER  90           HB3      SER  90  13.701   4.799   9.458
  674    HG   SER  90           HG       SER  90  11.184   4.988   8.166
  675    H    GLU  91           HN       GLU  91  12.968   4.531   5.207
  676    HA   GLU  91           HA       GLU  91  15.357   2.891   4.719
  677   1HB   GLU  91           HB2      GLU  91  12.919   1.950   3.406
  678   2HB   GLU  91           HB3      GLU  91  14.137   1.045   4.294
  679   1HG   GLU  91           HG2      GLU  91  13.051   1.934   6.408
  680   2HG   GLU  91           HG3      GLU  91  11.730   2.478   5.375
  Start of MODEL    6
    1    H    GLU  11           HN       GLU  11  19.875  -0.921  -2.058
    2    HA   GLU  11           HA       GLU  11  17.710  -1.617  -3.843
    3   1HB   GLU  11           HB2      GLU  11  18.960  -3.132  -2.132
    4   2HB   GLU  11           HB3      GLU  11  17.878  -2.414  -0.949
    5   1HG   GLU  11           HG2      GLU  11  17.051  -4.561  -1.741
    6   2HG   GLU  11           HG3      GLU  11  15.950  -3.250  -2.165
    7    H    LEU  12           HN       LEU  12  17.098   0.703  -3.848
    8    HA   LEU  12           HA       LEU  12  15.646   1.696  -1.556
    9   1HB   LEU  12           HB2      LEU  12  16.230   2.792  -4.287
   10   2HB   LEU  12           HB3      LEU  12  15.092   3.579  -3.207
   11    HG   LEU  12           HG       LEU  12  17.970   3.039  -2.482
   12   1HD1  LEU  12          HD11      LEU  12  18.535   5.192  -3.131
   13   2HD1  LEU  12          HD12      LEU  12  17.505   4.633  -4.451
   14   3HD1  LEU  12          HD13      LEU  12  16.854   5.713  -3.219
   15   1HD2  LEU  12          HD21      LEU  12  15.727   3.758  -0.957
   16   2HD2  LEU  12          HD22      LEU  12  17.419   3.766  -0.458
   17   3HD2  LEU  12          HD23      LEU  12  16.693   5.223  -1.138
   18    H    ASN  13           HN       ASN  13  14.877  -0.613  -3.614
   19    HA   ASN  13           HA       ASN  13  12.271   0.188  -4.513
   20   1HB   ASN  13           HB2      ASN  13  13.757  -1.526  -5.627
   21   2HB   ASN  13           HB3      ASN  13  13.348  -2.624  -4.312
   22   1HD2  ASN  13          HD21      ASN  13  12.370  -4.066  -5.723
   23   2HD2  ASN  13          HD22      ASN  13  10.829  -3.741  -6.454
   24    H    ASN  14           HN       ASN  14  12.126   0.839  -2.010
   25    HA   ASN  14           HA       ASN  14  11.214  -1.272  -0.299
   26   1HB   ASN  14           HB2      ASN  14  11.694   0.246   1.268
   27   2HB   ASN  14           HB3      ASN  14  12.044   1.429   0.010
   28   1HD2  ASN  14          HD21      ASN  14   9.837   0.376   2.414
   29   2HD2  ASN  14          HD22      ASN  14   8.704   1.677   2.276
   30    H    LEU  15           HN       LEU  15   9.833   0.593  -2.758
   31    HA   LEU  15           HA       LEU  15   7.180   0.895  -1.942
   32   1HB   LEU  15           HB2      LEU  15   8.625   1.467  -4.188
   33   2HB   LEU  15           HB3      LEU  15   7.607   0.159  -4.757
   34    HG   LEU  15           HG       LEU  15   6.301   2.404  -3.306
   35   1HD1  LEU  15          HD11      LEU  15   8.041   3.201  -5.106
   36   2HD1  LEU  15          HD12      LEU  15   6.778   2.699  -6.230
   37   3HD1  LEU  15          HD13      LEU  15   6.437   3.924  -5.006
   38   1HD2  LEU  15          HD21      LEU  15   4.527   1.922  -4.933
   39   2HD2  LEU  15          HD22      LEU  15   5.552   0.697  -5.681
   40   3HD2  LEU  15          HD23      LEU  15   4.991   0.488  -4.018
   41    H    ARG  16           HN       ARG  16   8.950  -1.825  -3.203
   42    HA   ARG  16           HA       ARG  16   6.779  -3.521  -3.797
   43   1HB   ARG  16           HB2      ARG  16   8.659  -4.381  -4.747
   44   2HB   ARG  16           HB3      ARG  16   9.704  -3.773  -3.472
   45   1HG   ARG  16           HG2      ARG  16   9.926  -5.958  -2.991
   46   2HG   ARG  16           HG3      ARG  16   8.411  -5.710  -2.120
   47   1HD   ARG  16           HD2      ARG  16   7.152  -6.513  -4.031
   48   2HD   ARG  16           HD3      ARG  16   8.632  -6.663  -4.976
   49    HE   ARG  16           HE       ARG  16   9.307  -8.475  -3.565
   50   1HH1  ARG  16          HH12      ARG  16   5.968  -7.450  -3.142
   51   2HH1  ARG  16          HH11      ARG  16   5.482  -8.929  -2.363
   52   1HH2  ARG  16          HH22      ARG  16   8.657 -10.417  -2.571
   53   2HH2  ARG  16          HH21      ARG  16   7.006 -10.630  -2.066
   54    H    MET  17           HN       MET  17   8.606  -2.921  -0.837
   55    HA   MET  17           HA       MET  17   7.544  -5.036   0.702
   56   1HB   MET  17           HB2      MET  17   9.308  -2.851   1.100
   57   2HB   MET  17           HB3      MET  17   8.069  -2.734   2.341
   58   1HG   MET  17           HG2      MET  17   9.312  -4.161   3.488
   59   2HG   MET  17           HG3      MET  17   8.727  -5.395   2.371
   60   1HE   MET  17           HE1      MET  17  11.459  -6.863   0.883
   61   2HE   MET  17           HE2      MET  17  11.589  -6.914   2.641
   62   3HE   MET  17           HE3      MET  17  10.001  -6.921   1.879
   63    H    THR  18           HN       THR  18   6.538  -1.689   0.222
   64    HA   THR  18           HA       THR  18   4.370  -1.662   2.022
   65    HB   THR  18           HB       THR  18   4.580  -0.062  -0.536
   66    HG1  THR  18           HG1      THR  18   5.925   1.323   0.539
   67   1HG2  THR  18          HG21      THR  18   3.436   1.655   0.870
   68   2HG2  THR  18          HG22      THR  18   3.235   0.420   2.112
   69   3HG2  THR  18          HG23      THR  18   2.461   0.224   0.538
   70    H    TYR  19           HN       TYR  19   4.499  -2.216  -1.470
   71    HA   TYR  19           HA       TYR  19   1.779  -2.684  -1.912
   72   1HB   TYR  19           HB2      TYR  19   3.353  -2.248  -3.724
   73   2HB   TYR  19           HB3      TYR  19   4.202  -3.751  -3.382
   74    HD1  TYR  19           HD1      TYR  19   1.090  -2.307  -4.754
   75    HD2  TYR  19           HD2      TYR  19   3.389  -5.835  -4.179
   76    HE1  TYR  19           HE1      TYR  19  -0.350  -3.499  -6.359
   77    HE2  TYR  19           HE2      TYR  19   1.965  -7.038  -5.771
   78    HH   TYR  19           HH       TYR  19   0.057  -6.981  -6.926
   79    H    GLU  20           HN       GLU  20   4.352  -4.842  -0.855
   80    HA   GLU  20           HA       GLU  20   2.982  -7.266  -1.214
   81   1HB   GLU  20           HB2      GLU  20   5.305  -7.437  -1.039
   82   2HB   GLU  20           HB3      GLU  20   5.380  -6.358   0.346
   83   1HG   GLU  20           HG2      GLU  20   5.843  -8.430   1.244
   84   2HG   GLU  20           HG3      GLU  20   4.131  -8.174   1.584
   85    H    ARG  21           HN       ARG  21   3.468  -5.249   1.714
   86    HA   ARG  21           HA       ARG  21   1.974  -6.905   3.436
   87   1HB   ARG  21           HB2      ARG  21   3.534  -4.782   3.867
   88   2HB   ARG  21           HB3      ARG  21   1.973  -3.968   3.917
   89   1HG   ARG  21           HG2      ARG  21   2.309  -4.510   6.129
   90   2HG   ARG  21           HG3      ARG  21   1.326  -5.864   5.568
   91   1HD   ARG  21           HD2      ARG  21   4.276  -6.111   5.348
   92   2HD   ARG  21           HD3      ARG  21   3.575  -6.204   6.961
   93    HE   ARG  21           HE       ARG  21   2.209  -8.073   6.121
   94   1HH1  ARG  21          HH12      ARG  21   5.104  -7.164   4.369
   95   2HH1  ARG  21          HH11      ARG  21   5.345  -8.739   3.682
   96   1HH2  ARG  21          HH22      ARG  21   2.544 -10.187   5.243
   97   2HH2  ARG  21          HH21      ARG  21   3.894 -10.456   4.175
   98    H    LEU  22           HN       LEU  22   1.035  -4.404   1.205
   99    HA   LEU  22           HA       LEU  22  -1.676  -4.122   2.102
  100   1HB   LEU  22           HB2      LEU  22  -0.092  -3.282  -0.288
  101   2HB   LEU  22           HB3      LEU  22  -1.835  -3.234  -0.391
  102    HG   LEU  22           HG       LEU  22  -0.480  -1.870   1.889
  103   1HD1  LEU  22          HD11      LEU  22   0.467  -1.325  -0.549
  104   2HD1  LEU  22          HD12      LEU  22  -0.974  -0.309  -0.584
  105   3HD1  LEU  22          HD13      LEU  22   0.232  -0.083   0.680
  106   1HD2  LEU  22          HD21      LEU  22  -3.100  -1.948   0.550
  107   2HD2  LEU  22          HD22      LEU  22  -2.689  -1.553   2.222
  108   3HD2  LEU  22          HD23      LEU  22  -2.536  -0.325   0.971
  109    H    ARG  23           HN       ARG  23  -0.009  -6.049  -0.354
  110    HA   ARG  23           HA       ARG  23  -2.369  -7.088  -1.555
  111   1HB   ARG  23           HB2      ARG  23  -0.300  -7.127  -2.798
  112   2HB   ARG  23           HB3      ARG  23   0.491  -8.082  -1.552
  113   1HG   ARG  23           HG2      ARG  23   0.020  -9.803  -2.903
  114   2HG   ARG  23           HG3      ARG  23  -1.584  -9.704  -2.179
  115   1HD   ARG  23           HD2      ARG  23  -2.283  -8.234  -4.048
  116   2HD   ARG  23           HD3      ARG  23  -0.695  -8.448  -4.777
  117    HE   ARG  23           HE       ARG  23  -1.272 -10.895  -4.843
  118   1HH1  ARG  23          HH12      ARG  23  -3.717  -8.385  -5.005
  119   2HH1  ARG  23          HH11      ARG  23  -4.912  -9.414  -5.744
  120   1HH2  ARG  23          HH22      ARG  23  -2.812 -12.238  -5.840
  121   2HH2  ARG  23          HH21      ARG  23  -4.387 -11.606  -6.238
  122    H    GLU  24           HN       GLU  24  -0.220  -8.224   1.015
  123    HA   GLU  24           HA       GLU  24  -1.498 -10.738   1.349
  124   1HB   GLU  24           HB2      GLU  24   0.808 -10.116   2.194
  125   2HB   GLU  24           HB3      GLU  24   0.008  -9.193   3.454
  126   1HG   GLU  24           HG2      GLU  24  -1.181 -11.664   3.578
  127   2HG   GLU  24           HG3      GLU  24   0.518 -12.018   3.286
  128    H    LEU  25           HN       LEU  25  -1.974  -7.541   2.717
  129    HA   LEU  25           HA       LEU  25  -3.889  -8.371   4.671
  130   1HB   LEU  25           HB2      LEU  25  -2.451  -6.091   4.183
  131   2HB   LEU  25           HB3      LEU  25  -4.057  -5.613   3.672
  132    HG   LEU  25           HG       LEU  25  -2.969  -5.921   6.342
  133   1HD1  LEU  25          HD11      LEU  25  -5.660  -4.830   5.781
  134   2HD1  LEU  25          HD12      LEU  25  -4.384  -4.216   6.835
  135   3HD1  LEU  25          HD13      LEU  25  -4.266  -4.010   5.084
  136   1HD2  LEU  25          HD21      LEU  25  -4.132  -7.717   7.005
  137   2HD2  LEU  25          HD22      LEU  25  -5.529  -6.641   6.960
  138   3HD2  LEU  25          HD23      LEU  25  -5.176  -7.680   5.583
  139    H    SER  26           HN       SER  26  -3.984  -7.260   1.346
  140    HA   SER  26           HA       SER  26  -6.766  -6.843   1.160
  141   1HB   SER  26           HB2      SER  26  -4.444  -6.893  -0.621
  142   2HB   SER  26           HB3      SER  26  -5.898  -7.501  -1.393
  143    HG   SER  26           HG       SER  26  -5.529  -4.992  -0.149
  144    H    LEU  27           HN       LEU  27  -4.730  -9.689   0.837
  145    HA   LEU  27           HA       LEU  27  -6.910 -11.316  -0.162
  146   1HB   LEU  27           HB2      LEU  27  -4.030 -11.698   0.385
  147   2HB   LEU  27           HB3      LEU  27  -5.030 -13.108   0.678
  148    HG   LEU  27           HG       LEU  27  -5.909 -12.884  -1.661
  149   1HD1  LEU  27          HD11      LEU  27  -4.809 -11.462  -3.225
  150   2HD1  LEU  27          HD12      LEU  27  -5.290 -10.464  -1.853
  151   3HD1  LEU  27          HD13      LEU  27  -3.610 -10.972  -2.028
  152   1HD2  LEU  27          HD21      LEU  27  -2.988 -13.144  -2.005
  153   2HD2  LEU  27          HD22      LEU  27  -3.714 -14.175  -0.766
  154   3HD2  LEU  27          HD23      LEU  27  -4.287 -14.256  -2.433
  155    H    ASN  28           HN       ASN  28  -5.373 -10.554   2.869
  156    HA   ASN  28           HA       ASN  28  -6.462 -12.629   4.448
  157   1HB   ASN  28           HB2      ASN  28  -4.805 -10.341   4.819
  158   2HB   ASN  28           HB3      ASN  28  -6.085 -10.274   6.024
  159   1HD2  ASN  28          HD21      ASN  28  -3.219 -11.799   4.988
  160   2HD2  ASN  28          HD22      ASN  28  -3.044 -12.886   6.323
  161    H    LEU  29           HN       LEU  29  -7.359  -9.175   4.340
  162    HA   LEU  29           HA       LEU  29  -9.795  -9.562   5.760
  163   1HB   LEU  29           HB2      LEU  29  -8.946  -7.307   3.941
  164   2HB   LEU  29           HB3      LEU  29 -10.319  -7.267   5.028
  165    HG   LEU  29           HG       LEU  29  -7.620  -7.789   6.185
  166   1HD1  LEU  29          HD11      LEU  29  -7.418  -5.281   6.424
  167   2HD1  LEU  29          HD12      LEU  29  -7.085  -5.946   4.823
  168   3HD1  LEU  29          HD13      LEU  29  -8.634  -5.162   5.148
  169   1HD2  LEU  29          HD21      LEU  29 -10.134  -7.507   7.231
  170   2HD2  LEU  29          HD22      LEU  29  -8.627  -7.271   8.118
  171   3HD2  LEU  29          HD23      LEU  29  -9.463  -5.885   7.417
  172    H    GLY  30           HN       GLY  30  -8.873  -9.556   2.390
  173   1HA   GLY  30           HA1      GLY  30 -11.412  -9.307   1.233
  174   2HA   GLY  30           HA2      GLY  30 -10.007 -10.026   0.462
  175    H    ASN  31           HN       ASN  31  -9.594 -12.275   2.134
  176    HA   ASN  31           HA       ASN  31 -11.778 -13.907   1.170
  177   1HB   ASN  31           HB2      ASN  31  -9.201 -14.459   1.275
  178   2HB   ASN  31           HB3      ASN  31  -9.621 -15.044   2.881
  179   1HD2  ASN  31          HD21      ASN  31  -8.855 -17.094   1.842
  180   2HD2  ASN  31          HD22      ASN  31 -10.036 -18.042   1.006
  181    H    ARG  32           HN       ARG  32 -11.101 -12.250   4.016
  182    HA   ARG  32           HA       ARG  32 -12.616 -14.078   5.702
  183   1HB   ARG  32           HB2      ARG  32 -10.514 -12.435   6.265
  184   2HB   ARG  32           HB3      ARG  32 -11.863 -11.437   6.785
  185   1HG   ARG  32           HG2      ARG  32 -12.452 -12.857   8.475
  186   2HG   ARG  32           HG3      ARG  32 -11.767 -14.275   7.673
  187   1HD   ARG  32           HD2      ARG  32  -9.714 -12.344   8.213
  188   2HD   ARG  32           HD3      ARG  32 -10.601 -12.701   9.690
  189    HE   ARG  32           HE       ARG  32 -10.050 -15.063   9.309
  190   1HH1  ARG  32          HH12      ARG  32  -8.227 -12.642   7.562
  191   2HH1  ARG  32          HH11      ARG  32  -6.803 -13.624   7.419
  192   1HH2  ARG  32          HH22      ARG  32  -8.178 -16.380   9.066
  193   2HH2  ARG  32          HH21      ARG  32  -6.783 -15.732   8.249
  194    H    MET  33           HN       MET  33 -13.297 -11.757   3.501
  195    HA   MET  33           HA       MET  33 -15.580 -10.612   4.919
  196   1HB   MET  33           HB2      MET  33 -13.896  -9.538   3.053
  197   2HB   MET  33           HB3      MET  33 -15.240 -10.044   2.041
  198   1HG   MET  33           HG2      MET  33 -16.703  -8.553   2.986
  199   2HG   MET  33           HG3      MET  33 -15.821  -8.490   4.511
  200   1HE   MET  33           HE1      MET  33 -13.351  -7.875   4.464
  201   2HE   MET  33           HE2      MET  33 -12.696  -6.479   3.607
  202   3HE   MET  33           HE3      MET  33 -13.865  -6.248   4.906
  203    H    VAL  34           HN       VAL  34 -17.732 -10.748   3.995
  204    HA   VAL  34           HA       VAL  34 -18.154 -13.045   2.199
  205    HB   VAL  34           HB       VAL  34 -19.652 -12.492   4.772
  206   1HG1  VAL  34          HG11      VAL  34 -20.316 -14.384   2.517
  207   2HG1  VAL  34          HG12      VAL  34 -21.056 -14.445   4.112
  208   3HG1  VAL  34          HG13      VAL  34 -21.290 -13.026   3.086
  209   1HG2  VAL  34          HG21      VAL  34 -17.483 -14.199   4.081
  210   2HG2  VAL  34          HG22      VAL  34 -18.317 -14.051   5.626
  211   3HG2  VAL  34          HG23      VAL  34 -18.894 -15.204   4.427
  212    HA   PRO  35           HA       PRO  35 -18.962 -13.524   0.455
  213   1HB   PRO  35           HB2      PRO  35 -18.865 -12.671  -2.108
  214   2HB   PRO  35           HB3      PRO  35 -20.349 -13.279  -1.366
  215   1HG   PRO  35           HG2      PRO  35 -19.459 -10.454  -1.798
  216   2HG   PRO  35           HG3      PRO  35 -21.060 -11.171  -2.071
  217   1HD   PRO  35           HD2      PRO  35 -20.466  -9.715   0.140
  218   2HD   PRO  35           HD3      PRO  35 -21.631 -11.054   0.155
  219    HA   PRO  36           HA       PRO  36 -14.685 -12.391   0.546
  220   1HB   PRO  36           HB2      PRO  36 -14.305 -14.408  -1.603
  221   2HB   PRO  36           HB3      PRO  36 -13.529 -14.285  -0.021
  222   1HG   PRO  36           HG2      PRO  36 -15.388 -16.121  -0.466
  223   2HG   PRO  36           HG3      PRO  36 -15.313 -15.265   1.084
  224   1HD   PRO  36           HD2      PRO  36 -17.172 -14.854  -1.218
  225   2HD   PRO  36           HD3      PRO  36 -17.506 -14.817   0.526
  226    H    VAL  37           HN       VAL  37 -13.471 -10.924  -0.421
  227    HA   VAL  37           HA       VAL  37 -14.288  -9.945  -3.032
  228    HB   VAL  37           HB       VAL  37 -12.054  -8.528  -1.816
  229   1HG1  VAL  37          HG11      VAL  37 -14.666  -7.965  -3.062
  230   2HG1  VAL  37          HG12      VAL  37 -14.065  -6.761  -1.924
  231   3HG1  VAL  37          HG13      VAL  37 -13.091  -7.209  -3.327
  232   1HG2  VAL  37          HG21      VAL  37 -14.576  -8.885  -0.212
  233   2HG2  VAL  37          HG22      VAL  37 -12.924  -9.214   0.297
  234   3HG2  VAL  37          HG23      VAL  37 -13.450  -7.551   0.038
  235    H    GLY  38           HN       GLY  38 -13.298 -10.612  -4.802
  236   1HA   GLY  38           HA1      GLY  38 -10.850 -12.099  -4.710
  237   2HA   GLY  38           HA2      GLY  38 -11.706 -11.590  -6.161
  238    H    ASN  39           HN       ASN  39 -11.673  -8.802  -5.018
  239    HA   ASN  39           HA       ASN  39  -8.860  -8.088  -5.295
  240   1HB   ASN  39           HB2      ASN  39  -9.762  -6.108  -6.788
  241   2HB   ASN  39           HB3      ASN  39  -9.387  -7.666  -7.518
  242   1HD2  ASN  39          HD21      ASN  39 -10.807  -7.994  -9.072
  243   2HD2  ASN  39          HD22      ASN  39 -12.526  -7.802  -8.937
  244    H    PHE  40           HN       PHE  40  -9.258  -7.835  -2.988
  245    HA   PHE  40           HA       PHE  40 -11.041  -6.162  -1.722
  246   1HB   PHE  40           HB2      PHE  40  -9.316  -7.645  -0.658
  247   2HB   PHE  40           HB3      PHE  40  -8.101  -6.448  -1.068
  248    HD1  PHE  40           HD1      PHE  40  -7.370  -5.264   0.711
  249    HD2  PHE  40           HD2      PHE  40 -11.472  -6.389   0.563
  250    HE1  PHE  40           HE1      PHE  40  -7.722  -4.191   2.888
  251    HE2  PHE  40           HE2      PHE  40 -11.842  -5.303   2.742
  252    HZ   PHE  40           HZ       PHE  40  -9.968  -4.208   3.910
  253    H    MET  41           HN       MET  41  -7.792  -5.319  -2.873
  254    HA   MET  41           HA       MET  41  -8.743  -2.613  -3.480
  255   1HB   MET  41           HB2      MET  41  -7.239  -2.873  -1.352
  256   2HB   MET  41           HB3      MET  41  -5.943  -3.110  -2.515
  257   1HG   MET  41           HG2      MET  41  -6.236  -0.780  -1.638
  258   2HG   MET  41           HG3      MET  41  -6.180  -0.952  -3.392
  259   1HE   MET  41           HE1      MET  41  -8.327   1.464  -1.034
  260   2HE   MET  41           HE2      MET  41  -9.481   0.197  -0.600
  261   3HE   MET  41           HE3      MET  41  -7.754  -0.060  -0.353
  262    HA   PRO  42           HA       PRO  42  -7.278  -4.075  -7.421
  263   1HB   PRO  42           HB2      PRO  42  -7.261  -1.201  -8.157
  264   2HB   PRO  42           HB3      PRO  42  -8.106  -2.552  -8.914
  265   1HG   PRO  42           HG2      PRO  42  -9.415  -0.753  -7.466
  266   2HG   PRO  42           HG3      PRO  42  -9.864  -2.467  -7.422
  267   1HD   PRO  42           HD2      PRO  42  -8.327  -0.856  -5.436
  268   2HD   PRO  42           HD3      PRO  42  -9.543  -2.122  -5.166
  269    H    ASP  43           HN       ASP  43  -5.317  -4.372  -8.341
  270    HA   ASP  43           HA       ASP  43  -2.986  -3.726  -7.040
  271   1HB   ASP  43           HB2      ASP  43  -1.806  -4.611  -8.881
  272   2HB   ASP  43           HB3      ASP  43  -3.361  -5.437  -8.903
  273    H    SER  44           HN       SER  44  -4.571  -1.907  -9.612
  274    HA   SER  44           HA       SER  44  -2.530  -0.076 -10.152
  275   1HB   SER  44           HB2      SER  44  -5.338   0.882 -10.284
  276   2HB   SER  44           HB3      SER  44  -4.077   0.935 -11.509
  277    HG   SER  44           HG       SER  44  -4.391  -1.411 -11.689
  278    H    ILE  45           HN       ILE  45  -5.128  -0.035  -7.760
  279    HA   ILE  45           HA       ILE  45  -4.431   2.571  -6.750
  280    HB   ILE  45           HB       ILE  45  -6.213   0.443  -5.546
  281   1HG1  ILE  45          HG12      ILE  45  -6.822   1.556  -7.813
  282   2HG1  ILE  45          HG13      ILE  45  -8.051   1.474  -6.556
  283   1HG2  ILE  45          HG21      ILE  45  -5.747   1.725  -3.705
  284   2HG2  ILE  45          HG22      ILE  45  -5.504   3.193  -4.649
  285   3HG2  ILE  45          HG23      ILE  45  -7.138   2.588  -4.356
  286   1HD1  ILE  45          HD11      ILE  45  -8.341   3.635  -6.962
  287   2HD1  ILE  45          HD12      ILE  45  -6.846   3.876  -6.052
  288   3HD1  ILE  45          HD13      ILE  45  -6.800   3.776  -7.810
  289    H    LEU  46           HN       LEU  46  -3.797  -0.800  -5.864
  290    HA   LEU  46           HA       LEU  46  -2.634  -0.365  -3.343
  291   1HB   LEU  46           HB2      LEU  46  -2.097  -2.493  -5.423
  292   2HB   LEU  46           HB3      LEU  46  -1.374  -2.516  -3.833
  293    HG   LEU  46           HG       LEU  46  -4.361  -2.545  -4.223
  294   1HD1  LEU  46          HD11      LEU  46  -4.231  -4.590  -5.037
  295   2HD1  LEU  46          HD12      LEU  46  -2.474  -4.570  -4.924
  296   3HD1  LEU  46          HD13      LEU  46  -3.442  -5.108  -3.546
  297   1HD2  LEU  46          HD21      LEU  46  -4.069  -3.852  -2.021
  298   2HD2  LEU  46          HD22      LEU  46  -2.471  -3.092  -1.982
  299   3HD2  LEU  46          HD23      LEU  46  -3.924  -2.087  -2.008
  300    H    LYS  47           HN       LYS  47  -1.342  -0.125  -6.595
  301    HA   LYS  47           HA       LYS  47   1.373   0.149  -5.806
  302   1HB   LYS  47           HB2      LYS  47  -0.106   0.677  -8.372
  303   2HB   LYS  47           HB3      LYS  47   1.624   0.960  -8.209
  304   1HG   LYS  47           HG2      LYS  47   1.797  -1.456  -7.457
  305   2HG   LYS  47           HG3      LYS  47   0.135  -1.643  -8.014
  306   1HD   LYS  47           HD2      LYS  47   0.857  -1.940 -10.084
  307   2HD   LYS  47           HD3      LYS  47   1.616  -0.346 -10.059
  308   1HE   LYS  47           HE2      LYS  47   3.657  -1.218  -9.848
  309   2HE   LYS  47           HE3      LYS  47   3.140  -2.321  -8.576
  310   1HZ   LYS  47           HZ1      LYS  47   2.090  -3.208 -11.038
  311   2HZ   LYS  47           HZ2      LYS  47   3.201  -3.980 -10.014
  312   3HZ   LYS  47           HZ3      LYS  47   3.756  -2.934 -11.223
  313    H    LYS  48           HN       LYS  48  -1.133   2.550  -6.765
  314    HA   LYS  48           HA       LYS  48   0.711   4.712  -6.467
  315   1HB   LYS  48           HB2      LYS  48  -1.474   6.104  -6.247
  316   2HB   LYS  48           HB3      LYS  48  -1.075   5.377  -7.787
  317   1HG   LYS  48           HG2      LYS  48  -2.635   3.582  -7.377
  318   2HG   LYS  48           HG3      LYS  48  -2.955   4.205  -5.760
  319   1HD   LYS  48           HD2      LYS  48  -4.755   4.998  -7.011
  320   2HD   LYS  48           HD3      LYS  48  -3.650   6.373  -6.956
  321   1HE   LYS  48           HE2      LYS  48  -2.732   5.391  -9.182
  322   2HE   LYS  48           HE3      LYS  48  -4.276   4.542  -9.243
  323   1HZ   LYS  48           HZ1      LYS  48  -3.715   7.422  -9.447
  324   2HZ   LYS  48           HZ2      LYS  48  -5.208   6.928  -8.815
  325   3HZ   LYS  48           HZ3      LYS  48  -4.757   6.459 -10.381
  326    H    MET  49           HN       MET  49  -1.631   3.194  -4.334
  327    HA   MET  49           HA       MET  49  -1.380   5.044  -2.205
  328   1HB   MET  49           HB2      MET  49  -3.021   3.829  -1.316
  329   2HB   MET  49           HB3      MET  49  -2.999   2.901  -2.808
  330   1HG   MET  49           HG2      MET  49  -1.042   1.674  -1.423
  331   2HG   MET  49           HG3      MET  49  -2.116   2.189  -0.129
  332   1HE   MET  49           HE1      MET  49  -4.323   1.560   0.271
  333   2HE   MET  49           HE2      MET  49  -5.308   1.495  -1.191
  334   3HE   MET  49           HE3      MET  49  -5.064   0.040  -0.231
  335    H    ALA  50           HN       ALA  50   0.457   2.232  -3.185
  336    HA   ALA  50           HA       ALA  50   1.936   2.048  -0.738
  337   1HB   ALA  50           HB1      ALA  50   3.258   0.851  -3.018
  338   2HB   ALA  50           HB2      ALA  50   2.629   0.098  -1.552
  339   3HB   ALA  50           HB3      ALA  50   1.558   0.394  -2.927
  340    H    ALA  51           HN       ALA  51   2.343   3.696  -3.786
  341    HA   ALA  51           HA       ALA  51   5.108   4.336  -3.355
  342   1HB   ALA  51           HB1      ALA  51   4.880   5.715  -5.347
  343   2HB   ALA  51           HB2      ALA  51   4.155   4.127  -5.600
  344   3HB   ALA  51           HB3      ALA  51   3.126   5.523  -5.289
  345    H    ILE  52           HN       ILE  52   2.034   6.063  -2.980
  346    HA   ILE  52           HA       ILE  52   3.423   8.463  -2.112
  347    HB   ILE  52           HB       ILE  52   0.572   7.743  -2.668
  348   1HG1  ILE  52          HG12      ILE  52   1.089  10.163  -3.819
  349   2HG1  ILE  52          HG13      ILE  52   2.681   9.413  -3.855
  350   1HG2  ILE  52          HG21      ILE  52  -0.250   9.114  -1.142
  351   2HG2  ILE  52          HG22      ILE  52   1.372   9.591  -0.634
  352   3HG2  ILE  52          HG23      ILE  52   0.571  10.448  -1.953
  353   1HD1  ILE  52          HD11      ILE  52   2.039   8.414  -5.726
  354   2HD1  ILE  52          HD12      ILE  52   0.944   7.439  -4.746
  355   3HD1  ILE  52          HD13      ILE  52   0.366   8.927  -5.496
  356    H    LEU  53           HN       LEU  53   1.283   6.006  -0.751
  357    HA   LEU  53           HA       LEU  53   0.687   5.442   1.356
  358   1HB   LEU  53           HB2      LEU  53   3.518   6.345   1.647
  359   2HB   LEU  53           HB3      LEU  53   2.590   5.987   3.088
  360    HG   LEU  53           HG       LEU  53   3.155   4.081   0.821
  361   1HD1  LEU  53          HD11      LEU  53   4.447   4.618   3.412
  362   2HD1  LEU  53          HD12      LEU  53   4.171   2.921   3.023
  363   3HD1  LEU  53          HD13      LEU  53   5.109   3.932   1.929
  364   1HD2  LEU  53          HD21      LEU  53   2.199   2.503   2.741
  365   2HD2  LEU  53          HD22      LEU  53   1.285   3.962   3.116
  366   3HD2  LEU  53          HD23      LEU  53   1.169   3.232   1.514
  367    HA   PRO  54           HA       PRO  54  -0.557   9.736   2.345
  368   1HB   PRO  54           HB2      PRO  54  -3.296   8.986   2.037
  369   2HB   PRO  54           HB3      PRO  54  -2.333  10.036   1.001
  370   1HG   PRO  54           HG2      PRO  54  -3.315   7.515   0.307
  371   2HG   PRO  54           HG3      PRO  54  -2.024   8.396  -0.533
  372   1HD   PRO  54           HD2      PRO  54  -1.833   6.153   1.420
  373   2HD   PRO  54           HD3      PRO  54  -0.774   6.557   0.055
  374    H    MET  55           HN       MET  55  -0.345   9.971   4.468
  375    HA   MET  55           HA       MET  55  -1.707   8.159   6.307
  376   1HB   MET  55           HB2      MET  55   0.311  10.360   6.745
  377   2HB   MET  55           HB3      MET  55  -0.447   9.462   8.052
  378   1HG   MET  55           HG2      MET  55   0.460   7.373   6.957
  379   2HG   MET  55           HG3      MET  55   1.423   8.447   5.945
  380   1HE   MET  55           HE1      MET  55   1.773   7.435  10.317
  381   2HE   MET  55           HE2      MET  55   0.920   8.967  10.138
  382   3HE   MET  55           HE3      MET  55   0.307   7.521   9.337
  383    H    ASN  56           HN       ASN  56  -2.815  10.537   4.628
  384    HA   ASN  56           HA       ASN  56  -4.570  11.516   6.749
  385   1HB   ASN  56           HB2      ASN  56  -2.500  13.070   5.902
  386   2HB   ASN  56           HB3      ASN  56  -3.776  13.558   4.790
  387   1HD2  ASN  56          HD21      ASN  56  -2.848  13.325   8.144
  388   2HD2  ASN  56          HD22      ASN  56  -3.986  14.485   8.732
  389    H    ASP  57           HN       ASP  57  -6.616  12.171   6.018
  390    HA   ASP  57           HA       ASP  57  -7.584  10.782   3.754
  391   1HB   ASP  57           HB2      ASP  57  -8.725  12.281   5.916
  392   2HB   ASP  57           HB3      ASP  57  -9.435  12.834   4.403
  393    H    SER  58           HN       SER  58  -6.584  14.113   4.233
  394    HA   SER  58           HA       SER  58  -7.574  15.100   1.755
  395   1HB   SER  58           HB2      SER  58  -5.181  16.440   2.780
  396   2HB   SER  58           HB3      SER  58  -6.802  17.083   2.528
  397    HG   SER  58           HG       SER  58  -7.408  16.061   4.524
  398    H    ALA  59           HN       ALA  59  -4.599  13.636   2.878
  399    HA   ALA  59           HA       ALA  59  -3.033  14.018   0.560
  400   1HB   ALA  59           HB1      ALA  59  -2.776  11.776   2.558
  401   2HB   ALA  59           HB2      ALA  59  -1.530  12.392   1.474
  402   3HB   ALA  59           HB3      ALA  59  -2.124  13.398   2.795
  403    H    PHE  60           HN       PHE  60  -5.442  11.689   1.469
  404    HA   PHE  60           HA       PHE  60  -4.923   9.606  -0.311
  405   1HB   PHE  60           HB2      PHE  60  -7.086  10.461   1.405
  406   2HB   PHE  60           HB3      PHE  60  -7.724   9.833  -0.113
  407    HD1  PHE  60           HD1      PHE  60  -8.103   8.624   2.627
  408    HD2  PHE  60           HD2      PHE  60  -5.194   7.919  -0.395
  409    HE1  PHE  60           HE1      PHE  60  -7.804   6.346   3.455
  410    HE2  PHE  60           HE2      PHE  60  -4.891   5.620   0.442
  411    HZ   PHE  60           HZ       PHE  60  -6.141   4.832   2.298
  412    H    ALA  61           HN       ALA  61  -6.224  12.758  -0.873
  413    HA   ALA  61           HA       ALA  61  -7.649  12.334  -3.251
  414   1HB   ALA  61           HB1      ALA  61  -6.116  14.864  -2.831
  415   2HB   ALA  61           HB2      ALA  61  -7.746  14.627  -3.463
  416   3HB   ALA  61           HB3      ALA  61  -7.436  14.447  -1.738
  417    H    THR  62           HN       THR  62  -4.246  12.364  -2.645
  418    HA   THR  62           HA       THR  62  -3.331  13.088  -5.214
  419    HB   THR  62           HB       THR  62  -1.207  12.058  -4.561
  420    HG1  THR  62           HG1      THR  62  -2.403  11.395  -2.070
  421   1HG2  THR  62          HG21      THR  62  -2.213  13.525  -2.152
  422   2HG2  THR  62          HG22      THR  62  -2.124  14.341  -3.712
  423   3HG2  THR  62          HG23      THR  62  -0.663  13.676  -2.986
  424    H    LEU  63           HN       LEU  63  -4.846  10.235  -4.086
  425    HA   LEU  63           HA       LEU  63  -3.679   8.496  -6.102
  426   1HB   LEU  63           HB2      LEU  63  -6.099   7.945  -4.385
  427   2HB   LEU  63           HB3      LEU  63  -5.126   6.774  -5.250
  428    HG   LEU  63           HG       LEU  63  -4.228   8.390  -2.865
  429   1HD1  LEU  63          HD11      LEU  63  -5.558   5.816  -3.196
  430   2HD1  LEU  63          HD12      LEU  63  -4.079   5.737  -2.235
  431   3HD1  LEU  63          HD13      LEU  63  -5.381   6.829  -1.761
  432   1HD2  LEU  63          HD21      LEU  63  -2.230   8.005  -3.884
  433   2HD2  LEU  63          HD22      LEU  63  -2.418   6.477  -3.023
  434   3HD2  LEU  63          HD23      LEU  63  -2.807   6.570  -4.745
  435    H    GLY  64           HN       GLY  64  -5.929  10.907  -6.075
  436   1HA   GLY  64           HA1      GLY  64  -6.943  11.515  -8.201
  437   2HA   GLY  64           HA2      GLY  64  -7.298   9.806  -8.450
  438    H    THR  65           HN       THR  65  -9.542  10.270  -8.685
  439    HA   THR  65           HA       THR  65 -10.867  11.230  -6.251
  440    HB   THR  65           HB       THR  65 -12.881  10.958  -8.012
  441    HG1  THR  65           HG1      THR  65 -10.774  11.934  -9.642
  442   1HG2  THR  65          HG21      THR  65 -11.879  13.480  -8.622
  443   2HG2  THR  65          HG22      THR  65 -11.227  13.124  -7.021
  444   3HG2  THR  65          HG23      THR  65 -12.966  13.071  -7.297
  445    H    VAL  66           HN       VAL  66 -10.162   9.060  -5.365
  446    HA   VAL  66           HA       VAL  66 -11.158   6.638  -6.269
  447    HB   VAL  66           HB       VAL  66 -10.859   5.729  -4.039
  448   1HG1  VAL  66          HG11      VAL  66  -8.833   5.809  -5.135
  449   2HG1  VAL  66          HG12      VAL  66  -8.752   7.572  -5.083
  450   3HG1  VAL  66          HG13      VAL  66  -8.479   6.629  -3.614
  451   1HG2  VAL  66          HG21      VAL  66 -11.791   7.389  -2.615
  452   2HG2  VAL  66          HG22      VAL  66 -10.085   7.240  -2.183
  453   3HG2  VAL  66          HG23      VAL  66 -10.628   8.598  -3.162
  454    H    GLU  67           HN       GLU  67 -13.022   5.570  -6.105
  455    HA   GLU  67           HA       GLU  67 -15.388   7.043  -5.467
  456   1HB   GLU  67           HB2      GLU  67 -14.799   4.273  -6.470
  457   2HB   GLU  67           HB3      GLU  67 -16.412   4.710  -5.963
  458   1HG   GLU  67           HG2      GLU  67 -16.781   5.947  -7.773
  459   2HG   GLU  67           HG3      GLU  67 -15.137   6.565  -7.838
  460    H    ASP  68           HN       ASP  68 -17.089   6.100  -4.047
  461    HA   ASP  68           HA       ASP  68 -16.169   5.760  -1.425
  462   1HB   ASP  68           HB2      ASP  68 -18.492   6.467  -2.184
  463   2HB   ASP  68           HB3      ASP  68 -18.834   4.758  -2.411
  464    H    LYS  69           HN       LYS  69 -16.891   3.464  -3.952
  465    HA   LYS  69           HA       LYS  69 -16.958   1.113  -2.424
  466   1HB   LYS  69           HB2      LYS  69 -16.663  -0.086  -4.471
  467   2HB   LYS  69           HB3      LYS  69 -17.672   1.310  -4.817
  468   1HG   LYS  69           HG2      LYS  69 -15.364   2.397  -5.473
  469   2HG   LYS  69           HG3      LYS  69 -14.888   0.711  -5.676
  470   1HD   LYS  69           HD2      LYS  69 -17.344   0.843  -6.934
  471   2HD   LYS  69           HD3      LYS  69 -16.588   2.382  -7.340
  472   1HE   LYS  69           HE2      LYS  69 -14.513   0.896  -7.864
  473   2HE   LYS  69           HE3      LYS  69 -15.714  -0.386  -7.989
  474   1HZ   LYS  69           HZ1      LYS  69 -15.410   0.512 -10.139
  475   2HZ   LYS  69           HZ2      LYS  69 -15.585   2.110  -9.584
  476   3HZ   LYS  69           HZ3      LYS  69 -16.918   1.065  -9.589
  477    H    TYR  70           HN       TYR  70 -14.323   3.108  -3.480
  478    HA   TYR  70           HA       TYR  70 -12.313   1.097  -2.860
  479   1HB   TYR  70           HB2      TYR  70 -12.091   3.994  -3.713
  480   2HB   TYR  70           HB3      TYR  70 -10.712   2.930  -3.464
  481    HD1  TYR  70           HD1      TYR  70 -12.975   4.218  -5.850
  482    HD2  TYR  70           HD2      TYR  70 -10.786   0.688  -4.880
  483    HE1  TYR  70           HE1      TYR  70 -13.150   3.470  -8.186
  484    HE2  TYR  70           HE2      TYR  70 -10.966  -0.059  -7.215
  485    HH   TYR  70           HH       TYR  70 -11.283   0.987  -9.459
  486    H    ARG  71           HN       ARG  71 -13.758   3.970  -1.536
  487    HA   ARG  71           HA       ARG  71 -11.958   4.461   0.578
  488   1HB   ARG  71           HB2      ARG  71 -14.875   5.157   0.181
  489   2HB   ARG  71           HB3      ARG  71 -13.960   5.665   1.592
  490   1HG   ARG  71           HG2      ARG  71 -12.752   6.287  -1.025
  491   2HG   ARG  71           HG3      ARG  71 -14.222   7.167  -0.596
  492   1HD   ARG  71           HD2      ARG  71 -11.872   6.912   1.253
  493   2HD   ARG  71           HD3      ARG  71 -12.056   8.238   0.102
  494    HE   ARG  71           HE       ARG  71 -14.141   7.683   2.100
  495   1HH1  ARG  71          HH12      ARG  71 -11.819   9.888   0.644
  496   2HH1  ARG  71          HH11      ARG  71 -12.366  11.254   1.574
  497   1HH2  ARG  71          HH22      ARG  71 -14.854   9.448   3.287
  498   2HH2  ARG  71          HH21      ARG  71 -14.121  11.009   3.073
  499    H    ARG  72           HN       ARG  72 -14.695   2.276   0.275
  500    HA   ARG  72           HA       ARG  72 -15.174   1.664   2.946
  501   1HB   ARG  72           HB2      ARG  72 -15.172  -0.234   0.604
  502   2HB   ARG  72           HB3      ARG  72 -15.858  -0.580   2.181
  503   1HG   ARG  72           HG2      ARG  72 -17.682   0.731   1.816
  504   2HG   ARG  72           HG3      ARG  72 -16.822   1.799   0.694
  505   1HD   ARG  72           HD2      ARG  72 -18.357   0.432  -0.569
  506   2HD   ARG  72           HD3      ARG  72 -16.689  -0.044  -0.914
  507    HE   ARG  72           HE       ARG  72 -17.695  -1.656   1.168
  508   1HH1  ARG  72          HH12      ARG  72 -18.120  -1.198  -2.291
  509   2HH1  ARG  72          HH11      ARG  72 -18.538  -2.857  -2.583
  510   1HH2  ARG  72          HH22      ARG  72 -18.247  -3.846   0.762
  511   2HH2  ARG  72          HH21      ARG  72 -18.651  -4.344  -0.853
  512    H    ARG  73           HN       ARG  73 -12.982  -0.009   0.712
  513    HA   ARG  73           HA       ARG  73 -11.848  -1.605   2.793
  514   1HB   ARG  73           HB2      ARG  73 -11.006  -1.123  -0.061
  515   2HB   ARG  73           HB3      ARG  73 -10.234  -2.285   1.001
  516   1HG   ARG  73           HG2      ARG  73 -11.688  -3.631  -0.156
  517   2HG   ARG  73           HG3      ARG  73 -12.662  -3.223   1.260
  518   1HD   ARG  73           HD2      ARG  73 -13.846  -1.539   0.049
  519   2HD   ARG  73           HD3      ARG  73 -12.774  -1.727  -1.345
  520    HE   ARG  73           HE       ARG  73 -14.715  -3.766  -0.437
  521   1HH1  ARG  73          HH12      ARG  73 -12.828  -2.198  -2.926
  522   2HH1  ARG  73          HH11      ARG  73 -13.484  -3.149  -4.217
  523   1HH2  ARG  73          HH22      ARG  73 -15.622  -5.004  -2.158
  524   2HH2  ARG  73          HH21      ARG  73 -15.055  -4.750  -3.783
  525    H    PHE  74           HN       PHE  74 -11.438   1.555   1.893
  526    HA   PHE  74           HA       PHE  74  -8.621   1.839   2.343
  527   1HB   PHE  74           HB2      PHE  74 -10.883   3.585   1.746
  528   2HB   PHE  74           HB3      PHE  74  -9.719   4.317   2.849
  529    HD1  PHE  74           HD1      PHE  74 -10.207   5.462   0.181
  530    HD2  PHE  74           HD2      PHE  74  -7.520   2.390   1.401
  531    HE1  PHE  74           HE1      PHE  74  -8.720   6.010  -1.711
  532    HE2  PHE  74           HE2      PHE  74  -6.037   2.933  -0.482
  533    HZ   PHE  74           HZ       PHE  74  -6.622   4.749  -2.029
  534    H    LYS  75           HN       LYS  75 -11.505   2.113   4.321
  535    HA   LYS  75           HA       LYS  75 -10.197   3.158   6.607
  536   1HB   LYS  75           HB2      LYS  75 -12.237   2.772   7.774
  537   2HB   LYS  75           HB3      LYS  75 -12.667   3.257   6.142
  538   1HG   LYS  75           HG2      LYS  75 -13.123   0.947   5.541
  539   2HG   LYS  75           HG3      LYS  75 -12.638   0.426   7.162
  540   1HD   LYS  75           HD2      LYS  75 -14.673   0.850   7.949
  541   2HD   LYS  75           HD3      LYS  75 -14.581   2.515   7.372
  542   1HE   LYS  75           HE2      LYS  75 -15.348   1.778   5.154
  543   2HE   LYS  75           HE3      LYS  75 -15.452   0.123   5.745
  544   1HZ   LYS  75           HZ1      LYS  75 -17.368   0.536   6.834
  545   2HZ   LYS  75           HZ2      LYS  75 -17.514   1.800   5.711
  546   3HZ   LYS  75           HZ3      LYS  75 -16.932   2.125   7.265
  547    H    TYR  76           HN       TYR  76 -10.392   0.001   5.236
  548    HA   TYR  76           HA       TYR  76  -9.637  -1.358   7.698
  549   1HB   TYR  76           HB2      TYR  76  -9.822  -2.503   4.913
  550   2HB   TYR  76           HB3      TYR  76  -9.754  -3.396   6.420
  551    HD1  TYR  76           HD1      TYR  76 -11.879  -2.752   3.899
  552    HD2  TYR  76           HD2      TYR  76 -11.715  -2.287   8.121
  553    HE1  TYR  76           HE1      TYR  76 -14.339  -2.760   3.982
  554    HE2  TYR  76           HE2      TYR  76 -14.173  -2.295   8.226
  555    HH   TYR  76           HH       TYR  76 -16.115  -1.738   6.603
  556    H    PHE  77           HN       PHE  77  -8.099   0.401   5.378
  557    HA   PHE  77           HA       PHE  77  -5.596  -1.146   5.545
  558   1HB   PHE  77           HB2      PHE  77  -6.831   0.546   3.453
  559   2HB   PHE  77           HB3      PHE  77  -5.089   0.658   3.620
  560    HD1  PHE  77           HD1      PHE  77  -7.139  -0.534   1.438
  561    HD2  PHE  77           HD2      PHE  77  -4.413  -2.169   4.269
  562    HE1  PHE  77           HE1      PHE  77  -6.890  -2.542   0.042
  563    HE2  PHE  77           HE2      PHE  77  -4.172  -4.182   2.877
  564    HZ   PHE  77           HZ       PHE  77  -5.404  -4.358   0.748
  565    H    LYS  78           HN       LYS  78  -7.096   1.725   6.596
  566    HA   LYS  78           HA       LYS  78  -5.087   3.607   6.539
  567   1HB   LYS  78           HB2      LYS  78  -7.628   3.421   7.626
  568   2HB   LYS  78           HB3      LYS  78  -6.602   3.779   9.008
  569   1HG   LYS  78           HG2      LYS  78  -6.485   5.905   8.401
  570   2HG   LYS  78           HG3      LYS  78  -5.810   5.436   6.839
  571   1HD   LYS  78           HD2      LYS  78  -7.777   5.699   5.765
  572   2HD   LYS  78           HD3      LYS  78  -8.703   5.015   7.102
  573   1HE   LYS  78           HE2      LYS  78  -8.668   7.067   8.294
  574   2HE   LYS  78           HE3      LYS  78  -7.508   7.778   7.168
  575   1HZ   LYS  78           HZ1      LYS  78 -10.161   8.131   7.064
  576   2HZ   LYS  78           HZ2      LYS  78  -9.973   6.854   5.961
  577   3HZ   LYS  78           HZ3      LYS  78  -9.138   8.309   5.728
  578    H    ALA  79           HN       ALA  79  -5.301   0.889   8.768
  579    HA   ALA  79           HA       ALA  79  -3.358   2.018  10.571
  580   1HB   ALA  79           HB1      ALA  79  -4.594  -0.704  10.319
  581   2HB   ALA  79           HB2      ALA  79  -3.284  -0.386  11.454
  582   3HB   ALA  79           HB3      ALA  79  -4.808   0.488  11.596
  583    H    THR  80           HN       THR  80  -3.318  -0.144   7.834
  584    HA   THR  80           HA       THR  80  -0.558  -0.883   8.155
  585    HB   THR  80           HB       THR  80  -1.969  -1.195   5.543
  586    HG1  THR  80           HG1      THR  80  -2.594  -2.740   7.863
  587   1HG2  THR  80          HG21      THR  80   0.014  -2.673   7.193
  588   2HG2  THR  80          HG22      THR  80   0.036  -2.306   5.468
  589   3HG2  THR  80          HG23      THR  80  -1.002  -3.594   6.084
  590    H    ILE  81           HN       ILE  81  -2.384   1.195   5.918
  591    HA   ILE  81           HA       ILE  81  -0.230   2.096   4.387
  592    HB   ILE  81           HB       ILE  81  -2.811   3.513   5.075
  593   1HG1  ILE  81          HG12      ILE  81  -1.973   2.033   2.574
  594   2HG1  ILE  81          HG13      ILE  81  -2.949   1.333   3.861
  595   1HG2  ILE  81          HG21      ILE  81  -0.492   4.395   3.505
  596   2HG2  ILE  81          HG22      ILE  81  -2.051   4.562   2.690
  597   3HG2  ILE  81          HG23      ILE  81  -1.785   5.336   4.253
  598   1HD1  ILE  81          HD11      ILE  81  -4.160   2.221   1.805
  599   2HD1  ILE  81          HD12      ILE  81  -4.769   2.714   3.387
  600   3HD1  ILE  81          HD13      ILE  81  -3.790   3.826   2.437
  601    H    ALA  82           HN       ALA  82  -1.488   3.269   7.460
  602    HA   ALA  82           HA       ALA  82   0.196   5.559   7.594
  603   1HB   ALA  82           HB1      ALA  82  -1.401   5.925   9.119
  604   2HB   ALA  82           HB2      ALA  82  -1.731   4.205   9.329
  605   3HB   ALA  82           HB3      ALA  82  -0.389   4.966  10.196
  606    H    ASP  83           HN       ASP  83   0.355   2.310   8.983
  607    HA   ASP  83           HA       ASP  83   2.744   2.657  10.399
  608   1HB   ASP  83           HB2      ASP  83   1.118   0.747  10.634
  609   2HB   ASP  83           HB3      ASP  83   1.802   0.077   9.156
  610    H    LEU  84           HN       LEU  84   2.165   1.544   7.089
  611    HA   LEU  84           HA       LEU  84   4.799   0.824   6.479
  612   1HB   LEU  84           HB2      LEU  84   2.543   1.810   4.751
  613   2HB   LEU  84           HB3      LEU  84   4.082   1.295   4.081
  614    HG   LEU  84           HG       LEU  84   2.547  -0.543   5.879
  615   1HD1  LEU  84          HD11      LEU  84   1.890  -1.316   3.322
  616   2HD1  LEU  84          HD12      LEU  84   0.822  -0.511   4.472
  617   3HD1  LEU  84          HD13      LEU  84   1.709   0.437   3.282
  618   1HD2  LEU  84          HD21      LEU  84   3.652  -2.241   4.500
  619   2HD2  LEU  84          HD22      LEU  84   4.420  -0.969   3.555
  620   3HD2  LEU  84          HD23      LEU  84   4.821  -1.160   5.264
  621    H    SER  85           HN       SER  85   3.287   3.973   6.624
  622    HA   SER  85           HA       SER  85   5.444   5.308   5.254
  623   1HB   SER  85           HB2      SER  85   2.978   6.069   5.451
  624   2HB   SER  85           HB3      SER  85   3.454   6.695   7.029
  625    HG   SER  85           HG       SER  85   4.064   8.365   5.907
  626    H    LYS  86           HN       LYS  86   4.607   4.432   8.503
  627    HA   LYS  86           HA       LYS  86   6.443   6.146   9.853
  628   1HB   LYS  86           HB2      LYS  86   5.088   3.574  10.689
  629   2HB   LYS  86           HB3      LYS  86   6.117   4.507  11.766
  630   1HG   LYS  86           HG2      LYS  86   4.539   6.076  12.130
  631   2HG   LYS  86           HG3      LYS  86   3.923   6.002  10.476
  632   1HD   LYS  86           HD2      LYS  86   2.166   5.117  11.716
  633   2HD   LYS  86           HD3      LYS  86   3.025   3.673  11.177
  634   1HE   LYS  86           HE2      LYS  86   4.098   4.640  13.678
  635   2HE   LYS  86           HE3      LYS  86   2.360   4.387  13.800
  636   1HZ   LYS  86           HZ1      LYS  86   3.471   2.182  12.448
  637   2HZ   LYS  86           HZ2      LYS  86   2.721   2.213  13.968
  638   3HZ   LYS  86           HZ3      LYS  86   4.394   2.462  13.846
  639    H    LYS  87           HN       LYS  87   6.531   2.815   8.674
  640    HA   LYS  87           HA       LYS  87   9.179   2.274   9.605
  641   1HB   LYS  87           HB2      LYS  87   7.984   0.835   7.268
  642   2HB   LYS  87           HB3      LYS  87   8.979   0.205   8.566
  643   1HG   LYS  87           HG2      LYS  87   6.745   0.962   9.930
  644   2HG   LYS  87           HG3      LYS  87   6.068   0.480   8.374
  645   1HD   LYS  87           HD2      LYS  87   6.266  -1.657   8.942
  646   2HD   LYS  87           HD3      LYS  87   8.017  -1.449   9.092
  647   1HE   LYS  87           HE2      LYS  87   7.824  -1.773  11.275
  648   2HE   LYS  87           HE3      LYS  87   6.903  -0.274  11.367
  649   1HZ   LYS  87           HZ1      LYS  87   4.873  -1.520  10.996
  650   2HZ   LYS  87           HZ2      LYS  87   5.701  -2.130  12.346
  651   3HZ   LYS  87           HZ3      LYS  87   5.756  -2.970  10.879
  652    H    ARG  88           HN       ARG  88   7.809   3.794   6.801
  653    HA   ARG  88           HA       ARG  88  10.238   3.650   5.250
  654   1HB   ARG  88           HB2      ARG  88   7.811   3.814   4.353
  655   2HB   ARG  88           HB3      ARG  88   7.964   5.534   4.679
  656   1HG   ARG  88           HG2      ARG  88   9.794   5.716   3.139
  657   2HG   ARG  88           HG3      ARG  88   9.843   3.965   2.930
  658   1HD   ARG  88           HD2      ARG  88   8.724   5.022   1.044
  659   2HD   ARG  88           HD3      ARG  88   7.609   4.003   1.951
  660    HE   ARG  88           HE       ARG  88   7.275   6.503   3.017
  661   1HH1  ARG  88          HH12      ARG  88   7.120   5.242  -0.258
  662   2HH1  ARG  88          HH11      ARG  88   5.822   6.289  -0.737
  663   1HH2  ARG  88          HH22      ARG  88   5.623   7.950   2.350
  664   2HH2  ARG  88          HH21      ARG  88   4.955   7.819   0.759
  665    H    SER  89           HN       SER  89  10.891   4.664   7.676
  666    HA   SER  89           HA       SER  89  10.869   7.527   7.738
  667   1HB   SER  89           HB2      SER  89  12.977   6.419   9.342
  668   2HB   SER  89           HB3      SER  89  11.449   7.124   9.876
  669    HG   SER  89           HG       SER  89  10.520   5.162   9.913
  670    H    SER  90           HN       SER  90  12.901   5.046   6.452
  671    HA   SER  90           HA       SER  90  14.682   5.036   5.075
  672   1HB   SER  90           HB2      SER  90  14.560   8.034   4.807
  673   2HB   SER  90           HB3      SER  90  15.075   6.832   3.620
  674    HG   SER  90           HG       SER  90  12.449   6.730   4.570
  675    H    GLU  91           HN       GLU  91  14.847   5.452   7.954
  676    HA   GLU  91           HA       GLU  91  17.663   5.812   8.116
  677   1HB   GLU  91           HB2      GLU  91  17.500   7.584   9.940
  678   2HB   GLU  91           HB3      GLU  91  17.300   8.135   8.284
  679   1HG   GLU  91           HG2      GLU  91  14.732   7.678   8.916
  680   2HG   GLU  91           HG3      GLU  91  15.374   8.058  10.513
  Start of MODEL    7
    1    H    GLU  11           HN       GLU  11  15.133   0.420  -7.627
    2    HA   GLU  11           HA       GLU  11  16.753   0.493  -5.262
    3   1HB   GLU  11           HB2      GLU  11  15.412   2.884  -6.479
    4   2HB   GLU  11           HB3      GLU  11  17.002   2.746  -5.763
    5   1HG   GLU  11           HG2      GLU  11  17.647   2.906  -7.909
    6   2HG   GLU  11           HG3      GLU  11  17.389   1.165  -7.859
    7    H    LEU  12           HN       LEU  12  13.470   0.519  -6.154
    8    HA   LEU  12           HA       LEU  12  12.518   1.694  -3.655
    9   1HB   LEU  12           HB2      LEU  12  11.218   0.826  -6.215
   10   2HB   LEU  12           HB3      LEU  12  10.245   1.045  -4.775
   11    HG   LEU  12           HG       LEU  12  11.884   3.144  -6.181
   12   1HD1  LEU  12          HD11      LEU  12   9.539   4.192  -6.275
   13   2HD1  LEU  12          HD12      LEU  12   9.912   2.878  -7.386
   14   3HD1  LEU  12          HD13      LEU  12   8.954   2.562  -5.937
   15   1HD2  LEU  12          HD21      LEU  12  11.605   4.579  -4.452
   16   2HD2  LEU  12          HD22      LEU  12  10.071   3.859  -3.960
   17   3HD2  LEU  12          HD23      LEU  12  11.592   3.083  -3.517
   18    H    ASN  13           HN       ASN  13  13.951  -0.494  -3.138
   19    HA   ASN  13           HA       ASN  13  12.640  -2.969  -3.176
   20   1HB   ASN  13           HB2      ASN  13  15.099  -1.978  -2.288
   21   2HB   ASN  13           HB3      ASN  13  14.351  -2.673  -0.855
   22   1HD2  ASN  13          HD21      ASN  13  15.470  -3.291  -4.107
   23   2HD2  ASN  13          HD22      ASN  13  15.615  -5.010  -3.938
   24    H    ASN  14           HN       ASN  14  12.553  -0.331  -0.850
   25    HA   ASN  14           HA       ASN  14  11.067  -1.804   1.106
   26   1HB   ASN  14           HB2      ASN  14  12.447   0.535   1.238
   27   2HB   ASN  14           HB3      ASN  14  10.800   1.137   1.133
   28   1HD2  ASN  14          HD21      ASN  14  12.860  -1.121   2.884
   29   2HD2  ASN  14          HD22      ASN  14  12.008  -0.997   4.386
   30    H    LEU  15           HN       LEU  15  10.231   0.382  -1.545
   31    HA   LEU  15           HA       LEU  15   7.484   0.637  -0.955
   32   1HB   LEU  15           HB2      LEU  15   9.129   1.683  -2.847
   33   2HB   LEU  15           HB3      LEU  15   8.223   0.524  -3.807
   34    HG   LEU  15           HG       LEU  15   6.503   2.156  -2.098
   35   1HD1  LEU  15          HD11      LEU  15   8.627   3.465  -3.606
   36   2HD1  LEU  15          HD12      LEU  15   7.010   3.992  -4.079
   37   3HD1  LEU  15          HD13      LEU  15   7.520   4.121  -2.397
   38   1HD2  LEU  15          HD21      LEU  15   5.834   0.670  -4.011
   39   2HD2  LEU  15          HD22      LEU  15   5.197   2.315  -4.080
   40   3HD2  LEU  15          HD23      LEU  15   6.568   1.850  -5.094
   41    H    ARG  16           HN       ARG  16   9.353  -1.863  -2.491
   42    HA   ARG  16           HA       ARG  16   7.223  -3.319  -3.653
   43   1HB   ARG  16           HB2      ARG  16   9.815  -3.557  -3.954
   44   2HB   ARG  16           HB3      ARG  16   9.664  -4.664  -2.598
   45   1HG   ARG  16           HG2      ARG  16   8.154  -6.062  -3.829
   46   2HG   ARG  16           HG3      ARG  16   8.127  -4.908  -5.166
   47   1HD   ARG  16           HD2      ARG  16   9.607  -6.696  -5.740
   48   2HD   ARG  16           HD3      ARG  16  10.562  -5.243  -5.435
   49    HE   ARG  16           HE       ARG  16  10.223  -7.248  -3.309
   50   1HH1  ARG  16          HH12      ARG  16  12.249  -5.442  -5.482
   51   2HH1  ARG  16          HH11      ARG  16  13.741  -5.957  -4.760
   52   1HH2  ARG  16          HH22      ARG  16  12.159  -7.880  -2.261
   53   2HH2  ARG  16          HH21      ARG  16  13.689  -7.323  -2.880
   54    H    MET  17           HN       MET  17   8.744  -3.313  -0.482
   55    HA   MET  17           HA       MET  17   7.324  -5.550   0.567
   56   1HB   MET  17           HB2      MET  17   9.463  -4.237   1.443
   57   2HB   MET  17           HB3      MET  17   8.255  -3.332   2.344
   58   1HG   MET  17           HG2      MET  17   7.419  -5.546   3.211
   59   2HG   MET  17           HG3      MET  17   8.857  -6.273   2.497
   60   1HE   MET  17           HE1      MET  17   8.496  -6.672   5.754
   61   2HE   MET  17           HE2      MET  17   8.545  -5.134   6.616
   62   3HE   MET  17           HE3      MET  17   7.285  -5.430   5.417
   63    H    THR  18           HN       THR  18   6.752  -2.111   0.370
   64    HA   THR  18           HA       THR  18   4.509  -1.915   2.090
   65    HB   THR  18           HB       THR  18   5.141  -0.241  -0.356
   66    HG1  THR  18           HG1      THR  18   6.243  -0.282   2.244
   67   1HG2  THR  18          HG21      THR  18   3.918   1.528   0.815
   68   2HG2  THR  18          HG22      THR  18   3.572   0.415   2.139
   69   3HG2  THR  18          HG23      THR  18   2.891   0.115   0.542
   70    H    TYR  19           HN       TYR  19   4.817  -2.386  -1.418
   71    HA   TYR  19           HA       TYR  19   2.047  -2.560  -1.958
   72   1HB   TYR  19           HB2      TYR  19   3.546  -2.080  -3.766
   73   2HB   TYR  19           HB3      TYR  19   4.490  -3.532  -3.446
   74    HD1  TYR  19           HD1      TYR  19   1.286  -2.269  -4.769
   75    HD2  TYR  19           HD2      TYR  19   3.850  -5.640  -4.354
   76    HE1  TYR  19           HE1      TYR  19  -0.070  -3.486  -6.419
   77    HE2  TYR  19           HE2      TYR  19   2.503  -6.867  -6.011
   78    HH   TYR  19           HH       TYR  19   0.398  -6.877  -7.036
   79    H    GLU  20           HN       GLU  20   4.525  -5.026  -1.324
   80    HA   GLU  20           HA       GLU  20   2.862  -7.257  -1.740
   81   1HB   GLU  20           HB2      GLU  20   5.501  -6.754  -0.516
   82   2HB   GLU  20           HB3      GLU  20   4.678  -8.215   0.019
   83   1HG   GLU  20           HG2      GLU  20   4.730  -7.744  -2.887
   84   2HG   GLU  20           HG3      GLU  20   6.276  -8.089  -2.122
   85    H    ARG  21           HN       ARG  21   3.540  -5.324   1.129
   86    HA   ARG  21           HA       ARG  21   2.173  -6.966   2.989
   87   1HB   ARG  21           HB2      ARG  21   3.807  -5.022   3.448
   88   2HB   ARG  21           HB3      ARG  21   2.419  -3.969   3.212
   89   1HG   ARG  21           HG2      ARG  21   1.890  -4.253   5.337
   90   2HG   ARG  21           HG3      ARG  21   1.587  -5.960   4.999
   91   1HD   ARG  21           HD2      ARG  21   3.147  -5.999   6.735
   92   2HD   ARG  21           HD3      ARG  21   4.110  -6.280   5.289
   93    HE   ARG  21           HE       ARG  21   5.264  -4.383   5.773
   94   1HH1  ARG  21          HH12      ARG  21   2.141  -4.123   7.375
   95   2HH1  ARG  21          HH11      ARG  21   2.551  -2.615   8.152
   96   1HH2  ARG  21          HH22      ARG  21   5.758  -2.394   6.843
   97   2HH2  ARG  21          HH21      ARG  21   4.551  -1.668   7.873
   98    H    LEU  22           HN       LEU  22   1.198  -4.521   0.726
   99    HA   LEU  22           HA       LEU  22  -1.469  -4.132   1.739
  100   1HB   LEU  22           HB2      LEU  22   0.133  -3.344  -0.642
  101   2HB   LEU  22           HB3      LEU  22  -1.608  -3.313  -0.810
  102    HG   LEU  22           HG       LEU  22  -0.316  -1.903   1.487
  103   1HD1  LEU  22          HD11      LEU  22  -0.841  -0.434  -1.040
  104   2HD1  LEU  22          HD12      LEU  22   0.287  -0.071   0.264
  105   3HD1  LEU  22          HD13      LEU  22   0.663  -1.345  -0.899
  106   1HD2  LEU  22          HD21      LEU  22  -2.931  -2.065   0.165
  107   2HD2  LEU  22          HD22      LEU  22  -2.515  -1.593   1.817
  108   3HD2  LEU  22          HD23      LEU  22  -2.389  -0.419   0.508
  109    H    ARG  23           HN       ARG  23   0.062  -6.162  -0.704
  110    HA   ARG  23           HA       ARG  23  -2.404  -7.143  -1.774
  111   1HB   ARG  23           HB2      ARG  23  -0.072  -7.091  -2.888
  112   2HB   ARG  23           HB3      ARG  23   0.244  -8.561  -1.974
  113   1HG   ARG  23           HG2      ARG  23  -2.040  -9.305  -3.071
  114   2HG   ARG  23           HG3      ARG  23  -1.583  -8.100  -4.273
  115   1HD   ARG  23           HD2      ARG  23   0.234  -9.293  -4.985
  116   2HD   ARG  23           HD3      ARG  23   0.484 -10.053  -3.414
  117    HE   ARG  23           HE       ARG  23  -1.752 -10.822  -5.186
  118   1HH1  ARG  23          HH12      ARG  23   0.922 -11.633  -3.069
  119   2HH1  ARG  23          HH11      ARG  23   0.754 -13.349  -3.296
  120   1HH2  ARG  23          HH22      ARG  23  -2.028 -13.070  -5.435
  121   2HH2  ARG  23          HH21      ARG  23  -0.925 -14.168  -4.655
  122    H    GLU  24           HN       GLU  24  -0.072  -8.270   0.617
  123    HA   GLU  24           HA       GLU  24  -1.301 -10.781   1.058
  124   1HB   GLU  24           HB2      GLU  24   1.048  -9.808   1.789
  125   2HB   GLU  24           HB3      GLU  24   0.163  -9.369   3.245
  126   1HG   GLU  24           HG2      GLU  24   1.330 -11.529   3.409
  127   2HG   GLU  24           HG3      GLU  24  -0.407 -11.652   3.670
  128    H    LEU  25           HN       LEU  25  -1.745  -7.566   2.361
  129    HA   LEU  25           HA       LEU  25  -3.570  -8.330   4.440
  130   1HB   LEU  25           HB2      LEU  25  -2.095  -6.087   3.873
  131   2HB   LEU  25           HB3      LEU  25  -3.698  -5.581   3.387
  132    HG   LEU  25           HG       LEU  25  -2.555  -5.815   6.034
  133   1HD1  LEU  25          HD11      LEU  25  -5.122  -4.689   6.096
  134   2HD1  LEU  25          HD12      LEU  25  -3.566  -3.856   6.059
  135   3HD1  LEU  25          HD13      LEU  25  -4.400  -4.224   4.553
  136   1HD2  LEU  25          HD21      LEU  25  -4.977  -7.429   5.413
  137   2HD2  LEU  25          HD22      LEU  25  -3.660  -7.763   6.533
  138   3HD2  LEU  25          HD23      LEU  25  -4.889  -6.570   6.952
  139    H    SER  26           HN       SER  26  -3.766  -7.305   1.091
  140    HA   SER  26           HA       SER  26  -6.551  -6.811   1.007
  141   1HB   SER  26           HB2      SER  26  -4.318  -6.925  -0.897
  142   2HB   SER  26           HB3      SER  26  -5.831  -7.496  -1.577
  143    HG   SER  26           HG       SER  26  -5.164  -4.961  -0.610
  144    H    LEU  27           HN       LEU  27  -4.564  -9.670   0.391
  145    HA   LEU  27           HA       LEU  27  -6.781 -11.260  -0.496
  146   1HB   LEU  27           HB2      LEU  27  -3.896 -11.657  -0.038
  147   2HB   LEU  27           HB3      LEU  27  -4.897 -13.086   0.149
  148    HG   LEU  27           HG       LEU  27  -5.850 -12.397  -2.190
  149   1HD1  LEU  27          HD11      LEU  27  -4.800 -10.802  -3.353
  150   2HD1  LEU  27          HD12      LEU  27  -4.038 -10.322  -1.835
  151   3HD1  LEU  27          HD13      LEU  27  -3.209 -11.432  -2.928
  152   1HD2  LEU  27          HD21      LEU  27  -3.085 -13.551  -1.844
  153   2HD2  LEU  27          HD22      LEU  27  -4.604 -14.437  -1.719
  154   3HD2  LEU  27          HD23      LEU  27  -4.116 -13.742  -3.265
  155    H    ASN  28           HN       ASN  28  -5.194 -10.585   2.513
  156    HA   ASN  28           HA       ASN  28  -6.393 -12.735   3.972
  157   1HB   ASN  28           HB2      ASN  28  -4.264 -11.236   4.476
  158   2HB   ASN  28           HB3      ASN  28  -5.448 -10.258   5.335
  159   1HD2  ASN  28          HD21      ASN  28  -3.724 -13.222   5.226
  160   2HD2  ASN  28          HD22      ASN  28  -4.160 -13.782   6.812
  161    H    LEU  29           HN       LEU  29  -6.897  -9.203   4.035
  162    HA   LEU  29           HA       LEU  29  -9.186  -9.254   5.663
  163   1HB   LEU  29           HB2      LEU  29  -8.179  -7.255   3.657
  164   2HB   LEU  29           HB3      LEU  29  -9.651  -6.990   4.572
  165    HG   LEU  29           HG       LEU  29  -6.971  -7.475   5.860
  166   1HD1  LEU  29          HD11      LEU  29  -8.213  -5.021   4.749
  167   2HD1  LEU  29          HD12      LEU  29  -7.390  -4.882   6.303
  168   3HD1  LEU  29          HD13      LEU  29  -6.509  -5.467   4.886
  169   1HD2  LEU  29          HD21      LEU  29  -9.538  -7.549   6.904
  170   2HD2  LEU  29          HD22      LEU  29  -8.037  -7.349   7.810
  171   3HD2  LEU  29          HD23      LEU  29  -8.957  -5.933   7.304
  172    H    GLY  30           HN       GLY  30  -8.809  -9.444   2.146
  173   1HA   GLY  30           HA1      GLY  30 -11.548  -9.190   1.509
  174   2HA   GLY  30           HA2      GLY  30 -10.329  -9.968   0.504
  175    H    ASN  31           HN       ASN  31  -9.514 -12.033   2.053
  176    HA   ASN  31           HA       ASN  31 -11.625 -13.930   1.746
  177   1HB   ASN  31           HB2      ASN  31  -9.148 -14.381   1.484
  178   2HB   ASN  31           HB3      ASN  31  -9.012 -14.266   3.233
  179   1HD2  ASN  31          HD21      ASN  31  -8.217 -16.347   3.292
  180   2HD2  ASN  31          HD22      ASN  31  -9.250 -17.728   3.124
  181    H    ARG  32           HN       ARG  32 -10.811 -11.728   4.132
  182    HA   ARG  32           HA       ARG  32 -11.914 -13.226   6.378
  183   1HB   ARG  32           HB2      ARG  32  -9.853 -11.664   6.464
  184   2HB   ARG  32           HB3      ARG  32 -11.014 -10.350   6.397
  185   1HG   ARG  32           HG2      ARG  32 -12.056 -11.729   8.432
  186   2HG   ARG  32           HG3      ARG  32 -10.361 -12.190   8.601
  187   1HD   ARG  32           HD2      ARG  32 -10.638 -10.254   9.934
  188   2HD   ARG  32           HD3      ARG  32  -9.798  -9.731   8.473
  189    HE   ARG  32           HE       ARG  32 -12.009  -8.913   7.669
  190   1HH1  ARG  32          HH12      ARG  32 -11.407  -9.278  11.115
  191   2HH1  ARG  32          HH11      ARG  32 -12.684  -8.200  11.582
  192   1HH2  ARG  32          HH22      ARG  32 -13.703  -7.495   8.309
  193   2HH2  ARG  32          HH21      ARG  32 -14.005  -7.221  10.002
  194    H    MET  33           HN       MET  33 -13.067 -11.469   3.856
  195    HA   MET  33           HA       MET  33 -15.284 -10.268   5.362
  196   1HB   MET  33           HB2      MET  33 -13.807  -9.442   3.051
  197   2HB   MET  33           HB3      MET  33 -15.485  -9.687   2.592
  198   1HG   MET  33           HG2      MET  33 -16.222  -7.935   3.792
  199   2HG   MET  33           HG3      MET  33 -15.067  -8.200   5.091
  200   1HE   MET  33           HE1      MET  33 -15.068  -5.015   2.074
  201   2HE   MET  33           HE2      MET  33 -16.336  -6.105   2.634
  202   3HE   MET  33           HE3      MET  33 -15.625  -4.924   3.743
  203    H    VAL  34           HN       VAL  34 -17.471 -10.442   4.285
  204    HA   VAL  34           HA       VAL  34 -17.789 -13.036   2.912
  205    HB   VAL  34           HB       VAL  34 -19.624 -12.039   5.104
  206   1HG1  VAL  34          HG11      VAL  34 -21.022 -13.335   3.888
  207   2HG1  VAL  34          HG12      VAL  34 -19.711 -14.261   3.161
  208   3HG1  VAL  34          HG13      VAL  34 -20.240 -14.622   4.807
  209   1HG2  VAL  34          HG21      VAL  34 -17.170 -13.075   5.552
  210   2HG2  VAL  34          HG22      VAL  34 -18.539 -13.279   6.645
  211   3HG2  VAL  34          HG23      VAL  34 -18.137 -14.548   5.494
  212    HA   PRO  35           HA       PRO  35 -18.353 -13.750   1.283
  213   1HB   PRO  35           HB2      PRO  35 -18.226 -13.451  -1.397
  214   2HB   PRO  35           HB3      PRO  35 -19.697 -13.981  -0.570
  215   1HG   PRO  35           HG2      PRO  35 -18.994 -11.283  -1.652
  216   2HG   PRO  35           HG3      PRO  35 -20.548 -12.133  -1.678
  217   1HD   PRO  35           HD2      PRO  35 -19.894 -10.145   0.114
  218   2HD   PRO  35           HD3      PRO  35 -21.119 -11.396   0.402
  219    HA   PRO  36           HA       PRO  36 -14.169 -12.375   1.212
  220   1HB   PRO  36           HB2      PRO  36 -13.024 -14.283  -0.449
  221   2HB   PRO  36           HB3      PRO  36 -13.302 -14.471   1.284
  222   1HG   PRO  36           HG2      PRO  36 -14.921 -15.436  -1.020
  223   2HG   PRO  36           HG3      PRO  36 -14.572 -16.240   0.520
  224   1HD   PRO  36           HD2      PRO  36 -16.952 -15.092   0.043
  225   2HD   PRO  36           HD3      PRO  36 -16.204 -15.037   1.656
  226    H    VAL  37           HN       VAL  37 -13.243 -10.800   0.176
  227    HA   VAL  37           HA       VAL  37 -13.850 -10.387  -2.649
  228    HB   VAL  37           HB       VAL  37 -12.298  -8.302  -1.313
  229   1HG1  VAL  37          HG11      VAL  37 -15.021  -7.909  -2.453
  230   2HG1  VAL  37          HG12      VAL  37 -13.602  -6.865  -2.517
  231   3HG1  VAL  37          HG13      VAL  37 -13.680  -8.305  -3.530
  232   1HG2  VAL  37          HG21      VAL  37 -13.407  -8.061   0.576
  233   2HG2  VAL  37          HG22      VAL  37 -14.898  -7.833  -0.337
  234   3HG2  VAL  37          HG23      VAL  37 -14.424  -9.447   0.186
  235    H    GLY  38           HN       GLY  38 -12.413 -11.444  -3.880
  236   1HA   GLY  38           HA1      GLY  38  -9.710 -11.952  -3.159
  237   2HA   GLY  38           HA2      GLY  38 -10.421 -12.178  -4.748
  238    H    ASN  39           HN       ASN  39 -11.300  -9.363  -4.783
  239    HA   ASN  39           HA       ASN  39  -8.698  -8.162  -5.402
  240   1HB   ASN  39           HB2      ASN  39  -9.768  -6.849  -7.144
  241   2HB   ASN  39           HB3      ASN  39 -10.116  -8.550  -7.404
  242   1HD2  ASN  39          HD21      ASN  39 -12.246  -9.324  -6.671
  243   2HD2  ASN  39          HD22      ASN  39 -13.588  -8.232  -6.765
  244    H    PHE  40           HN       PHE  40  -9.369  -8.039  -2.871
  245    HA   PHE  40           HA       PHE  40 -11.013  -6.192  -1.744
  246   1HB   PHE  40           HB2      PHE  40  -9.405  -7.684  -0.566
  247   2HB   PHE  40           HB3      PHE  40  -8.104  -6.599  -1.028
  248    HD1  PHE  40           HD1      PHE  40  -7.300  -5.480   0.765
  249    HD2  PHE  40           HD2      PHE  40 -11.505  -6.080   0.470
  250    HE1  PHE  40           HE1      PHE  40  -7.593  -4.245   2.863
  251    HE2  PHE  40           HE2      PHE  40 -11.830  -4.833   2.575
  252    HZ   PHE  40           HZ       PHE  40  -9.880  -3.911   3.772
  253    H    MET  41           HN       MET  41  -7.765  -5.494  -3.004
  254    HA   MET  41           HA       MET  41  -8.647  -2.771  -3.602
  255   1HB   MET  41           HB2      MET  41  -7.202  -2.979  -1.436
  256   2HB   MET  41           HB3      MET  41  -5.874  -3.282  -2.553
  257   1HG   MET  41           HG2      MET  41  -6.112  -0.910  -1.803
  258   2HG   MET  41           HG3      MET  41  -6.092  -1.149  -3.548
  259   1HE   MET  41           HE1      MET  41  -9.422   0.322  -0.867
  260   2HE   MET  41           HE2      MET  41  -7.866  -0.388  -0.429
  261   3HE   MET  41           HE3      MET  41  -7.939   1.240  -1.112
  262    HA   PRO  42           HA       PRO  42  -7.183  -4.278  -7.552
  263   1HB   PRO  42           HB2      PRO  42  -7.153  -1.366  -8.154
  264   2HB   PRO  42           HB3      PRO  42  -7.927  -2.690  -9.029
  265   1HG   PRO  42           HG2      PRO  42  -9.373  -1.024  -7.550
  266   2HG   PRO  42           HG3      PRO  42  -9.742  -2.758  -7.589
  267   1HD   PRO  42           HD2      PRO  42  -8.362  -1.158  -5.483
  268   2HD   PRO  42           HD3      PRO  42  -9.513  -2.499  -5.312
  269    H    ASP  43           HN       ASP  43  -5.269  -4.455  -8.610
  270    HA   ASP  43           HA       ASP  43  -2.883  -3.976  -7.322
  271   1HB   ASP  43           HB2      ASP  43  -2.847  -5.588  -9.038
  272   2HB   ASP  43           HB3      ASP  43  -3.550  -4.481 -10.213
  273    H    SER  44           HN       SER  44  -4.519  -1.963  -9.716
  274    HA   SER  44           HA       SER  44  -2.468  -0.095 -10.096
  275   1HB   SER  44           HB2      SER  44  -4.856   1.292 -10.448
  276   2HB   SER  44           HB3      SER  44  -3.963   0.399 -11.683
  277    HG   SER  44           HG       SER  44  -5.527  -0.983 -11.729
  278    H    ILE  45           HN       ILE  45  -5.152  -0.201  -7.788
  279    HA   ILE  45           HA       ILE  45  -4.561   2.347  -6.635
  280    HB   ILE  45           HB       ILE  45  -6.152   0.098  -5.402
  281   1HG1  ILE  45          HG12      ILE  45  -6.882   0.914  -7.739
  282   2HG1  ILE  45          HG13      ILE  45  -8.090   0.893  -6.468
  283   1HG2  ILE  45          HG21      ILE  45  -7.316   2.223  -4.398
  284   2HG2  ILE  45          HG22      ILE  45  -5.845   1.579  -3.673
  285   3HG2  ILE  45          HG23      ILE  45  -5.758   2.982  -4.741
  286   1HD1  ILE  45          HD11      ILE  45  -7.227   3.069  -8.092
  287   2HD1  ILE  45          HD12      ILE  45  -8.521   3.023  -6.888
  288   3HD1  ILE  45          HD13      ILE  45  -6.881   3.436  -6.405
  289    H    LEU  46           HN       LEU  46  -3.712  -0.990  -5.876
  290    HA   LEU  46           HA       LEU  46  -2.602  -0.529  -3.338
  291   1HB   LEU  46           HB2      LEU  46  -1.911  -2.593  -5.426
  292   2HB   LEU  46           HB3      LEU  46  -1.217  -2.576  -3.817
  293    HG   LEU  46           HG       LEU  46  -4.177  -2.815  -4.343
  294   1HD1  LEU  46          HD11      LEU  46  -3.798  -5.221  -3.724
  295   2HD1  LEU  46          HD12      LEU  46  -3.225  -4.738  -5.318
  296   3HD1  LEU  46          HD13      LEU  46  -2.075  -4.936  -3.992
  297   1HD2  LEU  46          HD21      LEU  46  -3.908  -2.097  -2.149
  298   2HD2  LEU  46          HD22      LEU  46  -4.002  -3.855  -1.999
  299   3HD2  LEU  46          HD23      LEU  46  -2.436  -3.041  -1.917
  300    H    LYS  47           HN       LYS  47  -1.272  -0.280  -6.573
  301    HA   LYS  47           HA       LYS  47   1.414   0.097  -5.778
  302   1HB   LYS  47           HB2      LYS  47  -0.106   0.584  -8.313
  303   2HB   LYS  47           HB3      LYS  47   1.560   1.119  -8.152
  304   1HG   LYS  47           HG2      LYS  47   2.365  -1.054  -7.905
  305   2HG   LYS  47           HG3      LYS  47   0.771  -1.699  -7.526
  306   1HD   LYS  47           HD2      LYS  47   0.115  -1.738  -9.719
  307   2HD   LYS  47           HD3      LYS  47   1.191  -0.414 -10.174
  308   1HE   LYS  47           HE2      LYS  47   2.774  -1.841 -10.790
  309   2HE   LYS  47           HE3      LYS  47   2.721  -2.649  -9.225
  310   1HZ   LYS  47           HZ1      LYS  47   0.557  -3.683 -10.299
  311   2HZ   LYS  47           HZ2      LYS  47   2.086  -4.365 -10.541
  312   3HZ   LYS  47           HZ3      LYS  47   1.404  -3.361 -11.733
  313    H    LYS  48           HN       LYS  48  -1.098   2.484  -6.715
  314    HA   LYS  48           HA       LYS  48   0.643   4.711  -6.384
  315   1HB   LYS  48           HB2      LYS  48  -1.674   5.937  -6.097
  316   2HB   LYS  48           HB3      LYS  48  -1.148   5.343  -7.664
  317   1HG   LYS  48           HG2      LYS  48  -2.520   3.341  -7.355
  318   2HG   LYS  48           HG3      LYS  48  -3.043   3.942  -5.783
  319   1HD   LYS  48           HD2      LYS  48  -4.787   4.549  -7.180
  320   2HD   LYS  48           HD3      LYS  48  -3.831   6.025  -7.073
  321   1HE   LYS  48           HE2      LYS  48  -2.736   5.405  -9.218
  322   2HE   LYS  48           HE3      LYS  48  -3.825   4.022  -9.324
  323   1HZ   LYS  48           HZ1      LYS  48  -5.246   6.457  -8.860
  324   2HZ   LYS  48           HZ2      LYS  48  -5.448   5.315 -10.098
  325   3HZ   LYS  48           HZ3      LYS  48  -4.301   6.555 -10.263
  326    H    MET  49           HN       MET  49  -1.685   3.140  -4.261
  327    HA   MET  49           HA       MET  49  -1.465   4.999  -2.154
  328   1HB   MET  49           HB2      MET  49  -3.138   3.792  -1.297
  329   2HB   MET  49           HB3      MET  49  -3.026   2.777  -2.726
  330   1HG   MET  49           HG2      MET  49  -2.165   1.053  -1.592
  331   2HG   MET  49           HG3      MET  49  -1.161   2.080  -0.570
  332   1HE   MET  49           HE1      MET  49  -4.605   1.084  -1.517
  333   2HE   MET  49           HE2      MET  49  -4.472  -0.230  -0.348
  334   3HE   MET  49           HE3      MET  49  -5.579   1.109  -0.044
  335    H    ALA  50           HN       ALA  50   0.477   2.252  -3.106
  336    HA   ALA  50           HA       ALA  50   1.921   2.116  -0.610
  337   1HB   ALA  50           HB1      ALA  50   3.487   0.818  -2.439
  338   2HB   ALA  50           HB2      ALA  50   2.189   0.077  -1.503
  339   3HB   ALA  50           HB3      ALA  50   1.879   0.648  -3.141
  340    H    ALA  51           HN       ALA  51   2.251   3.764  -3.658
  341    HA   ALA  51           HA       ALA  51   4.999   4.482  -3.226
  342   1HB   ALA  51           HB1      ALA  51   3.759   6.167  -5.158
  343   2HB   ALA  51           HB2      ALA  51   4.945   4.880  -5.392
  344   3HB   ALA  51           HB3      ALA  51   3.222   4.506  -5.405
  345    H    ILE  52           HN       ILE  52   1.887   6.191  -3.066
  346    HA   ILE  52           HA       ILE  52   3.132   8.641  -2.178
  347    HB   ILE  52           HB       ILE  52   0.320   7.743  -2.695
  348   1HG1  ILE  52          HG12      ILE  52   0.584  10.136  -3.898
  349   2HG1  ILE  52          HG13      ILE  52   2.279   9.666  -3.834
  350   1HG2  ILE  52          HG21      ILE  52  -0.104   8.899  -0.713
  351   2HG2  ILE  52          HG22      ILE  52   1.121  10.121  -1.048
  352   3HG2  ILE  52          HG23      ILE  52  -0.385  10.100  -1.973
  353   1HD1  ILE  52          HD11      ILE  52   1.711   7.574  -4.996
  354   2HD1  ILE  52          HD12      ILE  52   0.040   8.122  -5.120
  355   3HD1  ILE  52          HD13      ILE  52   1.321   9.011  -5.940
  356    H    LEU  53           HN       LEU  53   1.361   5.974  -0.788
  357    HA   LEU  53           HA       LEU  53   0.890   5.305   1.320
  358   1HB   LEU  53           HB2      LEU  53   3.548   6.620   1.555
  359   2HB   LEU  53           HB3      LEU  53   2.721   6.171   3.030
  360    HG   LEU  53           HG       LEU  53   3.538   4.321   0.794
  361   1HD1  LEU  53          HD11      LEU  53   5.110   5.277   2.726
  362   2HD1  LEU  53          HD12      LEU  53   4.389   3.918   3.592
  363   3HD1  LEU  53          HD13      LEU  53   5.263   3.642   2.085
  364   1HD2  LEU  53          HD21      LEU  53   2.028   2.853   1.487
  365   2HD2  LEU  53          HD22      LEU  53   2.631   2.972   3.141
  366   3HD2  LEU  53          HD23      LEU  53   1.371   4.072   2.582
  367    HA   PRO  54           HA       PRO  54  -0.946   9.370   2.632
  368   1HB   PRO  54           HB2      PRO  54  -3.570   8.465   2.000
  369   2HB   PRO  54           HB3      PRO  54  -2.628   9.685   1.147
  370   1HG   PRO  54           HG2      PRO  54  -3.356   7.180   0.151
  371   2HG   PRO  54           HG3      PRO  54  -2.122   8.245  -0.534
  372   1HD   PRO  54           HD2      PRO  54  -1.820   5.839   1.184
  373   2HD   PRO  54           HD3      PRO  54  -0.747   6.475  -0.081
  374    H    MET  55           HN       MET  55  -0.693   9.069   4.783
  375    HA   MET  55           HA       MET  55  -1.712   6.861   6.216
  376   1HB   MET  55           HB2      MET  55  -0.489   7.614   7.935
  377   2HB   MET  55           HB3      MET  55   0.235   8.614   6.684
  378   1HG   MET  55           HG2      MET  55  -1.400  10.395   7.288
  379   2HG   MET  55           HG3      MET  55  -1.882   9.393   8.654
  380   1HE   MET  55           HE1      MET  55   1.591   8.924  10.399
  381   2HE   MET  55           HE2      MET  55   0.598   7.992   9.279
  382   3HE   MET  55           HE3      MET  55   2.077   8.765   8.711
  383    H    ASN  56           HN       ASN  56  -3.312   9.698   5.195
  384    HA   ASN  56           HA       ASN  56  -5.662   8.923   6.686
  385   1HB   ASN  56           HB2      ASN  56  -4.117  10.666   8.000
  386   2HB   ASN  56           HB3      ASN  56  -4.999  11.796   6.983
  387   1HD2  ASN  56          HD21      ASN  56  -5.244  11.952   9.661
  388   2HD2  ASN  56          HD22      ASN  56  -6.822  11.441  10.160
  389    H    ASP  57           HN       ASP  57  -7.323  10.975   6.271
  390    HA   ASP  57           HA       ASP  57  -7.835  10.845   3.487
  391   1HB   ASP  57           HB2      ASP  57  -9.383  11.394   5.676
  392   2HB   ASP  57           HB3      ASP  57  -9.168  13.003   4.991
  393    H    SER  58           HN       SER  58  -8.529  13.201   2.543
  394    HA   SER  58           HA       SER  58  -7.822  15.152   1.644
  395   1HB   SER  58           HB2      SER  58  -5.687  15.418   3.726
  396   2HB   SER  58           HB3      SER  58  -6.601  16.693   2.919
  397    HG   SER  58           HG       SER  58  -8.475  15.885   4.050
  398    H    ALA  59           HN       ALA  59  -5.057  13.200   2.763
  399    HA   ALA  59           HA       ALA  59  -3.401  13.957   0.531
  400   1HB   ALA  59           HB1      ALA  59  -3.006  12.649   2.981
  401   2HB   ALA  59           HB2      ALA  59  -2.603  11.466   1.737
  402   3HB   ALA  59           HB3      ALA  59  -1.787  13.030   1.764
  403    H    PHE  60           HN       PHE  60  -5.708  11.498   1.278
  404    HA   PHE  60           HA       PHE  60  -5.175   9.491  -0.541
  405   1HB   PHE  60           HB2      PHE  60  -7.442  10.393   1.052
  406   2HB   PHE  60           HB3      PHE  60  -7.949   9.635  -0.451
  407    HD1  PHE  60           HD1      PHE  60  -8.530   8.543   2.269
  408    HD2  PHE  60           HD2      PHE  60  -5.285   7.914  -0.401
  409    HE1  PHE  60           HE1      PHE  60  -8.161   6.313   3.248
  410    HE2  PHE  60           HE2      PHE  60  -4.896   5.700   0.568
  411    HZ   PHE  60           HZ       PHE  60  -6.329   4.892   2.387
  412    H    ALA  61           HN       ALA  61  -6.444  12.651  -1.139
  413    HA   ALA  61           HA       ALA  61  -7.745  12.228  -3.580
  414   1HB   ALA  61           HB1      ALA  61  -8.207  14.340  -3.041
  415   2HB   ALA  61           HB2      ALA  61  -6.772  14.469  -2.027
  416   3HB   ALA  61           HB3      ALA  61  -6.650  14.754  -3.761
  417    H    THR  62           HN       THR  62  -4.364  12.296  -2.809
  418    HA   THR  62           HA       THR  62  -3.411  12.969  -5.415
  419    HB   THR  62           HB       THR  62  -1.235  12.152  -4.619
  420    HG1  THR  62           HG1      THR  62  -2.513  11.641  -2.127
  421   1HG2  THR  62          HG21      THR  62  -0.854  13.896  -3.091
  422   2HG2  THR  62          HG22      THR  62  -2.503  13.825  -2.466
  423   3HG2  THR  62          HG23      THR  62  -2.197  14.446  -4.087
  424    H    LEU  63           HN       LEU  63  -4.829  10.165  -4.175
  425    HA   LEU  63           HA       LEU  63  -3.385   8.242  -5.740
  426   1HB   LEU  63           HB2      LEU  63  -6.027   8.121  -4.272
  427   2HB   LEU  63           HB3      LEU  63  -5.366   6.757  -5.150
  428    HG   LEU  63           HG       LEU  63  -4.332   8.040  -2.639
  429   1HD1  LEU  63          HD11      LEU  63  -5.207   5.269  -3.420
  430   2HD1  LEU  63          HD12      LEU  63  -4.385   5.642  -1.905
  431   3HD1  LEU  63          HD13      LEU  63  -5.956   6.360  -2.255
  432   1HD2  LEU  63          HD21      LEU  63  -2.863   6.294  -4.598
  433   2HD2  LEU  63          HD22      LEU  63  -2.333   7.802  -3.846
  434   3HD2  LEU  63          HD23      LEU  63  -2.450   6.330  -2.880
  435    H    GLY  64           HN       GLY  64  -5.593  10.632  -6.494
  436   1HA   GLY  64           HA1      GLY  64  -6.049  10.951  -8.880
  437   2HA   GLY  64           HA2      GLY  64  -6.329   9.219  -8.981
  438    H    THR  65           HN       THR  65  -8.363   8.535  -8.881
  439    HA   THR  65           HA       THR  65 -10.331  10.237  -7.533
  440    HB   THR  65           HB       THR  65 -11.842   9.218  -9.538
  441    HG1  THR  65           HG1      THR  65 -10.568   8.628 -11.120
  442   1HG2  THR  65          HG21      THR  65 -10.832  11.640 -10.553
  443   2HG2  THR  65          HG22      THR  65 -10.731  11.762  -8.794
  444   3HG2  THR  65          HG23      THR  65 -12.273  11.403  -9.565
  445    H    VAL  66           HN       VAL  66  -9.810   8.513  -5.854
  446    HA   VAL  66           HA       VAL  66 -10.759   5.870  -6.395
  447    HB   VAL  66           HB       VAL  66 -10.589   5.448  -3.966
  448   1HG1  VAL  66          HG11      VAL  66  -8.098   6.905  -4.754
  449   2HG1  VAL  66          HG12      VAL  66  -8.282   5.391  -3.872
  450   3HG1  VAL  66          HG13      VAL  66  -8.596   5.439  -5.607
  451   1HG2  VAL  66          HG21      VAL  66 -11.062   8.073  -3.590
  452   2HG2  VAL  66          HG22      VAL  66 -10.316   7.024  -2.383
  453   3HG2  VAL  66          HG23      VAL  66  -9.306   8.040  -3.410
  454    H    GLU  67           HN       GLU  67 -12.748   5.092  -6.269
  455    HA   GLU  67           HA       GLU  67 -14.966   6.810  -5.986
  456   1HB   GLU  67           HB2      GLU  67 -14.531   4.274  -6.982
  457   2HB   GLU  67           HB3      GLU  67 -15.510   3.968  -5.554
  458   1HG   GLU  67           HG2      GLU  67 -16.539   6.151  -7.171
  459   2HG   GLU  67           HG3      GLU  67 -16.417   4.630  -8.055
  460    H    ASP  68           HN       ASP  68 -16.709   6.552  -4.435
  461    HA   ASP  68           HA       ASP  68 -15.872   6.802  -1.770
  462   1HB   ASP  68           HB2      ASP  68 -17.999   7.743  -2.721
  463   2HB   ASP  68           HB3      ASP  68 -18.662   6.111  -2.715
  464    H    LYS  69           HN       LYS  69 -17.032   4.108  -3.658
  465    HA   LYS  69           HA       LYS  69 -17.438   2.271  -1.549
  466   1HB   LYS  69           HB2      LYS  69 -17.945   0.791  -3.190
  467   2HB   LYS  69           HB3      LYS  69 -17.939   2.226  -4.207
  468   1HG   LYS  69           HG2      LYS  69 -15.295   1.400  -4.201
  469   2HG   LYS  69           HG3      LYS  69 -16.223  -0.105  -4.279
  470   1HD   LYS  69           HD2      LYS  69 -16.584   2.271  -6.107
  471   2HD   LYS  69           HD3      LYS  69 -15.681   0.813  -6.512
  472   1HE   LYS  69           HE2      LYS  69 -17.552  -0.401  -6.882
  473   2HE   LYS  69           HE3      LYS  69 -18.440   0.374  -5.569
  474   1HZ   LYS  69           HZ1      LYS  69 -17.884   1.657  -8.193
  475   2HZ   LYS  69           HZ2      LYS  69 -18.870   2.267  -6.952
  476   3HZ   LYS  69           HZ3      LYS  69 -19.341   0.883  -7.802
  477    H    TYR  70           HN       TYR  70 -14.582   3.407  -3.205
  478    HA   TYR  70           HA       TYR  70 -12.876   1.309  -2.202
  479   1HB   TYR  70           HB2      TYR  70 -12.365   3.912  -3.630
  480   2HB   TYR  70           HB3      TYR  70 -11.045   2.922  -3.009
  481    HD1  TYR  70           HD1      TYR  70 -13.662   3.210  -5.536
  482    HD2  TYR  70           HD2      TYR  70 -10.553   0.750  -4.008
  483    HE1  TYR  70           HE1      TYR  70 -13.743   1.854  -7.587
  484    HE2  TYR  70           HE2      TYR  70 -10.624  -0.611  -6.049
  485    HH   TYR  70           HH       TYR  70 -12.615  -1.088  -7.870
  486    H    ARG  71           HN       ARG  71 -13.772   4.587  -1.351
  487    HA   ARG  71           HA       ARG  71 -11.887   5.028   0.713
  488   1HB   ARG  71           HB2      ARG  71 -14.195   6.350  -0.373
  489   2HB   ARG  71           HB3      ARG  71 -14.304   6.356   1.371
  490   1HG   ARG  71           HG2      ARG  71 -12.970   8.118   1.395
  491   2HG   ARG  71           HG3      ARG  71 -11.669   7.089   0.780
  492   1HD   ARG  71           HD2      ARG  71 -12.172   7.616  -1.440
  493   2HD   ARG  71           HD3      ARG  71 -13.724   8.325  -1.018
  494    HE   ARG  71           HE       ARG  71 -11.658   9.764   0.241
  495   1HH1  ARG  71          HH12      ARG  71 -13.027   9.169  -2.914
  496   2HH1  ARG  71          HH11      ARG  71 -12.591  10.713  -3.548
  497   1HH2  ARG  71          HH22      ARG  71 -10.971  11.790  -0.621
  498   2HH2  ARG  71          HH21      ARG  71 -11.387  12.204  -2.256
  499    H    ARG  72           HN       ARG  72 -14.988   3.454   0.576
  500    HA   ARG  72           HA       ARG  72 -15.623   3.183   3.268
  501   1HB   ARG  72           HB2      ARG  72 -16.415   2.000   0.745
  502   2HB   ARG  72           HB3      ARG  72 -16.478   0.828   2.055
  503   1HG   ARG  72           HG2      ARG  72 -18.413   1.656   2.625
  504   2HG   ARG  72           HG3      ARG  72 -17.625   3.170   3.051
  505   1HD   ARG  72           HD2      ARG  72 -19.076   3.994   1.496
  506   2HD   ARG  72           HD3      ARG  72 -17.766   3.510   0.417
  507    HE   ARG  72           HE       ARG  72 -19.597   1.373   0.798
  508   1HH1  ARG  72          HH12      ARG  72 -19.377   4.484  -0.832
  509   2HH1  ARG  72          HH11      ARG  72 -20.337   3.971  -2.189
  510   1HH2  ARG  72          HH22      ARG  72 -20.905   0.731  -0.945
  511   2HH2  ARG  72          HH21      ARG  72 -21.227   1.841  -2.247
  512    H    ARG  73           HN       ARG  73 -14.257   0.557   1.266
  513    HA   ARG  73           HA       ARG  73 -13.419  -0.864   3.603
  514   1HB   ARG  73           HB2      ARG  73 -13.128  -2.630   2.224
  515   2HB   ARG  73           HB3      ARG  73 -14.062  -1.647   1.108
  516   1HG   ARG  73           HG2      ARG  73 -11.073  -1.483   1.134
  517   2HG   ARG  73           HG3      ARG  73 -11.902  -2.797   0.294
  518   1HD   ARG  73           HD2      ARG  73 -12.211   0.157  -0.175
  519   2HD   ARG  73           HD3      ARG  73 -11.453  -1.013  -1.262
  520    HE   ARG  73           HE       ARG  73 -14.324  -0.661  -0.780
  521   1HH1  ARG  73          HH12      ARG  73 -11.775  -2.394  -2.451
  522   2HH1  ARG  73          HH11      ARG  73 -12.848  -3.082  -3.634
  523   1HH2  ARG  73          HH22      ARG  73 -15.738  -1.602  -2.303
  524   2HH2  ARG  73          HH21      ARG  73 -15.090  -2.623  -3.553
  525    H    PHE  74           HN       PHE  74 -12.209   1.786   2.136
  526    HA   PHE  74           HA       PHE  74  -9.415   1.309   2.035
  527   1HB   PHE  74           HB2      PHE  74 -11.130   3.534   1.666
  528   2HB   PHE  74           HB3      PHE  74  -9.941   4.004   2.873
  529    HD1  PHE  74           HD1      PHE  74 -10.321   5.105   0.032
  530    HD2  PHE  74           HD2      PHE  74  -7.755   2.135   1.675
  531    HE1  PHE  74           HE1      PHE  74  -8.705   5.496  -1.785
  532    HE2  PHE  74           HE2      PHE  74  -6.134   2.527  -0.132
  533    HZ   PHE  74           HZ       PHE  74  -6.555   4.353  -1.781
  534    H    LYS  75           HN       LYS  75 -11.601   2.176   4.618
  535    HA   LYS  75           HA       LYS  75  -9.832   3.001   6.584
  536   1HB   LYS  75           HB2      LYS  75 -11.558   2.352   8.184
  537   2HB   LYS  75           HB3      LYS  75 -12.274   3.141   6.781
  538   1HG   LYS  75           HG2      LYS  75 -12.956   1.029   5.866
  539   2HG   LYS  75           HG3      LYS  75 -12.118   0.164   7.164
  540   1HD   LYS  75           HD2      LYS  75 -13.908   2.101   8.282
  541   2HD   LYS  75           HD3      LYS  75 -14.780   1.071   7.146
  542   1HE   LYS  75           HE2      LYS  75 -14.974  -0.128   9.108
  543   2HE   LYS  75           HE3      LYS  75 -13.541  -0.865   8.386
  544   1HZ   LYS  75           HZ1      LYS  75 -13.630   0.031  10.879
  545   2HZ   LYS  75           HZ2      LYS  75 -13.057   1.428  10.106
  546   3HZ   LYS  75           HZ3      LYS  75 -12.200  -0.026   9.970
  547    H    TYR  76           HN       TYR  76 -10.333  -0.206   5.341
  548    HA   TYR  76           HA       TYR  76  -9.282  -1.569   7.639
  549   1HB   TYR  76           HB2      TYR  76  -9.878  -2.454   4.819
  550   2HB   TYR  76           HB3      TYR  76  -9.159  -3.531   6.012
  551    HD1  TYR  76           HD1      TYR  76 -12.184  -2.290   4.666
  552    HD2  TYR  76           HD2      TYR  76 -10.456  -3.789   8.250
  553    HE1  TYR  76           HE1      TYR  76 -14.430  -2.839   5.504
  554    HE2  TYR  76           HE2      TYR  76 -12.695  -4.343   9.101
  555    HH   TYR  76           HH       TYR  76 -15.186  -4.835   7.545
  556    H    PHE  77           HN       PHE  77  -7.877   0.285   5.259
  557    HA   PHE  77           HA       PHE  77  -5.287  -1.114   5.487
  558   1HB   PHE  77           HB2      PHE  77  -6.548   0.547   3.344
  559   2HB   PHE  77           HB3      PHE  77  -4.803   0.582   3.500
  560    HD1  PHE  77           HD1      PHE  77  -7.213  -0.669   1.583
  561    HD2  PHE  77           HD2      PHE  77  -3.959  -2.101   3.920
  562    HE1  PHE  77           HE1      PHE  77  -7.072  -2.663   0.150
  563    HE2  PHE  77           HE2      PHE  77  -3.820  -4.104   2.494
  564    HZ   PHE  77           HZ       PHE  77  -5.370  -4.383   0.603
  565    H    LYS  78           HN       LYS  78  -7.037   1.696   6.306
  566    HA   LYS  78           HA       LYS  78  -5.225   3.730   6.287
  567   1HB   LYS  78           HB2      LYS  78  -7.627   3.122   7.880
  568   2HB   LYS  78           HB3      LYS  78  -6.568   4.376   8.515
  569   1HG   LYS  78           HG2      LYS  78  -7.029   4.683   5.673
  570   2HG   LYS  78           HG3      LYS  78  -8.530   4.698   6.606
  571   1HD   LYS  78           HD2      LYS  78  -7.157   6.323   8.159
  572   2HD   LYS  78           HD3      LYS  78  -6.217   6.577   6.683
  573   1HE   LYS  78           HE2      LYS  78  -7.757   8.103   6.151
  574   2HE   LYS  78           HE3      LYS  78  -8.812   6.733   5.797
  575   1HZ   LYS  78           HZ1      LYS  78  -9.875   6.917   7.829
  576   2HZ   LYS  78           HZ2      LYS  78  -9.654   8.534   7.378
  577   3HZ   LYS  78           HZ3      LYS  78  -8.627   7.825   8.530
  578    H    ALA  79           HN       ALA  79  -5.302   1.104   8.653
  579    HA   ALA  79           HA       ALA  79  -3.443   2.512  10.379
  580   1HB   ALA  79           HB1      ALA  79  -4.659   1.155  11.727
  581   2HB   ALA  79           HB2      ALA  79  -4.848  -0.095  10.502
  582   3HB   ALA  79           HB3      ALA  79  -3.328   0.049  11.386
  583    H    THR  80           HN       THR  80  -3.364   0.098   7.878
  584    HA   THR  80           HA       THR  80  -0.653  -0.687   8.288
  585    HB   THR  80           HB       THR  80  -2.012  -0.995   5.644
  586    HG1  THR  80           HG1      THR  80  -2.683  -2.897   7.550
  587   1HG2  THR  80          HG21      THR  80  -1.053  -3.436   6.648
  588   2HG2  THR  80          HG22      THR  80   0.153  -2.231   7.102
  589   3HG2  THR  80          HG23      THR  80  -0.310  -2.424   5.412
  590    H    ILE  81           HN       ILE  81  -2.289   1.514   6.005
  591    HA   ILE  81           HA       ILE  81  -0.010   2.259   4.539
  592    HB   ILE  81           HB       ILE  81  -2.318   4.129   5.107
  593   1HG1  ILE  81          HG12      ILE  81  -2.318   2.270   2.745
  594   2HG1  ILE  81          HG13      ILE  81  -2.902   1.688   4.301
  595   1HG2  ILE  81          HG21      ILE  81  -1.565   4.296   2.452
  596   2HG2  ILE  81          HG22      ILE  81  -1.129   5.415   3.743
  597   3HG2  ILE  81          HG23      ILE  81  -0.040   4.097   3.313
  598   1HD1  ILE  81          HD11      ILE  81  -4.543   2.741   2.558
  599   2HD1  ILE  81          HD12      ILE  81  -4.738   3.054   4.284
  600   3HD1  ILE  81          HD13      ILE  81  -3.972   4.261   3.248
  601    H    ALA  82           HN       ALA  82  -1.391   3.474   7.538
  602    HA   ALA  82           HA       ALA  82   0.285   5.729   7.820
  603   1HB   ALA  82           HB1      ALA  82  -0.586   4.456  10.313
  604   2HB   ALA  82           HB2      ALA  82  -0.868   6.092   9.718
  605   3HB   ALA  82           HB3      ALA  82  -1.885   4.766   9.162
  606    H    ASP  83           HN       ASP  83   0.491   2.418   9.068
  607    HA   ASP  83           HA       ASP  83   2.923   2.776  10.463
  608   1HB   ASP  83           HB2      ASP  83   2.075   0.831  11.224
  609   2HB   ASP  83           HB3      ASP  83   1.146   0.562   9.756
  610    H    LEU  84           HN       LEU  84   2.183   1.662   7.187
  611    HA   LEU  84           HA       LEU  84   4.806   0.970   6.434
  612   1HB   LEU  84           HB2      LEU  84   2.330   1.742   4.928
  613   2HB   LEU  84           HB3      LEU  84   3.850   1.541   4.076
  614    HG   LEU  84           HG       LEU  84   2.785  -0.631   5.846
  615   1HD1  LEU  84          HD11      LEU  84   0.976  -0.166   4.337
  616   2HD1  LEU  84          HD12      LEU  84   2.082  -0.096   2.966
  617   3HD1  LEU  84          HD13      LEU  84   1.801  -1.629   3.796
  618   1HD2  LEU  84          HD21      LEU  84   4.856  -1.320   5.276
  619   2HD2  LEU  84          HD22      LEU  84   4.052  -1.812   3.788
  620   3HD2  LEU  84          HD23      LEU  84   4.934  -0.285   3.850
  621    H    SER  85           HN       SER  85   3.101   4.015   6.551
  622    HA   SER  85           HA       SER  85   4.947   5.483   4.974
  623   1HB   SER  85           HB2      SER  85   2.461   5.971   5.769
  624   2HB   SER  85           HB3      SER  85   3.314   6.915   6.990
  625    HG   SER  85           HG       SER  85   2.815   7.532   4.448
  626    H    LYS  86           HN       LYS  86   4.725   4.682   8.364
  627    HA   LYS  86           HA       LYS  86   6.813   6.549   9.111
  628   1HB   LYS  86           HB2      LYS  86   4.869   4.870  10.491
  629   2HB   LYS  86           HB3      LYS  86   6.455   4.826  11.250
  630   1HG   LYS  86           HG2      LYS  86   6.456   7.205  11.516
  631   2HG   LYS  86           HG3      LYS  86   4.972   7.355  10.580
  632   1HD   LYS  86           HD2      LYS  86   4.739   5.548  12.861
  633   2HD   LYS  86           HD3      LYS  86   5.133   7.210  13.306
  634   1HE   LYS  86           HE2      LYS  86   3.234   7.983  11.920
  635   2HE   LYS  86           HE3      LYS  86   2.810   6.302  11.609
  636   1HZ   LYS  86           HZ1      LYS  86   2.536   7.878  14.062
  637   2HZ   LYS  86           HZ2      LYS  86   2.836   6.214  14.216
  638   3HZ   LYS  86           HZ3      LYS  86   1.465   6.756  13.371
  639    H    LYS  87           HN       LYS  87   6.550   3.240   8.138
  640    HA   LYS  87           HA       LYS  87   9.066   2.400   9.209
  641   1HB   LYS  87           HB2      LYS  87   7.192   1.203   7.158
  642   2HB   LYS  87           HB3      LYS  87   8.639   0.410   7.744
  643   1HG   LYS  87           HG2      LYS  87   6.938   1.287   9.911
  644   2HG   LYS  87           HG3      LYS  87   6.110   0.195   8.796
  645   1HD   LYS  87           HD2      LYS  87   7.278  -1.580   9.495
  646   2HD   LYS  87           HD3      LYS  87   8.806  -0.693   9.484
  647   1HE   LYS  87           HE2      LYS  87   8.099  -1.504  11.739
  648   2HE   LYS  87           HE3      LYS  87   8.367   0.234  11.633
  649   1HZ   LYS  87           HZ1      LYS  87   5.662  -0.357  11.033
  650   2HZ   LYS  87           HZ2      LYS  87   6.297   0.602  12.283
  651   3HZ   LYS  87           HZ3      LYS  87   6.086  -1.059  12.520
  652    H    ARG  88           HN       ARG  88   7.834   3.581   6.149
  653    HA   ARG  88           HA       ARG  88  10.336   3.251   4.746
  654   1HB   ARG  88           HB2      ARG  88   7.690   3.471   3.989
  655   2HB   ARG  88           HB3      ARG  88   8.362   5.026   3.520
  656   1HG   ARG  88           HG2      ARG  88  10.095   3.866   2.233
  657   2HG   ARG  88           HG3      ARG  88   9.371   2.321   2.686
  658   1HD   ARG  88           HD2      ARG  88   8.298   2.580   0.720
  659   2HD   ARG  88           HD3      ARG  88   7.203   3.538   1.714
  660    HE   ARG  88           HE       ARG  88   9.404   4.990   0.474
  661   1HH1  ARG  88          HH12      ARG  88   6.012   4.125   0.352
  662   2HH1  ARG  88          HH11      ARG  88   5.602   5.373  -0.773
  663   1HH2  ARG  88          HH22      ARG  88   8.835   6.679  -0.982
  664   2HH2  ARG  88          HH21      ARG  88   7.186   6.822  -1.512
  665    H    SER  89           HN       SER  89  10.927   4.744   6.936
  666    HA   SER  89           HA       SER  89  10.889   7.557   6.150
  667   1HB   SER  89           HB2      SER  89  11.848   6.227   8.691
  668   2HB   SER  89           HB3      SER  89  11.811   7.964   8.410
  669    HG   SER  89           HG       SER  89   9.702   6.167   8.834
  670    H    SER  90           HN       SER  90  13.316   5.219   7.313
  671    HA   SER  90           HA       SER  90  15.328   6.665   5.714
  672   1HB   SER  90           HB2      SER  90  16.383   4.911   7.796
  673   2HB   SER  90           HB3      SER  90  16.745   6.605   7.462
  674    HG   SER  90           HG       SER  90  15.031   5.502   9.297
  675    H    GLU  91           HN       GLU  91  13.540   3.899   5.919
  676    HA   GLU  91           HA       GLU  91  15.489   1.992   5.058
  677   1HB   GLU  91           HB2      GLU  91  12.506   2.033   5.364
  678   2HB   GLU  91           HB3      GLU  91  13.252   0.760   4.405
  679   1HG   GLU  91           HG2      GLU  91  14.626   1.034   6.907
  680   2HG   GLU  91           HG3      GLU  91  12.894   0.863   7.184
  Start of MODEL    8
    1    H    GLU  11           HN       GLU  11  17.715   3.833  -1.906
    2    HA   GLU  11           HA       GLU  11  16.612   3.034  -3.736
    3   1HB   GLU  11           HB2      GLU  11  19.184   3.074  -4.503
    4   2HB   GLU  11           HB3      GLU  11  18.916   1.340  -4.597
    5   1HG   GLU  11           HG2      GLU  11  16.828   2.020  -6.005
    6   2HG   GLU  11           HG3      GLU  11  17.698   3.544  -6.202
    7    H    LEU  12           HN       LEU  12  16.351   1.774  -1.298
    8    HA   LEU  12           HA       LEU  12  16.520  -1.068  -1.520
    9   1HB   LEU  12           HB2      LEU  12  15.038   0.697   0.422
   10   2HB   LEU  12           HB3      LEU  12  15.212  -1.037   0.585
   11    HG   LEU  12           HG       LEU  12  17.720   0.521   0.330
   12   1HD1  LEU  12          HD11      LEU  12  16.033   1.740   1.909
   13   2HD1  LEU  12          HD12      LEU  12  16.406   0.416   3.015
   14   3HD1  LEU  12          HD13      LEU  12  17.695   1.474   2.436
   15   1HD2  LEU  12          HD21      LEU  12  16.930  -2.077   1.029
   16   2HD2  LEU  12          HD22      LEU  12  18.560  -1.403   1.076
   17   3HD2  LEU  12          HD23      LEU  12  17.532  -1.342   2.513
   18    H    ASN  13           HN       ASN  13  14.496  -2.379  -1.020
   19    HA   ASN  13           HA       ASN  13  12.485  -1.739  -3.030
   20   1HB   ASN  13           HB2      ASN  13  13.656  -4.160  -1.957
   21   2HB   ASN  13           HB3      ASN  13  11.901  -4.235  -1.861
   22   1HD2  ASN  13          HD21      ASN  13  12.207  -5.990  -3.405
   23   2HD2  ASN  13          HD22      ASN  13  12.339  -5.606  -5.089
   24    H    ASN  14           HN       ASN  14  12.328  -0.043  -0.974
   25    HA   ASN  14           HA       ASN  14  10.664  -0.861   1.166
   26   1HB   ASN  14           HB2      ASN  14  12.126   1.191   1.158
   27   2HB   ASN  14           HB3      ASN  14  10.985   1.934   0.046
   28   1HD2  ASN  14          HD21      ASN  14  11.460   0.767   3.308
   29   2HD2  ASN  14          HD22      ASN  14  10.111   1.604   3.999
   30    H    LEU  15           HN       LEU  15  10.031   0.760  -1.939
   31    HA   LEU  15           HA       LEU  15   7.252   1.081  -1.570
   32   1HB   LEU  15           HB2      LEU  15   9.054   1.813  -3.481
   33   2HB   LEU  15           HB3      LEU  15   8.176   0.552  -4.322
   34    HG   LEU  15           HG       LEU  15   6.614   2.696  -2.955
   35   1HD1  LEU  15          HD11      LEU  15   6.782   3.835  -5.330
   36   2HD1  LEU  15          HD12      LEU  15   7.960   4.185  -4.067
   37   3HD1  LEU  15          HD13      LEU  15   8.353   3.033  -5.344
   38   1HD2  LEU  15          HD21      LEU  15   5.377   0.887  -3.930
   39   2HD2  LEU  15          HD22      LEU  15   5.156   2.322  -4.931
   40   3HD2  LEU  15          HD23      LEU  15   6.258   1.047  -5.452
   41    H    ARG  16           HN       ARG  16   9.216  -1.556  -2.850
   42    HA   ARG  16           HA       ARG  16   7.048  -3.145  -3.741
   43   1HB   ARG  16           HB2      ARG  16   9.618  -3.331  -4.228
   44   2HB   ARG  16           HB3      ARG  16   9.594  -4.357  -2.804
   45   1HG   ARG  16           HG2      ARG  16   7.469  -5.066  -4.592
   46   2HG   ARG  16           HG3      ARG  16   9.025  -5.112  -5.419
   47   1HD   ARG  16           HD2      ARG  16   9.363  -6.289  -2.856
   48   2HD   ARG  16           HD3      ARG  16   7.908  -6.974  -3.575
   49    HE   ARG  16           HE       ARG  16  10.573  -7.037  -4.858
   50   1HH1  ARG  16          HH12      ARG  16   7.461  -8.462  -4.146
   51   2HH1  ARG  16          HH11      ARG  16   7.752  -9.904  -5.067
   52   1HH2  ARG  16          HH22      ARG  16  10.963  -8.916  -6.109
   53   2HH2  ARG  16          HH21      ARG  16   9.737 -10.154  -6.207
   54    H    MET  17           HN       MET  17   8.830  -2.918  -0.701
   55    HA   MET  17           HA       MET  17   7.664  -5.132   0.583
   56   1HB   MET  17           HB2      MET  17   9.663  -3.881   1.397
   57   2HB   MET  17           HB3      MET  17   8.602  -2.561   1.872
   58   1HG   MET  17           HG2      MET  17   7.759  -5.121   2.939
   59   2HG   MET  17           HG3      MET  17   9.384  -4.663   3.452
   60   1HE   MET  17           HE1      MET  17   8.298  -0.875   4.611
   61   2HE   MET  17           HE2      MET  17   9.715  -1.854   4.218
   62   3HE   MET  17           HE3      MET  17   8.573  -1.403   2.951
   63    H    THR  18           HN       THR  18   6.726  -1.758   0.340
   64    HA   THR  18           HA       THR  18   4.482  -1.812   2.045
   65    HB   THR  18           HB       THR  18   4.790  -0.040  -0.384
   66    HG1  THR  18           HG1      THR  18   6.739  -0.040   0.918
   67   1HG2  THR  18          HG21      THR  18   3.590   1.607   0.975
   68   2HG2  THR  18          HG22      THR  18   3.492   0.450   2.302
   69   3HG2  THR  18          HG23      THR  18   2.644   0.128   0.790
   70    H    TYR  19           HN       TYR  19   4.870  -2.291  -1.447
   71    HA   TYR  19           HA       TYR  19   2.127  -2.643  -2.012
   72   1HB   TYR  19           HB2      TYR  19   3.732  -2.078  -3.755
   73   2HB   TYR  19           HB3      TYR  19   4.581  -3.599  -3.504
   74    HD1  TYR  19           HD1      TYR  19   1.521  -2.045  -4.831
   75    HD2  TYR  19           HD2      TYR  19   3.757  -5.652  -4.456
   76    HE1  TYR  19           HE1      TYR  19   0.105  -3.093  -6.538
   77    HE2  TYR  19           HE2      TYR  19   2.332  -6.705  -6.162
   78    HH   TYR  19           HH       TYR  19   0.354  -6.518  -7.287
   79    H    GLU  20           HN       GLU  20   4.738  -4.899  -1.238
   80    HA   GLU  20           HA       GLU  20   3.328  -7.293  -1.665
   81   1HB   GLU  20           HB2      GLU  20   5.722  -6.540  -0.025
   82   2HB   GLU  20           HB3      GLU  20   5.033  -8.147   0.095
   83   1HG   GLU  20           HG2      GLU  20   5.317  -7.563  -2.651
   84   2HG   GLU  20           HG3      GLU  20   6.816  -7.103  -1.846
   85    H    ARG  21           HN       ARG  21   3.784  -5.346   1.281
   86    HA   ARG  21           HA       ARG  21   2.326  -7.075   2.978
   87   1HB   ARG  21           HB2      ARG  21   3.882  -5.048   3.531
   88   2HB   ARG  21           HB3      ARG  21   2.396  -4.115   3.428
   89   1HG   ARG  21           HG2      ARG  21   1.900  -4.687   5.501
   90   2HG   ARG  21           HG3      ARG  21   1.885  -6.389   5.034
   91   1HD   ARG  21           HD2      ARG  21   3.625  -6.638   6.410
   92   2HD   ARG  21           HD3      ARG  21   4.573  -5.790   5.191
   93    HE   ARG  21           HE       ARG  21   3.194  -4.127   7.149
   94   1HH1  ARG  21          HH12      ARG  21   6.177  -5.662   6.119
   95   2HH1  ARG  21          HH11      ARG  21   7.188  -4.640   7.100
   96   1HH2  ARG  21          HH22      ARG  21   4.519  -2.805   8.468
   97   2HH2  ARG  21          HH21      ARG  21   6.247  -3.037   8.453
   98    H    LEU  22           HN       LEU  22   1.364  -4.430   0.860
   99    HA   LEU  22           HA       LEU  22  -1.321  -4.257   1.839
  100   1HB   LEU  22           HB2      LEU  22   0.202  -3.215  -0.498
  101   2HB   LEU  22           HB3      LEU  22  -1.540  -3.212  -0.600
  102    HG   LEU  22           HG       LEU  22  -0.295  -1.996   1.816
  103   1HD1  LEU  22          HD11      LEU  22  -0.342  -0.720  -0.920
  104   2HD1  LEU  22          HD12      LEU  22  -0.047   0.139   0.595
  105   3HD1  LEU  22          HD13      LEU  22   1.086  -1.096   0.042
  106   1HD2  LEU  22          HD21      LEU  22  -2.839  -2.047   0.441
  107   2HD2  LEU  22          HD22      LEU  22  -2.452  -1.483   2.070
  108   3HD2  LEU  22          HD23      LEU  22  -2.279  -0.393   0.694
  109    H    ARG  23           HN       ARG  23   0.252  -5.981  -0.832
  110    HA   ARG  23           HA       ARG  23  -2.157  -6.958  -1.974
  111   1HB   ARG  23           HB2      ARG  23   0.034  -6.898  -3.153
  112   2HB   ARG  23           HB3      ARG  23   0.600  -8.187  -2.100
  113   1HG   ARG  23           HG2      ARG  23  -0.416  -9.756  -3.298
  114   2HG   ARG  23           HG3      ARG  23  -1.915  -8.830  -3.397
  115   1HD   ARG  23           HD2      ARG  23  -1.381  -7.924  -5.390
  116   2HD   ARG  23           HD3      ARG  23   0.336  -7.811  -5.000
  117    HE   ARG  23           HE       ARG  23  -1.058 -10.169  -6.087
  118   1HH1  ARG  23          HH12      ARG  23   1.923  -8.587  -5.144
  119   2HH1  ARG  23          HH11      ARG  23   2.948  -9.752  -5.915
  120   1HH2  ARG  23          HH22      ARG  23   0.339 -11.749  -7.092
  121   2HH2  ARG  23          HH21      ARG  23   2.061 -11.524  -7.020
  122    H    GLU  24           HN       GLU  24   0.060  -8.270   0.449
  123    HA   GLU  24           HA       GLU  24  -1.263 -10.777   0.690
  124   1HB   GLU  24           HB2      GLU  24   1.116 -10.010   1.506
  125   2HB   GLU  24           HB3      GLU  24   0.250  -9.557   2.962
  126   1HG   GLU  24           HG2      GLU  24  -0.505 -12.186   2.144
  127   2HG   GLU  24           HG3      GLU  24   1.241 -12.050   2.299
  128    H    LEU  25           HN       LEU  25  -1.641  -7.645   2.204
  129    HA   LEU  25           HA       LEU  25  -3.447  -8.523   4.225
  130   1HB   LEU  25           HB2      LEU  25  -2.005  -6.236   3.766
  131   2HB   LEU  25           HB3      LEU  25  -3.631  -5.715   3.383
  132    HG   LEU  25           HG       LEU  25  -2.402  -6.236   5.970
  133   1HD1  LEU  25          HD11      LEU  25  -4.689  -4.680   4.876
  134   2HD1  LEU  25          HD12      LEU  25  -4.436  -4.830   6.615
  135   3HD1  LEU  25          HD13      LEU  25  -3.188  -4.104   5.604
  136   1HD2  LEU  25          HD21      LEU  25  -4.935  -6.869   6.691
  137   2HD2  LEU  25          HD22      LEU  25  -4.773  -7.780   5.190
  138   3HD2  LEU  25          HD23      LEU  25  -3.630  -8.044   6.505
  139    H    SER  26           HN       SER  26  -3.757  -7.288   0.953
  140    HA   SER  26           HA       SER  26  -6.545  -6.814   0.971
  141   1HB   SER  26           HB2      SER  26  -4.767  -7.592  -1.369
  142   2HB   SER  26           HB3      SER  26  -6.377  -6.892  -1.487
  143    HG   SER  26           HG       SER  26  -4.106  -5.657  -0.318
  144    H    LEU  27           HN       LEU  27  -4.594  -9.671   0.350
  145    HA   LEU  27           HA       LEU  27  -6.750 -11.303  -0.563
  146   1HB   LEU  27           HB2      LEU  27  -3.898 -11.559  -0.094
  147   2HB   LEU  27           HB3      LEU  27  -4.766 -12.984   0.427
  148    HG   LEU  27           HG       LEU  27  -5.871 -12.845  -1.942
  149   1HD1  LEU  27          HD11      LEU  27  -3.252 -11.468  -2.451
  150   2HD1  LEU  27          HD12      LEU  27  -4.463 -11.947  -3.641
  151   3HD1  LEU  27          HD13      LEU  27  -4.828 -10.668  -2.488
  152   1HD2  LEU  27          HD21      LEU  27  -4.669 -14.675  -2.282
  153   2HD2  LEU  27          HD22      LEU  27  -3.168 -13.746  -2.364
  154   3HD2  LEU  27          HD23      LEU  27  -3.790 -14.269  -0.807
  155    H    ASN  28           HN       ASN  28  -5.265 -10.615   2.529
  156    HA   ASN  28           HA       ASN  28  -6.602 -12.742   3.896
  157   1HB   ASN  28           HB2      ASN  28  -4.397 -11.323   4.470
  158   2HB   ASN  28           HB3      ASN  28  -5.559 -10.444   5.449
  159   1HD2  ASN  28          HD21      ASN  28  -3.735 -13.316   5.074
  160   2HD2  ASN  28          HD22      ASN  28  -4.242 -14.101   6.529
  161    H    LEU  29           HN       LEU  29  -6.960  -9.191   3.969
  162    HA   LEU  29           HA       LEU  29  -9.236  -9.166   5.633
  163   1HB   LEU  29           HB2      LEU  29  -8.218  -7.136   3.643
  164   2HB   LEU  29           HB3      LEU  29  -9.574  -6.844   4.719
  165    HG   LEU  29           HG       LEU  29  -6.785  -7.514   5.670
  166   1HD1  LEU  29          HD11      LEU  29  -7.735  -4.834   6.172
  167   2HD1  LEU  29          HD12      LEU  29  -6.210  -5.379   5.468
  168   3HD1  LEU  29          HD13      LEU  29  -7.629  -5.179   4.443
  169   1HD2  LEU  29          HD21      LEU  29  -8.556  -6.056   7.444
  170   2HD2  LEU  29          HD22      LEU  29  -9.229  -7.621   6.989
  171   3HD2  LEU  29          HD23      LEU  29  -7.635  -7.529   7.740
  172    H    GLY  30           HN       GLY  30  -8.830  -9.472   2.182
  173   1HA   GLY  30           HA1      GLY  30 -11.446  -8.925   1.375
  174   2HA   GLY  30           HA2      GLY  30 -10.318  -9.950   0.502
  175    H    ASN  31           HN       ASN  31 -10.078 -11.879   2.701
  176    HA   ASN  31           HA       ASN  31 -12.647 -13.245   2.287
  177   1HB   ASN  31           HB2      ASN  31 -10.296 -14.271   1.743
  178   2HB   ASN  31           HB3      ASN  31 -10.206 -14.535   3.484
  179   1HD2  ASN  31          HD21      ASN  31 -10.146 -16.799   2.988
  180   2HD2  ASN  31          HD22      ASN  31 -11.624 -17.646   2.645
  181    H    ARG  32           HN       ARG  32 -10.961 -11.479   4.612
  182    HA   ARG  32           HA       ARG  32 -12.186 -12.857   6.880
  183   1HB   ARG  32           HB2      ARG  32  -9.764 -11.685   6.651
  184   2HB   ARG  32           HB3      ARG  32 -10.678 -10.344   7.322
  185   1HG   ARG  32           HG2      ARG  32 -10.683 -11.243   9.346
  186   2HG   ARG  32           HG3      ARG  32 -11.210 -12.808   8.728
  187   1HD   ARG  32           HD2      ARG  32  -8.831 -13.169   7.981
  188   2HD   ARG  32           HD3      ARG  32  -8.406 -11.747   8.939
  189    HE   ARG  32           HE       ARG  32  -9.622 -14.205  10.053
  190   1HH1  ARG  32          HH12      ARG  32  -7.467 -11.467  10.278
  191   2HH1  ARG  32          HH11      ARG  32  -6.962 -11.818  11.903
  192   1HH2  ARG  32          HH22      ARG  32  -8.889 -14.762  12.163
  193   2HH2  ARG  32          HH21      ARG  32  -7.750 -13.713  12.965
  194    H    MET  33           HN       MET  33 -13.114 -10.597   4.695
  195    HA   MET  33           HA       MET  33 -14.548  -8.870   6.548
  196   1HB   MET  33           HB2      MET  33 -13.361  -8.315   4.180
  197   2HB   MET  33           HB3      MET  33 -15.003  -8.625   3.632
  198   1HG   MET  33           HG2      MET  33 -15.832  -6.773   4.585
  199   2HG   MET  33           HG3      MET  33 -14.729  -6.848   5.959
  200   1HE   MET  33           HE1      MET  33 -14.481  -4.204   2.378
  201   2HE   MET  33           HE2      MET  33 -15.510  -5.627   2.501
  202   3HE   MET  33           HE3      MET  33 -15.692  -4.315   3.663
  203    H    VAL  34           HN       VAL  34 -16.862  -8.472   6.257
  204    HA   VAL  34           HA       VAL  34 -18.290 -10.869   5.302
  205    HB   VAL  34           HB       VAL  34 -19.322  -9.158   7.542
  206   1HG1  VAL  34          HG11      VAL  34 -19.837 -12.072   7.283
  207   2HG1  VAL  34          HG12      VAL  34 -20.889 -10.784   7.862
  208   3HG1  VAL  34          HG13      VAL  34 -20.618 -10.985   6.132
  209   1HG2  VAL  34          HG21      VAL  34 -17.818  -9.924   8.994
  210   2HG2  VAL  34          HG22      VAL  34 -18.323 -11.574   8.620
  211   3HG2  VAL  34          HG23      VAL  34 -17.010 -10.825   7.713
  212    HA   PRO  35           HA       PRO  35 -19.210 -11.444   3.853
  213   1HB   PRO  35           HB2      PRO  35 -19.986 -11.434   1.297
  214   2HB   PRO  35           HB3      PRO  35 -21.183 -11.357   2.599
  215   1HG   PRO  35           HG2      PRO  35 -20.106  -9.161   0.877
  216   2HG   PRO  35           HG3      PRO  35 -21.771  -9.450   1.408
  217   1HD   PRO  35           HD2      PRO  35 -20.016  -7.661   2.579
  218   2HD   PRO  35           HD3      PRO  35 -21.444  -8.351   3.374
  219    HA   PRO  36           HA       PRO  36 -15.149 -11.398   2.030
  220   1HB   PRO  36           HB2      PRO  36 -16.214 -13.189  -0.120
  221   2HB   PRO  36           HB3      PRO  36 -14.761 -13.374   0.872
  222   1HG   PRO  36           HG2      PRO  36 -16.885 -14.807   1.435
  223   2HG   PRO  36           HG3      PRO  36 -15.989 -14.031   2.753
  224   1HD   PRO  36           HD2      PRO  36 -18.578 -13.201   1.480
  225   2HD   PRO  36           HD3      PRO  36 -18.115 -13.181   3.195
  226    H    VAL  37           HN       VAL  37 -14.084 -10.089   0.683
  227    HA   VAL  37           HA       VAL  37 -15.606  -8.646  -1.339
  228    HB   VAL  37           HB       VAL  37 -12.750  -8.019  -0.787
  229   1HG1  VAL  37          HG11      VAL  37 -13.304  -5.889  -1.375
  230   2HG1  VAL  37          HG12      VAL  37 -14.432  -6.821  -2.362
  231   3HG1  VAL  37          HG13      VAL  37 -14.985  -6.065  -0.867
  232   1HG2  VAL  37          HG21      VAL  37 -13.421  -8.376   1.436
  233   2HG2  VAL  37          HG22      VAL  37 -13.510  -6.630   1.179
  234   3HG2  VAL  37          HG23      VAL  37 -14.980  -7.601   1.166
  235    H    GLY  38           HN       GLY  38 -12.937 -10.909  -1.111
  236   1HA   GLY  38           HA1      GLY  38 -11.981 -12.188  -2.811
  237   2HA   GLY  38           HA2      GLY  38 -13.049 -11.385  -3.956
  238    H    ASN  39           HN       ASN  39 -12.516  -9.159  -4.560
  239    HA   ASN  39           HA       ASN  39  -9.598  -8.821  -4.692
  240   1HB   ASN  39           HB2      ASN  39 -11.237  -8.861  -6.801
  241   2HB   ASN  39           HB3      ASN  39 -11.403  -7.159  -6.386
  242   1HD2  ASN  39          HD21      ASN  39  -8.922  -9.637  -6.933
  243   2HD2  ASN  39          HD22      ASN  39  -7.780  -8.571  -7.675
  244    H    PHE  40           HN       PHE  40  -9.776  -8.098  -2.482
  245    HA   PHE  40           HA       PHE  40 -11.102  -6.011  -1.387
  246   1HB   PHE  40           HB2      PHE  40  -9.398  -7.529  -0.330
  247   2HB   PHE  40           HB3      PHE  40  -8.151  -6.481  -0.983
  248    HD1  PHE  40           HD1      PHE  40  -7.166  -5.483   0.881
  249    HD2  PHE  40           HD2      PHE  40 -11.415  -5.604   0.590
  250    HE1  PHE  40           HE1      PHE  40  -7.341  -4.026   2.853
  251    HE2  PHE  40           HE2      PHE  40 -11.597  -4.139   2.557
  252    HZ   PHE  40           HZ       PHE  40  -9.528  -3.463   3.773
  253    H    MET  41           HN       MET  41  -7.757  -5.438  -2.438
  254    HA   MET  41           HA       MET  41  -8.628  -2.805  -3.411
  255   1HB   MET  41           HB2      MET  41  -6.974  -3.159  -1.321
  256   2HB   MET  41           HB3      MET  41  -5.790  -3.238  -2.614
  257   1HG   MET  41           HG2      MET  41  -6.222  -0.993  -1.500
  258   2HG   MET  41           HG3      MET  41  -6.186  -1.033  -3.263
  259   1HE   MET  41           HE1      MET  41  -7.697  -0.323  -0.176
  260   2HE   MET  41           HE2      MET  41  -8.337   1.171  -0.865
  261   3HE   MET  41           HE3      MET  41  -9.437  -0.119  -0.357
  262    HA   PRO  42           HA       PRO  42  -7.131  -4.344  -7.306
  263   1HB   PRO  42           HB2      PRO  42  -7.147  -1.591  -8.271
  264   2HB   PRO  42           HB3      PRO  42  -8.183  -2.942  -8.736
  265   1HG   PRO  42           HG2      PRO  42  -9.094  -0.808  -7.317
  266   2HG   PRO  42           HG3      PRO  42  -9.771  -2.439  -7.168
  267   1HD   PRO  42           HD2      PRO  42  -7.850  -1.012  -5.359
  268   2HD   PRO  42           HD3      PRO  42  -9.221  -2.067  -4.947
  269    H    ASP  43           HN       ASP  43  -5.228  -4.443  -8.410
  270    HA   ASP  43           HA       ASP  43  -2.826  -3.874  -7.216
  271   1HB   ASP  43           HB2      ASP  43  -2.742  -5.425  -8.943
  272   2HB   ASP  43           HB3      ASP  43  -3.634  -4.397 -10.057
  273    H    SER  44           HN       SER  44  -4.574  -1.852  -9.531
  274    HA   SER  44           HA       SER  44  -2.630   0.100  -9.952
  275   1HB   SER  44           HB2      SER  44  -5.197   1.323  -9.966
  276   2HB   SER  44           HB3      SER  44  -4.251   0.763 -11.349
  277    HG   SER  44           HG       SER  44  -6.003  -0.469 -11.507
  278    H    ILE  45           HN       ILE  45  -5.272   0.003  -7.560
  279    HA   ILE  45           HA       ILE  45  -4.568   2.471  -6.354
  280    HB   ILE  45           HB       ILE  45  -6.213   0.223  -5.181
  281   1HG1  ILE  45          HG12      ILE  45  -7.057   1.074  -7.361
  282   2HG1  ILE  45          HG13      ILE  45  -8.163   1.385  -6.027
  283   1HG2  ILE  45          HG21      ILE  45  -7.078   1.777  -3.614
  284   2HG2  ILE  45          HG22      ILE  45  -5.323   1.951  -3.571
  285   3HG2  ILE  45          HG23      ILE  45  -6.309   3.139  -4.429
  286   1HD1  ILE  45          HD11      ILE  45  -6.220   3.493  -6.823
  287   2HD1  ILE  45          HD12      ILE  45  -7.655   3.220  -7.809
  288   3HD1  ILE  45          HD13      ILE  45  -7.822   3.648  -6.104
  289    H    LEU  46           HN       LEU  46  -3.725  -0.877  -5.724
  290    HA   LEU  46           HA       LEU  46  -2.539  -0.479  -3.202
  291   1HB   LEU  46           HB2      LEU  46  -1.914  -2.513  -5.342
  292   2HB   LEU  46           HB3      LEU  46  -1.254  -2.551  -3.722
  293    HG   LEU  46           HG       LEU  46  -4.226  -2.572  -4.130
  294   1HD1  LEU  46          HD11      LEU  46  -2.349  -4.659  -4.907
  295   2HD1  LEU  46          HD12      LEU  46  -3.539  -5.197  -3.720
  296   3HD1  LEU  46          HD13      LEU  46  -4.072  -4.494  -5.243
  297   1HD2  LEU  46          HD21      LEU  46  -3.621  -2.265  -1.883
  298   2HD2  LEU  46          HD22      LEU  46  -4.001  -3.981  -2.025
  299   3HD2  LEU  46          HD23      LEU  46  -2.318  -3.446  -1.980
  300    H    LYS  47           HN       LYS  47  -1.286  -0.144  -6.485
  301    HA   LYS  47           HA       LYS  47   1.426   0.188  -5.746
  302   1HB   LYS  47           HB2      LYS  47  -0.167   0.740  -8.216
  303   2HB   LYS  47           HB3      LYS  47   1.458   1.391  -8.080
  304   1HG   LYS  47           HG2      LYS  47   2.429  -0.722  -7.982
  305   2HG   LYS  47           HG3      LYS  47   0.896  -1.506  -7.601
  306   1HD   LYS  47           HD2      LYS  47   0.082  -1.196  -9.790
  307   2HD   LYS  47           HD3      LYS  47   1.384  -0.072 -10.194
  308   1HE   LYS  47           HE2      LYS  47   2.822  -1.719 -10.651
  309   2HE   LYS  47           HE3      LYS  47   2.278  -2.705  -9.293
  310   1HZ   LYS  47           HZ1      LYS  47   1.733  -3.816 -11.319
  311   2HZ   LYS  47           HZ2      LYS  47   0.965  -2.445 -11.940
  312   3HZ   LYS  47           HZ3      LYS  47   0.294  -3.269 -10.613
  313    H    LYS  48           HN       LYS  48  -1.055   2.596  -6.667
  314    HA   LYS  48           HA       LYS  48   0.603   4.836  -6.249
  315   1HB   LYS  48           HB2      LYS  48  -1.555   6.140  -6.127
  316   2HB   LYS  48           HB3      LYS  48  -1.364   5.157  -7.571
  317   1HG   LYS  48           HG2      LYS  48  -2.765   3.403  -6.386
  318   2HG   LYS  48           HG3      LYS  48  -3.120   4.653  -5.191
  319   1HD   LYS  48           HD2      LYS  48  -4.911   4.660  -6.758
  320   2HD   LYS  48           HD3      LYS  48  -3.936   6.093  -7.073
  321   1HE   LYS  48           HE2      LYS  48  -2.727   4.459  -8.762
  322   2HE   LYS  48           HE3      LYS  48  -4.275   3.624  -8.692
  323   1HZ   LYS  48           HZ1      LYS  48  -5.389   5.589  -9.406
  324   2HZ   LYS  48           HZ2      LYS  48  -4.115   5.291 -10.488
  325   3HZ   LYS  48           HZ3      LYS  48  -3.962   6.506  -9.317
  326    H    MET  49           HN       MET  49  -1.680   3.177  -4.133
  327    HA   MET  49           HA       MET  49  -1.465   5.014  -2.007
  328   1HB   MET  49           HB2      MET  49  -3.095   3.772  -1.136
  329   2HB   MET  49           HB3      MET  49  -2.990   2.758  -2.560
  330   1HG   MET  49           HG2      MET  49  -2.031   1.058  -1.446
  331   2HG   MET  49           HG3      MET  49  -1.102   2.126  -0.397
  332   1HE   MET  49           HE1      MET  49  -5.518   1.019   0.070
  333   2HE   MET  49           HE2      MET  49  -4.570   1.145  -1.424
  334   3HE   MET  49           HE3      MET  49  -4.373  -0.255  -0.369
  335    H    ALA  50           HN       ALA  50   0.514   2.306  -2.993
  336    HA   ALA  50           HA       ALA  50   1.968   2.171  -0.512
  337   1HB   ALA  50           HB1      ALA  50   3.545   0.904  -2.362
  338   2HB   ALA  50           HB2      ALA  50   2.269   0.143  -1.412
  339   3HB   ALA  50           HB3      ALA  50   1.931   0.713  -3.044
  340    H    ALA  51           HN       ALA  51   2.303   3.817  -3.566
  341    HA   ALA  51           HA       ALA  51   5.034   4.586  -3.093
  342   1HB   ALA  51           HB1      ALA  51   4.283   6.227  -5.075
  343   2HB   ALA  51           HB2      ALA  51   4.769   4.550  -5.329
  344   3HB   ALA  51           HB3      ALA  51   3.057   4.972  -5.246
  345    H    ILE  52           HN       ILE  52   1.857   6.138  -2.882
  346    HA   ILE  52           HA       ILE  52   3.054   8.642  -2.031
  347    HB   ILE  52           HB       ILE  52   0.246   7.748  -2.576
  348   1HG1  ILE  52          HG12      ILE  52   0.760  10.150  -3.864
  349   2HG1  ILE  52          HG13      ILE  52   2.312   9.311  -3.924
  350   1HG2  ILE  52          HG21      ILE  52   0.064  10.463  -2.079
  351   2HG2  ILE  52          HG22      ILE  52  -0.550   9.163  -1.059
  352   3HG2  ILE  52          HG23      ILE  52   1.044   9.844  -0.751
  353   1HD1  ILE  52          HD11      ILE  52   1.015   7.324  -4.807
  354   2HD1  ILE  52          HD12      ILE  52  -0.327   8.449  -5.039
  355   3HD1  ILE  52          HD13      ILE  52   1.202   8.710  -5.879
  356    H    LEU  53           HN       LEU  53   1.282   5.955  -0.664
  357    HA   LEU  53           HA       LEU  53   0.682   5.368   1.434
  358   1HB   LEU  53           HB2      LEU  53   3.344   6.657   1.734
  359   2HB   LEU  53           HB3      LEU  53   2.439   6.341   3.199
  360    HG   LEU  53           HG       LEU  53   3.154   4.247   1.140
  361   1HD1  LEU  53          HD11      LEU  53   4.335   4.008   3.794
  362   2HD1  LEU  53          HD12      LEU  53   5.084   3.855   2.204
  363   3HD1  LEU  53          HD13      LEU  53   4.867   5.447   2.925
  364   1HD2  LEU  53          HD21      LEU  53   2.444   3.418   3.839
  365   2HD2  LEU  53          HD22      LEU  53   1.125   4.205   2.972
  366   3HD2  LEU  53          HD23      LEU  53   1.914   2.788   2.279
  367    HA   PRO  54           HA       PRO  54  -1.269   9.489   2.280
  368   1HB   PRO  54           HB2      PRO  54  -3.800   8.325   1.537
  369   2HB   PRO  54           HB3      PRO  54  -2.920   9.635   0.753
  370   1HG   PRO  54           HG2      PRO  54  -3.298   7.173  -0.384
  371   2HG   PRO  54           HG3      PRO  54  -1.931   8.240  -0.763
  372   1HD   PRO  54           HD2      PRO  54  -2.037   5.884   1.084
  373   2HD   PRO  54           HD3      PRO  54  -0.775   6.344  -0.080
  374    H    MET  55           HN       MET  55  -1.508   9.738   4.370
  375    HA   MET  55           HA       MET  55  -2.771   7.628   5.932
  376   1HB   MET  55           HB2      MET  55  -0.952   9.911   6.575
  377   2HB   MET  55           HB3      MET  55  -2.003   9.273   7.838
  378   1HG   MET  55           HG2      MET  55  -0.981   6.989   6.883
  379   2HG   MET  55           HG3      MET  55   0.364   8.087   6.566
  380   1HE   MET  55           HE1      MET  55  -1.777   6.738  10.105
  381   2HE   MET  55           HE2      MET  55  -1.707   8.457  10.488
  382   3HE   MET  55           HE3      MET  55  -2.422   7.920   8.967
  383    H    ASN  56           HN       ASN  56  -3.454  10.738   4.658
  384    HA   ASN  56           HA       ASN  56  -5.895  10.830   6.284
  385   1HB   ASN  56           HB2      ASN  56  -5.839  13.231   6.363
  386   2HB   ASN  56           HB3      ASN  56  -4.280  12.634   6.914
  387   1HD2  ASN  56          HD21      ASN  56  -5.074  15.260   5.763
  388   2HD2  ASN  56          HD22      ASN  56  -4.025  15.499   4.409
  389    H    ASP  57           HN       ASP  57  -7.632  12.158   5.291
  390    HA   ASP  57           HA       ASP  57  -8.473  11.031   2.904
  391   1HB   ASP  57           HB2      ASP  57  -9.901  12.133   4.683
  392   2HB   ASP  57           HB3      ASP  57  -9.443  13.679   3.981
  393    H    SER  58           HN       SER  58  -7.060  14.268   3.404
  394    HA   SER  58           HA       SER  58  -7.397  15.248   0.832
  395   1HB   SER  58           HB2      SER  58  -4.873  15.938   2.213
  396   2HB   SER  58           HB3      SER  58  -6.106  16.995   1.520
  397    HG   SER  58           HG       SER  58  -6.944  17.167   3.431
  398    H    ALA  59           HN       ALA  59  -4.847  13.185   2.119
  399    HA   ALA  59           HA       ALA  59  -3.228  13.268  -0.229
  400   1HB   ALA  59           HB1      ALA  59  -3.010  12.207   2.383
  401   2HB   ALA  59           HB2      ALA  59  -2.743  10.887   1.247
  402   3HB   ALA  59           HB3      ALA  59  -1.758  12.346   1.147
  403    H    PHE  60           HN       PHE  60  -5.921  11.345   0.827
  404    HA   PHE  60           HA       PHE  60  -5.520   9.197  -0.966
  405   1HB   PHE  60           HB2      PHE  60  -7.724  10.139   0.764
  406   2HB   PHE  60           HB3      PHE  60  -8.197   9.149  -0.615
  407    HD1  PHE  60           HD1      PHE  60  -8.571   8.303   2.239
  408    HD2  PHE  60           HD2      PHE  60  -5.334   7.740  -0.461
  409    HE1  PHE  60           HE1      PHE  60  -7.912   6.249   3.441
  410    HE2  PHE  60           HE2      PHE  60  -4.677   5.710   0.731
  411    HZ   PHE  60           HZ       PHE  60  -5.962   4.947   2.659
  412    H    ALA  61           HN       ALA  61  -6.799  12.379  -1.332
  413    HA   ALA  61           HA       ALA  61  -8.280  11.915  -3.718
  414   1HB   ALA  61           HB1      ALA  61  -8.260  14.364  -3.953
  415   2HB   ALA  61           HB2      ALA  61  -8.720  13.861  -2.327
  416   3HB   ALA  61           HB3      ALA  61  -7.094  14.470  -2.633
  417    H    THR  62           HN       THR  62  -4.900  12.465  -3.024
  418    HA   THR  62           HA       THR  62  -4.234  13.146  -5.738
  419    HB   THR  62           HB       THR  62  -1.864  12.450  -4.718
  420    HG1  THR  62           HG1      THR  62  -3.000  12.011  -2.642
  421   1HG2  THR  62          HG21      THR  62  -2.060  15.020  -3.861
  422   2HG2  THR  62          HG22      THR  62  -3.430  14.911  -4.967
  423   3HG2  THR  62          HG23      THR  62  -1.804  14.540  -5.538
  424    H    LEU  63           HN       LEU  63  -5.254  10.342  -4.448
  425    HA   LEU  63           HA       LEU  63  -3.417   8.539  -5.797
  426   1HB   LEU  63           HB2      LEU  63  -6.034   8.077  -4.355
  427   2HB   LEU  63           HB3      LEU  63  -5.159   6.800  -5.172
  428    HG   LEU  63           HG       LEU  63  -4.268   8.350  -2.741
  429   1HD1  LEU  63          HD11      LEU  63  -4.766   6.497  -1.523
  430   2HD1  LEU  63          HD12      LEU  63  -5.983   6.342  -2.787
  431   3HD1  LEU  63          HD13      LEU  63  -4.495   5.397  -2.874
  432   1HD2  LEU  63          HD21      LEU  63  -2.406   6.551  -2.829
  433   2HD2  LEU  63          HD22      LEU  63  -2.772   6.503  -4.558
  434   3HD2  LEU  63          HD23      LEU  63  -2.247   8.012  -3.807
  435    H    GLY  64           HN       GLY  64  -5.118  10.636  -7.203
  436   1HA   GLY  64           HA1      GLY  64  -5.981  10.721  -9.351
  437   2HA   GLY  64           HA2      GLY  64  -5.929   8.963  -9.421
  438    H    THR  65           HN       THR  65  -7.402  10.774  -6.833
  439    HA   THR  65           HA       THR  65  -9.484  10.833  -5.965
  440    HB   THR  65           HB       THR  65 -11.248  10.658  -8.093
  441    HG1  THR  65           HG1      THR  65  -9.257  10.819  -9.408
  442   1HG2  THR  65          HG21      THR  65 -10.336  13.360  -7.528
  443   2HG2  THR  65          HG22      THR  65 -10.606  12.409  -6.065
  444   3HG2  THR  65          HG23      THR  65 -11.906  12.613  -7.236
  445    H    VAL  66           HN       VAL  66  -9.223   8.783  -5.013
  446    HA   VAL  66           HA       VAL  66 -10.003   6.368  -6.255
  447    HB   VAL  66           HB       VAL  66 -10.371   5.654  -3.745
  448   1HG1  VAL  66          HG11      VAL  66  -7.890   5.389  -3.484
  449   2HG1  VAL  66          HG12      VAL  66  -8.554   4.782  -5.003
  450   3HG1  VAL  66          HG13      VAL  66  -7.702   6.323  -4.971
  451   1HG2  VAL  66          HG21      VAL  66 -10.096   8.300  -3.264
  452   2HG2  VAL  66          HG22      VAL  66  -9.724   7.036  -2.095
  453   3HG2  VAL  66          HG23      VAL  66  -8.429   7.756  -3.047
  454    H    GLU  67           HN       GLU  67 -11.914   5.325  -6.359
  455    HA   GLU  67           HA       GLU  67 -14.317   6.753  -6.284
  456   1HB   GLU  67           HB2      GLU  67 -13.501   4.190  -7.075
  457   2HB   GLU  67           HB3      GLU  67 -14.744   3.922  -5.860
  458   1HG   GLU  67           HG2      GLU  67 -15.370   5.953  -7.893
  459   2HG   GLU  67           HG3      GLU  67 -15.246   4.294  -8.475
  460    H    ASP  68           HN       ASP  68 -16.031   6.778  -4.833
  461    HA   ASP  68           HA       ASP  68 -15.429   6.906  -2.126
  462   1HB   ASP  68           HB2      ASP  68 -17.475   7.810  -3.536
  463   2HB   ASP  68           HB3      ASP  68 -18.234   6.325  -2.968
  464    H    LYS  69           HN       LYS  69 -16.667   4.245  -4.050
  465    HA   LYS  69           HA       LYS  69 -17.351   2.574  -1.859
  466   1HB   LYS  69           HB2      LYS  69 -17.953   1.037  -3.411
  467   2HB   LYS  69           HB3      LYS  69 -17.839   2.423  -4.486
  468   1HG   LYS  69           HG2      LYS  69 -15.266   1.276  -4.361
  469   2HG   LYS  69           HG3      LYS  69 -16.421  -0.044  -4.574
  470   1HD   LYS  69           HD2      LYS  69 -16.381   2.447  -6.265
  471   2HD   LYS  69           HD3      LYS  69 -15.563   0.949  -6.702
  472   1HE   LYS  69           HE2      LYS  69 -17.518  -0.152  -7.147
  473   2HE   LYS  69           HE3      LYS  69 -18.449   0.809  -5.998
  474   1HZ   LYS  69           HZ1      LYS  69 -17.793   2.663  -7.813
  475   2HZ   LYS  69           HZ2      LYS  69 -19.225   1.757  -7.870
  476   3HZ   LYS  69           HZ3      LYS  69 -17.889   1.287  -8.804
  477    H    TYR  70           HN       TYR  70 -14.348   3.326  -3.405
  478    HA   TYR  70           HA       TYR  70 -12.933   1.064  -2.270
  479   1HB   TYR  70           HB2      TYR  70 -12.074   3.488  -3.849
  480   2HB   TYR  70           HB3      TYR  70 -10.908   2.363  -3.157
  481    HD1  TYR  70           HD1      TYR  70 -11.512   3.099  -6.146
  482    HD2  TYR  70           HD2      TYR  70 -12.626  -0.138  -3.630
  483    HE1  TYR  70           HE1      TYR  70 -11.740   1.655  -8.117
  484    HE2  TYR  70           HE2      TYR  70 -12.861  -1.600  -5.595
  485    HH   TYR  70           HH       TYR  70 -12.315  -1.800  -7.814
  486    H    ARG  71           HN       ARG  71 -13.500   4.431  -1.580
  487    HA   ARG  71           HA       ARG  71 -11.536   4.755   0.446
  488   1HB   ARG  71           HB2      ARG  71 -14.127   6.267   0.163
  489   2HB   ARG  71           HB3      ARG  71 -12.668   6.801   0.979
  490   1HG   ARG  71           HG2      ARG  71 -11.699   6.366  -1.495
  491   2HG   ARG  71           HG3      ARG  71 -13.358   6.835  -1.870
  492   1HD   ARG  71           HD2      ARG  71 -11.490   8.393  -0.106
  493   2HD   ARG  71           HD3      ARG  71 -11.783   8.744  -1.810
  494    HE   ARG  71           HE       ARG  71 -13.514   9.346   0.416
  495   1HH1  ARG  71          HH12      ARG  71 -13.393   8.768  -3.042
  496   2HH1  ARG  71          HH11      ARG  71 -14.826   9.690  -3.369
  497   1HH2  ARG  71          HH22      ARG  71 -15.422  10.526  -0.021
  498   2HH2  ARG  71          HH21      ARG  71 -15.982  10.690  -1.661
  499    H    ARG  72           HN       ARG  72 -14.854   3.621   0.431
  500    HA   ARG  72           HA       ARG  72 -15.443   3.776   3.151
  501   1HB   ARG  72           HB2      ARG  72 -16.497   2.412   0.820
  502   2HB   ARG  72           HB3      ARG  72 -16.701   1.475   2.300
  503   1HG   ARG  72           HG2      ARG  72 -18.422   2.707   2.813
  504   2HG   ARG  72           HG3      ARG  72 -17.388   4.131   2.918
  505   1HD   ARG  72           HD2      ARG  72 -17.844   3.481   0.190
  506   2HD   ARG  72           HD3      ARG  72 -19.405   3.577   1.013
  507    HE   ARG  72           HE       ARG  72 -17.667   5.737   0.321
  508   1HH1  ARG  72          HH12      ARG  72 -19.942   4.770   2.816
  509   2HH1  ARG  72          HH11      ARG  72 -20.433   6.397   3.159
  510   1HH2  ARG  72          HH22      ARG  72 -18.314   7.839   0.770
  511   2HH2  ARG  72          HH21      ARG  72 -19.523   8.144   1.991
  512    H    ARG  73           HN       ARG  73 -14.194   0.940   1.387
  513    HA   ARG  73           HA       ARG  73 -13.691  -0.384   3.921
  514   1HB   ARG  73           HB2      ARG  73 -13.524  -2.334   2.757
  515   2HB   ARG  73           HB3      ARG  73 -14.460  -1.418   1.592
  516   1HG   ARG  73           HG2      ARG  73 -11.478  -1.437   1.411
  517   2HG   ARG  73           HG3      ARG  73 -12.422  -2.803   0.811
  518   1HD   ARG  73           HD2      ARG  73 -13.795  -0.736  -0.256
  519   2HD   ARG  73           HD3      ARG  73 -12.160  -0.070  -0.238
  520    HE   ARG  73           HE       ARG  73 -11.486  -2.059  -1.539
  521   1HH1  ARG  73          HH12      ARG  73 -14.848  -1.085  -1.524
  522   2HH1  ARG  73          HH11      ARG  73 -15.261  -2.008  -2.938
  523   1HH2  ARG  73          HH22      ARG  73 -12.014  -3.290  -3.388
  524   2HH2  ARG  73          HH21      ARG  73 -13.637  -3.256  -4.011
  525    H    PHE  74           HN       PHE  74 -12.212   1.948   2.251
  526    HA   PHE  74           HA       PHE  74  -9.485   1.181   2.060
  527   1HB   PHE  74           HB2      PHE  74 -10.911   3.531   1.615
  528   2HB   PHE  74           HB3      PHE  74  -9.808   3.950   2.916
  529    HD1  PHE  74           HD1      PHE  74 -10.103   4.488  -0.297
  530    HD2  PHE  74           HD2      PHE  74  -7.436   2.449   2.302
  531    HE1  PHE  74           HE1      PHE  74  -8.288   4.799  -1.931
  532    HE2  PHE  74           HE2      PHE  74  -5.619   2.746   0.682
  533    HZ   PHE  74           HZ       PHE  74  -6.038   3.923  -1.438
  534    H    LYS  75           HN       LYS  75 -11.377   2.303   4.774
  535    HA   LYS  75           HA       LYS  75  -9.437   2.963   6.628
  536   1HB   LYS  75           HB2      LYS  75 -11.295   1.878   8.246
  537   2HB   LYS  75           HB3      LYS  75 -11.462   3.461   7.499
  538   1HG   LYS  75           HG2      LYS  75 -13.172   2.813   6.250
  539   2HG   LYS  75           HG3      LYS  75 -12.388   1.295   5.788
  540   1HD   LYS  75           HD2      LYS  75 -13.633   0.166   7.239
  541   2HD   LYS  75           HD3      LYS  75 -13.143   1.226   8.567
  542   1HE   LYS  75           HE2      LYS  75 -14.950   2.653   8.268
  543   2HE   LYS  75           HE3      LYS  75 -15.175   2.161   6.589
  544   1HZ   LYS  75           HZ1      LYS  75 -16.822   1.352   8.381
  545   2HZ   LYS  75           HZ2      LYS  75 -15.616   0.222   8.758
  546   3HZ   LYS  75           HZ3      LYS  75 -16.289   0.252   7.202
  547    H    TYR  76           HN       TYR  76 -10.277  -0.224   5.510
  548    HA   TYR  76           HA       TYR  76  -9.206  -1.610   7.778
  549   1HB   TYR  76           HB2      TYR  76  -9.852  -2.499   4.964
  550   2HB   TYR  76           HB3      TYR  76  -9.261  -3.589   6.210
  551    HD1  TYR  76           HD1      TYR  76 -12.126  -1.797   4.912
  552    HD2  TYR  76           HD2      TYR  76 -10.650  -4.043   8.205
  553    HE1  TYR  76           HE1      TYR  76 -14.427  -2.133   5.710
  554    HE2  TYR  76           HE2      TYR  76 -12.946  -4.389   9.017
  555    HH   TYR  76           HH       TYR  76 -15.432  -2.702   8.326
  556    H    PHE  77           HN       PHE  77  -7.787   0.118   5.269
  557    HA   PHE  77           HA       PHE  77  -5.273  -1.409   5.383
  558   1HB   PHE  77           HB2      PHE  77  -6.612   0.267   3.373
  559   2HB   PHE  77           HB3      PHE  77  -4.881   0.532   3.510
  560    HD1  PHE  77           HD1      PHE  77  -6.740  -0.757   1.284
  561    HD2  PHE  77           HD2      PHE  77  -4.068  -2.287   4.217
  562    HE1  PHE  77           HE1      PHE  77  -6.337  -2.736  -0.114
  563    HE2  PHE  77           HE2      PHE  77  -3.669  -4.269   2.824
  564    HZ   PHE  77           HZ       PHE  77  -4.791  -4.482   0.648
  565    H    LYS  78           HN       LYS  78  -6.787   1.371   6.589
  566    HA   LYS  78           HA       LYS  78  -4.741   3.254   6.619
  567   1HB   LYS  78           HB2      LYS  78  -7.299   2.909   7.901
  568   2HB   LYS  78           HB3      LYS  78  -6.137   3.595   9.027
  569   1HG   LYS  78           HG2      LYS  78  -6.208   5.575   8.039
  570   2HG   LYS  78           HG3      LYS  78  -5.955   4.862   6.445
  571   1HD   LYS  78           HD2      LYS  78  -8.057   5.466   5.983
  572   2HD   LYS  78           HD3      LYS  78  -8.559   4.176   7.076
  573   1HE   LYS  78           HE2      LYS  78  -8.256   5.912   8.937
  574   2HE   LYS  78           HE3      LYS  78  -8.272   7.106   7.642
  575   1HZ   LYS  78           HZ1      LYS  78 -10.433   5.430   8.666
  576   2HZ   LYS  78           HZ2      LYS  78 -10.423   5.728   7.000
  577   3HZ   LYS  78           HZ3      LYS  78 -10.472   7.028   8.096
  578    H    ALA  79           HN       ALA  79  -5.261   0.486   8.712
  579    HA   ALA  79           HA       ALA  79  -3.386   1.227  10.726
  580   1HB   ALA  79           HB1      ALA  79  -4.209  -1.581  10.006
  581   2HB   ALA  79           HB2      ALA  79  -3.623  -0.991  11.560
  582   3HB   ALA  79           HB3      ALA  79  -5.214  -0.497  10.969
  583    H    THR  80           HN       THR  80  -3.184  -0.397   7.656
  584    HA   THR  80           HA       THR  80  -0.482  -1.297   8.026
  585    HB   THR  80           HB       THR  80  -1.452  -1.215   5.290
  586    HG1  THR  80           HG1      THR  80  -3.042  -2.614   7.223
  587   1HG2  THR  80          HG21      THR  80  -0.192  -3.072   7.177
  588   2HG2  THR  80          HG22      THR  80   0.038  -2.898   5.438
  589   3HG2  THR  80          HG23      THR  80  -1.313  -3.847   6.058
  590    H    ILE  81           HN       ILE  81  -2.125   1.190   6.102
  591    HA   ILE  81           HA       ILE  81   0.104   2.224   4.774
  592    HB   ILE  81           HB       ILE  81  -2.356   3.749   5.661
  593   1HG1  ILE  81          HG12      ILE  81  -1.907   2.476   2.964
  594   2HG1  ILE  81          HG13      ILE  81  -2.711   1.626   4.279
  595   1HG2  ILE  81          HG21      ILE  81  -1.146   5.468   4.884
  596   2HG2  ILE  81          HG22      ILE  81  -0.061   4.430   3.965
  597   3HG2  ILE  81          HG23      ILE  81  -1.646   4.853   3.305
  598   1HD1  ILE  81          HD11      ILE  81  -4.462   3.262   4.334
  599   2HD1  ILE  81          HD12      ILE  81  -3.622   4.255   3.140
  600   3HD1  ILE  81          HD13      ILE  81  -4.259   2.674   2.680
  601    H    ALA  82           HN       ALA  82  -1.314   3.065   7.905
  602    HA   ALA  82           HA       ALA  82   0.353   5.254   8.482
  603   1HB   ALA  82           HB1      ALA  82  -1.736   3.999   9.745
  604   2HB   ALA  82           HB2      ALA  82  -0.375   3.664  10.817
  605   3HB   ALA  82           HB3      ALA  82  -0.786   5.329  10.407
  606    H    ASP  83           HN       ASP  83   0.670   1.830   9.388
  607    HA   ASP  83           HA       ASP  83   3.107   2.086  10.790
  608   1HB   ASP  83           HB2      ASP  83   1.644   0.136  11.062
  609   2HB   ASP  83           HB3      ASP  83   1.938  -0.331   9.389
  610    H    LEU  84           HN       LEU  84   2.427   1.227   7.401
  611    HA   LEU  84           HA       LEU  84   5.135   0.728   6.727
  612   1HB   LEU  84           HB2      LEU  84   2.722   1.394   5.048
  613   2HB   LEU  84           HB3      LEU  84   4.299   1.052   4.363
  614    HG   LEU  84           HG       LEU  84   2.984  -0.925   6.204
  615   1HD1  LEU  84          HD11      LEU  84   2.392  -0.356   3.334
  616   2HD1  LEU  84          HD12      LEU  84   2.372  -2.020   3.914
  617   3HD1  LEU  84          HD13      LEU  84   1.295  -0.825   4.637
  618   1HD2  LEU  84          HD21      LEU  84   4.834  -2.078   5.775
  619   2HD2  LEU  84          HD22      LEU  84   4.462  -2.032   4.049
  620   3HD2  LEU  84          HD23      LEU  84   5.427  -0.750   4.776
  621    H    SER  85           HN       SER  85   3.223   3.670   6.855
  622    HA   SER  85           HA       SER  85   5.166   5.231   5.395
  623   1HB   SER  85           HB2      SER  85   2.594   5.634   5.733
  624   2HB   SER  85           HB3      SER  85   3.118   6.494   7.179
  625    HG   SER  85           HG       SER  85   3.830   7.007   4.476
  626    H    LYS  86           HN       LYS  86   4.471   4.407   8.700
  627    HA   LYS  86           HA       LYS  86   6.170   6.375   9.899
  628   1HB   LYS  86           HB2      LYS  86   4.570   4.064  10.791
  629   2HB   LYS  86           HB3      LYS  86   6.002   4.386  11.754
  630   1HG   LYS  86           HG2      LYS  86   5.238   6.510  12.377
  631   2HG   LYS  86           HG3      LYS  86   4.020   6.535  11.107
  632   1HD   LYS  86           HD2      LYS  86   2.512   5.471  12.371
  633   2HD   LYS  86           HD3      LYS  86   3.697   4.266  12.885
  634   1HE   LYS  86           HE2      LYS  86   4.590   5.953  14.499
  635   2HE   LYS  86           HE3      LYS  86   3.257   7.015  14.065
  636   1HZ   LYS  86           HZ1      LYS  86   1.801   5.820  15.229
  637   2HZ   LYS  86           HZ2      LYS  86   3.170   5.267  16.070
  638   3HZ   LYS  86           HZ3      LYS  86   2.499   4.329  14.831
  639    H    LYS  87           HN       LYS  87   6.486   2.920   9.124
  640    HA   LYS  87           HA       LYS  87   9.138   2.692  10.087
  641   1HB   LYS  87           HB2      LYS  87   7.361   1.029   8.330
  642   2HB   LYS  87           HB3      LYS  87   9.018   0.567   8.678
  643   1HG   LYS  87           HG2      LYS  87   7.314   1.242  10.985
  644   2HG   LYS  87           HG3      LYS  87   6.968  -0.269  10.129
  645   1HD   LYS  87           HD2      LYS  87   9.024  -1.186  10.665
  646   2HD   LYS  87           HD3      LYS  87   9.784   0.392  10.888
  647   1HE   LYS  87           HE2      LYS  87   7.578  -0.314  12.709
  648   2HE   LYS  87           HE3      LYS  87   9.096  -1.178  12.918
  649   1HZ   LYS  87           HZ1      LYS  87   9.122   0.736  14.311
  650   2HZ   LYS  87           HZ2      LYS  87   8.691   1.766  13.034
  651   3HZ   LYS  87           HZ3      LYS  87  10.215   1.020  13.046
  652    H    ARG  88           HN       ARG  88   7.732   3.750   7.098
  653    HA   ARG  88           HA       ARG  88   9.769   3.258   5.267
  654   1HB   ARG  88           HB2      ARG  88   7.598   4.113   4.575
  655   2HB   ARG  88           HB3      ARG  88   7.897   5.628   5.422
  656   1HG   ARG  88           HG2      ARG  88   9.827   6.018   3.906
  657   2HG   ARG  88           HG3      ARG  88   9.349   4.583   2.997
  658   1HD   ARG  88           HD2      ARG  88   8.013   5.893   1.798
  659   2HD   ARG  88           HD3      ARG  88   7.024   6.093   3.246
  660    HE   ARG  88           HE       ARG  88   7.854   8.221   3.507
  661   1HH1  ARG  88          HH12      ARG  88   9.822   6.513   1.163
  662   2HH1  ARG  88          HH11      ARG  88  10.667   7.942   0.635
  663   1HH2  ARG  88          HH22      ARG  88   8.922  10.105   2.813
  664   2HH2  ARG  88          HH21      ARG  88  10.137   9.999   1.574
  665    H    SER  89           HN       SER  89   9.320   6.165   7.298
  666    HA   SER  89           HA       SER  89  11.946   7.133   6.512
  667   1HB   SER  89           HB2      SER  89  10.447   8.563   8.619
  668   2HB   SER  89           HB3      SER  89  11.239   9.190   7.173
  669    HG   SER  89           HG       SER  89   8.811   9.204   7.306
  670    H    SER  90           HN       SER  90  11.449   4.719   8.290
  671    HA   SER  90           HA       SER  90  13.458   5.416  10.289
  672   1HB   SER  90           HB2      SER  90  11.131   3.749  11.191
  673   2HB   SER  90           HB3      SER  90  12.244   4.738  12.148
  674    HG   SER  90           HG       SER  90   9.952   5.473  10.714
  675    H    GLU  91           HN       GLU  91  13.732   4.013   7.902
  676    HA   GLU  91           HA       GLU  91  14.089   1.240   8.831
  677   1HB   GLU  91           HB2      GLU  91  13.104   2.347   6.311
  678   2HB   GLU  91           HB3      GLU  91  14.398   1.176   6.084
  679   1HG   GLU  91           HG2      GLU  91  12.144   0.486   7.909
  680   2HG   GLU  91           HG3      GLU  91  11.884   0.423   6.165
  Start of MODEL    9
    1    H    GLU  11           HN       GLU  11  18.013  -1.609  -2.713
    2    HA   GLU  11           HA       GLU  11  17.628  -3.189  -1.125
    3   1HB   GLU  11           HB2      GLU  11  19.951  -1.912  -0.083
    4   2HB   GLU  11           HB3      GLU  11  18.852  -2.273   1.240
    5   1HG   GLU  11           HG2      GLU  11  19.705  -4.296  -0.816
    6   2HG   GLU  11           HG3      GLU  11  20.564  -4.023   0.697
    7    H    LEU  12           HN       LEU  12  17.367   0.173  -0.370
    8    HA   LEU  12           HA       LEU  12  15.424  -0.175   1.735
    9   1HB   LEU  12           HB2      LEU  12  16.216   2.319   0.211
   10   2HB   LEU  12           HB3      LEU  12  15.277   2.272   1.688
   11    HG   LEU  12           HG       LEU  12  18.036   1.125   1.700
   12   1HD1  LEU  12          HD11      LEU  12  18.382   3.704   2.571
   13   2HD1  LEU  12          HD12      LEU  12  18.886   3.073   1.002
   14   3HD1  LEU  12          HD13      LEU  12  17.344   3.904   1.159
   15   1HD2  LEU  12          HD21      LEU  12  15.982   1.986   3.589
   16   2HD2  LEU  12          HD22      LEU  12  17.297   0.826   3.789
   17   3HD2  LEU  12          HD23      LEU  12  17.606   2.549   3.990
   18    H    ASN  13           HN       ASN  13  14.449  -1.600  -0.226
   19    HA   ASN  13           HA       ASN  13  12.710  -0.079  -1.968
   20   1HB   ASN  13           HB2      ASN  13  13.878  -2.426  -2.369
   21   2HB   ASN  13           HB3      ASN  13  12.423  -3.037  -1.583
   22   1HD2  ASN  13          HD21      ASN  13  13.332  -3.370  -4.339
   23   2HD2  ASN  13          HD22      ASN  13  12.073  -2.723  -5.345
   24    H    ASN  14           HN       ASN  14  11.639   1.027  -0.194
   25    HA   ASN  14           HA       ASN  14   9.976  -0.454   1.606
   26   1HB   ASN  14           HB2      ASN  14   9.429   1.559   2.578
   27   2HB   ASN  14           HB3      ASN  14  10.954   1.990   1.824
   28   1HD2  ASN  14          HD21      ASN  14   7.504   2.364   1.740
   29   2HD2  ASN  14          HD22      ASN  14   7.468   3.660   0.595
   30    H    LEU  15           HN       LEU  15   9.620   0.906  -1.583
   31    HA   LEU  15           HA       LEU  15   6.799   1.007  -1.698
   32   1HB   LEU  15           HB2      LEU  15   8.822   1.640  -3.423
   33   2HB   LEU  15           HB3      LEU  15   8.180   0.188  -4.165
   34    HG   LEU  15           HG       LEU  15   6.416   2.513  -3.434
   35   1HD1  LEU  15          HD11      LEU  15   8.477   2.664  -5.251
   36   2HD1  LEU  15          HD12      LEU  15   7.071   2.282  -6.247
   37   3HD1  LEU  15          HD13      LEU  15   7.048   3.697  -5.193
   38   1HD2  LEU  15          HD21      LEU  15   6.100   0.249  -5.405
   39   2HD2  LEU  15          HD22      LEU  15   5.297   0.391  -3.841
   40   3HD2  LEU  15          HD23      LEU  15   4.941   1.548  -5.120
   41    H    ARG  16           HN       ARG  16   9.116  -1.603  -2.221
   42    HA   ARG  16           HA       ARG  16   7.165  -3.466  -3.172
   43   1HB   ARG  16           HB2      ARG  16   9.810  -3.461  -3.315
   44   2HB   ARG  16           HB3      ARG  16   9.666  -4.387  -1.826
   45   1HG   ARG  16           HG2      ARG  16   8.825  -6.187  -2.869
   46   2HG   ARG  16           HG3      ARG  16   7.956  -5.231  -4.064
   47   1HD   ARG  16           HD2      ARG  16   9.555  -6.096  -5.413
   48   2HD   ARG  16           HD3      ARG  16  10.413  -4.664  -4.854
   49    HE   ARG  16           HE       ARG  16  11.590  -6.068  -3.255
   50   1HH1  ARG  16          HH12      ARG  16   9.886  -7.706  -5.838
   51   2HH1  ARG  16          HH11      ARG  16  10.836  -9.157  -5.731
   52   1HH2  ARG  16          HH22      ARG  16  12.859  -7.993  -3.113
   53   2HH2  ARG  16          HH21      ARG  16  12.507  -9.330  -4.173
   54    H    MET  17           HN       MET  17   8.630  -2.704  -0.080
   55    HA   MET  17           HA       MET  17   7.540  -4.782   1.460
   56   1HB   MET  17           HB2      MET  17   9.343  -3.383   2.298
   57   2HB   MET  17           HB3      MET  17   8.309  -1.963   2.256
   58   1HG   MET  17           HG2      MET  17   7.015  -2.713   4.054
   59   2HG   MET  17           HG3      MET  17   7.653  -4.354   3.935
   60   1HE   MET  17           HE1      MET  17   8.349  -0.661   4.888
   61   2HE   MET  17           HE2      MET  17   9.974  -0.717   5.571
   62   3HE   MET  17           HE3      MET  17   9.739  -0.927   3.835
   63    H    THR  18           HN       THR  18   6.354  -1.562   0.690
   64    HA   THR  18           HA       THR  18   3.980  -1.673   2.233
   65    HB   THR  18           HB       THR  18   4.359  -0.034  -0.278
   66    HG1  THR  18           HG1      THR  18   6.152   0.368   1.020
   67   1HG2  THR  18          HG21      THR  18   2.390   0.833   0.293
   68   2HG2  THR  18          HG22      THR  18   3.096   1.391   1.808
   69   3HG2  THR  18          HG23      THR  18   2.321  -0.192   1.726
   70    H    TYR  19           HN       TYR  19   4.617  -2.242  -1.221
   71    HA   TYR  19           HA       TYR  19   2.014  -2.896  -2.013
   72   1HB   TYR  19           HB2      TYR  19   3.908  -2.427  -3.541
   73   2HB   TYR  19           HB3      TYR  19   4.632  -3.965  -3.096
   74    HD1  TYR  19           HD1      TYR  19   1.874  -2.357  -4.917
   75    HD2  TYR  19           HD2      TYR  19   3.823  -6.027  -4.010
   76    HE1  TYR  19           HE1      TYR  19   0.653  -3.451  -6.747
   77    HE2  TYR  19           HE2      TYR  19   2.608  -7.134  -5.839
   78    HH   TYR  19           HH       TYR  19   0.358  -5.310  -7.920
   79    H    GLU  20           HN       GLU  20   4.637  -4.952  -0.799
   80    HA   GLU  20           HA       GLU  20   3.382  -7.443  -1.063
   81   1HB   GLU  20           HB2      GLU  20   5.706  -6.340   0.329
   82   2HB   GLU  20           HB3      GLU  20   4.961  -7.681   1.190
   83   1HG   GLU  20           HG2      GLU  20   6.854  -7.978  -0.655
   84   2HG   GLU  20           HG3      GLU  20   5.618  -9.188  -0.340
   85    H    ARG  21           HN       ARG  21   3.530  -5.194   1.699
   86    HA   ARG  21           HA       ARG  21   1.975  -6.748   3.481
   87   1HB   ARG  21           HB2      ARG  21   3.408  -4.475   3.775
   88   2HB   ARG  21           HB3      ARG  21   1.793  -3.787   3.701
   89   1HG   ARG  21           HG2      ARG  21   1.761  -4.141   5.908
   90   2HG   ARG  21           HG3      ARG  21   1.436  -5.824   5.483
   91   1HD   ARG  21           HD2      ARG  21   3.328  -6.417   6.468
   92   2HD   ARG  21           HD3      ARG  21   4.227  -5.425   5.327
   93    HE   ARG  21           HE       ARG  21   3.348  -3.655   7.196
   94   1HH1  ARG  21          HH12      ARG  21   5.261  -6.602   7.285
   95   2HH1  ARG  21          HH11      ARG  21   6.144  -6.119   8.709
   96   1HH2  ARG  21          HH22      ARG  21   4.505  -3.028   9.071
   97   2HH2  ARG  21          HH21      ARG  21   5.700  -4.123   9.729
   98    H    LEU  22           HN       LEU  22   1.132  -4.435   1.001
   99    HA   LEU  22           HA       LEU  22  -1.631  -4.217   1.725
  100   1HB   LEU  22           HB2      LEU  22   0.031  -3.472  -0.647
  101   2HB   LEU  22           HB3      LEU  22  -1.713  -3.472  -0.798
  102    HG   LEU  22           HG       LEU  22  -0.497  -1.967   1.469
  103   1HD1  LEU  22          HD11      LEU  22   0.887  -1.058  -0.146
  104   2HD1  LEU  22          HD12      LEU  22  -0.319  -1.224  -1.421
  105   3HD1  LEU  22          HD13      LEU  22  -0.506   0.023  -0.191
  106   1HD2  LEU  22          HD21      LEU  22  -2.622  -1.384   1.674
  107   2HD2  LEU  22          HD22      LEU  22  -2.512  -0.557   0.119
  108   3HD2  LEU  22          HD23      LEU  22  -3.041  -2.240   0.187
  109    H    ARG  23           HN       ARG  23   0.235  -6.266  -0.462
  110    HA   ARG  23           HA       ARG  23  -2.021  -7.433  -1.742
  111   1HB   ARG  23           HB2      ARG  23  -0.113  -7.671  -3.008
  112   2HB   ARG  23           HB3      ARG  23   0.908  -7.986  -1.615
  113   1HG   ARG  23           HG2      ARG  23  -0.728 -10.184  -1.644
  114   2HG   ARG  23           HG3      ARG  23  -0.503  -9.843  -3.364
  115   1HD   ARG  23           HD2      ARG  23   1.585 -10.622  -3.299
  116   2HD   ARG  23           HD3      ARG  23   1.982  -9.578  -1.937
  117    HE   ARG  23           HE       ARG  23   1.362 -11.312  -0.446
  118   1HH1  ARG  23          HH12      ARG  23   1.129 -12.294  -3.805
  119   2HH1  ARG  23          HH11      ARG  23   1.266 -13.993  -3.443
  120   1HH2  ARG  23          HH22      ARG  23   1.522 -13.520   0.036
  121   2HH2  ARG  23          HH21      ARG  23   1.505 -14.691  -1.258
  122    H    GLU  24           HN       GLU  24   0.029  -8.459   0.976
  123    HA   GLU  24           HA       GLU  24  -1.277 -10.957   1.348
  124   1HB   GLU  24           HB2      GLU  24   0.997  -9.906   2.298
  125   2HB   GLU  24           HB3      GLU  24  -0.047  -9.585   3.678
  126   1HG   GLU  24           HG2      GLU  24   1.017 -11.658   4.066
  127   2HG   GLU  24           HG3      GLU  24  -0.662 -12.011   3.663
  128    H    LEU  25           HN       LEU  25  -1.810  -7.723   2.556
  129    HA   LEU  25           HA       LEU  25  -3.770  -8.439   4.509
  130   1HB   LEU  25           HB2      LEU  25  -2.298  -6.200   3.927
  131   2HB   LEU  25           HB3      LEU  25  -3.890  -5.735   3.372
  132    HG   LEU  25           HG       LEU  25  -2.840  -5.878   6.056
  133   1HD1  LEU  25          HD11      LEU  25  -3.723  -3.861   5.631
  134   2HD1  LEU  25          HD12      LEU  25  -4.974  -4.512   4.570
  135   3HD1  LEU  25          HD13      LEU  25  -5.159  -4.630   6.321
  136   1HD2  LEU  25          HD21      LEU  25  -5.084  -7.677   5.411
  137   2HD2  LEU  25          HD22      LEU  25  -3.938  -7.712   6.755
  138   3HD2  LEU  25          HD23      LEU  25  -5.314  -6.615   6.804
  139    H    SER  26           HN       SER  26  -3.849  -7.205   1.190
  140    HA   SER  26           HA       SER  26  -6.630  -6.919   0.958
  141   1HB   SER  26           HB2      SER  26  -4.340  -6.638  -0.693
  142   2HB   SER  26           HB3      SER  26  -5.501  -7.634  -1.565
  143    HG   SER  26           HG       SER  26  -6.229  -5.220  -0.296
  144    H    LEU  27           HN       LEU  27  -4.571  -9.743   0.508
  145    HA   LEU  27           HA       LEU  27  -6.687 -11.288  -0.663
  146   1HB   LEU  27           HB2      LEU  27  -3.867 -11.645  -0.075
  147   2HB   LEU  27           HB3      LEU  27  -4.805 -13.080   0.297
  148    HG   LEU  27           HG       LEU  27  -5.745 -12.940  -2.045
  149   1HD1  LEU  27          HD11      LEU  27  -3.437 -11.412  -2.986
  150   2HD1  LEU  27          HD12      LEU  27  -5.115 -11.390  -3.527
  151   3HD1  LEU  27          HD13      LEU  27  -4.633 -10.458  -2.110
  152   1HD2  LEU  27          HD21      LEU  27  -2.836 -13.441  -1.507
  153   2HD2  LEU  27          HD22      LEU  27  -4.151 -14.608  -1.649
  154   3HD2  LEU  27          HD23      LEU  27  -3.570 -13.761  -3.080
  155    H    ASN  28           HN       ASN  28  -5.372 -10.752   2.508
  156    HA   ASN  28           HA       ASN  28  -6.687 -12.934   3.778
  157   1HB   ASN  28           HB2      ASN  28  -5.036 -10.646   4.591
  158   2HB   ASN  28           HB3      ASN  28  -6.266 -11.082   5.770
  159   1HD2  ASN  28          HD21      ASN  28  -3.171 -11.576   4.936
  160   2HD2  ASN  28          HD22      ASN  28  -2.911 -13.144   5.632
  161    H    LEU  29           HN       LEU  29  -7.308  -9.422   3.822
  162    HA   LEU  29           HA       LEU  29  -9.791  -9.633   5.165
  163   1HB   LEU  29           HB2      LEU  29  -8.748  -7.425   3.383
  164   2HB   LEU  29           HB3      LEU  29 -10.150  -7.296   4.426
  165    HG   LEU  29           HG       LEU  29  -7.507  -7.997   5.621
  166   1HD1  LEU  29          HD11      LEU  29  -8.122  -5.567   4.179
  167   2HD1  LEU  29          HD12      LEU  29  -7.746  -5.253   5.876
  168   3HD1  LEU  29          HD13      LEU  29  -6.591  -6.119   4.865
  169   1HD2  LEU  29          HD21      LEU  29  -9.943  -7.786   6.705
  170   2HD2  LEU  29          HD22      LEU  29  -8.463  -7.373   7.572
  171   3HD2  LEU  29          HD23      LEU  29  -9.426  -6.101   6.825
  172    H    GLY  30           HN       GLY  30  -8.845  -9.682   1.795
  173   1HA   GLY  30           HA1      GLY  30 -11.356  -9.281   0.617
  174   2HA   GLY  30           HA2      GLY  30 -10.007 -10.135  -0.121
  175    H    ASN  31           HN       ASN  31  -9.710 -12.304   1.540
  176    HA   ASN  31           HA       ASN  31 -11.941 -13.917   0.705
  177   1HB   ASN  31           HB2      ASN  31  -9.376 -14.519   0.950
  178   2HB   ASN  31           HB3      ASN  31  -9.863 -14.969   2.581
  179   1HD2  ASN  31          HD21      ASN  31 -10.120 -15.672  -0.798
  180   2HD2  ASN  31          HD22      ASN  31 -10.882 -17.225  -0.640
  181    H    ARG  32           HN       ARG  32 -11.289 -12.055   3.435
  182    HA   ARG  32           HA       ARG  32 -12.917 -13.686   5.223
  183   1HB   ARG  32           HB2      ARG  32 -10.751 -12.097   5.699
  184   2HB   ARG  32           HB3      ARG  32 -12.063 -10.993   6.089
  185   1HG   ARG  32           HG2      ARG  32 -12.504 -12.031   8.001
  186   2HG   ARG  32           HG3      ARG  32 -12.405 -13.634   7.264
  187   1HD   ARG  32           HD2      ARG  32 -10.042 -11.926   8.019
  188   2HD   ARG  32           HD3      ARG  32 -10.686 -13.224   9.016
  189    HE   ARG  32           HE       ARG  32 -10.155 -14.311   6.527
  190   1HH1  ARG  32          HH12      ARG  32  -8.347 -12.809   9.130
  191   2HH1  ARG  32          HH11      ARG  32  -6.900 -13.713   8.798
  192   1HH2  ARG  32          HH22      ARG  32  -8.223 -15.436   6.055
  193   2HH2  ARG  32          HH21      ARG  32  -6.825 -15.187   7.062
  194    H    MET  33           HN       MET  33 -13.372 -11.440   2.855
  195    HA   MET  33           HA       MET  33 -15.717 -10.176   4.069
  196   1HB   MET  33           HB2      MET  33 -13.781  -9.227   2.329
  197   2HB   MET  33           HB3      MET  33 -15.147  -9.539   1.272
  198   1HG   MET  33           HG2      MET  33 -16.197  -7.712   1.963
  199   2HG   MET  33           HG3      MET  33 -15.991  -8.162   3.657
  200   1HE   MET  33           HE1      MET  33 -14.360  -4.624   1.792
  201   2HE   MET  33           HE2      MET  33 -14.221  -5.966   0.660
  202   3HE   MET  33           HE3      MET  33 -15.767  -5.630   1.441
  203    H    VAL  34           HN       VAL  34 -17.775 -10.216   2.906
  204    HA   VAL  34           HA       VAL  34 -18.048 -12.479   1.046
  205    HB   VAL  34           HB       VAL  34 -19.996 -11.946   3.301
  206   1HG1  VAL  34          HG11      VAL  34 -19.837 -13.965   1.093
  207   2HG1  VAL  34          HG12      VAL  34 -20.756 -14.283   2.563
  208   3HG1  VAL  34          HG13      VAL  34 -21.181 -12.915   1.536
  209   1HG2  VAL  34          HG21      VAL  34 -17.520 -13.317   3.406
  210   2HG2  VAL  34          HG22      VAL  34 -18.768 -13.227   4.648
  211   3HG2  VAL  34          HG23      VAL  34 -18.799 -14.530   3.459
  212    HA   PRO  35           HA       PRO  35 -18.933 -13.048  -0.747
  213   1HB   PRO  35           HB2      PRO  35 -18.486 -12.159  -3.279
  214   2HB   PRO  35           HB3      PRO  35 -20.069 -12.695  -2.704
  215   1HG   PRO  35           HG2      PRO  35 -19.006  -9.913  -3.009
  216   2HG   PRO  35           HG3      PRO  35 -20.610 -10.556  -3.406
  217   1HD   PRO  35           HD2      PRO  35 -20.126  -9.153  -1.147
  218   2HD   PRO  35           HD3      PRO  35 -21.346 -10.438  -1.231
  219    HA   PRO  36           HA       PRO  36 -14.607 -12.342  -0.123
  220   1HB   PRO  36           HB2      PRO  36 -14.293 -14.437  -2.225
  221   2HB   PRO  36           HB3      PRO  36 -13.570 -14.337  -0.619
  222   1HG   PRO  36           HG2      PRO  36 -15.570 -16.003  -1.063
  223   2HG   PRO  36           HG3      PRO  36 -15.512 -15.063   0.445
  224   1HD   PRO  36           HD2      PRO  36 -17.180 -14.626  -1.996
  225   2HD   PRO  36           HD3      PRO  36 -17.618 -14.436  -0.288
  226    H    VAL  37           HN       VAL  37 -13.385 -10.805  -0.925
  227    HA   VAL  37           HA       VAL  37 -13.721  -9.974  -3.689
  228    HB   VAL  37           HB       VAL  37 -11.730  -8.485  -2.163
  229   1HG1  VAL  37          HG11      VAL  37 -13.301  -6.607  -2.777
  230   2HG1  VAL  37          HG12      VAL  37 -12.649  -7.544  -4.124
  231   3HG1  VAL  37          HG13      VAL  37 -14.301  -7.822  -3.574
  232   1HG2  VAL  37          HG21      VAL  37 -14.415  -8.977  -0.940
  233   2HG2  VAL  37          HG22      VAL  37 -12.832  -8.893  -0.168
  234   3HG2  VAL  37          HG23      VAL  37 -13.623  -7.414  -0.725
  235    H    GLY  38           HN       GLY  38 -12.476 -10.914  -5.199
  236   1HA   GLY  38           HA1      GLY  38 -10.103 -12.356  -4.601
  237   2HA   GLY  38           HA2      GLY  38 -10.626 -11.865  -6.215
  238    H    ASN  39           HN       ASN  39 -10.855  -9.087  -5.291
  239    HA   ASN  39           HA       ASN  39  -8.060  -8.343  -4.882
  240   1HB   ASN  39           HB2      ASN  39  -9.317  -8.149  -7.382
  241   2HB   ASN  39           HB3      ASN  39  -9.323  -6.511  -6.739
  242   1HD2  ASN  39          HD21      ASN  39  -6.966  -9.070  -6.171
  243   2HD2  ASN  39          HD22      ASN  39  -5.639  -8.240  -6.906
  244    H    PHE  40           HN       PHE  40  -8.808  -7.949  -2.780
  245    HA   PHE  40           HA       PHE  40 -10.895  -6.388  -1.903
  246   1HB   PHE  40           HB2      PHE  40  -9.519  -7.679  -0.401
  247   2HB   PHE  40           HB3      PHE  40  -8.093  -6.745  -0.817
  248    HD1  PHE  40           HD1      PHE  40  -7.361  -5.336   0.848
  249    HD2  PHE  40           HD2      PHE  40 -11.535  -6.060   0.446
  250    HE1  PHE  40           HE1      PHE  40  -7.809  -3.855   2.764
  251    HE2  PHE  40           HE2      PHE  40 -12.006  -4.584   2.348
  252    HZ   PHE  40           HZ       PHE  40 -10.013  -3.533   3.590
  253    H    MET  41           HN       MET  41  -7.789  -5.447  -3.156
  254    HA   MET  41           HA       MET  41  -8.752  -2.745  -3.626
  255   1HB   MET  41           HB2      MET  41  -7.306  -2.848  -1.479
  256   2HB   MET  41           HB3      MET  41  -5.967  -3.203  -2.563
  257   1HG   MET  41           HG2      MET  41  -6.181  -0.822  -1.879
  258   2HG   MET  41           HG3      MET  41  -6.133  -1.102  -3.616
  259   1HE   MET  41           HE1      MET  41  -9.438   0.517  -1.011
  260   2HE   MET  41           HE2      MET  41  -7.835  -0.091  -0.585
  261   3HE   MET  41           HE3      MET  41  -8.000   1.473  -1.375
  262    HA   PRO  42           HA       PRO  42  -7.225  -4.109  -7.566
  263   1HB   PRO  42           HB2      PRO  42  -7.078  -1.200  -8.132
  264   2HB   PRO  42           HB3      PRO  42  -7.881  -2.491  -9.034
  265   1HG   PRO  42           HG2      PRO  42  -9.307  -0.775  -7.570
  266   2HG   PRO  42           HG3      PRO  42  -9.741  -2.492  -7.655
  267   1HD   PRO  42           HD2      PRO  42  -8.376  -0.991  -5.464
  268   2HD   PRO  42           HD3      PRO  42  -9.568  -2.300  -5.368
  269    H    ASP  43           HN       ASP  43  -5.270  -4.430  -8.446
  270    HA   ASP  43           HA       ASP  43  -2.933  -3.938  -7.075
  271   1HB   ASP  43           HB2      ASP  43  -2.682  -5.614  -8.621
  272   2HB   ASP  43           HB3      ASP  43  -3.583  -4.758  -9.864
  273    H    SER  44           HN       SER  44  -4.516  -1.996  -9.525
  274    HA   SER  44           HA       SER  44  -2.485  -0.141 -10.058
  275   1HB   SER  44           HB2      SER  44  -5.228   0.927 -10.086
  276   2HB   SER  44           HB3      SER  44  -4.057   0.794 -11.401
  277    HG   SER  44           HG       SER  44  -4.840  -1.121 -11.933
  278    H    ILE  45           HN       ILE  45  -5.168  -0.010  -7.711
  279    HA   ILE  45           HA       ILE  45  -4.350   2.475  -6.590
  280    HB   ILE  45           HB       ILE  45  -6.035   0.397  -5.182
  281   1HG1  ILE  45          HG12      ILE  45  -6.637   1.310  -7.683
  282   2HG1  ILE  45          HG13      ILE  45  -7.836   0.819  -6.495
  283   1HG2  ILE  45          HG21      ILE  45  -5.553   3.335  -4.865
  284   2HG2  ILE  45          HG22      ILE  45  -7.104   2.650  -4.386
  285   3HG2  ILE  45          HG23      ILE  45  -5.618   2.064  -3.642
  286   1HD1  ILE  45          HD11      ILE  45  -8.238   3.010  -7.670
  287   2HD1  ILE  45          HD12      ILE  45  -8.299   3.048  -5.903
  288   3HD1  ILE  45          HD13      ILE  45  -6.877   3.647  -6.749
  289    H    LEU  46           HN       LEU  46  -3.676  -0.915  -5.848
  290    HA   LEU  46           HA       LEU  46  -2.473  -0.529  -3.337
  291   1HB   LEU  46           HB2      LEU  46  -1.891  -2.619  -5.445
  292   2HB   LEU  46           HB3      LEU  46  -1.244  -2.652  -3.820
  293    HG   LEU  46           HG       LEU  46  -4.204  -2.690  -4.359
  294   1HD1  LEU  46          HD11      LEU  46  -2.370  -5.051  -3.967
  295   2HD1  LEU  46          HD12      LEU  46  -4.120  -5.094  -4.196
  296   3HD1  LEU  46          HD13      LEU  46  -3.068  -4.566  -5.511
  297   1HD2  LEU  46          HD21      LEU  46  -2.466  -2.806  -2.014
  298   2HD2  LEU  46          HD22      LEU  46  -4.185  -2.420  -2.134
  299   3HD2  LEU  46          HD23      LEU  46  -3.663  -4.105  -2.077
  300    H    LYS  47           HN       LYS  47  -1.214  -0.274  -6.616
  301    HA   LYS  47           HA       LYS  47   1.501  -0.004  -5.853
  302   1HB   LYS  47           HB2      LYS  47  -0.051   0.245  -8.345
  303   2HB   LYS  47           HB3      LYS  47   1.442   1.174  -8.286
  304   1HG   LYS  47           HG2      LYS  47   2.753  -0.757  -7.966
  305   2HG   LYS  47           HG3      LYS  47   1.341  -1.744  -7.585
  306   1HD   LYS  47           HD2      LYS  47   0.573  -1.200  -9.987
  307   2HD   LYS  47           HD3      LYS  47   2.245  -0.696 -10.250
  308   1HE   LYS  47           HE2      LYS  47   3.074  -2.864  -9.784
  309   2HE   LYS  47           HE3      LYS  47   1.529  -3.388  -9.116
  310   1HZ   LYS  47           HZ1      LYS  47   0.989  -4.120 -11.108
  311   2HZ   LYS  47           HZ2      LYS  47   2.441  -3.538 -11.764
  312   3HZ   LYS  47           HZ3      LYS  47   1.073  -2.543 -11.719
  313    H    LYS  48           HN       LYS  48  -0.899   2.466  -6.858
  314    HA   LYS  48           HA       LYS  48   0.906   4.613  -6.479
  315   1HB   LYS  48           HB2      LYS  48  -1.320   5.962  -6.277
  316   2HB   LYS  48           HB3      LYS  48  -0.846   5.255  -7.808
  317   1HG   LYS  48           HG2      LYS  48  -2.336   3.331  -7.305
  318   2HG   LYS  48           HG3      LYS  48  -2.891   4.200  -5.874
  319   1HD   LYS  48           HD2      LYS  48  -4.438   5.136  -7.191
  320   2HD   LYS  48           HD3      LYS  48  -3.126   6.067  -7.915
  321   1HE   LYS  48           HE2      LYS  48  -2.801   4.158  -9.521
  322   2HE   LYS  48           HE3      LYS  48  -4.284   3.459  -8.871
  323   1HZ   LYS  48           HZ1      LYS  48  -4.067   6.115 -10.202
  324   2HZ   LYS  48           HZ2      LYS  48  -5.495   5.424  -9.584
  325   3HZ   LYS  48           HZ3      LYS  48  -4.707   4.704 -10.895
  326    H    MET  49           HN       MET  49  -1.453   3.080  -4.342
  327    HA   MET  49           HA       MET  49  -1.192   5.000  -2.266
  328   1HB   MET  49           HB2      MET  49  -2.873   3.865  -1.332
  329   2HB   MET  49           HB3      MET  49  -2.862   2.836  -2.753
  330   1HG   MET  49           HG2      MET  49  -2.034   1.089  -1.623
  331   2HG   MET  49           HG3      MET  49  -0.940   2.101  -0.682
  332   1HE   MET  49           HE1      MET  49  -4.273   0.014  -0.475
  333   2HE   MET  49           HE2      MET  49  -5.344   1.185   0.295
  334   3HE   MET  49           HE3      MET  49  -4.698   1.503  -1.318
  335    H    ALA  50           HN       ALA  50   0.613   2.180  -3.192
  336    HA   ALA  50           HA       ALA  50   2.093   2.028  -0.729
  337   1HB   ALA  50           HB1      ALA  50   2.183   0.620  -3.345
  338   2HB   ALA  50           HB2      ALA  50   3.592   0.543  -2.287
  339   3HB   ALA  50           HB3      ALA  50   2.030  -0.038  -1.715
  340    H    ALA  51           HN       ALA  51   2.440   3.582  -3.826
  341    HA   ALA  51           HA       ALA  51   5.219   4.233  -3.438
  342   1HB   ALA  51           HB1      ALA  51   3.439   4.164  -5.611
  343   2HB   ALA  51           HB2      ALA  51   3.983   5.833  -5.461
  344   3HB   ALA  51           HB3      ALA  51   5.163   4.533  -5.637
  345    H    ILE  52           HN       ILE  52   2.128   5.946  -3.173
  346    HA   ILE  52           HA       ILE  52   3.535   8.387  -2.414
  347    HB   ILE  52           HB       ILE  52   0.683   7.709  -3.006
  348   1HG1  ILE  52          HG12      ILE  52   1.394  10.077  -4.257
  349   2HG1  ILE  52          HG13      ILE  52   2.889   9.142  -4.278
  350   1HG2  ILE  52          HG21      ILE  52   0.100   9.061  -1.294
  351   2HG2  ILE  52          HG22      ILE  52   1.633   9.931  -1.306
  352   3HG2  ILE  52          HG23      ILE  52   0.397  10.302  -2.511
  353   1HD1  ILE  52          HD11      ILE  52   2.064   7.610  -5.710
  354   2HD1  ILE  52          HD12      ILE  52   0.418   7.740  -5.088
  355   3HD1  ILE  52          HD13      ILE  52   1.046   8.973  -6.183
  356    H    LEU  53           HN       LEU  53   1.397   5.967  -1.039
  357    HA   LEU  53           HA       LEU  53   0.813   5.400   1.061
  358   1HB   LEU  53           HB2      LEU  53   3.539   6.494   1.363
  359   2HB   LEU  53           HB3      LEU  53   2.607   6.318   2.834
  360    HG   LEU  53           HG       LEU  53   2.927   4.041   0.907
  361   1HD1  LEU  53          HD11      LEU  53   4.661   3.486   2.935
  362   2HD1  LEU  53          HD12      LEU  53   5.120   4.084   1.341
  363   3HD1  LEU  53          HD13      LEU  53   4.933   5.210   2.690
  364   1HD2  LEU  53          HD21      LEU  53   2.517   4.009   3.881
  365   2HD2  LEU  53          HD22      LEU  53   1.179   4.067   2.733
  366   3HD2  LEU  53          HD23      LEU  53   2.295   2.699   2.725
  367    HA   PRO  54           HA       PRO  54  -0.907   9.542   2.002
  368   1HB   PRO  54           HB2      PRO  54  -3.467   8.925   1.158
  369   2HB   PRO  54           HB3      PRO  54  -2.241   9.743   0.188
  370   1HG   PRO  54           HG2      PRO  54  -3.347   7.123  -0.194
  371   2HG   PRO  54           HG3      PRO  54  -2.116   7.941  -1.166
  372   1HD   PRO  54           HD2      PRO  54  -1.803   5.887   0.922
  373   2HD   PRO  54           HD3      PRO  54  -0.694   6.347  -0.386
  374    H    MET  55           HN       MET  55  -1.037   9.519   4.161
  375    HA   MET  55           HA       MET  55  -2.529   7.499   5.580
  376   1HB   MET  55           HB2      MET  55  -0.428   9.302   6.178
  377   2HB   MET  55           HB3      MET  55  -1.766   9.709   7.245
  378   1HG   MET  55           HG2      MET  55  -1.292   6.847   7.100
  379   2HG   MET  55           HG3      MET  55   0.121   7.744   7.650
  380   1HE   MET  55           HE1      MET  55  -3.473   6.530   9.933
  381   2HE   MET  55           HE2      MET  55  -3.950   7.535   8.563
  382   3HE   MET  55           HE3      MET  55  -2.950   6.106   8.303
  383    H    ASN  56           HN       ASN  56  -2.722  11.006   5.156
  384    HA   ASN  56           HA       ASN  56  -5.277  11.135   6.481
  385   1HB   ASN  56           HB2      ASN  56  -4.414  13.158   6.912
  386   2HB   ASN  56           HB3      ASN  56  -3.187  12.973   5.666
  387   1HD2  ASN  56          HD21      ASN  56  -6.391  14.106   6.400
  388   2HD2  ASN  56          HD22      ASN  56  -6.545  15.156   5.021
  389    H    ASP  57           HN       ASP  57  -7.255  11.700   5.533
  390    HA   ASP  57           HA       ASP  57  -7.802  10.450   3.068
  391   1HB   ASP  57           HB2      ASP  57  -9.546  12.425   4.537
  392   2HB   ASP  57           HB3      ASP  57 -10.073  11.267   3.323
  393    H    SER  58           HN       SER  58  -7.034  13.806   3.771
  394    HA   SER  58           HA       SER  58  -8.049  14.862   1.328
  395   1HB   SER  58           HB2      SER  58  -5.776  16.152   2.764
  396   2HB   SER  58           HB3      SER  58  -7.188  16.896   2.018
  397    HG   SER  58           HG       SER  58  -8.444  15.949   3.741
  398    H    ALA  59           HN       ALA  59  -4.979  13.487   2.312
  399    HA   ALA  59           HA       ALA  59  -3.476  14.172   0.005
  400   1HB   ALA  59           HB1      ALA  59  -2.781  13.168   2.385
  401   2HB   ALA  59           HB2      ALA  59  -2.818  11.668   1.460
  402   3HB   ALA  59           HB3      ALA  59  -1.774  12.995   0.951
  403    H    PHE  60           HN       PHE  60  -5.823  11.790   0.738
  404    HA   PHE  60           HA       PHE  60  -5.220   9.799  -1.132
  405   1HB   PHE  60           HB2      PHE  60  -7.589  10.603   0.454
  406   2HB   PHE  60           HB3      PHE  60  -7.930   9.665  -0.990
  407    HD1  PHE  60           HD1      PHE  60  -7.965   9.118   2.199
  408    HD2  PHE  60           HD2      PHE  60  -5.572   7.940  -1.106
  409    HE1  PHE  60           HE1      PHE  60  -7.355   7.049   3.384
  410    HE2  PHE  60           HE2      PHE  60  -4.952   5.878   0.064
  411    HZ   PHE  60           HZ       PHE  60  -5.853   5.421   2.292
  412    H    ALA  61           HN       ALA  61  -6.509  12.980  -1.597
  413    HA   ALA  61           HA       ALA  61  -7.966  12.612  -3.969
  414   1HB   ALA  61           HB1      ALA  61  -6.984  15.136  -4.229
  415   2HB   ALA  61           HB2      ALA  61  -8.414  14.699  -3.295
  416   3HB   ALA  61           HB3      ALA  61  -6.855  14.875  -2.490
  417    H    THR  62           HN       THR  62  -4.508  12.796  -3.429
  418    HA   THR  62           HA       THR  62  -3.884  13.275  -6.200
  419    HB   THR  62           HB       THR  62  -1.577  12.387  -5.039
  420    HG1  THR  62           HG1      THR  62  -1.489  13.248  -3.017
  421   1HG2  THR  62          HG21      THR  62  -2.756  14.952  -5.836
  422   2HG2  THR  62          HG22      THR  62  -1.240  14.198  -6.327
  423   3HG2  THR  62          HG23      THR  62  -1.349  15.037  -4.779
  424    H    LEU  63           HN       LEU  63  -4.866  10.599  -4.494
  425    HA   LEU  63           HA       LEU  63  -3.293   8.582  -5.824
  426   1HB   LEU  63           HB2      LEU  63  -5.732   8.603  -4.080
  427   2HB   LEU  63           HB3      LEU  63  -5.442   7.189  -5.069
  428    HG   LEU  63           HG       LEU  63  -3.934   8.193  -2.706
  429   1HD1  LEU  63          HD11      LEU  63  -4.020   5.872  -2.071
  430   2HD1  LEU  63          HD12      LEU  63  -5.634   6.422  -2.519
  431   3HD1  LEU  63          HD13      LEU  63  -4.698   5.433  -3.639
  432   1HD2  LEU  63          HD21      LEU  63  -2.042   8.039  -3.963
  433   2HD2  LEU  63          HD22      LEU  63  -2.218   6.353  -3.477
  434   3HD2  LEU  63          HD23      LEU  63  -2.738   6.867  -5.083
  435    H    GLY  64           HN       GLY  64  -6.000  10.550  -6.522
  436   1HA   GLY  64           HA1      GLY  64  -6.486  10.668  -8.976
  437   2HA   GLY  64           HA2      GLY  64  -6.691   8.921  -8.891
  438    H    THR  65           HN       THR  65  -8.776   8.462  -9.034
  439    HA   THR  65           HA       THR  65 -10.636  10.086  -7.443
  440    HB   THR  65           HB       THR  65 -11.880   8.625  -9.574
  441    HG1  THR  65           HG1      THR  65 -10.194  10.738 -10.442
  442   1HG2  THR  65          HG21      THR  65 -11.790  11.488  -8.673
  443   2HG2  THR  65          HG22      THR  65 -13.125  10.344  -8.552
  444   3HG2  THR  65          HG23      THR  65 -12.667  10.995 -10.122
  445    H    VAL  66           HN       VAL  66 -10.064   8.454  -5.698
  446    HA   VAL  66           HA       VAL  66 -10.923   5.754  -6.090
  447    HB   VAL  66           HB       VAL  66 -10.711   5.518  -3.614
  448   1HG1  VAL  66          HG11      VAL  66  -8.808   5.242  -5.235
  449   2HG1  VAL  66          HG12      VAL  66  -8.305   6.874  -4.795
  450   3HG1  VAL  66          HG13      VAL  66  -8.343   5.611  -3.573
  451   1HG2  VAL  66          HG21      VAL  66 -11.284   7.994  -3.208
  452   2HG2  VAL  66          HG22      VAL  66 -10.039   7.249  -2.206
  453   3HG2  VAL  66          HG23      VAL  66  -9.582   8.294  -3.556
  454    H    GLU  67           HN       GLU  67 -12.899   4.890  -5.824
  455    HA   GLU  67           HA       GLU  67 -15.149   6.585  -5.650
  456   1HB   GLU  67           HB2      GLU  67 -14.646   3.684  -5.875
  457   2HB   GLU  67           HB3      GLU  67 -16.215   4.161  -5.261
  458   1HG   GLU  67           HG2      GLU  67 -16.921   4.795  -7.255
  459   2HG   GLU  67           HG3      GLU  67 -15.415   5.634  -7.633
  460    H    ASP  68           HN       ASP  68 -16.989   6.133  -4.124
  461    HA   ASP  68           HA       ASP  68 -16.196   6.667  -1.461
  462   1HB   ASP  68           HB2      ASP  68 -18.294   7.546  -1.989
  463   2HB   ASP  68           HB3      ASP  68 -18.809   6.089  -2.827
  464    H    LYS  69           HN       LYS  69 -17.190   3.793  -3.191
  465    HA   LYS  69           HA       LYS  69 -17.426   2.093  -0.943
  466   1HB   LYS  69           HB2      LYS  69 -17.151   0.245  -2.627
  467   2HB   LYS  69           HB3      LYS  69 -18.443   1.388  -2.974
  468   1HG   LYS  69           HG2      LYS  69 -16.681   2.564  -4.460
  469   2HG   LYS  69           HG3      LYS  69 -15.811   1.032  -4.356
  470   1HD   LYS  69           HD2      LYS  69 -18.539   0.478  -4.934
  471   2HD   LYS  69           HD3      LYS  69 -17.970   1.717  -6.054
  472   1HE   LYS  69           HE2      LYS  69 -15.904  -0.165  -5.876
  473   2HE   LYS  69           HE3      LYS  69 -17.391  -1.104  -5.999
  474   1HZ   LYS  69           HZ1      LYS  69 -16.357  -0.518  -8.164
  475   2HZ   LYS  69           HZ2      LYS  69 -16.685   1.116  -7.840
  476   3HZ   LYS  69           HZ3      LYS  69 -17.962   0.009  -8.005
  477    H    TYR  70           HN       TYR  70 -14.747   3.261  -2.796
  478    HA   TYR  70           HA       TYR  70 -12.856   1.308  -1.843
  479   1HB   TYR  70           HB2      TYR  70 -12.617   3.892  -3.382
  480   2HB   TYR  70           HB3      TYR  70 -11.190   3.072  -2.771
  481    HD1  TYR  70           HD1      TYR  70 -10.088   1.730  -4.262
  482    HD2  TYR  70           HD2      TYR  70 -14.278   2.245  -4.677
  483    HE1  TYR  70           HE1      TYR  70 -10.049   0.309  -6.263
  484    HE2  TYR  70           HE2      TYR  70 -14.266   0.832  -6.684
  485    HH   TYR  70           HH       TYR  70 -12.547  -1.162  -7.515
  486    H    ARG  71           HN       ARG  71 -13.772   4.628  -1.108
  487    HA   ARG  71           HA       ARG  71 -11.785   5.192   0.818
  488   1HB   ARG  71           HB2      ARG  71 -14.248   6.400  -0.159
  489   2HB   ARG  71           HB3      ARG  71 -14.070   6.615   1.573
  490   1HG   ARG  71           HG2      ARG  71 -11.636   7.168   0.066
  491   2HG   ARG  71           HG3      ARG  71 -12.992   8.233  -0.325
  492   1HD   ARG  71           HD2      ARG  71 -11.982   7.644   2.446
  493   2HD   ARG  71           HD3      ARG  71 -11.559   9.080   1.521
  494    HE   ARG  71           HE       ARG  71 -13.915   9.723   1.639
  495   1HH1  ARG  71          HH12      ARG  71 -12.729   7.298   3.855
  496   2HH1  ARG  71          HH11      ARG  71 -14.009   7.513   5.009
  497   1HH2  ARG  71          HH22      ARG  71 -15.616  10.056   3.156
  498   2HH2  ARG  71          HH21      ARG  71 -15.654   9.111   4.615
  499    H    ARG  72           HN       ARG  72 -14.930   3.636   1.015
  500    HA   ARG  72           HA       ARG  72 -15.359   3.614   3.758
  501   1HB   ARG  72           HB2      ARG  72 -16.072   1.752   1.543
  502   2HB   ARG  72           HB3      ARG  72 -16.463   1.330   3.200
  503   1HG   ARG  72           HG2      ARG  72 -17.842   3.326   3.398
  504   2HG   ARG  72           HG3      ARG  72 -17.405   3.802   1.751
  505   1HD   ARG  72           HD2      ARG  72 -18.202   1.224   1.441
  506   2HD   ARG  72           HD3      ARG  72 -19.306   1.811   2.690
  507    HE   ARG  72           HE       ARG  72 -19.257   3.729   0.683
  508   1HH1  ARG  72          HH12      ARG  72 -20.153   0.371   1.022
  509   2HH1  ARG  72          HH11      ARG  72 -21.396   0.438  -0.193
  510   1HH2  ARG  72          HH22      ARG  72 -20.840   3.835  -0.949
  511   2HH2  ARG  72          HH21      ARG  72 -21.790   2.420  -1.329
  512    H    ARG  73           HN       ARG  73 -14.437   0.675   2.031
  513    HA   ARG  73           HA       ARG  73 -13.321  -0.558   4.300
  514   1HB   ARG  73           HB2      ARG  73 -13.133  -2.419   3.023
  515   2HB   ARG  73           HB3      ARG  73 -14.214  -1.522   1.970
  516   1HG   ARG  73           HG2      ARG  73 -11.246  -1.335   1.622
  517   2HG   ARG  73           HG3      ARG  73 -12.154  -2.699   0.959
  518   1HD   ARG  73           HD2      ARG  73 -13.684  -0.705   0.081
  519   2HD   ARG  73           HD3      ARG  73 -12.155   0.163   0.220
  520    HE   ARG  73           HE       ARG  73 -11.204  -1.568  -1.265
  521   1HH1  ARG  73          HH12      ARG  73 -14.659  -0.950  -1.294
  522   2HH1  ARG  73          HH11      ARG  73 -14.912  -1.707  -2.834
  523   1HH2  ARG  73          HH22      ARG  73 -11.517  -2.499  -3.306
  524   2HH2  ARG  73          HH21      ARG  73 -13.107  -2.549  -4.008
  525    H    PHE  74           HN       PHE  74 -12.093   1.911   2.488
  526    HA   PHE  74           HA       PHE  74  -9.344   1.324   2.194
  527   1HB   PHE  74           HB2      PHE  74 -10.969   3.592   1.883
  528   2HB   PHE  74           HB3      PHE  74  -9.770   4.055   3.092
  529    HD1  PHE  74           HD1      PHE  74 -10.236   4.998   0.132
  530    HD2  PHE  74           HD2      PHE  74  -7.505   2.322   2.005
  531    HE1  PHE  74           HE1      PHE  74  -8.595   5.438  -1.640
  532    HE2  PHE  74           HE2      PHE  74  -5.865   2.767   0.227
  533    HZ   PHE  74           HZ       PHE  74  -6.399   4.320  -1.582
  534    H    LYS  75           HN       LYS  75 -11.273   2.243   4.944
  535    HA   LYS  75           HA       LYS  75  -9.316   2.952   6.796
  536   1HB   LYS  75           HB2      LYS  75 -10.998   2.367   8.513
  537   2HB   LYS  75           HB3      LYS  75 -11.678   3.330   7.209
  538   1HG   LYS  75           HG2      LYS  75 -13.291   1.808   7.059
  539   2HG   LYS  75           HG3      LYS  75 -12.085   0.696   6.393
  540   1HD   LYS  75           HD2      LYS  75 -11.812  -0.395   8.406
  541   2HD   LYS  75           HD3      LYS  75 -12.303   1.004   9.363
  542   1HE   LYS  75           HE2      LYS  75 -14.570   0.460   7.956
  543   2HE   LYS  75           HE3      LYS  75 -13.911  -1.157   8.211
  544   1HZ   LYS  75           HZ1      LYS  75 -13.724  -0.554  10.607
  545   2HZ   LYS  75           HZ2      LYS  75 -15.311  -0.674  10.031
  546   3HZ   LYS  75           HZ3      LYS  75 -14.602   0.857  10.272
  547    H    TYR  76           HN       TYR  76 -10.173  -0.213   5.576
  548    HA   TYR  76           HA       TYR  76  -9.073  -1.686   7.774
  549   1HB   TYR  76           HB2      TYR  76  -9.880  -2.393   4.965
  550   2HB   TYR  76           HB3      TYR  76  -9.069  -3.566   5.998
  551    HD1  TYR  76           HD1      TYR  76 -12.176  -2.319   4.979
  552    HD2  TYR  76           HD2      TYR  76 -10.156  -3.844   8.393
  553    HE1  TYR  76           HE1      TYR  76 -14.339  -2.910   5.986
  554    HE2  TYR  76           HE2      TYR  76 -12.315  -4.445   9.413
  555    HH   TYR  76           HH       TYR  76 -14.504  -4.514   9.167
  556    H    PHE  77           HN       PHE  77  -7.740   0.106   5.273
  557    HA   PHE  77           HA       PHE  77  -5.160  -1.315   5.366
  558   1HB   PHE  77           HB2      PHE  77  -6.518   0.466   3.385
  559   2HB   PHE  77           HB3      PHE  77  -4.767   0.535   3.480
  560    HD1  PHE  77           HD1      PHE  77  -6.953  -0.524   1.370
  561    HD2  PHE  77           HD2      PHE  77  -4.105  -2.308   3.971
  562    HE1  PHE  77           HE1      PHE  77  -6.820  -2.466  -0.123
  563    HE2  PHE  77           HE2      PHE  77  -3.968  -4.266   2.488
  564    HZ   PHE  77           HZ       PHE  77  -5.323  -4.347   0.435
  565    H    LYS  78           HN       LYS  78  -6.879   1.413   6.450
  566    HA   LYS  78           HA       LYS  78  -5.012   3.440   6.570
  567   1HB   LYS  78           HB2      LYS  78  -7.575   3.158   7.376
  568   2HB   LYS  78           HB3      LYS  78  -6.764   3.172   8.933
  569   1HG   LYS  78           HG2      LYS  78  -7.550   5.396   8.204
  570   2HG   LYS  78           HG3      LYS  78  -5.807   5.321   8.481
  571   1HD   LYS  78           HD2      LYS  78  -5.457   6.066   6.418
  572   2HD   LYS  78           HD3      LYS  78  -6.256   4.634   5.774
  573   1HE   LYS  78           HE2      LYS  78  -7.649   6.155   4.868
  574   2HE   LYS  78           HE3      LYS  78  -8.408   6.093   6.459
  575   1HZ   LYS  78           HZ1      LYS  78  -7.923   8.370   5.589
  576   2HZ   LYS  78           HZ2      LYS  78  -6.271   8.026   5.766
  577   3HZ   LYS  78           HZ3      LYS  78  -7.288   8.048   7.126
  578    H    ALA  79           HN       ALA  79  -5.286   0.637   8.691
  579    HA   ALA  79           HA       ALA  79  -3.469   1.667  10.654
  580   1HB   ALA  79           HB1      ALA  79  -4.179  -1.223  10.171
  581   2HB   ALA  79           HB2      ALA  79  -3.550  -0.505  11.654
  582   3HB   ALA  79           HB3      ALA  79  -5.180  -0.109  11.105
  583    H    THR  80           HN       THR  80  -3.257  -0.270   7.763
  584    HA   THR  80           HA       THR  80  -0.526  -1.023   8.103
  585    HB   THR  80           HB       THR  80  -1.617  -1.040   5.369
  586    HG1  THR  80           HG1      THR  80  -2.869  -2.909   7.000
  587   1HG2  THR  80          HG21      THR  80   0.265  -2.396   5.738
  588   2HG2  THR  80          HG22      THR  80  -1.083  -3.533   5.738
  589   3HG2  THR  80          HG23      THR  80  -0.367  -3.013   7.264
  590    H    ILE  81           HN       ILE  81  -2.250   1.393   6.139
  591    HA   ILE  81           HA       ILE  81  -0.001   2.451   4.812
  592    HB   ILE  81           HB       ILE  81  -2.500   3.986   5.564
  593   1HG1  ILE  81          HG12      ILE  81  -2.095   2.507   2.978
  594   2HG1  ILE  81          HG13      ILE  81  -2.825   1.728   4.378
  595   1HG2  ILE  81          HG21      ILE  81  -1.398   5.653   4.559
  596   2HG2  ILE  81          HG22      ILE  81  -0.190   4.558   3.884
  597   3HG2  ILE  81          HG23      ILE  81  -1.733   4.781   3.058
  598   1HD1  ILE  81          HD11      ILE  81  -4.599   3.398   4.393
  599   2HD1  ILE  81          HD12      ILE  81  -3.851   4.207   3.014
  600   3HD1  ILE  81          HD13      ILE  81  -4.502   2.577   2.833
  601    H    ALA  82           HN       ALA  82  -1.195   2.853   8.047
  602    HA   ALA  82           HA       ALA  82   0.242   5.275   8.614
  603   1HB   ALA  82           HB1      ALA  82  -1.769   3.765   9.875
  604   2HB   ALA  82           HB2      ALA  82  -0.391   3.791  10.977
  605   3HB   ALA  82           HB3      ALA  82  -1.078   5.303  10.397
  606    H    ASP  83           HN       ASP  83   0.829   1.841   8.957
  607    HA   ASP  83           HA       ASP  83   3.198   2.179  10.560
  608   1HB   ASP  83           HB2      ASP  83   2.083   0.154  10.963
  609   2HB   ASP  83           HB3      ASP  83   1.825  -0.157   9.249
  610    H    LEU  84           HN       LEU  84   2.490   1.327   7.193
  611    HA   LEU  84           HA       LEU  84   5.175   0.956   6.436
  612   1HB   LEU  84           HB2      LEU  84   2.795   1.674   4.749
  613   2HB   LEU  84           HB3      LEU  84   4.338   1.110   4.127
  614    HG   LEU  84           HG       LEU  84   2.906  -0.574   6.134
  615   1HD1  LEU  84          HD11      LEU  84   2.005  -0.015   3.374
  616   2HD1  LEU  84          HD12      LEU  84   1.949  -1.685   3.936
  617   3HD1  LEU  84          HD13      LEU  84   1.072  -0.427   4.810
  618   1HD2  LEU  84          HD21      LEU  84   4.334  -2.157   5.468
  619   2HD2  LEU  84          HD22      LEU  84   4.123  -1.765   3.767
  620   3HD2  LEU  84          HD23      LEU  84   5.250  -0.831   4.751
  621    H    SER  85           HN       SER  85   3.254   3.884   6.665
  622    HA   SER  85           HA       SER  85   5.034   5.489   5.087
  623   1HB   SER  85           HB2      SER  85   3.828   7.383   6.404
  624   2HB   SER  85           HB3      SER  85   2.889   6.414   5.269
  625    HG   SER  85           HG       SER  85   1.797   5.561   6.866
  626    H    LYS  86           HN       LYS  86   4.818   4.466   8.397
  627    HA   LYS  86           HA       LYS  86   6.837   6.328   9.326
  628   1HB   LYS  86           HB2      LYS  86   4.746   5.119  10.546
  629   2HB   LYS  86           HB3      LYS  86   6.029   4.008  10.985
  630   1HG   LYS  86           HG2      LYS  86   6.606   6.873  11.362
  631   2HG   LYS  86           HG3      LYS  86   5.382   6.170  12.420
  632   1HD   LYS  86           HD2      LYS  86   6.901   5.048  13.596
  633   2HD   LYS  86           HD3      LYS  86   7.735   4.488  12.145
  634   1HE   LYS  86           HE2      LYS  86   7.990   7.290  13.189
  635   2HE   LYS  86           HE3      LYS  86   9.052   5.990  13.722
  636   1HZ   LYS  86           HZ1      LYS  86  10.243   6.895  12.008
  637   2HZ   LYS  86           HZ2      LYS  86   8.870   7.285  11.085
  638   3HZ   LYS  86           HZ3      LYS  86   9.399   5.680  11.175
  639    H    LYS  87           HN       LYS  87   6.736   3.372   7.742
  640    HA   LYS  87           HA       LYS  87   9.281   2.420   8.826
  641   1HB   LYS  87           HB2      LYS  87   7.236   1.161   7.002
  642   2HB   LYS  87           HB3      LYS  87   8.818   0.448   7.275
  643   1HG   LYS  87           HG2      LYS  87   7.324   1.126   9.711
  644   2HG   LYS  87           HG3      LYS  87   6.613  -0.138   8.706
  645   1HD   LYS  87           HD2      LYS  87   9.179  -0.937   8.678
  646   2HD   LYS  87           HD3      LYS  87   9.133  -0.131  10.247
  647   1HE   LYS  87           HE2      LYS  87   7.234  -2.297   9.349
  648   2HE   LYS  87           HE3      LYS  87   8.632  -2.531  10.400
  649   1HZ   LYS  87           HZ1      LYS  87   7.559  -0.751  11.847
  650   2HZ   LYS  87           HZ2      LYS  87   6.865  -2.297  11.866
  651   3HZ   LYS  87           HZ3      LYS  87   6.137  -1.047  10.972
  652    H    ARG  88           HN       ARG  88   8.026   4.199   6.246
  653    HA   ARG  88           HA       ARG  88   9.747   3.550   4.142
  654   1HB   ARG  88           HB2      ARG  88   7.668   4.967   4.029
  655   2HB   ARG  88           HB3      ARG  88   8.601   6.288   4.723
  656   1HG   ARG  88           HG2      ARG  88  10.168   6.107   2.805
  657   2HG   ARG  88           HG3      ARG  88   9.093   4.908   2.093
  658   1HD   ARG  88           HD2      ARG  88   7.286   6.767   2.427
  659   2HD   ARG  88           HD3      ARG  88   8.683   7.837   2.483
  660    HE   ARG  88           HE       ARG  88   9.245   6.693   0.238
  661   1HH1  ARG  88          HH12      ARG  88   6.015   7.397   1.422
  662   2HH1  ARG  88          HH11      ARG  88   5.341   7.596  -0.167
  663   1HH2  ARG  88          HH22      ARG  88   8.384   6.973  -1.837
  664   2HH2  ARG  88          HH21      ARG  88   6.699   7.335  -2.044
  665    H    SER  89           HN       SER  89  11.839   3.548   4.177
  666    HA   SER  89           HA       SER  89  13.991   4.132   4.431
  667   1HB   SER  89           HB2      SER  89  13.267   6.979   5.010
  668   2HB   SER  89           HB3      SER  89  14.582   6.345   4.026
  669    HG   SER  89           HG       SER  89  12.139   7.133   3.253
  670    H    SER  90           HN       SER  90  12.312   3.399   6.728
  671    HA   SER  90           HA       SER  90  12.602   2.975   8.933
  672   1HB   SER  90           HB2      SER  90  15.124   4.627   8.924
  673   2HB   SER  90           HB3      SER  90  14.687   3.296   9.995
  674    HG   SER  90           HG       SER  90  14.684   2.610   7.341
  675    H    GLU  91           HN       GLU  91  13.368   6.356   8.101
  676    HA   GLU  91           HA       GLU  91  11.503   7.183  10.223
  677   1HB   GLU  91           HB2      GLU  91  14.317   8.072   9.766
  678   2HB   GLU  91           HB3      GLU  91  13.147   9.273  10.290
  679   1HG   GLU  91           HG2      GLU  91  13.726   6.699  11.745
  680   2HG   GLU  91           HG3      GLU  91  14.415   8.269  12.157
  Start of MODEL   10
    1    H    GLU  11           HN       GLU  11  19.951  -1.235  -0.133
    2    HA   GLU  11           HA       GLU  11  18.200  -3.574  -0.325
    3   1HB   GLU  11           HB2      GLU  11  20.329  -3.044   1.389
    4   2HB   GLU  11           HB3      GLU  11  18.895  -2.817   2.381
    5   1HG   GLU  11           HG2      GLU  11  18.722  -5.210   0.766
    6   2HG   GLU  11           HG3      GLU  11  20.153  -5.214   1.791
    7    H    LEU  12           HN       LEU  12  17.341  -0.955  -1.031
    8    HA   LEU  12           HA       LEU  12  15.648  -0.098   1.182
    9   1HB   LEU  12           HB2      LEU  12  16.325   1.062  -1.497
   10   2HB   LEU  12           HB3      LEU  12  14.915   1.624  -0.621
   11    HG   LEU  12           HG       LEU  12  17.782   1.786   0.314
   12   1HD1  LEU  12          HD11      LEU  12  15.941   3.571  -1.083
   13   2HD1  LEU  12          HD12      LEU  12  16.701   4.291   0.336
   14   3HD1  LEU  12          HD13      LEU  12  17.699   3.628  -0.960
   15   1HD2  LEU  12          HD21      LEU  12  17.091   2.229   2.388
   16   2HD2  LEU  12          HD22      LEU  12  15.769   3.248   1.820
   17   3HD2  LEU  12          HD23      LEU  12  15.554   1.501   1.916
   18    H    ASN  13           HN       ASN  13  14.724  -2.355   0.883
   19    HA   ASN  13           HA       ASN  13  12.798  -2.608  -1.275
   20   1HB   ASN  13           HB2      ASN  13  14.291  -4.440   0.028
   21   2HB   ASN  13           HB3      ASN  13  12.822  -4.521   0.999
   22   1HD2  ASN  13          HD21      ASN  13  12.003  -6.405   0.413
   23   2HD2  ASN  13          HD22      ASN  13  11.576  -6.850  -1.204
   24    H    ASN  14           HN       ASN  14  12.406  -0.432   0.489
   25    HA   ASN  14           HA       ASN  14  10.439  -1.038   2.465
   26   1HB   ASN  14           HB2      ASN  14  12.082   1.088   1.970
   27   2HB   ASN  14           HB3      ASN  14  10.525   1.710   1.441
   28   1HD2  ASN  14          HD21      ASN  14  12.253   2.396   3.742
   29   2HD2  ASN  14          HD22      ASN  14  11.234   2.246   5.135
   30    H    LEU  15           HN       LEU  15  10.199   0.801  -0.601
   31    HA   LEU  15           HA       LEU  15   7.387   0.912  -0.548
   32   1HB   LEU  15           HB2      LEU  15   9.287   2.099  -2.050
   33   2HB   LEU  15           HB3      LEU  15   8.696   0.911  -3.198
   34    HG   LEU  15           HG       LEU  15   6.579   2.415  -1.826
   35   1HD1  LEU  15          HD11      LEU  15   7.929   4.301  -1.964
   36   2HD1  LEU  15          HD12      LEU  15   8.657   3.790  -3.489
   37   3HD1  LEU  15          HD13      LEU  15   6.987   4.356  -3.453
   38   1HD2  LEU  15          HD21      LEU  15   5.938   0.997  -3.588
   39   2HD2  LEU  15          HD22      LEU  15   5.858   2.627  -4.253
   40   3HD2  LEU  15          HD23      LEU  15   7.226   1.581  -4.643
   41    H    ARG  16           HN       ARG  16   9.597  -1.475  -1.921
   42    HA   ARG  16           HA       ARG  16   7.640  -2.917  -3.368
   43   1HB   ARG  16           HB2      ARG  16  10.241  -3.114  -3.412
   44   2HB   ARG  16           HB3      ARG  16   9.986  -4.278  -2.121
   45   1HG   ARG  16           HG2      ARG  16   8.262  -5.298  -3.820
   46   2HG   ARG  16           HG3      ARG  16   9.254  -4.449  -5.004
   47   1HD   ARG  16           HD2      ARG  16  10.595  -6.218  -4.972
   48   2HD   ARG  16           HD3      ARG  16  11.098  -5.700  -3.366
   49    HE   ARG  16           HE       ARG  16   8.709  -7.258  -3.247
   50   1HH1  ARG  16          HH12      ARG  16  12.183  -7.499  -3.622
   51   2HH1  ARG  16          HH11      ARG  16  12.271  -9.097  -2.946
   52   1HH2  ARG  16          HH22      ARG  16   8.813  -9.338  -2.339
   53   2HH2  ARG  16          HH21      ARG  16  10.357 -10.146  -2.214
   54    H    MET  17           HN       MET  17   8.775  -3.044  -0.051
   55    HA   MET  17           HA       MET  17   7.246  -5.344   0.676
   56   1HB   MET  17           HB2      MET  17   9.156  -3.662   1.947
   57   2HB   MET  17           HB3      MET  17   7.706  -3.630   2.937
   58   1HG   MET  17           HG2      MET  17   8.694  -6.271   1.996
   59   2HG   MET  17           HG3      MET  17   9.581  -5.448   3.277
   60   1HE   MET  17           HE1      MET  17   6.061  -7.219   2.387
   61   2HE   MET  17           HE2      MET  17   7.561  -8.100   2.675
   62   3HE   MET  17           HE3      MET  17   6.245  -8.190   3.847
   63    H    THR  18           HN       THR  18   6.665  -1.897   0.592
   64    HA   THR  18           HA       THR  18   4.311  -1.819   2.154
   65    HB   THR  18           HB       THR  18   5.003  -0.017  -0.174
   66    HG1  THR  18           HG1      THR  18   6.659  -0.278   1.561
   67   1HG2  THR  18          HG21      THR  18   3.104   1.022   0.353
   68   2HG2  THR  18          HG22      THR  18   3.801   1.406   1.928
   69   3HG2  THR  18          HG23      THR  18   2.841  -0.060   1.723
   70    H    TYR  19           HN       TYR  19   4.808  -2.053  -1.352
   71    HA   TYR  19           HA       TYR  19   2.071  -2.291  -1.994
   72   1HB   TYR  19           HB2      TYR  19   3.476  -1.654  -3.765
   73   2HB   TYR  19           HB3      TYR  19   4.627  -2.943  -3.436
   74    HD1  TYR  19           HD1      TYR  19   1.307  -2.189  -4.855
   75    HD2  TYR  19           HD2      TYR  19   4.381  -5.104  -4.429
   76    HE1  TYR  19           HE1      TYR  19   0.230  -3.559  -6.583
   77    HE2  TYR  19           HE2      TYR  19   3.302  -6.488  -6.163
   78    HH   TYR  19           HH       TYR  19   1.493  -6.758  -7.463
   79    H    GLU  20           HN       GLU  20   4.603  -4.718  -1.386
   80    HA   GLU  20           HA       GLU  20   2.958  -6.943  -2.013
   81   1HB   GLU  20           HB2      GLU  20   5.664  -6.507  -1.176
   82   2HB   GLU  20           HB3      GLU  20   4.961  -7.785  -0.193
   83   1HG   GLU  20           HG2      GLU  20   4.672  -9.182  -1.992
   84   2HG   GLU  20           HG3      GLU  20   4.570  -7.846  -3.132
   85    H    ARG  21           HN       ARG  21   3.601  -5.219   1.010
   86    HA   ARG  21           HA       ARG  21   2.304  -7.095   2.709
   87   1HB   ARG  21           HB2      ARG  21   3.810  -4.957   3.217
   88   2HB   ARG  21           HB3      ARG  21   2.243  -4.179   3.362
   89   1HG   ARG  21           HG2      ARG  21   2.003  -4.981   5.398
   90   2HG   ARG  21           HG3      ARG  21   2.200  -6.633   4.811
   91   1HD   ARG  21           HD2      ARG  21   4.085  -6.687   6.002
   92   2HD   ARG  21           HD3      ARG  21   4.763  -5.614   4.781
   93    HE   ARG  21           HE       ARG  21   3.439  -4.014   6.626
   94   1HH1  ARG  21          HH12      ARG  21   6.148  -6.233   6.609
   95   2HH1  ARG  21          HH11      ARG  21   6.995  -5.417   7.882
   96   1HH2  ARG  21          HH22      ARG  21   4.558  -2.920   8.321
   97   2HH2  ARG  21          HH21      ARG  21   6.098  -3.547   8.856
   98    H    LEU  22           HN       LEU  22   1.246  -4.385   0.774
   99    HA   LEU  22           HA       LEU  22  -1.428  -4.212   1.760
  100   1HB   LEU  22           HB2      LEU  22   0.121  -3.175  -0.532
  101   2HB   LEU  22           HB3      LEU  22  -1.609  -3.264  -0.756
  102    HG   LEU  22           HG       LEU  22  -0.543  -1.949   1.682
  103   1HD1  LEU  22          HD11      LEU  22  -0.277   0.147   0.491
  104   2HD1  LEU  22          HD12      LEU  22   0.823  -1.068  -0.153
  105   3HD1  LEU  22          HD13      LEU  22  -0.641  -0.650  -1.041
  106   1HD2  LEU  22          HD21      LEU  22  -2.814  -1.897   1.757
  107   2HD2  LEU  22          HD22      LEU  22  -2.561  -0.449   0.790
  108   3HD2  LEU  22          HD23      LEU  22  -3.000  -1.972   0.003
  109    H    ARG  23           HN       ARG  23   0.188  -5.944  -0.830
  110    HA   ARG  23           HA       ARG  23  -2.111  -6.959  -2.106
  111   1HB   ARG  23           HB2      ARG  23  -0.004  -6.962  -3.247
  112   2HB   ARG  23           HB3      ARG  23   0.734  -7.936  -1.982
  113   1HG   ARG  23           HG2      ARG  23  -0.187  -9.879  -2.739
  114   2HG   ARG  23           HG3      ARG  23  -1.593  -9.064  -3.427
  115   1HD   ARG  23           HD2      ARG  23   0.247  -8.019  -5.017
  116   2HD   ARG  23           HD3      ARG  23   1.111  -9.494  -4.588
  117    HE   ARG  23           HE       ARG  23  -0.824 -10.748  -5.454
  118   1HH1  ARG  23          HH12      ARG  23  -0.376  -7.431  -6.496
  119   2HH1  ARG  23          HH11      ARG  23  -1.331  -7.604  -7.931
  120   1HH2  ARG  23          HH22      ARG  23  -2.086 -10.995  -7.338
  121   2HH2  ARG  23          HH21      ARG  23  -2.312  -9.642  -8.411
  122    H    GLU  24           HN       GLU  24   0.009  -8.345   0.385
  123    HA   GLU  24           HA       GLU  24  -1.419 -10.795   0.587
  124   1HB   GLU  24           HB2      GLU  24   0.972 -10.291   1.396
  125   2HB   GLU  24           HB3      GLU  24   0.217  -9.557   2.793
  126   1HG   GLU  24           HG2      GLU  24  -0.867 -12.172   2.343
  127   2HG   GLU  24           HG3      GLU  24   0.893 -12.209   2.452
  128    H    LEU  25           HN       LEU  25  -1.659  -7.655   2.147
  129    HA   LEU  25           HA       LEU  25  -3.498  -8.475   4.152
  130   1HB   LEU  25           HB2      LEU  25  -2.046  -6.210   3.723
  131   2HB   LEU  25           HB3      LEU  25  -3.649  -5.676   3.256
  132    HG   LEU  25           HG       LEU  25  -2.522  -6.084   5.887
  133   1HD1  LEU  25          HD11      LEU  25  -4.875  -4.848   6.257
  134   2HD1  LEU  25          HD12      LEU  25  -3.406  -4.042   5.707
  135   3HD1  LEU  25          HD13      LEU  25  -4.621  -4.542   4.536
  136   1HD2  LEU  25          HD21      LEU  25  -5.016  -6.897   6.590
  137   2HD2  LEU  25          HD22      LEU  25  -4.774  -7.813   5.102
  138   3HD2  LEU  25          HD23      LEU  25  -3.628  -7.973   6.432
  139    H    SER  26           HN       SER  26  -3.832  -7.273   0.859
  140    HA   SER  26           HA       SER  26  -6.605  -6.782   0.933
  141   1HB   SER  26           HB2      SER  26  -4.967  -7.654  -1.462
  142   2HB   SER  26           HB3      SER  26  -6.529  -6.845  -1.501
  143    HG   SER  26           HG       SER  26  -4.174  -5.733  -0.380
  144    H    LEU  27           HN       LEU  27  -4.698  -9.672   0.356
  145    HA   LEU  27           HA       LEU  27  -6.968 -11.293  -0.367
  146   1HB   LEU  27           HB2      LEU  27  -4.054 -11.657  -0.072
  147   2HB   LEU  27           HB3      LEU  27  -5.010 -13.073   0.315
  148    HG   LEU  27           HG       LEU  27  -6.122 -12.744  -1.975
  149   1HD1  LEU  27          HD11      LEU  27  -5.012 -11.463  -3.611
  150   2HD1  LEU  27          HD12      LEU  27  -5.149 -10.406  -2.206
  151   3HD1  LEU  27          HD13      LEU  27  -3.614 -11.195  -2.569
  152   1HD2  LEU  27          HD21      LEU  27  -3.319 -13.381  -2.538
  153   2HD2  LEU  27          HD22      LEU  27  -3.984 -14.229  -1.142
  154   3HD2  LEU  27          HD23      LEU  27  -4.765 -14.371  -2.719
  155    H    ASN  28           HN       ASN  28  -5.141 -10.581   2.533
  156    HA   ASN  28           HA       ASN  28  -6.243 -12.649   4.164
  157   1HB   ASN  28           HB2      ASN  28  -4.136 -10.936   4.418
  158   2HB   ASN  28           HB3      ASN  28  -5.293 -10.171   5.494
  159   1HD2  ASN  28          HD21      ASN  28  -2.885 -12.426   5.272
  160   2HD2  ASN  28          HD22      ASN  28  -3.237 -13.341   6.698
  161    H    LEU  29           HN       LEU  29  -6.796  -9.121   4.147
  162    HA   LEU  29           HA       LEU  29  -9.022  -9.177   5.889
  163   1HB   LEU  29           HB2      LEU  29  -8.127  -7.182   3.820
  164   2HB   LEU  29           HB3      LEU  29  -9.564  -6.944   4.788
  165    HG   LEU  29           HG       LEU  29  -6.824  -7.312   5.972
  166   1HD1  LEU  29          HD11      LEU  29  -8.227  -4.688   5.821
  167   2HD1  LEU  29          HD12      LEU  29  -6.501  -5.037   5.973
  168   3HD1  LEU  29          HD13      LEU  29  -7.314  -5.267   4.426
  169   1HD2  LEU  29          HD21      LEU  29  -8.002  -7.548   7.850
  170   2HD2  LEU  29          HD22      LEU  29  -8.446  -5.848   7.676
  171   3HD2  LEU  29          HD23      LEU  29  -9.507  -7.109   7.043
  172    H    GLY  30           HN       GLY  30  -8.673  -9.322   2.401
  173   1HA   GLY  30           HA1      GLY  30 -11.349  -9.057   1.664
  174   2HA   GLY  30           HA2      GLY  30 -10.122  -9.900   0.726
  175    H    ASN  31           HN       ASN  31  -9.468 -12.051   2.211
  176    HA   ASN  31           HA       ASN  31 -11.755 -13.728   1.893
  177   1HB   ASN  31           HB2      ASN  31  -9.233 -14.307   1.636
  178   2HB   ASN  31           HB3      ASN  31  -9.277 -14.542   3.381
  179   1HD2  ASN  31          HD21      ASN  31 -10.459 -15.695   0.300
  180   2HD2  ASN  31          HD22      ASN  31 -11.028 -17.225   0.886
  181    H    ARG  32           HN       ARG  32 -10.679 -11.770   4.449
  182    HA   ARG  32           HA       ARG  32 -11.890 -13.357   6.571
  183   1HB   ARG  32           HB2      ARG  32  -9.783 -11.679   6.577
  184   2HB   ARG  32           HB3      ARG  32 -11.048 -10.559   7.065
  185   1HG   ARG  32           HG2      ARG  32 -11.525 -11.769   9.016
  186   2HG   ARG  32           HG3      ARG  32 -10.660 -13.196   8.438
  187   1HD   ARG  32           HD2      ARG  32  -8.954 -10.852   8.535
  188   2HD   ARG  32           HD3      ARG  32  -9.661 -11.223  10.106
  189    HE   ARG  32           HE       ARG  32  -7.772 -12.854   8.596
  190   1HH1  ARG  32          HH12      ARG  32  -9.917 -12.631  11.385
  191   2HH1  ARG  32          HH11      ARG  32  -9.103 -13.899  12.248
  192   1HH2  ARG  32          HH22      ARG  32  -6.710 -14.498   9.765
  193   2HH2  ARG  32          HH21      ARG  32  -7.305 -14.960  11.334
  194    H    MET  33           HN       MET  33 -12.948 -11.338   4.223
  195    HA   MET  33           HA       MET  33 -15.096 -10.160   5.813
  196   1HB   MET  33           HB2      MET  33 -13.633  -9.237   3.576
  197   2HB   MET  33           HB3      MET  33 -15.245  -9.596   2.972
  198   1HG   MET  33           HG2      MET  33 -16.022  -7.727   3.826
  199   2HG   MET  33           HG3      MET  33 -15.503  -8.215   5.439
  200   1HE   MET  33           HE1      MET  33 -15.735  -5.869   3.123
  201   2HE   MET  33           HE2      MET  33 -14.925  -4.599   4.042
  202   3HE   MET  33           HE3      MET  33 -14.182  -5.248   2.574
  203    H    VAL  34           HN       VAL  34 -17.324 -10.331   4.808
  204    HA   VAL  34           HA       VAL  34 -17.724 -12.875   3.391
  205    HB   VAL  34           HB       VAL  34 -19.240 -11.996   5.864
  206   1HG1  VAL  34          HG11      VAL  34 -20.568 -14.042   5.552
  207   2HG1  VAL  34          HG12      VAL  34 -20.775 -12.917   4.211
  208   3HG1  VAL  34          HG13      VAL  34 -19.741 -14.337   4.023
  209   1HG2  VAL  34          HG21      VAL  34 -17.138 -13.991   5.287
  210   2HG2  VAL  34          HG22      VAL  34 -17.486 -13.099   6.768
  211   3HG2  VAL  34          HG23      VAL  34 -18.450 -14.512   6.345
  212    HA   PRO  35           HA       PRO  35 -18.482 -13.598   1.795
  213   1HB   PRO  35           HB2      PRO  35 -18.410 -13.133  -0.874
  214   2HB   PRO  35           HB3      PRO  35 -19.856 -13.707  -0.044
  215   1HG   PRO  35           HG2      PRO  35 -19.175 -10.959  -0.985
  216   2HG   PRO  35           HG3      PRO  35 -20.735 -11.802  -0.996
  217   1HD   PRO  35           HD2      PRO  35 -20.003  -9.915   0.856
  218   2HD   PRO  35           HD3      PRO  35 -21.215 -11.173   1.146
  219    HA   PRO  36           HA       PRO  36 -14.261 -12.361   1.609
  220   1HB   PRO  36           HB2      PRO  36 -13.237 -14.265  -0.100
  221   2HB   PRO  36           HB3      PRO  36 -13.502 -14.491   1.631
  222   1HG   PRO  36           HG2      PRO  36 -15.192 -15.352  -0.671
  223   2HG   PRO  36           HG3      PRO  36 -14.847 -16.196   0.849
  224   1HD   PRO  36           HD2      PRO  36 -17.188 -14.935   0.418
  225   2HD   PRO  36           HD3      PRO  36 -16.428 -14.989   2.022
  226    H    VAL  37           HN       VAL  37 -13.318 -10.785   0.543
  227    HA   VAL  37           HA       VAL  37 -14.121 -10.183  -2.175
  228    HB   VAL  37           HB       VAL  37 -12.077  -8.511  -0.817
  229   1HG1  VAL  37          HG11      VAL  37 -13.740  -8.283  -3.019
  230   2HG1  VAL  37          HG12      VAL  37 -14.446  -7.205  -1.813
  231   3HG1  VAL  37          HG13      VAL  37 -12.762  -7.007  -2.289
  232   1HG2  VAL  37          HG21      VAL  37 -14.682  -7.666   0.077
  233   2HG2  VAL  37          HG22      VAL  37 -14.341  -9.301   0.646
  234   3HG2  VAL  37          HG23      VAL  37 -13.230  -7.991   1.024
  235    H    GLY  38           HN       GLY  38 -13.019 -10.831  -3.870
  236   1HA   GLY  38           HA1      GLY  38 -10.355 -11.943  -3.553
  237   2HA   GLY  38           HA2      GLY  38 -11.312 -11.916  -5.034
  238    H    ASN  39           HN       ASN  39 -11.909  -9.083  -4.642
  239    HA   ASN  39           HA       ASN  39  -9.324  -7.923  -5.441
  240   1HB   ASN  39           HB2      ASN  39 -11.139  -8.241  -7.245
  241   2HB   ASN  39           HB3      ASN  39 -11.990  -6.938  -6.427
  242   1HD2  ASN  39          HD21      ASN  39 -11.695  -5.972  -8.616
  243   2HD2  ASN  39          HD22      ASN  39 -10.237  -5.070  -8.901
  244    H    PHE  40           HN       PHE  40  -9.440  -7.704  -2.965
  245    HA   PHE  40           HA       PHE  40 -11.135  -5.921  -1.649
  246   1HB   PHE  40           HB2      PHE  40  -9.528  -7.507  -0.577
  247   2HB   PHE  40           HB3      PHE  40  -8.203  -6.465  -1.068
  248    HD1  PHE  40           HD1      PHE  40  -7.297  -5.351   0.728
  249    HD2  PHE  40           HD2      PHE  40 -11.513  -5.904   0.548
  250    HE1  PHE  40           HE1      PHE  40  -7.550  -4.073   2.815
  251    HE2  PHE  40           HE2      PHE  40 -11.784  -4.626   2.631
  252    HZ   PHE  40           HZ       PHE  40  -9.702  -3.759   3.812
  253    H    MET  41           HN       MET  41  -7.953  -5.314  -3.142
  254    HA   MET  41           HA       MET  41  -8.764  -2.565  -3.654
  255   1HB   MET  41           HB2      MET  41  -7.383  -2.722  -1.503
  256   2HB   MET  41           HB3      MET  41  -6.039  -3.201  -2.529
  257   1HG   MET  41           HG2      MET  41  -6.001  -0.833  -1.948
  258   2HG   MET  41           HG3      MET  41  -6.102  -1.107  -3.685
  259   1HE   MET  41           HE1      MET  41  -7.731  -0.393  -0.499
  260   2HE   MET  41           HE2      MET  41  -8.114   1.275  -0.920
  261   3HE   MET  41           HE3      MET  41  -9.400   0.068  -0.842
  262    HA   PRO  42           HA       PRO  42  -7.316  -3.879  -7.644
  263   1HB   PRO  42           HB2      PRO  42  -6.959  -0.970  -8.083
  264   2HB   PRO  42           HB3      PRO  42  -7.862  -2.152  -9.035
  265   1HG   PRO  42           HG2      PRO  42  -9.120  -0.385  -7.475
  266   2HG   PRO  42           HG3      PRO  42  -9.723  -2.046  -7.651
  267   1HD   PRO  42           HD2      PRO  42  -8.219  -0.795  -5.381
  268   2HD   PRO  42           HD3      PRO  42  -9.513  -2.013  -5.339
  269    H    ASP  43           HN       ASP  43  -5.406  -4.278  -8.565
  270    HA   ASP  43           HA       ASP  43  -2.998  -4.055  -7.257
  271   1HB   ASP  43           HB2      ASP  43  -3.836  -5.278  -9.514
  272   2HB   ASP  43           HB3      ASP  43  -2.867  -3.995 -10.222
  273    H    SER  44           HN       SER  44  -4.401  -1.861  -9.614
  274    HA   SER  44           HA       SER  44  -2.165  -0.179  -9.953
  275   1HB   SER  44           HB2      SER  44  -4.333   1.429 -10.450
  276   2HB   SER  44           HB3      SER  44  -3.630   0.304 -11.615
  277    HG   SER  44           HG       SER  44  -5.771  -0.203 -11.522
  278    H    ILE  45           HN       ILE  45  -5.013   0.039  -7.843
  279    HA   ILE  45           HA       ILE  45  -4.257   2.492  -6.645
  280    HB   ILE  45           HB       ILE  45  -6.057   0.367  -5.474
  281   1HG1  ILE  45          HG12      ILE  45  -6.374   1.733  -7.866
  282   2HG1  ILE  45          HG13      ILE  45  -7.645   0.929  -6.956
  283   1HG2  ILE  45          HG21      ILE  45  -5.474   1.927  -3.782
  284   2HG2  ILE  45          HG22      ILE  45  -5.697   3.296  -4.872
  285   3HG2  ILE  45          HG23      ILE  45  -7.092   2.361  -4.336
  286   1HD1  ILE  45          HD11      ILE  45  -7.410   3.461  -5.805
  287   2HD1  ILE  45          HD12      ILE  45  -7.281   3.721  -7.546
  288   3HD1  ILE  45          HD13      ILE  45  -8.682   2.883  -6.878
  289    H    LEU  46           HN       LEU  46  -3.600  -0.884  -5.857
  290    HA   LEU  46           HA       LEU  46  -2.553  -0.465  -3.273
  291   1HB   LEU  46           HB2      LEU  46  -1.852  -2.563  -5.337
  292   2HB   LEU  46           HB3      LEU  46  -1.285  -2.594  -3.683
  293    HG   LEU  46           HG       LEU  46  -4.228  -2.596  -4.290
  294   1HD1  LEU  46          HD11      LEU  46  -2.358  -4.959  -4.224
  295   2HD1  LEU  46          HD12      LEU  46  -4.113  -5.075  -4.094
  296   3HD1  LEU  46          HD13      LEU  46  -3.378  -4.438  -5.566
  297   1HD2  LEU  46          HD21      LEU  46  -4.376  -3.654  -2.119
  298   2HD2  LEU  46          HD22      LEU  46  -2.617  -3.704  -1.993
  299   3HD2  LEU  46          HD23      LEU  46  -3.452  -2.150  -1.980
  300    H    LYS  47           HN       LYS  47  -1.188  -0.153  -6.483
  301    HA   LYS  47           HA       LYS  47   1.515   0.130  -5.625
  302   1HB   LYS  47           HB2      LYS  47   0.047   0.423  -8.192
  303   2HB   LYS  47           HB3      LYS  47   1.603   1.224  -8.062
  304   1HG   LYS  47           HG2      LYS  47   2.721  -0.829  -7.665
  305   2HG   LYS  47           HG3      LYS  47   1.201  -1.687  -7.446
  306   1HD   LYS  47           HD2      LYS  47   0.961  -0.554  -9.960
  307   2HD   LYS  47           HD3      LYS  47   2.649  -1.058  -9.888
  308   1HE   LYS  47           HE2      LYS  47   1.926  -3.310  -9.198
  309   2HE   LYS  47           HE3      LYS  47   0.244  -2.794  -9.337
  310   1HZ   LYS  47           HZ1      LYS  47   0.899  -2.200 -11.734
  311   2HZ   LYS  47           HZ2      LYS  47   0.656  -3.830 -11.348
  312   3HZ   LYS  47           HZ3      LYS  47   2.235  -3.215 -11.478
  313    H    LYS  48           HN       LYS  48  -0.936   2.512  -6.714
  314    HA   LYS  48           HA       LYS  48   0.782   4.738  -6.354
  315   1HB   LYS  48           HB2      LYS  48  -1.628   5.907  -6.080
  316   2HB   LYS  48           HB3      LYS  48  -0.942   5.469  -7.636
  317   1HG   LYS  48           HG2      LYS  48  -2.258   3.484  -7.741
  318   2HG   LYS  48           HG3      LYS  48  -2.786   3.687  -6.071
  319   1HD   LYS  48           HD2      LYS  48  -4.612   4.473  -7.223
  320   2HD   LYS  48           HD3      LYS  48  -3.713   5.966  -6.940
  321   1HE   LYS  48           HE2      LYS  48  -2.887   5.988  -9.157
  322   2HE   LYS  48           HE3      LYS  48  -3.421   4.334  -9.447
  323   1HZ   LYS  48           HZ1      LYS  48  -4.786   6.385 -10.318
  324   2HZ   LYS  48           HZ2      LYS  48  -5.443   6.340  -8.756
  325   3HZ   LYS  48           HZ3      LYS  48  -5.572   4.985  -9.766
  326    H    MET  49           HN       MET  49  -1.497   3.108  -4.242
  327    HA   MET  49           HA       MET  49  -1.314   5.032  -2.157
  328   1HB   MET  49           HB2      MET  49  -3.038   3.878  -1.325
  329   2HB   MET  49           HB3      MET  49  -2.911   2.805  -2.706
  330   1HG   MET  49           HG2      MET  49  -2.181   1.111  -1.461
  331   2HG   MET  49           HG3      MET  49  -1.061   2.136  -0.569
  332   1HE   MET  49           HE1      MET  49  -5.190   0.720   0.667
  333   2HE   MET  49           HE2      MET  49  -5.110   1.660  -0.824
  334   3HE   MET  49           HE3      MET  49  -4.177   0.175  -0.674
  335    H    ALA  50           HN       ALA  50   0.583   2.247  -3.068
  336    HA   ALA  50           HA       ALA  50   1.958   2.037  -0.548
  337   1HB   ALA  50           HB1      ALA  50   1.624   0.174  -2.269
  338   2HB   ALA  50           HB2      ALA  50   2.953   0.919  -3.153
  339   3HB   ALA  50           HB3      ALA  50   3.213   0.309  -1.518
  340    H    ALA  51           HN       ALA  51   2.401   3.756  -3.538
  341    HA   ALA  51           HA       ALA  51   5.147   4.445  -2.978
  342   1HB   ALA  51           HB1      ALA  51   3.933   4.134  -5.283
  343   2HB   ALA  51           HB2      ALA  51   3.558   5.844  -5.070
  344   3HB   ALA  51           HB3      ALA  51   5.236   5.307  -5.094
  345    H    ILE  52           HN       ILE  52   2.007   6.043  -2.704
  346    HA   ILE  52           HA       ILE  52   3.327   8.508  -1.828
  347    HB   ILE  52           HB       ILE  52   0.553   7.829  -2.722
  348   1HG1  ILE  52          HG12      ILE  52   1.245  10.207  -3.856
  349   2HG1  ILE  52          HG13      ILE  52   2.825   9.454  -3.661
  350   1HG2  ILE  52          HG21      ILE  52  -0.441   9.282  -1.388
  351   2HG2  ILE  52          HG22      ILE  52   1.101   9.641  -0.609
  352   3HG2  ILE  52          HG23      ILE  52   0.589  10.563  -2.027
  353   1HD1  ILE  52          HD11      ILE  52   0.992   7.549  -4.749
  354   2HD1  ILE  52          HD12      ILE  52   0.954   9.037  -5.704
  355   3HD1  ILE  52          HD13      ILE  52   2.478   8.200  -5.444
  356    H    LEU  53           HN       LEU  53   1.246   5.940  -0.672
  357    HA   LEU  53           HA       LEU  53   0.451   5.356   1.373
  358   1HB   LEU  53           HB2      LEU  53   3.059   6.679   1.998
  359   2HB   LEU  53           HB3      LEU  53   2.032   6.107   3.295
  360    HG   LEU  53           HG       LEU  53   3.039   4.361   1.053
  361   1HD1  LEU  53          HD11      LEU  53   4.063   4.063   3.807
  362   2HD1  LEU  53          HD12      LEU  53   4.862   3.786   2.262
  363   3HD1  LEU  53          HD13      LEU  53   4.667   5.430   2.875
  364   1HD2  LEU  53          HD21      LEU  53   1.973   3.461   3.705
  365   2HD2  LEU  53          HD22      LEU  53   0.892   3.791   2.352
  366   3HD2  LEU  53          HD23      LEU  53   2.141   2.554   2.203
  367    HA   PRO  54           HA       PRO  54  -1.413   9.540   2.115
  368   1HB   PRO  54           HB2      PRO  54  -3.944   8.379   1.335
  369   2HB   PRO  54           HB3      PRO  54  -3.037   9.677   0.552
  370   1HG   PRO  54           HG2      PRO  54  -3.418   7.189  -0.533
  371   2HG   PRO  54           HG3      PRO  54  -2.045   8.241  -0.923
  372   1HD   PRO  54           HD2      PRO  54  -2.192   5.904   0.947
  373   2HD   PRO  54           HD3      PRO  54  -0.901   6.370  -0.184
  374    H    MET  55           HN       MET  55  -1.509   9.683   4.281
  375    HA   MET  55           HA       MET  55  -2.787   7.662   5.898
  376   1HB   MET  55           HB2      MET  55  -1.148  10.064   6.341
  377   2HB   MET  55           HB3      MET  55  -2.321   9.731   7.604
  378   1HG   MET  55           HG2      MET  55  -1.221   7.271   7.248
  379   2HG   MET  55           HG3      MET  55   0.146   8.322   6.888
  380   1HE   MET  55           HE1      MET  55  -2.883   8.346   9.338
  381   2HE   MET  55           HE2      MET  55  -2.116   6.784   9.614
  382   3HE   MET  55           HE3      MET  55  -2.099   8.012  10.881
  383    H    ASN  56           HN       ASN  56  -3.642  10.736   4.539
  384    HA   ASN  56           HA       ASN  56  -6.287  10.507   5.820
  385   1HB   ASN  56           HB2      ASN  56  -4.545  12.523   6.389
  386   2HB   ASN  56           HB3      ASN  56  -5.459  13.228   5.063
  387   1HD2  ASN  56          HD21      ASN  56  -5.396  13.996   7.857
  388   2HD2  ASN  56          HD22      ASN  56  -7.028  13.882   8.437
  389    H    ASP  57           HN       ASP  57  -8.003  11.740   4.572
  390    HA   ASP  57           HA       ASP  57  -8.063  10.769   1.925
  391   1HB   ASP  57           HB2      ASP  57 -10.102  11.079   3.194
  392   2HB   ASP  57           HB3      ASP  57  -9.815  12.811   3.288
  393    H    SER  58           HN       SER  58  -6.920  13.751   3.243
  394    HA   SER  58           HA       SER  58  -7.098  15.416   0.987
  395   1HB   SER  58           HB2      SER  58  -4.702  15.761   2.656
  396   2HB   SER  58           HB3      SER  58  -6.007  16.899   2.307
  397    HG   SER  58           HG       SER  58  -7.275  15.868   3.882
  398    H    ALA  59           HN       ALA  59  -4.750  12.987   1.978
  399    HA   ALA  59           HA       ALA  59  -2.979  13.515  -0.250
  400   1HB   ALA  59           HB1      ALA  59  -1.746  12.759   1.534
  401   2HB   ALA  59           HB2      ALA  59  -2.983  11.610   2.045
  402   3HB   ALA  59           HB3      ALA  59  -1.982  11.258   0.638
  403    H    PHE  60           HN       PHE  60  -5.608  11.452   0.572
  404    HA   PHE  60           HA       PHE  60  -5.284   9.446  -1.382
  405   1HB   PHE  60           HB2      PHE  60  -7.551  10.432   0.286
  406   2HB   PHE  60           HB3      PHE  60  -7.943   9.445  -1.123
  407    HD1  PHE  60           HD1      PHE  60  -8.104   8.942   2.024
  408    HD2  PHE  60           HD2      PHE  60  -5.530   7.709  -1.121
  409    HE1  PHE  60           HE1      PHE  60  -7.531   6.905   3.289
  410    HE2  PHE  60           HE2      PHE  60  -4.956   5.683   0.127
  411    HZ   PHE  60           HZ       PHE  60  -5.960   5.277   2.325
  412    H    ALA  61           HN       ALA  61  -6.343  12.711  -1.534
  413    HA   ALA  61           HA       ALA  61  -7.874  12.703  -3.872
  414   1HB   ALA  61           HB1      ALA  61  -7.899  14.649  -2.543
  415   2HB   ALA  61           HB2      ALA  61  -6.144  14.811  -2.608
  416   3HB   ALA  61           HB3      ALA  61  -7.113  15.100  -4.055
  417    H    THR  62           HN       THR  62  -4.423  12.383  -3.409
  418    HA   THR  62           HA       THR  62  -3.933  12.913  -6.235
  419    HB   THR  62           HB       THR  62  -1.522  12.270  -5.463
  420    HG1  THR  62           HG1      THR  62  -2.625  11.933  -3.211
  421   1HG2  THR  62          HG21      THR  62  -3.006  14.834  -5.040
  422   2HG2  THR  62          HG22      THR  62  -1.920  14.391  -6.355
  423   3HG2  THR  62          HG23      THR  62  -1.271  14.720  -4.749
  424    H    LEU  63           HN       LEU  63  -5.187  10.378  -4.773
  425    HA   LEU  63           HA       LEU  63  -3.502   8.279  -5.900
  426   1HB   LEU  63           HB2      LEU  63  -5.983   8.335  -4.228
  427   2HB   LEU  63           HB3      LEU  63  -5.556   6.870  -5.081
  428    HG   LEU  63           HG       LEU  63  -4.312   8.112  -2.696
  429   1HD1  LEU  63          HD11      LEU  63  -4.848   6.138  -1.804
  430   2HD1  LEU  63          HD12      LEU  63  -5.668   5.754  -3.316
  431   3HD1  LEU  63          HD13      LEU  63  -3.986   5.270  -3.074
  432   1HD2  LEU  63          HD21      LEU  63  -2.723   6.416  -4.612
  433   2HD2  LEU  63          HD22      LEU  63  -2.459   8.138  -4.312
  434   3HD2  LEU  63          HD23      LEU  63  -2.217   6.969  -3.015
  435    H    GLY  64           HN       GLY  64  -5.158  10.348  -7.435
  436   1HA   GLY  64           HA1      GLY  64  -5.892  10.130  -9.660
  437   2HA   GLY  64           HA2      GLY  64  -6.232   8.428  -9.351
  438    H    THR  65           HN       THR  65  -8.268   7.836  -8.817
  439    HA   THR  65           HA       THR  65 -10.120   9.845  -7.799
  440    HB   THR  65           HB       THR  65 -11.526   8.406  -9.791
  441    HG1  THR  65           HG1      THR  65  -9.538  10.023 -10.997
  442   1HG2  THR  65          HG21      THR  65 -11.166  11.145 -10.491
  443   2HG2  THR  65          HG22      THR  65 -11.317  11.024  -8.738
  444   3HG2  THR  65          HG23      THR  65 -12.579  10.366  -9.777
  445    H    VAL  66           HN       VAL  66  -9.818   8.368  -5.915
  446    HA   VAL  66           HA       VAL  66 -10.989   5.730  -6.209
  447    HB   VAL  66           HB       VAL  66 -10.606   5.365  -3.864
  448   1HG1  VAL  66          HG11      VAL  66  -8.281   5.324  -3.852
  449   2HG1  VAL  66          HG12      VAL  66  -8.708   5.316  -5.563
  450   3HG1  VAL  66          HG13      VAL  66  -8.154   6.808  -4.801
  451   1HG2  VAL  66          HG21      VAL  66 -10.742   7.007  -2.379
  452   2HG2  VAL  66          HG22      VAL  66  -9.187   7.615  -2.961
  453   3HG2  VAL  66          HG23      VAL  66 -10.689   8.218  -3.664
  454    H    GLU  67           HN       GLU  67 -13.026   5.205  -5.952
  455    HA   GLU  67           HA       GLU  67 -15.002   7.233  -5.536
  456   1HB   GLU  67           HB2      GLU  67 -14.930   4.418  -6.343
  457   2HB   GLU  67           HB3      GLU  67 -16.316   4.798  -5.335
  458   1HG   GLU  67           HG2      GLU  67 -17.342   5.774  -7.024
  459   2HG   GLU  67           HG3      GLU  67 -15.952   6.810  -7.351
  460    H    ASP  68           HN       ASP  68 -16.751   7.023  -3.880
  461    HA   ASP  68           HA       ASP  68 -15.680   6.973  -1.286
  462   1HB   ASP  68           HB2      ASP  68 -17.857   8.079  -2.079
  463   2HB   ASP  68           HB3      ASP  68 -18.606   6.502  -1.849
  464    H    LYS  69           HN       LYS  69 -17.189   4.467  -3.218
  465    HA   LYS  69           HA       LYS  69 -17.567   2.564  -1.165
  466   1HB   LYS  69           HB2      LYS  69 -17.806   0.939  -2.933
  467   2HB   LYS  69           HB3      LYS  69 -18.599   2.429  -3.421
  468   1HG   LYS  69           HG2      LYS  69 -16.019   2.663  -4.422
  469   2HG   LYS  69           HG3      LYS  69 -16.446   0.971  -4.690
  470   1HD   LYS  69           HD2      LYS  69 -18.725   2.477  -5.359
  471   2HD   LYS  69           HD3      LYS  69 -17.353   3.313  -6.084
  472   1HE   LYS  69           HE2      LYS  69 -16.649   1.026  -6.968
  473   2HE   LYS  69           HE3      LYS  69 -18.266   0.484  -6.522
  474   1HZ   LYS  69           HZ1      LYS  69 -18.285   1.127  -8.806
  475   2HZ   LYS  69           HZ2      LYS  69 -17.562   2.625  -8.466
  476   3HZ   LYS  69           HZ3      LYS  69 -19.144   2.304  -7.942
  477    H    TYR  70           HN       TYR  70 -14.754   3.560  -2.957
  478    HA   TYR  70           HA       TYR  70 -13.130   1.301  -2.186
  479   1HB   TYR  70           HB2      TYR  70 -12.608   3.915  -3.587
  480   2HB   TYR  70           HB3      TYR  70 -11.259   2.937  -3.016
  481    HD1  TYR  70           HD1      TYR  70 -13.784   3.353  -5.564
  482    HD2  TYR  70           HD2      TYR  70 -10.966   0.601  -3.927
  483    HE1  TYR  70           HE1      TYR  70 -13.900   2.011  -7.620
  484    HE2  TYR  70           HE2      TYR  70 -11.086  -0.741  -5.985
  485    HH   TYR  70           HH       TYR  70 -12.348  -1.116  -7.890
  486    H    ARG  71           HN       ARG  71 -13.847   4.507  -1.108
  487    HA   ARG  71           HA       ARG  71 -11.802   4.738   0.848
  488   1HB   ARG  71           HB2      ARG  71 -14.239   6.213   0.073
  489   2HB   ARG  71           HB3      ARG  71 -13.749   6.374   1.757
  490   1HG   ARG  71           HG2      ARG  71 -11.372   6.711   0.529
  491   2HG   ARG  71           HG3      ARG  71 -12.472   7.391  -0.678
  492   1HD   ARG  71           HD2      ARG  71 -12.281   8.134   2.224
  493   2HD   ARG  71           HD3      ARG  71 -11.779   9.126   0.850
  494    HE   ARG  71           HE       ARG  71 -14.569   8.414   1.520
  495   1HH1  ARG  71          HH12      ARG  71 -12.227  10.624   0.123
  496   2HH1  ARG  71          HH11      ARG  71 -13.445  11.680  -0.540
  497   1HH2  ARG  71          HH22      ARG  71 -16.160   9.780   0.601
  498   2HH2  ARG  71          HH21      ARG  71 -15.662  11.210  -0.253
  499    H    ARG  72           HN       ARG  72 -14.998   3.339   0.762
  500    HA   ARG  72           HA       ARG  72 -15.692   3.101   3.420
  501   1HB   ARG  72           HB2      ARG  72 -16.070   1.056   1.244
  502   2HB   ARG  72           HB3      ARG  72 -16.948   1.102   2.767
  503   1HG   ARG  72           HG2      ARG  72 -16.967   3.448   0.931
  504   2HG   ARG  72           HG3      ARG  72 -18.017   2.068   0.671
  505   1HD   ARG  72           HD2      ARG  72 -19.139   2.377   2.691
  506   2HD   ARG  72           HD3      ARG  72 -17.879   3.448   3.310
  507    HE   ARG  72           HE       ARG  72 -18.661   5.022   1.491
  508   1HH1  ARG  72          HH12      ARG  72 -20.803   2.738   3.051
  509   2HH1  ARG  72          HH11      ARG  72 -22.233   3.644   2.690
  510   1HH2  ARG  72          HH22      ARG  72 -20.518   6.234   1.066
  511   2HH2  ARG  72          HH21      ARG  72 -22.071   5.661   1.605
  512    H    ARG  73           HN       ARG  73 -14.100   0.505   1.549
  513    HA   ARG  73           HA       ARG  73 -13.278  -0.769   3.994
  514   1HB   ARG  73           HB2      ARG  73 -12.676  -2.612   2.727
  515   2HB   ARG  73           HB3      ARG  73 -13.983  -1.914   1.787
  516   1HG   ARG  73           HG2      ARG  73 -11.134  -1.241   1.180
  517   2HG   ARG  73           HG3      ARG  73 -11.881  -2.721   0.564
  518   1HD   ARG  73           HD2      ARG  73 -13.787  -0.941  -0.056
  519   2HD   ARG  73           HD3      ARG  73 -12.363   0.102  -0.134
  520    HE   ARG  73           HE       ARG  73 -11.474  -1.788  -1.673
  521   1HH1  ARG  73          HH12      ARG  73 -14.816  -0.744  -1.488
  522   2HH1  ARG  73          HH11      ARG  73 -15.210  -1.258  -3.099
  523   1HH2  ARG  73          HH22      ARG  73 -12.005  -2.518  -3.796
  524   2HH2  ARG  73          HH21      ARG  73 -13.612  -2.266  -4.411
  525    H    PHE  74           HN       PHE  74 -12.112   1.793   2.331
  526    HA   PHE  74           HA       PHE  74  -9.326   1.354   2.197
  527   1HB   PHE  74           HB2      PHE  74 -11.059   3.520   1.738
  528   2HB   PHE  74           HB3      PHE  74  -9.903   4.083   2.941
  529    HD1  PHE  74           HD1      PHE  74 -10.326   4.882  -0.056
  530    HD2  PHE  74           HD2      PHE  74  -7.587   2.341   1.973
  531    HE1  PHE  74           HE1      PHE  74  -8.659   5.285  -1.820
  532    HE2  PHE  74           HE2      PHE  74  -5.914   2.733   0.213
  533    HZ   PHE  74           HZ       PHE  74  -6.444   4.207  -1.680
  534    H    LYS  75           HN       LYS  75 -11.438   2.338   4.789
  535    HA   LYS  75           HA       LYS  75  -9.535   3.147   6.685
  536   1HB   LYS  75           HB2      LYS  75 -11.322   2.625   8.358
  537   2HB   LYS  75           HB3      LYS  75 -11.873   3.633   7.024
  538   1HG   LYS  75           HG2      LYS  75 -12.710   1.494   5.935
  539   2HG   LYS  75           HG3      LYS  75 -12.412   0.721   7.503
  540   1HD   LYS  75           HD2      LYS  75 -13.926   3.244   7.586
  541   2HD   LYS  75           HD3      LYS  75 -14.751   1.877   6.839
  542   1HE   LYS  75           HE2      LYS  75 -13.759   0.694   9.054
  543   2HE   LYS  75           HE3      LYS  75 -13.981   2.339   9.651
  544   1HZ   LYS  75           HZ1      LYS  75 -16.131   0.904   8.218
  545   2HZ   LYS  75           HZ2      LYS  75 -16.257   2.248   9.250
  546   3HZ   LYS  75           HZ3      LYS  75 -15.901   0.721   9.890
  547    H    TYR  76           HN       TYR  76 -10.454  -0.042   5.607
  548    HA   TYR  76           HA       TYR  76  -9.423  -1.408   7.918
  549   1HB   TYR  76           HB2      TYR  76 -10.132  -2.480   5.184
  550   2HB   TYR  76           HB3      TYR  76  -9.798  -3.457   6.607
  551    HD1  TYR  76           HD1      TYR  76 -12.371  -2.984   4.698
  552    HD2  TYR  76           HD2      TYR  76 -11.280  -1.919   8.663
  553    HE1  TYR  76           HE1      TYR  76 -14.749  -2.887   5.307
  554    HE2  TYR  76           HE2      TYR  76 -13.655  -1.818   9.297
  555    HH   TYR  76           HH       TYR  76 -15.868  -1.455   8.139
  556    H    PHE  77           HN       PHE  77  -8.023   0.151   5.337
  557    HA   PHE  77           HA       PHE  77  -5.621  -1.547   5.335
  558   1HB   PHE  77           HB2      PHE  77  -6.935   0.197   3.378
  559   2HB   PHE  77           HB3      PHE  77  -5.205   0.478   3.492
  560    HD1  PHE  77           HD1      PHE  77  -7.117  -0.738   1.284
  561    HD2  PHE  77           HD2      PHE  77  -4.326  -2.351   4.056
  562    HE1  PHE  77           HE1      PHE  77  -6.728  -2.634  -0.223
  563    HE2  PHE  77           HE2      PHE  77  -3.944  -4.260   2.560
  564    HZ   PHE  77           HZ       PHE  77  -5.137  -4.398   0.414
  565    H    LYS  78           HN       LYS  78  -6.916   1.294   6.623
  566    HA   LYS  78           HA       LYS  78  -4.850   3.107   6.657
  567   1HB   LYS  78           HB2      LYS  78  -7.075   2.538   8.579
  568   2HB   LYS  78           HB3      LYS  78  -5.880   3.773   8.954
  569   1HG   LYS  78           HG2      LYS  78  -7.225   3.828   6.299
  570   2HG   LYS  78           HG3      LYS  78  -8.115   4.371   7.721
  571   1HD   LYS  78           HD2      LYS  78  -6.010   5.803   8.191
  572   2HD   LYS  78           HD3      LYS  78  -5.631   5.503   6.493
  573   1HE   LYS  78           HE2      LYS  78  -7.173   6.952   5.790
  574   2HE   LYS  78           HE3      LYS  78  -8.396   6.291   6.871
  575   1HZ   LYS  78           HZ1      LYS  78  -8.078   8.508   7.535
  576   2HZ   LYS  78           HZ2      LYS  78  -6.386   8.379   7.471
  577   3HZ   LYS  78           HZ3      LYS  78  -7.252   7.572   8.685
  578    H    ALA  79           HN       ALA  79  -5.254   0.265   8.696
  579    HA   ALA  79           HA       ALA  79  -3.277   0.909  10.621
  580   1HB   ALA  79           HB1      ALA  79  -4.697  -0.793  11.283
  581   2HB   ALA  79           HB2      ALA  79  -4.579  -1.632   9.736
  582   3HB   ALA  79           HB3      ALA  79  -3.225  -1.671  10.868
  583    H    THR  80           HN       THR  80  -3.139  -0.545   7.456
  584    HA   THR  80           HA       THR  80  -0.362  -1.305   7.695
  585    HB   THR  80           HB       THR  80  -1.465  -1.283   5.005
  586    HG1  THR  80           HG1      THR  80  -2.838  -3.144   6.463
  587   1HG2  THR  80          HG21      THR  80   0.251  -2.862   6.577
  588   2HG2  THR  80          HG22      THR  80  -0.193  -3.114   4.889
  589   3HG2  THR  80          HG23      THR  80  -1.118  -3.894   6.172
  590    H    ILE  81           HN       ILE  81  -2.290   1.140   5.973
  591    HA   ILE  81           HA       ILE  81  -0.209   2.293   4.494
  592    HB   ILE  81           HB       ILE  81  -2.546   3.814   5.656
  593   1HG1  ILE  81          HG12      ILE  81  -2.497   2.368   3.005
  594   2HG1  ILE  81          HG13      ILE  81  -3.226   1.695   4.458
  595   1HG2  ILE  81          HG21      ILE  81  -0.613   4.297   3.445
  596   2HG2  ILE  81          HG22      ILE  81  -2.256   4.921   3.300
  597   3HG2  ILE  81          HG23      ILE  81  -1.243   5.413   4.657
  598   1HD1  ILE  81          HD11      ILE  81  -5.027   3.030   4.337
  599   2HD1  ILE  81          HD12      ILE  81  -4.109   4.401   3.714
  600   3HD1  ILE  81          HD13      ILE  81  -4.585   3.087   2.632
  601    H    ALA  82           HN       ALA  82  -1.465   3.102   7.712
  602    HA   ALA  82           HA       ALA  82   0.297   5.251   8.217
  603   1HB   ALA  82           HB1      ALA  82  -0.915   3.469  10.312
  604   2HB   ALA  82           HB2      ALA  82  -0.459   5.166  10.456
  605   3HB   ALA  82           HB3      ALA  82  -1.833   4.706   9.454
  606    H    ASP  83           HN       ASP  83   0.472   1.814   9.039
  607    HA   ASP  83           HA       ASP  83   2.854   1.885  10.523
  608   1HB   ASP  83           HB2      ASP  83   1.514  -0.081  10.668
  609   2HB   ASP  83           HB3      ASP  83   1.518  -0.308   8.922
  610    H    LEU  84           HN       LEU  84   2.372   0.991   7.102
  611    HA   LEU  84           HA       LEU  84   5.117   0.772   6.541
  612   1HB   LEU  84           HB2      LEU  84   2.752   1.260   4.754
  613   2HB   LEU  84           HB3      LEU  84   4.377   1.011   4.143
  614    HG   LEU  84           HG       LEU  84   3.238  -1.023   5.992
  615   1HD1  LEU  84          HD11      LEU  84   1.557  -0.380   4.119
  616   2HD1  LEU  84          HD12      LEU  84   2.686  -1.236   3.065
  617   3HD1  LEU  84          HD13      LEU  84   1.932  -2.081   4.413
  618   1HD2  LEU  84          HD21      LEU  84   4.544  -2.102   3.740
  619   2HD2  LEU  84          HD22      LEU  84   5.513  -0.742   4.309
  620   3HD2  LEU  84          HD23      LEU  84   5.104  -2.056   5.411
  621    H    SER  85           HN       SER  85   3.010   3.542   6.683
  622    HA   SER  85           HA       SER  85   4.713   5.295   5.221
  623   1HB   SER  85           HB2      SER  85   2.170   5.463   6.054
  624   2HB   SER  85           HB3      SER  85   2.951   6.454   7.282
  625    HG   SER  85           HG       SER  85   2.651   6.879   4.535
  626    H    LYS  86           HN       LYS  86   4.581   4.111   8.474
  627    HA   LYS  86           HA       LYS  86   6.394   6.143   9.495
  628   1HB   LYS  86           HB2      LYS  86   4.553   4.332  10.644
  629   2HB   LYS  86           HB3      LYS  86   6.146   3.870  11.233
  630   1HG   LYS  86           HG2      LYS  86   4.986   5.441  12.717
  631   2HG   LYS  86           HG3      LYS  86   6.510   6.086  12.103
  632   1HD   LYS  86           HD2      LYS  86   4.674   6.917  10.230
  633   2HD   LYS  86           HD3      LYS  86   3.776   7.049  11.745
  634   1HE   LYS  86           HE2      LYS  86   6.044   8.179  12.552
  635   2HE   LYS  86           HE3      LYS  86   6.203   8.516  10.830
  636   1HZ   LYS  86           HZ1      LYS  86   3.594   9.162  11.580
  637   2HZ   LYS  86           HZ2      LYS  86   4.829  10.214  11.088
  638   3HZ   LYS  86           HZ3      LYS  86   4.631   9.853  12.734
  639    H    LYS  87           HN       LYS  87   6.668   3.450   7.646
  640    HA   LYS  87           HA       LYS  87   9.310   2.713   8.687
  641   1HB   LYS  87           HB2      LYS  87   7.736   1.208   6.598
  642   2HB   LYS  87           HB3      LYS  87   9.112   0.638   7.529
  643   1HG   LYS  87           HG2      LYS  87   7.083   1.354   9.371
  644   2HG   LYS  87           HG3      LYS  87   6.342   0.396   8.091
  645   1HD   LYS  87           HD2      LYS  87   7.028  -1.214   9.589
  646   2HD   LYS  87           HD3      LYS  87   8.361  -1.177   8.433
  647   1HE   LYS  87           HE2      LYS  87   8.994   0.767  10.316
  648   2HE   LYS  87           HE3      LYS  87   8.366  -0.588  11.262
  649   1HZ   LYS  87           HZ1      LYS  87   9.959  -2.040  10.270
  650   2HZ   LYS  87           HZ2      LYS  87  10.792  -0.689  10.851
  651   3HZ   LYS  87           HZ3      LYS  87  10.475  -0.846   9.183
  652    H    ARG  88           HN       ARG  88   7.576   3.868   5.870
  653    HA   ARG  88           HA       ARG  88   9.720   3.674   4.022
  654   1HB   ARG  88           HB2      ARG  88   7.088   4.082   3.761
  655   2HB   ARG  88           HB3      ARG  88   7.639   5.744   3.605
  656   1HG   ARG  88           HG2      ARG  88   9.322   4.744   1.897
  657   2HG   ARG  88           HG3      ARG  88   8.172   3.406   1.841
  658   1HD   ARG  88           HD2      ARG  88   7.966   5.435   0.194
  659   2HD   ARG  88           HD3      ARG  88   6.536   4.675   0.884
  660    HE   ARG  88           HE       ARG  88   6.543   6.522   2.535
  661   1HH1  ARG  88          HH12      ARG  88   8.080   6.968  -0.586
  662   2HH1  ARG  88          HH11      ARG  88   7.940   8.698  -0.545
  663   1HH2  ARG  88          HH22      ARG  88   6.303   8.752   2.561
  664   2HH2  ARG  88          HH21      ARG  88   6.936   9.711   1.259
  665    H    SER  89           HN       SER  89   9.549   5.610   6.684
  666    HA   SER  89           HA       SER  89  10.381   8.128   5.724
  667   1HB   SER  89           HB2      SER  89  11.550   7.452   8.293
  668   2HB   SER  89           HB3      SER  89  10.319   8.654   7.911
  669    HG   SER  89           HG       SER  89   9.664   6.891   9.357
  670    H    SER  90           HN       SER  90  12.138   5.166   6.495
  671    HA   SER  90           HA       SER  90  14.447   6.207   5.059
  672   1HB   SER  90           HB2      SER  90  15.890   5.171   6.999
  673   2HB   SER  90           HB3      SER  90  15.254   6.809   7.157
  674    HG   SER  90           HG       SER  90  14.914   4.883   8.847
  675    H    GLU  91           HN       GLU  91  14.005   3.434   7.227
  676    HA   GLU  91           HA       GLU  91  13.674   1.579   5.069
  677   1HB   GLU  91           HB2      GLU  91  15.716   0.374   5.308
  678   2HB   GLU  91           HB3      GLU  91  16.170   2.068   5.162
  679   1HG   GLU  91           HG2      GLU  91  16.450   2.215   7.571
  680   2HG   GLU  91           HG3      GLU  91  15.961   0.530   7.736
  Start of MODEL   11
    1    H    GLU  11           HN       GLU  11  18.594  -0.841  -0.069
    2    HA   GLU  11           HA       GLU  11  16.458  -0.997   0.660
    3   1HB   GLU  11           HB2      GLU  11  17.818   0.306   2.679
    4   2HB   GLU  11           HB3      GLU  11  16.441   1.363   2.404
    5   1HG   GLU  11           HG2      GLU  11  16.069  -0.346   4.149
    6   2HG   GLU  11           HG3      GLU  11  14.904  -0.418   2.827
    7    H    LEU  12           HN       LEU  12  17.202   0.679  -1.582
    8    HA   LEU  12           HA       LEU  12  15.560   2.993  -1.674
    9   1HB   LEU  12           HB2      LEU  12  16.920   1.345  -3.786
   10   2HB   LEU  12           HB3      LEU  12  15.972   2.774  -4.166
   11    HG   LEU  12           HG       LEU  12  18.022   3.215  -2.102
   12   1HD1  LEU  12          HD11      LEU  12  19.475   1.845  -3.263
   13   2HD1  LEU  12          HD12      LEU  12  18.745   2.219  -4.824
   14   3HD1  LEU  12          HD13      LEU  12  19.758   3.414  -4.021
   15   1HD2  LEU  12          HD21      LEU  12  16.501   4.848  -3.473
   16   2HD2  LEU  12          HD22      LEU  12  18.153   5.298  -3.059
   17   3HD2  LEU  12          HD23      LEU  12  17.783   4.697  -4.678
   18    H    ASN  13           HN       ASN  13  15.094  -0.380  -2.584
   19    HA   ASN  13           HA       ASN  13  12.505   0.191  -3.779
   20   1HB   ASN  13           HB2      ASN  13  12.441  -2.165  -4.391
   21   2HB   ASN  13           HB3      ASN  13  14.005  -1.490  -4.827
   22   1HD2  ASN  13          HD21      ASN  13  13.143  -4.257  -4.298
   23   2HD2  ASN  13          HD22      ASN  13  14.221  -4.848  -3.074
   24    H    ASN  14           HN       ASN  14  12.711   0.861  -1.060
   25    HA   ASN  14           HA       ASN  14  11.669  -1.099   0.686
   26   1HB   ASN  14           HB2      ASN  14  12.691   1.342   1.056
   27   2HB   ASN  14           HB3      ASN  14  10.983   1.764   1.119
   28   1HD2  ASN  14          HD21      ASN  14  13.478   1.151   3.041
   29   2HD2  ASN  14          HD22      ASN  14  12.691   0.395   4.383
   30    H    LEU  15           HN       LEU  15  10.259   0.968  -1.671
   31    HA   LEU  15           HA       LEU  15   7.591   1.018  -0.841
   32   1HB   LEU  15           HB2      LEU  15   8.965   2.169  -2.837
   33   2HB   LEU  15           HB3      LEU  15   8.157   0.906  -3.741
   34    HG   LEU  15           HG       LEU  15   6.396   2.448  -1.961
   35   1HD1  LEU  15          HD11      LEU  15   6.494   4.485  -2.977
   36   2HD1  LEU  15          HD12      LEU  15   8.198   4.032  -3.053
   37   3HD1  LEU  15          HD13      LEU  15   7.169   3.833  -4.470
   38   1HD2  LEU  15          HD21      LEU  15   6.224   1.784  -4.898
   39   2HD2  LEU  15          HD22      LEU  15   5.658   0.730  -3.601
   40   3HD2  LEU  15          HD23      LEU  15   4.913   2.310  -3.841
   41    H    ARG  16           HN       ARG  16   9.445  -1.478  -2.440
   42    HA   ARG  16           HA       ARG  16   7.301  -2.968  -3.504
   43   1HB   ARG  16           HB2      ARG  16  10.001  -3.183  -3.662
   44   2HB   ARG  16           HB3      ARG  16   9.627  -4.509  -2.573
   45   1HG   ARG  16           HG2      ARG  16   7.730  -4.629  -4.619
   46   2HG   ARG  16           HG3      ARG  16   9.280  -4.339  -5.403
   47   1HD   ARG  16           HD2      ARG  16   9.560  -6.550  -5.255
   48   2HD   ARG  16           HD3      ARG  16   9.918  -6.260  -3.553
   49    HE   ARG  16           HE       ARG  16   8.012  -7.372  -3.041
   50   1HH1  ARG  16          HH12      ARG  16   7.707  -6.241  -6.351
   51   2HH1  ARG  16          HH11      ARG  16   6.178  -7.010  -6.603
   52   1HH2  ARG  16          HH22      ARG  16   6.084  -8.455  -3.409
   53   2HH2  ARG  16          HH21      ARG  16   5.268  -8.318  -4.942
   54    H    MET  17           HN       MET  17   8.779  -2.859  -0.349
   55    HA   MET  17           HA       MET  17   7.486  -5.149   0.738
   56   1HB   MET  17           HB2      MET  17   9.544  -3.886   1.622
   57   2HB   MET  17           HB3      MET  17   8.398  -2.755   2.325
   58   1HG   MET  17           HG2      MET  17   7.378  -5.047   3.242
   59   2HG   MET  17           HG3      MET  17   9.062  -5.528   3.081
   60   1HE   MET  17           HE1      MET  17   8.583  -5.381   6.579
   61   2HE   MET  17           HE2      MET  17   7.199  -4.291   6.503
   62   3HE   MET  17           HE3      MET  17   7.319  -5.644   5.377
   63    H    THR  18           HN       THR  18   6.700  -1.743   0.477
   64    HA   THR  18           HA       THR  18   4.435  -1.651   2.169
   65    HB   THR  18           HB       THR  18   4.682  -0.035  -0.369
   66    HG1  THR  18           HG1      THR  18   6.329   0.035   1.940
   67   1HG2  THR  18          HG21      THR  18   3.561   1.649   0.831
   68   2HG2  THR  18          HG22      THR  18   3.908   0.897   2.390
   69   3HG2  THR  18          HG23      THR  18   2.737   0.163   1.294
   70    H    TYR  19           HN       TYR  19   4.811  -2.308  -1.283
   71    HA   TYR  19           HA       TYR  19   2.080  -2.697  -1.855
   72   1HB   TYR  19           HB2      TYR  19   3.755  -2.322  -3.620
   73   2HB   TYR  19           HB3      TYR  19   4.508  -3.869  -3.234
   74    HD1  TYR  19           HD1      TYR  19   1.634  -2.230  -4.806
   75    HD2  TYR  19           HD2      TYR  19   3.462  -5.973  -3.892
   76    HE1  TYR  19           HE1      TYR  19   0.162  -3.340  -6.425
   77    HE2  TYR  19           HE2      TYR  19   1.982  -7.085  -5.516
   78    HH   TYR  19           HH       TYR  19  -0.046  -6.797  -6.667
   79    H    GLU  20           HN       GLU  20   4.640  -4.868  -0.767
   80    HA   GLU  20           HA       GLU  20   3.232  -7.281  -1.082
   81   1HB   GLU  20           HB2      GLU  20   5.728  -6.415   0.040
   82   2HB   GLU  20           HB3      GLU  20   4.969  -7.577   1.122
   83   1HG   GLU  20           HG2      GLU  20   5.103  -9.279  -0.411
   84   2HG   GLU  20           HG3      GLU  20   5.084  -8.170  -1.779
   85    H    ARG  21           HN       ARG  21   3.603  -5.168   1.766
   86    HA   ARG  21           HA       ARG  21   2.073  -6.718   3.547
   87   1HB   ARG  21           HB2      ARG  21   3.557  -4.669   4.022
   88   2HB   ARG  21           HB3      ARG  21   2.154  -3.709   3.591
   89   1HG   ARG  21           HG2      ARG  21   1.330  -3.936   5.623
   90   2HG   ARG  21           HG3      ARG  21   1.377  -5.695   5.483
   91   1HD   ARG  21           HD2      ARG  21   4.014  -5.041   5.900
   92   2HD   ARG  21           HD3      ARG  21   3.167  -3.868   6.905
   93    HE   ARG  21           HE       ARG  21   2.493  -6.710   7.144
   94   1HH1  ARG  21          HH12      ARG  21   3.756  -3.757   8.566
   95   2HH1  ARG  21          HH11      ARG  21   3.890  -4.439  10.160
   96   1HH2  ARG  21          HH22      ARG  21   2.695  -7.619   9.237
   97   2HH2  ARG  21          HH21      ARG  21   3.276  -6.632  10.551
   98    H    LEU  22           HN       LEU  22   1.165  -4.436   1.070
   99    HA   LEU  22           HA       LEU  22  -1.600  -4.212   1.852
  100   1HB   LEU  22           HB2      LEU  22   0.073  -3.398  -0.483
  101   2HB   LEU  22           HB3      LEU  22  -1.665  -3.427  -0.670
  102    HG   LEU  22           HG       LEU  22  -0.501  -1.941   1.637
  103   1HD1  LEU  22          HD11      LEU  22   0.808  -0.807   0.188
  104   2HD1  LEU  22          HD12      LEU  22  -0.134  -1.299  -1.220
  105   3HD1  LEU  22          HD13      LEU  22  -0.705   0.018  -0.199
  106   1HD2  LEU  22          HD21      LEU  22  -2.571  -0.599   0.247
  107   2HD2  LEU  22          HD22      LEU  22  -3.043  -2.299   0.359
  108   3HD2  LEU  22          HD23      LEU  22  -2.656  -1.387   1.822
  109    H    ARG  23           HN       ARG  23   0.254  -6.105  -0.497
  110    HA   ARG  23           HA       ARG  23  -1.998  -7.288  -1.762
  111   1HB   ARG  23           HB2      ARG  23   0.250  -7.157  -2.800
  112   2HB   ARG  23           HB3      ARG  23   0.855  -8.288  -1.600
  113   1HG   ARG  23           HG2      ARG  23   0.352  -9.927  -2.993
  114   2HG   ARG  23           HG3      ARG  23  -1.356  -9.541  -2.753
  115   1HD   ARG  23           HD2      ARG  23  -0.694  -7.662  -4.555
  116   2HD   ARG  23           HD3      ARG  23   0.445  -8.931  -5.007
  117    HE   ARG  23           HE       ARG  23  -1.669 -10.409  -4.984
  118   1HH1  ARG  23          HH12      ARG  23  -1.464  -7.097  -6.117
  119   2HH1  ARG  23          HH11      ARG  23  -2.870  -7.226  -7.129
  120   1HH2  ARG  23          HH22      ARG  23  -3.453 -10.611  -6.393
  121   2HH2  ARG  23          HH21      ARG  23  -3.982  -9.242  -7.329
  122    H    GLU  24           HN       GLU  24   0.046  -8.226   0.945
  123    HA   GLU  24           HA       GLU  24  -1.081 -10.826   1.231
  124   1HB   GLU  24           HB2      GLU  24   1.004  -9.275   2.394
  125   2HB   GLU  24           HB3      GLU  24  -0.033  -9.835   3.691
  126   1HG   GLU  24           HG2      GLU  24   1.230 -11.591   1.603
  127   2HG   GLU  24           HG3      GLU  24   1.831 -11.357   3.239
  128    H    LEU  25           HN       LEU  25  -1.744  -7.644   2.557
  129    HA   LEU  25           HA       LEU  25  -3.647  -8.551   4.489
  130   1HB   LEU  25           HB2      LEU  25  -2.272  -6.201   4.055
  131   2HB   LEU  25           HB3      LEU  25  -3.900  -5.778   3.571
  132    HG   LEU  25           HG       LEU  25  -2.768  -6.148   6.219
  133   1HD1  LEU  25          HD11      LEU  25  -5.008  -4.656   4.955
  134   2HD1  LEU  25          HD12      LEU  25  -4.986  -4.849   6.709
  135   3HD1  LEU  25          HD13      LEU  25  -3.634  -4.067   5.891
  136   1HD2  LEU  25          HD21      LEU  25  -4.908  -7.936   5.418
  137   2HD2  LEU  25          HD22      LEU  25  -3.919  -7.942   6.873
  138   3HD2  LEU  25          HD23      LEU  25  -5.365  -6.925   6.788
  139    H    SER  26           HN       SER  26  -3.774  -7.294   1.203
  140    HA   SER  26           HA       SER  26  -6.560  -6.959   0.990
  141   1HB   SER  26           HB2      SER  26  -4.217  -6.928  -0.751
  142   2HB   SER  26           HB3      SER  26  -5.633  -7.571  -1.566
  143    HG   SER  26           HG       SER  26  -5.278  -5.051  -0.361
  144    H    LEU  27           HN       LEU  27  -4.457  -9.726   0.490
  145    HA   LEU  27           HA       LEU  27  -6.517 -11.393  -0.612
  146   1HB   LEU  27           HB2      LEU  27  -3.670 -11.644   0.148
  147   2HB   LEU  27           HB3      LEU  27  -4.613 -13.112   0.311
  148    HG   LEU  27           HG       LEU  27  -5.221 -13.041  -2.038
  149   1HD1  LEU  27          HD11      LEU  27  -4.935 -10.390  -1.976
  150   2HD1  LEU  27          HD12      LEU  27  -3.368 -10.825  -2.658
  151   3HD1  LEU  27          HD13      LEU  27  -4.852 -11.329  -3.468
  152   1HD2  LEU  27          HD21      LEU  27  -2.409 -13.059  -1.159
  153   2HD2  LEU  27          HD22      LEU  27  -3.345 -14.289  -2.012
  154   3HD2  LEU  27          HD23      LEU  27  -2.678 -12.915  -2.895
  155    H    ASN  28           HN       ASN  28  -5.252 -10.618   2.524
  156    HA   ASN  28           HA       ASN  28  -6.439 -12.802   3.906
  157   1HB   ASN  28           HB2      ASN  28  -4.488 -11.170   4.597
  158   2HB   ASN  28           HB3      ASN  28  -5.809 -10.219   5.273
  159   1HD2  ASN  28          HD21      ASN  28  -4.427 -13.468   5.249
  160   2HD2  ASN  28          HD22      ASN  28  -4.876 -13.856   6.880
  161    H    LEU  29           HN       LEU  29  -7.207  -9.339   4.109
  162    HA   LEU  29           HA       LEU  29  -9.688  -9.698   5.383
  163   1HB   LEU  29           HB2      LEU  29  -8.734  -7.394   3.682
  164   2HB   LEU  29           HB3      LEU  29 -10.141  -7.354   4.730
  165    HG   LEU  29           HG       LEU  29  -7.499  -8.039   5.935
  166   1HD1  LEU  29          HD11      LEU  29  -6.810  -5.798   6.072
  167   2HD1  LEU  29          HD12      LEU  29  -7.273  -6.033   4.384
  168   3HD1  LEU  29          HD13      LEU  29  -8.366  -5.202   5.492
  169   1HD2  LEU  29          HD21      LEU  29  -9.441  -6.147   7.107
  170   2HD2  LEU  29          HD22      LEU  29  -9.952  -7.831   6.978
  171   3HD2  LEU  29          HD23      LEU  29  -8.488  -7.420   7.871
  172    H    GLY  30           HN       GLY  30  -8.828  -9.478   1.978
  173   1HA   GLY  30           HA1      GLY  30 -11.419  -9.169   0.942
  174   2HA   GLY  30           HA2      GLY  30 -10.044  -9.828   0.077
  175    H    ASN  31           HN       ASN  31  -9.606 -12.110   1.781
  176    HA   ASN  31           HA       ASN  31 -11.830 -13.724   0.769
  177   1HB   ASN  31           HB2      ASN  31  -9.183 -14.158   0.589
  178   2HB   ASN  31           HB3      ASN  31  -9.507 -15.033   2.083
  179   1HD2  ASN  31          HD21      ASN  31 -10.185 -17.040   1.921
  180   2HD2  ASN  31          HD22      ASN  31 -10.802 -17.790   0.481
  181    H    ARG  32           HN       ARG  32 -10.800 -12.378   3.694
  182    HA   ARG  32           HA       ARG  32 -12.021 -14.415   5.381
  183   1HB   ARG  32           HB2      ARG  32 -10.103 -13.525   6.366
  184   2HB   ARG  32           HB3      ARG  32 -10.458 -11.895   5.817
  185   1HG   ARG  32           HG2      ARG  32 -12.540 -12.577   7.559
  186   2HG   ARG  32           HG3      ARG  32 -11.052 -13.153   8.316
  187   1HD   ARG  32           HD2      ARG  32 -10.606 -10.566   7.187
  188   2HD   ARG  32           HD3      ARG  32 -12.039 -10.518   8.213
  189    HE   ARG  32           HE       ARG  32  -9.686 -11.793   9.347
  190   1HH1  ARG  32          HH12      ARG  32 -11.644  -8.887   9.073
  191   2HH1  ARG  32          HH11      ARG  32 -11.003  -8.174  10.526
  192   1HH2  ARG  32          HH22      ARG  32  -8.829 -10.832  11.245
  193   2HH2  ARG  32          HH21      ARG  32  -9.417  -9.277  11.765
  194    H    MET  33           HN       MET  33 -12.962 -11.804   3.562
  195    HA   MET  33           HA       MET  33 -15.203 -11.062   5.279
  196   1HB   MET  33           HB2      MET  33 -13.659  -9.559   3.583
  197   2HB   MET  33           HB3      MET  33 -15.052  -9.900   2.573
  198   1HG   MET  33           HG2      MET  33 -16.277  -8.391   3.635
  199   2HG   MET  33           HG3      MET  33 -15.912  -9.108   5.201
  200   1HE   MET  33           HE1      MET  33 -16.025  -5.590   4.171
  201   2HE   MET  33           HE2      MET  33 -14.449  -5.286   3.438
  202   3HE   MET  33           HE3      MET  33 -15.528  -6.494   2.740
  203    H    VAL  34           HN       VAL  34 -17.249 -11.778   4.911
  204    HA   VAL  34           HA       VAL  34 -17.662 -13.387   2.471
  205    HB   VAL  34           HB       VAL  34 -19.005 -13.946   5.123
  206   1HG1  VAL  34          HG11      VAL  34 -18.649 -16.135   3.241
  207   2HG1  VAL  34          HG12      VAL  34 -20.105 -15.569   4.059
  208   3HG1  VAL  34          HG13      VAL  34 -19.575 -14.796   2.562
  209   1HG2  VAL  34          HG21      VAL  34 -17.324 -16.023   4.891
  210   2HG2  VAL  34          HG22      VAL  34 -16.332 -14.766   4.153
  211   3HG2  VAL  34          HG23      VAL  34 -16.929 -14.565   5.800
  212    HA   PRO  35           HA       PRO  35 -18.950 -13.810   0.907
  213   1HB   PRO  35           HB2      PRO  35 -19.546 -12.402  -1.337
  214   2HB   PRO  35           HB3      PRO  35 -20.734 -13.392  -0.482
  215   1HG   PRO  35           HG2      PRO  35 -20.304 -10.432  -0.363
  216   2HG   PRO  35           HG3      PRO  35 -21.827 -11.335  -0.454
  217   1HD   PRO  35           HD2      PRO  35 -20.871 -10.317   1.862
  218   2HD   PRO  35           HD3      PRO  35 -21.830 -11.809   1.792
  219    HA   PRO  36           HA       PRO  36 -14.881 -12.194   0.432
  220   1HB   PRO  36           HB2      PRO  36 -14.947 -13.575  -2.208
  221   2HB   PRO  36           HB3      PRO  36 -13.747 -13.669  -0.908
  222   1HG   PRO  36           HG2      PRO  36 -15.466 -15.650  -1.235
  223   2HG   PRO  36           HG3      PRO  36 -15.081 -15.073   0.394
  224   1HD   PRO  36           HD2      PRO  36 -17.518 -14.531  -1.279
  225   2HD   PRO  36           HD3      PRO  36 -17.398 -14.861   0.464
  226    H    VAL  37           HN       VAL  37 -13.973 -10.438  -0.354
  227    HA   VAL  37           HA       VAL  37 -15.469  -8.693  -2.028
  228    HB   VAL  37           HB       VAL  37 -12.566  -8.228  -1.491
  229   1HG1  VAL  37          HG11      VAL  37 -15.031  -6.587  -1.778
  230   2HG1  VAL  37          HG12      VAL  37 -13.634  -5.946  -0.911
  231   3HG1  VAL  37          HG13      VAL  37 -13.475  -6.438  -2.598
  232   1HG2  VAL  37          HG21      VAL  37 -13.150  -7.338   0.739
  233   2HG2  VAL  37          HG22      VAL  37 -14.744  -8.075   0.585
  234   3HG2  VAL  37          HG23      VAL  37 -13.300  -9.090   0.626
  235    H    GLY  38           HN       GLY  38 -12.869 -10.937  -2.553
  236   1HA   GLY  38           HA1      GLY  38 -12.107 -11.829  -4.551
  237   2HA   GLY  38           HA2      GLY  38 -13.119 -10.686  -5.425
  238    H    ASN  39           HN       ASN  39 -12.370  -8.322  -4.720
  239    HA   ASN  39           HA       ASN  39  -9.454  -8.153  -4.937
  240   1HB   ASN  39           HB2      ASN  39 -11.272  -7.471  -7.026
  241   2HB   ASN  39           HB3      ASN  39 -10.603  -5.976  -6.385
  242   1HD2  ASN  39          HD21      ASN  39 -10.155  -8.410  -8.565
  243   2HD2  ASN  39          HD22      ASN  39  -8.450  -8.231  -8.854
  244    H    PHE  40           HN       PHE  40  -9.559  -7.722  -2.709
  245    HA   PHE  40           HA       PHE  40 -11.072  -5.807  -1.420
  246   1HB   PHE  40           HB2      PHE  40  -9.581  -7.508  -0.356
  247   2HB   PHE  40           HB3      PHE  40  -8.200  -6.500  -0.769
  248    HD1  PHE  40           HD1      PHE  40  -7.346  -5.394   1.029
  249    HD2  PHE  40           HD2      PHE  40 -11.548  -5.932   0.716
  250    HE1  PHE  40           HE1      PHE  40  -7.654  -4.137   3.117
  251    HE2  PHE  40           HE2      PHE  40 -11.880  -4.692   2.800
  252    HZ   PHE  40           HZ       PHE  40  -9.841  -3.804   4.031
  253    H    MET  41           HN       MET  41  -7.993  -5.424  -3.069
  254    HA   MET  41           HA       MET  41  -8.561  -2.637  -3.532
  255   1HB   MET  41           HB2      MET  41  -7.140  -2.960  -1.369
  256   2HB   MET  41           HB3      MET  41  -5.838  -3.346  -2.485
  257   1HG   MET  41           HG2      MET  41  -5.922  -0.973  -1.725
  258   2HG   MET  41           HG3      MET  41  -5.919  -1.201  -3.474
  259   1HE   MET  41           HE1      MET  41  -9.072   0.029  -0.603
  260   2HE   MET  41           HE2      MET  41  -7.316   0.021  -0.452
  261   3HE   MET  41           HE3      MET  41  -8.135   1.427  -1.135
  262    HA   PRO  42           HA       PRO  42  -7.190  -4.355  -7.452
  263   1HB   PRO  42           HB2      PRO  42  -7.159  -1.468  -8.173
  264   2HB   PRO  42           HB3      PRO  42  -7.964  -2.824  -8.975
  265   1HG   PRO  42           HG2      PRO  42  -9.372  -1.072  -7.539
  266   2HG   PRO  42           HG3      PRO  42  -9.758  -2.803  -7.511
  267   1HD   PRO  42           HD2      PRO  42  -8.314  -1.144  -5.479
  268   2HD   PRO  42           HD3      PRO  42  -9.493  -2.456  -5.238
  269    H    ASP  43           HN       ASP  43  -5.255  -4.586  -8.431
  270    HA   ASP  43           HA       ASP  43  -2.884  -4.080  -7.154
  271   1HB   ASP  43           HB2      ASP  43  -2.829  -5.731  -8.808
  272   2HB   ASP  43           HB3      ASP  43  -3.559  -4.681 -10.018
  273    H    SER  44           HN       SER  44  -4.435  -2.098  -9.647
  274    HA   SER  44           HA       SER  44  -2.324  -0.267  -9.969
  275   1HB   SER  44           HB2      SER  44  -5.278   0.296 -10.324
  276   2HB   SER  44           HB3      SER  44  -3.928   1.166 -11.062
  277    HG   SER  44           HG       SER  44  -3.343  -0.846 -12.070
  278    H    ILE  45           HN       ILE  45  -5.108  -0.257  -7.762
  279    HA   ILE  45           HA       ILE  45  -4.499   2.301  -6.648
  280    HB   ILE  45           HB       ILE  45  -6.146   0.087  -5.405
  281   1HG1  ILE  45          HG12      ILE  45  -6.725   1.082  -7.795
  282   2HG1  ILE  45          HG13      ILE  45  -7.979   0.743  -6.614
  283   1HG2  ILE  45          HG21      ILE  45  -7.286   2.220  -4.418
  284   2HG2  ILE  45          HG22      ILE  45  -5.803   1.597  -3.692
  285   3HG2  ILE  45          HG23      ILE  45  -5.736   2.979  -4.785
  286   1HD1  ILE  45          HD11      ILE  45  -8.601   2.876  -6.543
  287   2HD1  ILE  45          HD12      ILE  45  -6.940   3.425  -6.325
  288   3HD1  ILE  45          HD13      ILE  45  -7.561   3.124  -7.947
  289    H    LEU  46           HN       LEU  46  -3.662  -1.020  -5.899
  290    HA   LEU  46           HA       LEU  46  -2.541  -0.613  -3.344
  291   1HB   LEU  46           HB2      LEU  46  -1.911  -2.647  -5.490
  292   2HB   LEU  46           HB3      LEU  46  -1.183  -2.684  -3.898
  293    HG   LEU  46           HG       LEU  46  -4.155  -2.871  -4.370
  294   1HD1  LEU  46          HD11      LEU  46  -3.937  -5.248  -4.060
  295   2HD1  LEU  46          HD12      LEU  46  -2.912  -4.757  -5.408
  296   3HD1  LEU  46          HD13      LEU  46  -2.195  -5.098  -3.832
  297   1HD2  LEU  46          HD21      LEU  46  -3.708  -4.069  -2.029
  298   2HD2  LEU  46          HD22      LEU  46  -2.364  -2.924  -2.013
  299   3HD2  LEU  46          HD23      LEU  46  -4.021  -2.337  -2.163
  300    H    LYS  47           HN       LYS  47  -1.258  -0.242  -6.599
  301    HA   LYS  47           HA       LYS  47   1.448   0.137  -5.816
  302   1HB   LYS  47           HB2      LYS  47  -0.095   0.690  -8.324
  303   2HB   LYS  47           HB3      LYS  47   1.591   1.151  -8.178
  304   1HG   LYS  47           HG2      LYS  47   2.238  -1.146  -7.830
  305   2HG   LYS  47           HG3      LYS  47   0.546  -1.649  -7.825
  306   1HD   LYS  47           HD2      LYS  47   0.345  -0.810 -10.151
  307   2HD   LYS  47           HD3      LYS  47   2.072  -0.445 -10.134
  308   1HE   LYS  47           HE2      LYS  47   2.679  -2.656 -10.185
  309   2HE   LYS  47           HE3      LYS  47   1.183  -3.186  -9.407
  310   1HZ   LYS  47           HZ1      LYS  47   1.540  -3.634 -11.909
  311   2HZ   LYS  47           HZ2      LYS  47   1.089  -2.011 -12.103
  312   3HZ   LYS  47           HZ3      LYS  47   0.020  -3.107 -11.369
  313    H    LYS  48           HN       LYS  48  -1.160   2.428  -6.662
  314    HA   LYS  48           HA       LYS  48   0.510   4.714  -6.333
  315   1HB   LYS  48           HB2      LYS  48  -1.807   5.899  -6.140
  316   2HB   LYS  48           HB3      LYS  48  -1.307   5.200  -7.673
  317   1HG   LYS  48           HG2      LYS  48  -2.679   3.228  -7.229
  318   2HG   LYS  48           HG3      LYS  48  -3.143   3.904  -5.665
  319   1HD   LYS  48           HD2      LYS  48  -4.941   4.577  -6.895
  320   2HD   LYS  48           HD3      LYS  48  -3.874   5.951  -7.183
  321   1HE   LYS  48           HE2      LYS  48  -3.075   4.682  -9.247
  322   2HE   LYS  48           HE3      LYS  48  -4.461   3.625  -8.989
  323   1HZ   LYS  48           HZ1      LYS  48  -4.435   6.013 -10.364
  324   2HZ   LYS  48           HZ2      LYS  48  -5.239   6.360  -8.909
  325   3HZ   LYS  48           HZ3      LYS  48  -5.805   5.114  -9.906
  326    H    MET  49           HN       MET  49  -1.733   3.010  -4.226
  327    HA   MET  49           HA       MET  49  -1.607   4.908  -2.118
  328   1HB   MET  49           HB2      MET  49  -3.263   3.668  -1.298
  329   2HB   MET  49           HB3      MET  49  -3.076   2.592  -2.671
  330   1HG   MET  49           HG2      MET  49  -2.290   0.951  -1.405
  331   2HG   MET  49           HG3      MET  49  -1.170   2.023  -0.559
  332   1HE   MET  49           HE1      MET  49  -5.298   0.633   0.734
  333   2HE   MET  49           HE2      MET  49  -5.207   1.591  -0.744
  334   3HE   MET  49           HE3      MET  49  -4.309   0.082  -0.626
  335    H    ALA  50           HN       ALA  50   0.390   2.195  -3.050
  336    HA   ALA  50           HA       ALA  50   1.822   2.097  -0.552
  337   1HB   ALA  50           HB1      ALA  50   2.530   0.885  -3.229
  338   2HB   ALA  50           HB2      ALA  50   3.295   0.510  -1.684
  339   3HB   ALA  50           HB3      ALA  50   1.601   0.096  -1.955
  340    H    ALA  51           HN       ALA  51   2.156   3.734  -3.610
  341    HA   ALA  51           HA       ALA  51   4.862   4.574  -3.075
  342   1HB   ALA  51           HB1      ALA  51   3.924   6.139  -5.141
  343   2HB   ALA  51           HB2      ALA  51   4.805   4.621  -5.294
  344   3HB   ALA  51           HB3      ALA  51   3.040   4.624  -5.328
  345    H    ILE  52           HN       ILE  52   1.635   6.044  -3.015
  346    HA   ILE  52           HA       ILE  52   2.800   8.593  -2.238
  347    HB   ILE  52           HB       ILE  52   0.036   7.637  -2.892
  348   1HG1  ILE  52          HG12      ILE  52   0.225   9.756  -4.355
  349   2HG1  ILE  52          HG13      ILE  52   1.935   9.735  -3.935
  350   1HG2  ILE  52          HG21      ILE  52  -1.058   9.256  -1.822
  351   2HG2  ILE  52          HG22      ILE  52   0.373   9.347  -0.800
  352   3HG2  ILE  52          HG23      ILE  52   0.184  10.461  -2.162
  353   1HD1  ILE  52          HD11      ILE  52   2.157   8.465  -5.751
  354   2HD1  ILE  52          HD12      ILE  52   1.526   7.167  -4.735
  355   3HD1  ILE  52          HD13      ILE  52   0.441   8.065  -5.800
  356    H    LEU  53           HN       LEU  53   0.959   5.968  -0.796
  357    HA   LEU  53           HA       LEU  53   0.306   5.490   1.322
  358   1HB   LEU  53           HB2      LEU  53   3.014   6.710   1.640
  359   2HB   LEU  53           HB3      LEU  53   2.102   6.243   3.061
  360    HG   LEU  53           HG       LEU  53   2.695   4.346   0.805
  361   1HD1  LEU  53          HD11      LEU  53   4.828   4.438   1.442
  362   2HD1  LEU  53          HD12      LEU  53   4.442   5.360   2.895
  363   3HD1  LEU  53          HD13      LEU  53   4.298   3.602   2.903
  364   1HD2  LEU  53          HD21      LEU  53   1.698   4.006   3.623
  365   2HD2  LEU  53          HD22      LEU  53   0.898   3.545   2.120
  366   3HD2  LEU  53          HD23      LEU  53   2.331   2.673   2.659
  367    HA   PRO  54           HA       PRO  54  -1.328   9.749   2.056
  368   1HB   PRO  54           HB2      PRO  54  -3.961   8.695   1.541
  369   2HB   PRO  54           HB3      PRO  54  -3.072   9.917   0.632
  370   1HG   PRO  54           HG2      PRO  54  -3.652   7.426  -0.333
  371   2HG   PRO  54           HG3      PRO  54  -2.258   8.383  -0.866
  372   1HD   PRO  54           HD2      PRO  54  -2.370   6.130   1.111
  373   2HD   PRO  54           HD3      PRO  54  -1.155   6.469  -0.143
  374    H    MET  55           HN       MET  55  -1.605  10.265   4.095
  375    HA   MET  55           HA       MET  55  -2.332   8.397   6.104
  376   1HB   MET  55           HB2      MET  55  -1.474  11.198   5.976
  377   2HB   MET  55           HB3      MET  55  -2.601  10.882   7.286
  378   1HG   MET  55           HG2      MET  55  -0.468   8.899   7.058
  379   2HG   MET  55           HG3      MET  55   0.090  10.534   7.398
  380   1HE   MET  55           HE1      MET  55  -1.800   7.583  10.190
  381   2HE   MET  55           HE2      MET  55  -2.756   7.905   8.741
  382   3HE   MET  55           HE3      MET  55  -1.081   7.360   8.601
  383    H    ASN  56           HN       ASN  56  -4.036  11.141   4.643
  384    HA   ASN  56           HA       ASN  56  -6.573   9.931   5.453
  385   1HB   ASN  56           HB2      ASN  56  -5.461  12.290   6.635
  386   2HB   ASN  56           HB3      ASN  56  -6.893  12.737   5.709
  387   1HD2  ASN  56          HD21      ASN  56  -8.531  12.925   7.095
  388   2HD2  ASN  56          HD22      ASN  56  -8.922  11.792   8.343
  389    H    ASP  57           HN       ASP  57  -8.336  11.691   4.515
  390    HA   ASP  57           HA       ASP  57  -8.397  11.207   1.784
  391   1HB   ASP  57           HB2      ASP  57 -10.345  11.822   3.265
  392   2HB   ASP  57           HB3      ASP  57  -9.838  13.506   3.103
  393    H    SER  58           HN       SER  58  -7.021  13.928   3.506
  394    HA   SER  58           HA       SER  58  -6.850  15.835   1.516
  395   1HB   SER  58           HB2      SER  58  -4.401  15.820   3.010
  396   2HB   SER  58           HB3      SER  58  -5.783  16.898   3.181
  397    HG   SER  58           HG       SER  58  -4.988  15.211   4.943
  398    H    ALA  59           HN       ALA  59  -4.482  13.278   2.253
  399    HA   ALA  59           HA       ALA  59  -2.915  13.900  -0.085
  400   1HB   ALA  59           HB1      ALA  59  -2.742  11.742   1.994
  401   2HB   ALA  59           HB2      ALA  59  -1.663  11.811   0.601
  402   3HB   ALA  59           HB3      ALA  59  -1.679  13.131   1.771
  403    H    PHE  60           HN       PHE  60  -5.416  11.653   0.805
  404    HA   PHE  60           HA       PHE  60  -5.128   9.673  -1.095
  405   1HB   PHE  60           HB2      PHE  60  -7.354  10.698   0.545
  406   2HB   PHE  60           HB3      PHE  60  -7.834   9.807  -0.896
  407    HD1  PHE  60           HD1      PHE  60  -7.873   9.204   2.275
  408    HD2  PHE  60           HD2      PHE  60  -5.615   7.877  -1.071
  409    HE1  PHE  60           HE1      PHE  60  -7.422   7.074   3.421
  410    HE2  PHE  60           HE2      PHE  60  -5.160   5.754   0.067
  411    HZ   PHE  60           HZ       PHE  60  -6.061   5.346   2.304
  412    H    ALA  61           HN       ALA  61  -6.144  12.926  -1.571
  413    HA   ALA  61           HA       ALA  61  -7.643  12.693  -3.928
  414   1HB   ALA  61           HB1      ALA  61  -5.948  15.058  -3.829
  415   2HB   ALA  61           HB2      ALA  61  -7.707  14.922  -3.795
  416   3HB   ALA  61           HB3      ALA  61  -6.784  14.740  -2.307
  417    H    THR  62           HN       THR  62  -4.211  12.416  -3.395
  418    HA   THR  62           HA       THR  62  -3.490  12.879  -6.142
  419    HB   THR  62           HB       THR  62  -1.240  12.106  -5.488
  420    HG1  THR  62           HG1      THR  62  -2.427  11.781  -2.908
  421   1HG2  THR  62          HG21      THR  62  -1.090  13.912  -3.528
  422   2HG2  THR  62          HG22      THR  62  -2.706  14.285  -4.126
  423   3HG2  THR  62          HG23      THR  62  -1.324  14.362  -5.219
  424    H    LEU  63           HN       LEU  63  -5.064  10.369  -4.721
  425    HA   LEU  63           HA       LEU  63  -3.710   8.198  -6.068
  426   1HB   LEU  63           HB2      LEU  63  -6.228   8.393  -4.440
  427   2HB   LEU  63           HB3      LEU  63  -5.826   6.934  -5.317
  428    HG   LEU  63           HG       LEU  63  -4.638   8.049  -2.846
  429   1HD1  LEU  63          HD11      LEU  63  -5.835   5.591  -3.826
  430   2HD1  LEU  63          HD12      LEU  63  -4.337   5.310  -2.935
  431   3HD1  LEU  63          HD13      LEU  63  -5.660   6.190  -2.176
  432   1HD2  LEU  63          HD21      LEU  63  -2.533   6.992  -3.119
  433   2HD2  LEU  63          HD22      LEU  63  -3.008   6.285  -4.665
  434   3HD2  LEU  63          HD23      LEU  63  -2.769   8.031  -4.522
  435    H    GLY  64           HN       GLY  64  -5.829  10.595  -6.993
  436   1HA   GLY  64           HA1      GLY  64  -6.566  10.857  -9.214
  437   2HA   GLY  64           HA2      GLY  64  -6.474   9.115  -9.422
  438    H    THR  65           HN       THR  65  -8.072  11.059  -6.955
  439    HA   THR  65           HA       THR  65 -10.166  11.039  -6.110
  440    HB   THR  65           HB       THR  65 -11.867  10.763  -8.270
  441    HG1  THR  65           HG1      THR  65  -9.915  10.801  -9.613
  442   1HG2  THR  65          HG21      THR  65 -12.333  12.493  -6.833
  443   2HG2  THR  65          HG22      THR  65 -11.646  13.392  -8.184
  444   3HG2  THR  65          HG23      THR  65 -10.659  13.032  -6.766
  445    H    VAL  66           HN       VAL  66  -9.837   8.993  -5.071
  446    HA   VAL  66           HA       VAL  66 -10.701   6.567  -6.308
  447    HB   VAL  66           HB       VAL  66 -10.823   5.749  -3.853
  448   1HG1  VAL  66          HG11      VAL  66  -8.970   4.883  -4.733
  449   2HG1  VAL  66          HG12      VAL  66  -8.508   6.401  -5.507
  450   3HG1  VAL  66          HG13      VAL  66  -8.144   6.136  -3.800
  451   1HG2  VAL  66          HG21      VAL  66  -9.888   7.051  -2.165
  452   2HG2  VAL  66          HG22      VAL  66  -9.166   8.184  -3.303
  453   3HG2  VAL  66          HG23      VAL  66 -10.913   8.190  -3.038
  454    H    GLU  67           HN       GLU  67 -12.597   5.384  -5.940
  455    HA   GLU  67           HA       GLU  67 -14.979   6.947  -5.697
  456   1HB   GLU  67           HB2      GLU  67 -14.297   4.115  -6.221
  457   2HB   GLU  67           HB3      GLU  67 -15.884   4.414  -5.555
  458   1HG   GLU  67           HG2      GLU  67 -16.660   5.240  -7.464
  459   2HG   GLU  67           HG3      GLU  67 -15.188   6.151  -7.796
  460    H    ASP  68           HN       ASP  68 -16.629   6.719  -4.122
  461    HA   ASP  68           HA       ASP  68 -15.774   6.759  -1.456
  462   1HB   ASP  68           HB2      ASP  68 -17.871   7.836  -2.344
  463   2HB   ASP  68           HB3      ASP  68 -18.605   6.238  -2.373
  464    H    LYS  69           HN       LYS  69 -17.044   4.165  -3.445
  465    HA   LYS  69           HA       LYS  69 -17.534   2.294  -1.395
  466   1HB   LYS  69           HB2      LYS  69 -17.317   0.584  -3.190
  467   2HB   LYS  69           HB3      LYS  69 -18.397   1.908  -3.611
  468   1HG   LYS  69           HG2      LYS  69 -16.157   2.876  -4.669
  469   2HG   LYS  69           HG3      LYS  69 -15.769   1.157  -4.753
  470   1HD   LYS  69           HD2      LYS  69 -18.466   1.573  -5.630
  471   2HD   LYS  69           HD3      LYS  69 -17.386   2.654  -6.509
  472   1HE   LYS  69           HE2      LYS  69 -16.157   0.097  -6.320
  473   2HE   LYS  69           HE3      LYS  69 -17.807  -0.121  -6.897
  474   1HZ   LYS  69           HZ1      LYS  69 -17.365   1.505  -8.653
  475   2HZ   LYS  69           HZ2      LYS  69 -16.290   0.196  -8.738
  476   3HZ   LYS  69           HZ3      LYS  69 -15.762   1.686  -8.111
  477    H    TYR  70           HN       TYR  70 -14.583   3.331  -2.951
  478    HA   TYR  70           HA       TYR  70 -13.031   1.160  -1.769
  479   1HB   TYR  70           HB2      TYR  70 -12.280   3.503  -3.550
  480   2HB   TYR  70           HB3      TYR  70 -11.082   2.448  -2.806
  481    HD1  TYR  70           HD1      TYR  70 -13.593   2.763  -5.404
  482    HD2  TYR  70           HD2      TYR  70 -10.918   0.086  -3.472
  483    HE1  TYR  70           HE1      TYR  70 -13.822   1.193  -7.279
  484    HE2  TYR  70           HE2      TYR  70 -11.135  -1.490  -5.343
  485    HH   TYR  70           HH       TYR  70 -12.369  -2.016  -7.159
  486    H    ARG  71           HN       ARG  71 -13.755   4.510  -1.411
  487    HA   ARG  71           HA       ARG  71 -11.795   5.255   0.453
  488   1HB   ARG  71           HB2      ARG  71 -14.312   6.331  -0.595
  489   2HB   ARG  71           HB3      ARG  71 -13.958   6.833   1.050
  490   1HG   ARG  71           HG2      ARG  71 -11.612   7.060  -0.559
  491   2HG   ARG  71           HG3      ARG  71 -12.957   7.912  -1.325
  492   1HD   ARG  71           HD2      ARG  71 -12.866   8.373   1.534
  493   2HD   ARG  71           HD3      ARG  71 -11.352   8.833   0.758
  494    HE   ARG  71           HE       ARG  71 -12.442  10.538  -0.343
  495   1HH1  ARG  71          HH12      ARG  71 -14.754   8.535   1.362
  496   2HH1  ARG  71          HH11      ARG  71 -16.063   9.651   1.155
  497   1HH2  ARG  71          HH22      ARG  71 -14.208  11.969  -0.680
  498   2HH2  ARG  71          HH21      ARG  71 -15.770  11.598  -0.003
  499    H    ARG  72           HN       ARG  72 -14.987   3.791   0.848
  500    HA   ARG  72           HA       ARG  72 -15.080   4.106   3.630
  501   1HB   ARG  72           HB2      ARG  72 -17.061   3.927   2.249
  502   2HB   ARG  72           HB3      ARG  72 -16.577   2.305   1.742
  503   1HG   ARG  72           HG2      ARG  72 -16.582   2.579   4.579
  504   2HG   ARG  72           HG3      ARG  72 -18.149   2.979   3.903
  505   1HD   ARG  72           HD2      ARG  72 -18.500   0.871   3.087
  506   2HD   ARG  72           HD3      ARG  72 -16.771   0.559   2.909
  507    HE   ARG  72           HE       ARG  72 -17.813   0.770   5.632
  508   1HH1  ARG  72          HH12      ARG  72 -16.855  -1.334   2.990
  509   2HH1  ARG  72          HH11      ARG  72 -16.510  -2.680   4.035
  510   1HH2  ARG  72          HH22      ARG  72 -17.426  -1.023   6.989
  511   2HH2  ARG  72          HH21      ARG  72 -16.817  -2.503   6.305
  512    H    ARG  73           HN       ARG  73 -14.120   1.434   1.476
  513    HA   ARG  73           HA       ARG  73 -13.659  -0.287   3.773
  514   1HB   ARG  73           HB2      ARG  73 -13.818  -1.989   2.331
  515   2HB   ARG  73           HB3      ARG  73 -14.293  -0.804   1.128
  516   1HG   ARG  73           HG2      ARG  73 -11.389  -1.263   1.476
  517   2HG   ARG  73           HG3      ARG  73 -12.331  -2.566   0.749
  518   1HD   ARG  73           HD2      ARG  73 -12.256   0.290  -0.158
  519   2HD   ARG  73           HD3      ARG  73 -11.431  -1.060  -0.946
  520    HE   ARG  73           HE       ARG  73 -14.320  -0.515  -0.937
  521   1HH1  ARG  73          HH12      ARG  73 -11.652  -2.531  -2.036
  522   2HH1  ARG  73          HH11      ARG  73 -12.616  -3.376  -3.199
  523   1HH2  ARG  73          HH22      ARG  73 -15.581  -1.646  -2.485
  524   2HH2  ARG  73          HH21      ARG  73 -14.817  -2.848  -3.490
  525    H    PHE  74           HN       PHE  74 -12.111   2.213   2.492
  526    HA   PHE  74           HA       PHE  74  -9.398   1.466   2.294
  527   1HB   PHE  74           HB2      PHE  74 -10.918   3.882   2.254
  528   2HB   PHE  74           HB3      PHE  74  -9.579   4.107   3.373
  529    HD1  PHE  74           HD1      PHE  74 -10.268   5.234   0.445
  530    HD2  PHE  74           HD2      PHE  74  -7.563   2.365   2.042
  531    HE1  PHE  74           HE1      PHE  74  -8.767   5.587  -1.479
  532    HE2  PHE  74           HE2      PHE  74  -6.055   2.715   0.138
  533    HZ   PHE  74           HZ       PHE  74  -6.641   4.327  -1.625
  534    H    LYS  75           HN       LYS  75 -11.402   2.329   5.024
  535    HA   LYS  75           HA       LYS  75  -9.521   2.804   6.993
  536   1HB   LYS  75           HB2      LYS  75 -11.376   1.855   8.535
  537   2HB   LYS  75           HB3      LYS  75 -11.694   3.297   7.583
  538   1HG   LYS  75           HG2      LYS  75 -13.476   2.319   6.723
  539   2HG   LYS  75           HG3      LYS  75 -12.440   1.098   5.973
  540   1HD   LYS  75           HD2      LYS  75 -13.608  -0.352   7.245
  541   2HD   LYS  75           HD3      LYS  75 -12.588   0.218   8.568
  542   1HE   LYS  75           HE2      LYS  75 -14.416   2.086   8.761
  543   2HE   LYS  75           HE3      LYS  75 -15.408   0.898   7.908
  544   1HZ   LYS  75           HZ1      LYS  75 -15.406  -0.513   9.667
  545   2HZ   LYS  75           HZ2      LYS  75 -15.255   0.937  10.522
  546   3HZ   LYS  75           HZ3      LYS  75 -13.886  -0.027  10.224
  547    H    TYR  76           HN       TYR  76 -10.329  -0.259   5.547
  548    HA   TYR  76           HA       TYR  76  -9.395  -1.881   7.725
  549   1HB   TYR  76           HB2      TYR  76  -9.812  -2.552   4.805
  550   2HB   TYR  76           HB3      TYR  76  -9.406  -3.725   6.043
  551    HD1  TYR  76           HD1      TYR  76 -12.033  -2.363   4.209
  552    HD2  TYR  76           HD2      TYR  76 -11.061  -3.632   8.148
  553    HE1  TYR  76           HE1      TYR  76 -14.426  -2.654   4.701
  554    HE2  TYR  76           HE2      TYR  76 -13.445  -3.934   8.654
  555    HH   TYR  76           HH       TYR  76 -15.909  -2.687   6.705
  556    H    PHE  77           HN       PHE  77  -7.843   0.073   5.507
  557    HA   PHE  77           HA       PHE  77  -5.334  -1.476   5.664
  558   1HB   PHE  77           HB2      PHE  77  -6.487   0.352   3.614
  559   2HB   PHE  77           HB3      PHE  77  -4.742   0.371   3.829
  560    HD1  PHE  77           HD1      PHE  77  -6.953  -0.722   1.648
  561    HD2  PHE  77           HD2      PHE  77  -4.048  -2.409   4.261
  562    HE1  PHE  77           HE1      PHE  77  -6.745  -2.667   0.156
  563    HE2  PHE  77           HE2      PHE  77  -3.843  -4.363   2.780
  564    HZ   PHE  77           HZ       PHE  77  -5.179  -4.484   0.706
  565    H    LYS  78           HN       LYS  78  -6.971   1.206   6.820
  566    HA   LYS  78           HA       LYS  78  -5.238   3.286   6.993
  567   1HB   LYS  78           HB2      LYS  78  -7.649   2.672   8.118
  568   2HB   LYS  78           HB3      LYS  78  -6.614   2.808   9.531
  569   1HG   LYS  78           HG2      LYS  78  -7.278   4.976   9.353
  570   2HG   LYS  78           HG3      LYS  78  -5.863   5.033   8.300
  571   1HD   LYS  78           HD2      LYS  78  -7.503   4.467   6.410
  572   2HD   LYS  78           HD3      LYS  78  -8.766   4.939   7.553
  573   1HE   LYS  78           HE2      LYS  78  -6.459   6.651   6.631
  574   2HE   LYS  78           HE3      LYS  78  -8.140   6.812   6.127
  575   1HZ   LYS  78           HZ1      LYS  78  -8.284   8.262   7.788
  576   2HZ   LYS  78           HZ2      LYS  78  -6.849   7.745   8.526
  577   3HZ   LYS  78           HZ3      LYS  78  -8.305   6.923   8.820
  578    H    ALA  79           HN       ALA  79  -5.104   0.391   9.057
  579    HA   ALA  79           HA       ALA  79  -3.084   1.541  10.764
  580   1HB   ALA  79           HB1      ALA  79  -4.567  -0.983  10.601
  581   2HB   ALA  79           HB2      ALA  79  -2.919  -1.143  11.206
  582   3HB   ALA  79           HB3      ALA  79  -4.051  -0.058  12.013
  583    H    THR  80           HN       THR  80  -3.166  -0.500   7.942
  584    HA   THR  80           HA       THR  80  -0.426  -1.260   8.003
  585    HB   THR  80           HB       THR  80  -1.754  -1.266   5.379
  586    HG1  THR  80           HG1      THR  80  -2.893  -2.846   7.460
  587   1HG2  THR  80          HG21      THR  80  -0.804  -3.350   5.209
  588   2HG2  THR  80          HG22      THR  80  -1.053  -3.721   6.915
  589   3HG2  THR  80          HG23      THR  80   0.259  -2.649   6.429
  590    H    ILE  81           HN       ILE  81  -2.288   1.177   6.193
  591    HA   ILE  81           HA       ILE  81  -0.178   2.174   4.627
  592    HB   ILE  81           HB       ILE  81  -2.525   3.798   5.670
  593   1HG1  ILE  81          HG12      ILE  81  -2.447   2.320   3.053
  594   2HG1  ILE  81          HG13      ILE  81  -3.040   1.537   4.516
  595   1HG2  ILE  81          HG21      ILE  81  -1.682   5.436   4.442
  596   2HG2  ILE  81          HG22      ILE  81  -0.349   4.407   3.918
  597   3HG2  ILE  81          HG23      ILE  81  -1.858   4.433   2.998
  598   1HD1  ILE  81          HD11      ILE  81  -4.147   4.079   3.340
  599   2HD1  ILE  81          HD12      ILE  81  -4.840   2.466   3.146
  600   3HD1  ILE  81          HD13      ILE  81  -4.764   3.205   4.743
  601    H    ALA  82           HN       ALA  82  -1.170   2.865   7.917
  602    HA   ALA  82           HA       ALA  82   0.574   5.116   8.261
  603   1HB   ALA  82           HB1      ALA  82  -1.551   4.642   9.564
  604   2HB   ALA  82           HB2      ALA  82  -0.599   3.483  10.489
  605   3HB   ALA  82           HB3      ALA  82  -0.152   5.192  10.486
  606    H    ASP  83           HN       ASP  83   0.764   1.663   8.957
  607    HA   ASP  83           HA       ASP  83   3.186   1.783  10.461
  608   1HB   ASP  83           HB2      ASP  83   1.885  -0.171  10.793
  609   2HB   ASP  83           HB3      ASP  83   1.694  -0.429   9.062
  610    H    LEU  84           HN       LEU  84   2.453   1.227   7.039
  611    HA   LEU  84           HA       LEU  84   5.175   0.693   6.359
  612   1HB   LEU  84           HB2      LEU  84   2.822   1.379   4.626
  613   2HB   LEU  84           HB3      LEU  84   4.381   0.826   4.041
  614    HG   LEU  84           HG       LEU  84   2.872  -0.857   6.002
  615   1HD1  LEU  84          HD11      LEU  84   2.025  -0.187   3.295
  616   2HD1  LEU  84          HD12      LEU  84   2.220  -1.919   3.560
  617   3HD1  LEU  84          HD13      LEU  84   1.142  -0.983   4.595
  618   1HD2  LEU  84          HD21      LEU  84   4.072  -2.385   4.010
  619   2HD2  LEU  84          HD22      LEU  84   5.210  -1.075   4.317
  620   3HD2  LEU  84          HD23      LEU  84   4.678  -2.109   5.644
  621    H    SER  85           HN       SER  85   3.224   3.633   6.442
  622    HA   SER  85           HA       SER  85   5.000   5.150   4.804
  623   1HB   SER  85           HB2      SER  85   3.810   7.126   5.974
  624   2HB   SER  85           HB3      SER  85   2.851   6.067   4.941
  625    HG   SER  85           HG       SER  85   1.782   5.369   6.628
  626    H    LYS  86           HN       LYS  86   4.940   4.311   8.181
  627    HA   LYS  86           HA       LYS  86   6.863   6.360   8.913
  628   1HB   LYS  86           HB2      LYS  86   5.085   4.519  10.311
  629   2HB   LYS  86           HB3      LYS  86   6.680   4.599  11.046
  630   1HG   LYS  86           HG2      LYS  86   6.469   7.007  11.268
  631   2HG   LYS  86           HG3      LYS  86   4.893   6.950  10.477
  632   1HD   LYS  86           HD2      LYS  86   3.848   6.102  12.299
  633   2HD   LYS  86           HD3      LYS  86   5.261   5.176  12.814
  634   1HE   LYS  86           HE2      LYS  86   5.826   7.981  12.989
  635   2HE   LYS  86           HE3      LYS  86   4.315   7.634  13.835
  636   1HZ   LYS  86           HZ1      LYS  86   6.532   5.803  14.335
  637   2HZ   LYS  86           HZ2      LYS  86   5.381   6.434  15.410
  638   3HZ   LYS  86           HZ3      LYS  86   6.707   7.375  14.946
  639    H    LYS  87           HN       LYS  87   6.926   3.016   7.944
  640    HA   LYS  87           HA       LYS  87   9.693   2.834   8.890
  641   1HB   LYS  87           HB2      LYS  87   7.942   0.565   7.984
  642   2HB   LYS  87           HB3      LYS  87   9.497   0.455   8.802
  643   1HG   LYS  87           HG2      LYS  87   7.488   2.022  10.241
  644   2HG   LYS  87           HG3      LYS  87   7.072   0.325  10.013
  645   1HD   LYS  87           HD2      LYS  87   8.370   0.912  12.134
  646   2HD   LYS  87           HD3      LYS  87   8.979  -0.425  11.160
  647   1HE   LYS  87           HE2      LYS  87  10.937   0.589  10.947
  648   2HE   LYS  87           HE3      LYS  87  10.156   1.999  10.239
  649   1HZ   LYS  87           HZ1      LYS  87  10.368   1.550  13.172
  650   2HZ   LYS  87           HZ2      LYS  87   9.869   2.963  12.379
  651   3HZ   LYS  87           HZ3      LYS  87  11.486   2.459  12.275
  652    H    ARG  88           HN       ARG  88   7.887   3.075   5.965
  653    HA   ARG  88           HA       ARG  88   9.791   1.794   4.267
  654   1HB   ARG  88           HB2      ARG  88   8.412   2.310   2.544
  655   2HB   ARG  88           HB3      ARG  88   7.266   2.582   3.843
  656   1HG   ARG  88           HG2      ARG  88   7.186   4.808   3.491
  657   2HG   ARG  88           HG3      ARG  88   8.897   4.908   3.055
  658   1HD   ARG  88           HD2      ARG  88   7.970   3.478   0.983
  659   2HD   ARG  88           HD3      ARG  88   6.522   4.402   1.374
  660    HE   ARG  88           HE       ARG  88   9.052   5.834   1.007
  661   1HH1  ARG  88          HH12      ARG  88   5.833   5.042  -0.122
  662   2HH1  ARG  88          HH11      ARG  88   5.793   6.314  -1.304
  663   1HH2  ARG  88          HH22      ARG  88   9.030   7.455  -0.571
  664   2HH2  ARG  88          HH21      ARG  88   7.635   7.684  -1.576
  665    H    SER  89           HN       SER  89   9.742   4.699   5.946
  666    HA   SER  89           HA       SER  89  11.448   6.235   4.228
  667   1HB   SER  89           HB2      SER  89  11.544   7.213   6.894
  668   2HB   SER  89           HB3      SER  89  10.586   7.850   5.548
  669    HG   SER  89           HG       SER  89   9.456   7.081   7.569
  670    H    SER  90           HN       SER  90  12.015   3.494   5.797
  671    HA   SER  90           HA       SER  90  13.838   2.369   6.519
  672   1HB   SER  90           HB2      SER  90  15.610   4.621   5.605
  673   2HB   SER  90           HB3      SER  90  15.918   2.881   5.569
  674    HG   SER  90           HG       SER  90  13.770   3.870   4.085
  675    H    GLU  91           HN       GLU  91  12.494   4.205   8.296
  676    HA   GLU  91           HA       GLU  91  14.712   4.859  10.112
  677   1HB   GLU  91           HB2      GLU  91  12.393   6.391   9.270
  678   2HB   GLU  91           HB3      GLU  91  12.436   6.206  11.020
  679   1HG   GLU  91           HG2      GLU  91  14.197   7.571  11.242
  680   2HG   GLU  91           HG3      GLU  91  15.001   6.933   9.808
  Start of MODEL   12
    1    H    GLU  11           HN       GLU  11  20.238  -1.175   1.241
    2    HA   GLU  11           HA       GLU  11  17.607  -0.222   1.854
    3   1HB   GLU  11           HB2      GLU  11  19.860   1.029   1.086
    4   2HB   GLU  11           HB3      GLU  11  19.060   0.894  -0.475
    5   1HG   GLU  11           HG2      GLU  11  17.334   1.845   1.685
    6   2HG   GLU  11           HG3      GLU  11  18.691   2.910   1.320
    7    H    LEU  12           HN       LEU  12  16.894  -2.476   1.107
    8    HA   LEU  12           HA       LEU  12  16.661  -2.963  -1.689
    9   1HB   LEU  12           HB2      LEU  12  15.158  -4.182   0.636
   10   2HB   LEU  12           HB3      LEU  12  15.223  -4.827  -0.995
   11    HG   LEU  12           HG       LEU  12  17.850  -4.422   0.292
   12   1HD1  LEU  12          HD11      LEU  12  15.794  -5.728   1.756
   13   2HD1  LEU  12          HD12      LEU  12  16.942  -6.945   1.200
   14   3HD1  LEU  12          HD13      LEU  12  17.506  -5.572   2.159
   15   1HD2  LEU  12          HD21      LEU  12  16.834  -6.943  -0.933
   16   2HD2  LEU  12          HD22      LEU  12  17.173  -5.548  -1.961
   17   3HD2  LEU  12          HD23      LEU  12  18.453  -6.245  -0.970
   18    H    ASN  13           HN       ASN  13  14.486  -3.288  -2.711
   19    HA   ASN  13           HA       ASN  13  13.127  -0.866  -2.889
   20   1HB   ASN  13           HB2      ASN  13  13.195  -3.118  -4.374
   21   2HB   ASN  13           HB3      ASN  13  11.612  -3.296  -3.628
   22   1HD2  ASN  13          HD21      ASN  13  13.203  -2.103  -6.230
   23   2HD2  ASN  13          HD22      ASN  13  12.037  -0.938  -6.771
   24    H    ASN  14           HN       ASN  14  12.446  -0.120  -0.924
   25    HA   ASN  14           HA       ASN  14  10.793  -1.589   0.869
   26   1HB   ASN  14           HB2      ASN  14  11.933   0.159   1.918
   27   2HB   ASN  14           HB3      ASN  14  11.587   1.297   0.622
   28   1HD2  ASN  14          HD21      ASN  14  10.336  -0.278   3.461
   29   2HD2  ASN  14          HD22      ASN  14   8.996   0.786   3.699
   30    H    LEU  15           HN       LEU  15  10.199   0.580  -1.812
   31    HA   LEU  15           HA       LEU  15   7.462   1.037  -1.390
   32   1HB   LEU  15           HB2      LEU  15   9.270   1.899  -3.204
   33   2HB   LEU  15           HB3      LEU  15   8.394   0.742  -4.188
   34    HG   LEU  15           HG       LEU  15   6.846   2.781  -2.648
   35   1HD1  LEU  15          HD11      LEU  15   8.672   3.302  -4.939
   36   2HD1  LEU  15          HD12      LEU  15   7.100   4.098  -4.938
   37   3HD1  LEU  15          HD13      LEU  15   8.220   4.347  -3.594
   38   1HD2  LEU  15          HD21      LEU  15   6.518   1.176  -5.166
   39   2HD2  LEU  15          HD22      LEU  15   5.471   1.249  -3.748
   40   3HD2  LEU  15          HD23      LEU  15   5.535   2.610  -4.865
   41    H    ARG  16           HN       ARG  16   9.222  -1.611  -2.864
   42    HA   ARG  16           HA       ARG  16   6.957  -2.971  -3.918
   43   1HB   ARG  16           HB2      ARG  16   9.293  -3.367  -4.675
   44   2HB   ARG  16           HB3      ARG  16   9.649  -4.100  -3.120
   45   1HG   ARG  16           HG2      ARG  16   9.151  -6.023  -4.145
   46   2HG   ARG  16           HG3      ARG  16   7.475  -5.532  -3.884
   47   1HD   ARG  16           HD2      ARG  16   7.119  -5.367  -6.072
   48   2HD   ARG  16           HD3      ARG  16   8.501  -4.287  -6.263
   49    HE   ARG  16           HE       ARG  16   9.827  -6.105  -6.863
   50   1HH1  ARG  16          HH12      ARG  16   6.609  -7.142  -5.943
   51   2HH1  ARG  16          HH11      ARG  16   6.799  -8.736  -6.592
   52   1HH2  ARG  16          HH22      ARG  16  10.062  -8.192  -7.749
   53   2HH2  ARG  16          HH21      ARG  16   8.746  -9.326  -7.643
   54    H    MET  17           HN       MET  17   8.725  -3.001  -0.901
   55    HA   MET  17           HA       MET  17   7.482  -5.206   0.335
   56   1HB   MET  17           HB2      MET  17   9.550  -4.130   1.157
   57   2HB   MET  17           HB3      MET  17   8.627  -2.697   1.588
   58   1HG   MET  17           HG2      MET  17   7.255  -4.536   2.957
   59   2HG   MET  17           HG3      MET  17   8.847  -5.297   2.955
   60   1HE   MET  17           HE1      MET  17   8.472  -4.021   6.432
   61   2HE   MET  17           HE2      MET  17   7.044  -3.208   5.788
   62   3HE   MET  17           HE3      MET  17   7.427  -4.857   5.289
   63    H    THR  18           HN       THR  18   6.719  -1.747   0.293
   64    HA   THR  18           HA       THR  18   4.466  -1.852   2.018
   65    HB   THR  18           HB       THR  18   5.000   0.165  -0.186
   66    HG1  THR  18           HG1      THR  18   6.733  -0.294   1.473
   67   1HG2  THR  18          HG21      THR  18   3.039  -0.034   1.969
   68   2HG2  THR  18          HG22      THR  18   3.066   1.024   0.557
   69   3HG2  THR  18          HG23      THR  18   3.954   1.472   2.013
   70    H    TYR  19           HN       TYR  19   4.808  -1.935  -1.494
   71    HA   TYR  19           HA       TYR  19   2.060  -1.989  -2.114
   72   1HB   TYR  19           HB2      TYR  19   3.393  -1.339  -3.882
   73   2HB   TYR  19           HB3      TYR  19   4.618  -2.549  -3.535
   74    HD1  TYR  19           HD1      TYR  19   1.169  -2.155  -4.927
   75    HD2  TYR  19           HD2      TYR  19   4.714  -4.516  -4.778
   76    HE1  TYR  19           HE1      TYR  19   0.321  -3.545  -6.783
   77    HE2  TYR  19           HE2      TYR  19   3.871  -5.906  -6.620
   78    HH   TYR  19           HH       TYR  19   0.699  -5.287  -8.119
   79    H    GLU  20           HN       GLU  20   4.448  -4.560  -1.606
   80    HA   GLU  20           HA       GLU  20   2.594  -6.639  -2.260
   81   1HB   GLU  20           HB2      GLU  20   5.381  -6.569  -1.205
   82   2HB   GLU  20           HB3      GLU  20   4.454  -8.048  -1.049
   83   1HG   GLU  20           HG2      GLU  20   4.947  -6.596  -3.634
   84   2HG   GLU  20           HG3      GLU  20   5.879  -7.975  -3.064
   85    H    ARG  21           HN       ARG  21   3.532  -5.008   0.702
   86    HA   ARG  21           HA       ARG  21   2.397  -6.937   2.465
   87   1HB   ARG  21           HB2      ARG  21   4.004  -4.864   2.903
   88   2HB   ARG  21           HB3      ARG  21   2.480  -4.049   3.215
   89   1HG   ARG  21           HG2      ARG  21   3.218  -4.779   5.296
   90   2HG   ARG  21           HG3      ARG  21   1.975  -5.942   4.831
   91   1HD   ARG  21           HD2      ARG  21   4.317  -6.993   3.782
   92   2HD   ARG  21           HD3      ARG  21   4.794  -6.342   5.352
   93    HE   ARG  21           HE       ARG  21   3.154  -7.755   6.386
   94   1HH1  ARG  21          HH12      ARG  21   3.835  -8.467   3.022
   95   2HH1  ARG  21          HH11      ARG  21   3.191 -10.084   3.102
   96   1HH2  ARG  21          HH22      ARG  21   2.317  -9.908   6.496
   97   2HH2  ARG  21          HH21      ARG  21   2.289 -10.885   5.049
   98    H    LEU  22           HN       LEU  22   1.203  -4.217   0.651
   99    HA   LEU  22           HA       LEU  22  -1.366  -4.071   1.922
  100   1HB   LEU  22           HB2      LEU  22  -0.068  -2.940  -0.511
  101   2HB   LEU  22           HB3      LEU  22  -1.814  -2.920  -0.427
  102    HG   LEU  22           HG       LEU  22  -0.337  -1.833   1.907
  103   1HD1  LEU  22          HD11      LEU  22   0.970  -0.726   0.345
  104   2HD1  LEU  22          HD12      LEU  22  -0.330  -0.645  -0.840
  105   3HD1  LEU  22          HD13      LEU  22  -0.362   0.402   0.586
  106   1HD2  LEU  22          HD21      LEU  22  -2.288  -0.101   1.309
  107   2HD2  LEU  22          HD22      LEU  22  -2.943  -1.553   0.545
  108   3HD2  LEU  22          HD23      LEU  22  -2.551  -1.558   2.266
  109    H    ARG  23           HN       ARG  23   0.048  -5.729  -0.813
  110    HA   ARG  23           HA       ARG  23  -2.356  -6.675  -1.972
  111   1HB   ARG  23           HB2      ARG  23   0.244  -6.595  -2.767
  112   2HB   ARG  23           HB3      ARG  23   0.097  -8.288  -2.330
  113   1HG   ARG  23           HG2      ARG  23  -1.232  -8.761  -4.077
  114   2HG   ARG  23           HG3      ARG  23  -2.069  -7.211  -3.992
  115   1HD   ARG  23           HD2      ARG  23  -0.869  -7.182  -6.012
  116   2HD   ARG  23           HD3      ARG  23   0.039  -6.154  -4.908
  117    HE   ARG  23           HE       ARG  23   1.549  -8.115  -4.594
  118   1HH1  ARG  23          HH12      ARG  23  -0.412  -7.762  -7.472
  119   2HH1  ARG  23          HH11      ARG  23   0.587  -8.808  -8.442
  120   1HH2  ARG  23          HH22      ARG  23   2.883  -9.476  -5.852
  121   2HH2  ARG  23          HH21      ARG  23   2.471  -9.785  -7.512
  122    H    GLU  24           HN       GLU  24  -0.058  -8.043   0.357
  123    HA   GLU  24           HA       GLU  24  -1.335 -10.570   0.546
  124   1HB   GLU  24           HB2      GLU  24   1.047  -9.750   1.330
  125   2HB   GLU  24           HB3      GLU  24   0.199  -9.403   2.830
  126   1HG   GLU  24           HG2      GLU  24  -0.413 -11.682   3.108
  127   2HG   GLU  24           HG3      GLU  24   0.153 -12.094   1.491
  128    H    LEU  25           HN       LEU  25  -1.625  -7.531   2.262
  129    HA   LEU  25           HA       LEU  25  -3.412  -8.459   4.261
  130   1HB   LEU  25           HB2      LEU  25  -2.017  -6.147   3.803
  131   2HB   LEU  25           HB3      LEU  25  -3.650  -5.643   3.429
  132    HG   LEU  25           HG       LEU  25  -2.387  -6.113   6.000
  133   1HD1  LEU  25          HD11      LEU  25  -3.367  -4.000   5.332
  134   2HD1  LEU  25          HD12      LEU  25  -4.949  -4.770   5.203
  135   3HD1  LEU  25          HD13      LEU  25  -4.156  -4.643   6.774
  136   1HD2  LEU  25          HD21      LEU  25  -4.640  -7.822   5.292
  137   2HD2  LEU  25          HD22      LEU  25  -3.553  -7.897   6.678
  138   3HD2  LEU  25          HD23      LEU  25  -4.948  -6.818   6.707
  139    H    SER  26           HN       SER  26  -3.757  -7.196   1.021
  140    HA   SER  26           HA       SER  26  -6.559  -6.797   1.061
  141   1HB   SER  26           HB2      SER  26  -4.371  -6.694  -0.865
  142   2HB   SER  26           HB3      SER  26  -5.842  -7.330  -1.576
  143    HG   SER  26           HG       SER  26  -5.283  -4.806  -0.606
  144    H    LEU  27           HN       LEU  27  -4.520  -9.556   0.301
  145    HA   LEU  27           HA       LEU  27  -6.588 -11.140  -0.817
  146   1HB   LEU  27           HB2      LEU  27  -3.783 -11.419  -0.223
  147   2HB   LEU  27           HB3      LEU  27  -4.660 -12.857   0.256
  148    HG   LEU  27           HG       LEU  27  -5.433 -13.239  -1.965
  149   1HD1  LEU  27          HD11      LEU  27  -4.814 -10.390  -2.275
  150   2HD1  LEU  27          HD12      LEU  27  -4.317 -11.395  -3.639
  151   3HD1  LEU  27          HD13      LEU  27  -5.999 -11.394  -3.115
  152   1HD2  LEU  27          HD21      LEU  27  -2.537 -12.432  -1.859
  153   2HD2  LEU  27          HD22      LEU  27  -3.224 -14.047  -1.675
  154   3HD2  LEU  27          HD23      LEU  27  -3.263 -13.247  -3.244
  155    H    ASN  28           HN       ASN  28  -5.441 -10.594   2.446
  156    HA   ASN  28           HA       ASN  28  -7.012 -12.793   3.512
  157   1HB   ASN  28           HB2      ASN  28  -4.744 -11.533   4.371
  158   2HB   ASN  28           HB3      ASN  28  -5.968 -10.841   5.433
  159   1HD2  ASN  28          HD21      ASN  28  -3.974 -13.471   4.809
  160   2HD2  ASN  28          HD22      ASN  28  -4.620 -14.567   5.983
  161    H    LEU  29           HN       LEU  29  -6.985  -9.261   3.940
  162    HA   LEU  29           HA       LEU  29  -9.283  -9.064   5.500
  163   1HB   LEU  29           HB2      LEU  29  -7.907  -7.162   3.652
  164   2HB   LEU  29           HB3      LEU  29  -9.413  -6.717   4.429
  165    HG   LEU  29           HG       LEU  29  -6.874  -7.488   5.874
  166   1HD1  LEU  29          HD11      LEU  29  -6.662  -5.373   4.734
  167   2HD1  LEU  29          HD12      LEU  29  -8.183  -4.818   5.437
  168   3HD1  LEU  29          HD13      LEU  29  -6.793  -5.123   6.478
  169   1HD2  LEU  29          HD21      LEU  29  -8.063  -7.616   7.742
  170   2HD2  LEU  29          HD22      LEU  29  -8.836  -6.062   7.421
  171   3HD2  LEU  29          HD23      LEU  29  -9.528  -7.545   6.763
  172    H    GLY  30           HN       GLY  30  -8.961  -9.131   1.987
  173   1HA   GLY  30           HA1      GLY  30 -11.541  -8.322   1.295
  174   2HA   GLY  30           HA2      GLY  30 -10.529  -9.375   0.324
  175    H    ASN  31           HN       ASN  31 -10.361 -11.448   2.328
  176    HA   ASN  31           HA       ASN  31 -12.926 -12.735   1.837
  177   1HB   ASN  31           HB2      ASN  31 -10.448 -13.724   1.644
  178   2HB   ASN  31           HB3      ASN  31 -10.735 -14.081   3.349
  179   1HD2  ASN  31          HD21      ASN  31 -10.577 -16.299   2.748
  180   2HD2  ASN  31          HD22      ASN  31 -11.954 -17.106   2.071
  181    H    ARG  32           HN       ARG  32 -11.348 -11.015   4.287
  182    HA   ARG  32           HA       ARG  32 -12.785 -12.282   6.480
  183   1HB   ARG  32           HB2      ARG  32 -10.420 -11.601   6.746
  184   2HB   ARG  32           HB3      ARG  32 -10.884  -9.929   6.462
  185   1HG   ARG  32           HG2      ARG  32 -10.824  -9.906   8.725
  186   2HG   ARG  32           HG3      ARG  32 -12.499 -10.422   8.503
  187   1HD   ARG  32           HD2      ARG  32 -11.223 -12.808   8.460
  188   2HD   ARG  32           HD3      ARG  32 -10.173 -11.892   9.544
  189    HE   ARG  32           HE       ARG  32 -13.087 -12.076  10.007
  190   1HH1  ARG  32          HH12      ARG  32  -9.778 -12.489  11.120
  191   2HH1  ARG  32          HH11      ARG  32 -10.248 -12.764  12.772
  192   1HH2  ARG  32          HH22      ARG  32 -13.683 -12.451  12.178
  193   2HH2  ARG  32          HH21      ARG  32 -12.451 -12.751  13.371
  194    H    MET  33           HN       MET  33 -13.468 -10.009   4.190
  195    HA   MET  33           HA       MET  33 -14.748  -7.992   5.706
  196   1HB   MET  33           HB2      MET  33 -14.154  -7.408   3.510
  197   2HB   MET  33           HB3      MET  33 -14.917  -8.835   2.824
  198   1HG   MET  33           HG2      MET  33 -16.660  -7.553   2.360
  199   2HG   MET  33           HG3      MET  33 -16.992  -7.502   4.088
  200   1HE   MET  33           HE1      MET  33 -17.883  -4.049   3.278
  201   2HE   MET  33           HE2      MET  33 -18.305  -5.679   3.806
  202   3HE   MET  33           HE3      MET  33 -17.492  -4.571   4.916
  203    H    VAL  34           HN       VAL  34 -16.072 -10.730   3.896
  204    HA   VAL  34           HA       VAL  34 -17.984 -11.906   4.016
  205    HB   VAL  34           HB       VAL  34 -17.615 -11.036   6.848
  206   1HG1  VAL  34          HG11      VAL  34 -19.401 -13.130   6.990
  207   2HG1  VAL  34          HG12      VAL  34 -19.800 -11.430   7.225
  208   3HG1  VAL  34          HG13      VAL  34 -20.035 -12.176   5.645
  209   1HG2  VAL  34          HG21      VAL  34 -17.617 -13.836   6.500
  210   2HG2  VAL  34          HG22      VAL  34 -16.655 -13.137   5.197
  211   3HG2  VAL  34          HG23      VAL  34 -16.257 -12.776   6.873
  212    HA   PRO  35           HA       PRO  35 -19.358 -12.204   2.631
  213   1HB   PRO  35           HB2      PRO  35 -20.123 -10.537   0.359
  214   2HB   PRO  35           HB3      PRO  35 -20.852 -12.032   0.945
  215   1HG   PRO  35           HG2      PRO  35 -22.063  -9.612   1.147
  216   2HG   PRO  35           HG3      PRO  35 -22.326 -10.932   2.304
  217   1HD   PRO  35           HD2      PRO  35 -20.629  -8.485   2.547
  218   2HD   PRO  35           HD3      PRO  35 -21.621  -9.295   3.777
  219    HA   PRO  36           HA       PRO  36 -15.222 -11.284   1.398
  220   1HB   PRO  36           HB2      PRO  36 -15.794 -13.184  -0.834
  221   2HB   PRO  36           HB3      PRO  36 -14.463 -13.181   0.331
  222   1HG   PRO  36           HG2      PRO  36 -16.468 -14.907   0.578
  223   2HG   PRO  36           HG3      PRO  36 -15.769 -14.128   2.011
  224   1HD   PRO  36           HD2      PRO  36 -18.334 -13.535   0.585
  225   2HD   PRO  36           HD3      PRO  36 -17.981 -13.514   2.328
  226    H    VAL  37           HN       VAL  37 -14.417  -9.680   0.227
  227    HA   VAL  37           HA       VAL  37 -15.990  -8.375  -1.776
  228    HB   VAL  37           HB       VAL  37 -13.065  -7.819  -1.344
  229   1HG1  VAL  37          HG11      VAL  37 -13.493  -6.017  -2.569
  230   2HG1  VAL  37          HG12      VAL  37 -15.152  -6.573  -2.784
  231   3HG1  VAL  37          HG13      VAL  37 -14.742  -5.505  -1.437
  232   1HG2  VAL  37          HG21      VAL  37 -13.648  -7.852   0.879
  233   2HG2  VAL  37          HG22      VAL  37 -13.953  -6.165   0.454
  234   3HG2  VAL  37          HG23      VAL  37 -15.294  -7.302   0.566
  235    H    GLY  38           HN       GLY  38 -13.412 -10.705  -1.807
  236   1HA   GLY  38           HA1      GLY  38 -12.783 -12.026  -3.652
  237   2HA   GLY  38           HA2      GLY  38 -13.685 -10.931  -4.692
  238    H    ASN  39           HN       ASN  39 -12.738  -8.561  -4.268
  239    HA   ASN  39           HA       ASN  39  -9.819  -8.631  -4.522
  240   1HB   ASN  39           HB2      ASN  39 -11.177  -8.459  -6.779
  241   2HB   ASN  39           HB3      ASN  39 -11.409  -6.791  -6.271
  242   1HD2  ASN  39          HD21      ASN  39 -10.115  -5.634  -7.549
  243   2HD2  ASN  39          HD22      ASN  39  -8.417  -5.919  -7.772
  244    H    PHE  40           HN       PHE  40  -9.726  -7.877  -2.431
  245    HA   PHE  40           HA       PHE  40 -11.109  -5.821  -1.224
  246   1HB   PHE  40           HB2      PHE  40  -9.336  -7.401  -0.249
  247   2HB   PHE  40           HB3      PHE  40  -8.143  -6.263  -0.857
  248    HD1  PHE  40           HD1      PHE  40  -7.184  -5.220   0.986
  249    HD2  PHE  40           HD2      PHE  40 -11.410  -5.716   0.852
  250    HE1  PHE  40           HE1      PHE  40  -7.410  -3.896   3.048
  251    HE2  PHE  40           HE2      PHE  40 -11.643  -4.397   2.911
  252    HZ   PHE  40           HZ       PHE  40  -9.548  -3.523   4.042
  253    H    MET  41           HN       MET  41  -7.752  -5.255  -2.236
  254    HA   MET  41           HA       MET  41  -8.632  -2.682  -3.355
  255   1HB   MET  41           HB2      MET  41  -7.036  -2.846  -1.226
  256   2HB   MET  41           HB3      MET  41  -5.808  -3.083  -2.457
  257   1HG   MET  41           HG2      MET  41  -6.073  -0.751  -1.694
  258   2HG   MET  41           HG3      MET  41  -6.273  -0.975  -3.434
  259   1HE   MET  41           HE1      MET  41  -7.680  -0.439  -0.086
  260   2HE   MET  41           HE2      MET  41  -8.068   1.205  -0.602
  261   3HE   MET  41           HE3      MET  41  -9.361   0.047  -0.269
  262    HA   PRO  42           HA       PRO  42  -7.179  -4.495  -7.140
  263   1HB   PRO  42           HB2      PRO  42  -7.099  -1.719  -8.128
  264   2HB   PRO  42           HB3      PRO  42  -8.027  -3.099  -8.728
  265   1HG   PRO  42           HG2      PRO  42  -9.221  -1.088  -7.416
  266   2HG   PRO  42           HG3      PRO  42  -9.751  -2.765  -7.215
  267   1HD   PRO  42           HD2      PRO  42  -8.049  -1.096  -5.403
  268   2HD   PRO  42           HD3      PRO  42  -9.355  -2.226  -4.992
  269    H    ASP  43           HN       ASP  43  -5.306  -4.675  -8.276
  270    HA   ASP  43           HA       ASP  43  -2.889  -4.205  -7.037
  271   1HB   ASP  43           HB2      ASP  43  -3.669  -5.571  -9.253
  272   2HB   ASP  43           HB3      ASP  43  -2.809  -4.223  -9.998
  273    H    SER  44           HN       SER  44  -4.603  -2.178  -9.324
  274    HA   SER  44           HA       SER  44  -2.591  -0.338  -9.926
  275   1HB   SER  44           HB2      SER  44  -5.077   0.997  -9.995
  276   2HB   SER  44           HB3      SER  44  -4.222   0.242 -11.344
  277    HG   SER  44           HG       SER  44  -5.806  -1.136 -11.379
  278    H    ILE  45           HN       ILE  45  -5.241  -0.102  -7.555
  279    HA   ILE  45           HA       ILE  45  -4.419   2.375  -6.479
  280    HB   ILE  45           HB       ILE  45  -6.025   0.234  -5.073
  281   1HG1  ILE  45          HG12      ILE  45  -7.027   0.722  -7.253
  282   2HG1  ILE  45          HG13      ILE  45  -8.014   1.422  -5.970
  283   1HG2  ILE  45          HG21      ILE  45  -5.041   2.646  -4.132
  284   2HG2  ILE  45          HG22      ILE  45  -6.716   3.002  -4.549
  285   3HG2  ILE  45          HG23      ILE  45  -6.346   1.698  -3.419
  286   1HD1  ILE  45          HD11      ILE  45  -6.783   2.687  -8.219
  287   2HD1  ILE  45          HD12      ILE  45  -7.928   3.346  -7.048
  288   3HD1  ILE  45          HD13      ILE  45  -6.200   3.419  -6.722
  289    H    LEU  46           HN       LEU  46  -3.614  -0.946  -5.677
  290    HA   LEU  46           HA       LEU  46  -2.360  -0.490  -3.206
  291   1HB   LEU  46           HB2      LEU  46  -1.810  -2.611  -5.280
  292   2HB   LEU  46           HB3      LEU  46  -1.150  -2.626  -3.659
  293    HG   LEU  46           HG       LEU  46  -4.115  -2.676  -4.227
  294   1HD1  LEU  46          HD11      LEU  46  -2.472  -5.065  -3.487
  295   2HD1  LEU  46          HD12      LEU  46  -4.117  -4.991  -4.124
  296   3HD1  LEU  46          HD13      LEU  46  -2.751  -4.612  -5.170
  297   1HD2  LEU  46          HD21      LEU  46  -3.811  -3.869  -1.857
  298   2HD2  LEU  46          HD22      LEU  46  -2.413  -2.788  -1.808
  299   3HD2  LEU  46          HD23      LEU  46  -4.028  -2.126  -2.033
  300    H    LYS  47           HN       LYS  47  -1.181  -0.245  -6.498
  301    HA   LYS  47           HA       LYS  47   1.567   0.042  -5.840
  302   1HB   LYS  47           HB2      LYS  47  -0.105   0.505  -8.261
  303   2HB   LYS  47           HB3      LYS  47   1.509   1.198  -8.212
  304   1HG   LYS  47           HG2      LYS  47   2.531  -0.902  -8.053
  305   2HG   LYS  47           HG3      LYS  47   1.008  -1.702  -7.653
  306   1HD   LYS  47           HD2      LYS  47   0.197  -0.971  -9.942
  307   2HD   LYS  47           HD3      LYS  47   1.871  -0.541 -10.287
  308   1HE   LYS  47           HE2      LYS  47   2.467  -2.672 -10.611
  309   2HE   LYS  47           HE3      LYS  47   1.604  -3.209  -9.171
  310   1HZ   LYS  47           HZ1      LYS  47  -0.201  -2.483 -11.263
  311   2HZ   LYS  47           HZ2      LYS  47  -0.074  -3.943 -10.401
  312   3HZ   LYS  47           HZ3      LYS  47   0.891  -3.678 -11.774
  313    H    LYS  48           HN       LYS  48  -0.902   2.463  -6.774
  314    HA   LYS  48           HA       LYS  48   0.850   4.664  -6.448
  315   1HB   LYS  48           HB2      LYS  48  -1.405   5.951  -6.314
  316   2HB   LYS  48           HB3      LYS  48  -0.967   5.135  -7.803
  317   1HG   LYS  48           HG2      LYS  48  -2.390   3.267  -7.256
  318   2HG   LYS  48           HG3      LYS  48  -2.780   4.000  -5.701
  319   1HD   LYS  48           HD2      LYS  48  -4.600   4.668  -6.891
  320   2HD   LYS  48           HD3      LYS  48  -3.515   6.015  -7.239
  321   1HE   LYS  48           HE2      LYS  48  -2.952   4.036  -9.149
  322   2HE   LYS  48           HE3      LYS  48  -4.708   4.133  -9.038
  323   1HZ   LYS  48           HZ1      LYS  48  -2.794   6.117  -9.979
  324   2HZ   LYS  48           HZ2      LYS  48  -4.129   6.706  -9.114
  325   3HZ   LYS  48           HZ3      LYS  48  -4.368   5.788 -10.517
  326    H    MET  49           HN       MET  49  -1.441   3.117  -4.263
  327    HA   MET  49           HA       MET  49  -1.209   5.102  -2.238
  328   1HB   MET  49           HB2      MET  49  -2.900   3.978  -1.310
  329   2HB   MET  49           HB3      MET  49  -2.852   2.906  -2.701
  330   1HG   MET  49           HG2      MET  49  -1.955   1.210  -1.521
  331   2HG   MET  49           HG3      MET  49  -0.999   2.277  -0.492
  332   1HE   MET  49           HE1      MET  49  -4.612   1.372  -1.437
  333   2HE   MET  49           HE2      MET  49  -4.158  -0.047  -0.493
  334   3HE   MET  49           HE3      MET  49  -5.391   1.067   0.119
  335    H    ALA  50           HN       ALA  50   0.622   2.264  -3.081
  336    HA   ALA  50           HA       ALA  50   2.022   2.055  -0.605
  337   1HB   ALA  50           HB1      ALA  50   1.861   0.557  -2.980
  338   2HB   ALA  50           HB2      ALA  50   3.556   0.997  -2.768
  339   3HB   ALA  50           HB3      ALA  50   2.699   0.138  -1.486
  340    H    ALA  51           HN       ALA  51   2.516   3.835  -3.581
  341    HA   ALA  51           HA       ALA  51   5.228   4.566  -2.928
  342   1HB   ALA  51           HB1      ALA  51   5.101   4.594  -5.172
  343   2HB   ALA  51           HB2      ALA  51   3.381   4.979  -5.175
  344   3HB   ALA  51           HB3      ALA  51   4.570   6.256  -4.916
  345    H    ILE  52           HN       ILE  52   2.091   6.248  -2.999
  346    HA   ILE  52           HA       ILE  52   3.280   8.693  -2.026
  347    HB   ILE  52           HB       ILE  52   0.494   7.827  -2.699
  348   1HG1  ILE  52          HG12      ILE  52   0.991  10.217  -3.944
  349   2HG1  ILE  52          HG13      ILE  52   2.604   9.516  -3.861
  350   1HG2  ILE  52          HG21      ILE  52  -0.208  10.216  -2.148
  351   2HG2  ILE  52          HG22      ILE  52  -0.008   9.100  -0.798
  352   3HG2  ILE  52          HG23      ILE  52   1.246  10.291  -1.152
  353   1HD1  ILE  52          HD11      ILE  52   2.117   8.367  -5.672
  354   2HD1  ILE  52          HD12      ILE  52   0.944   7.452  -4.725
  355   3HD1  ILE  52          HD13      ILE  52   0.439   8.896  -5.616
  356    H    LEU  53           HN       LEU  53   1.330   6.085  -0.703
  357    HA   LEU  53           HA       LEU  53   0.690   5.527   1.396
  358   1HB   LEU  53           HB2      LEU  53   3.392   6.716   1.740
  359   2HB   LEU  53           HB3      LEU  53   2.427   6.484   3.182
  360    HG   LEU  53           HG       LEU  53   3.552   4.425   1.323
  361   1HD1  LEU  53          HD11      LEU  53   4.324   5.395   3.769
  362   2HD1  LEU  53          HD12      LEU  53   3.401   3.958   4.207
  363   3HD1  LEU  53          HD13      LEU  53   4.775   3.819   3.113
  364   1HD2  LEU  53          HD21      LEU  53   1.979   3.026   3.103
  365   2HD2  LEU  53          HD22      LEU  53   0.939   4.366   2.614
  366   3HD2  LEU  53          HD23      LEU  53   1.619   3.291   1.395
  367    HA   PRO  54           HA       PRO  54  -1.183   9.787   1.956
  368   1HB   PRO  54           HB2      PRO  54  -3.651   8.168   1.987
  369   2HB   PRO  54           HB3      PRO  54  -3.281   9.640   1.080
  370   1HG   PRO  54           HG2      PRO  54  -3.433   7.243  -0.124
  371   2HG   PRO  54           HG3      PRO  54  -2.271   8.473  -0.644
  372   1HD   PRO  54           HD2      PRO  54  -1.834   6.028   1.025
  373   2HD   PRO  54           HD3      PRO  54  -0.799   6.723  -0.242
  374    H    MET  55           HN       MET  55  -0.697  10.243   4.004
  375    HA   MET  55           HA       MET  55  -1.229   8.465   6.183
  376   1HB   MET  55           HB2      MET  55   0.113  11.013   5.762
  377   2HB   MET  55           HB3      MET  55  -0.745  10.951   7.295
  378   1HG   MET  55           HG2      MET  55   0.705   8.514   6.883
  379   2HG   MET  55           HG3      MET  55   1.775   9.899   6.684
  380   1HE   MET  55           HE1      MET  55   0.007   7.565   9.185
  381   2HE   MET  55           HE2      MET  55  -0.468   8.654  10.489
  382   3HE   MET  55           HE3      MET  55  -1.233   8.788   8.904
  383    H    ASN  56           HN       ASN  56  -3.099  10.752   4.514
  384    HA   ASN  56           HA       ASN  56  -5.219  10.500   6.496
  385   1HB   ASN  56           HB2      ASN  56  -3.749  12.804   6.446
  386   2HB   ASN  56           HB3      ASN  56  -5.068  13.194   5.347
  387   1HD2  ASN  56          HD21      ASN  56  -5.835  14.740   6.855
  388   2HD2  ASN  56          HD22      ASN  56  -6.706  14.251   8.267
  389    H    ASP  57           HN       ASP  57  -7.350  11.185   5.613
  390    HA   ASP  57           HA       ASP  57  -7.752  10.045   3.047
  391   1HB   ASP  57           HB2      ASP  57  -9.397  10.826   5.238
  392   2HB   ASP  57           HB3      ASP  57 -10.030  11.606   3.791
  393    H    SER  58           HN       SER  58  -6.847  13.161   3.990
  394    HA   SER  58           HA       SER  58  -8.047  14.629   1.865
  395   1HB   SER  58           HB2      SER  58  -5.804  16.071   2.686
  396   2HB   SER  58           HB3      SER  58  -7.443  16.239   3.320
  397    HG   SER  58           HG       SER  58  -5.232  15.289   4.546
  398    H    ALA  59           HN       ALA  59  -4.862  13.210   2.421
  399    HA   ALA  59           HA       ALA  59  -3.630  14.070   0.024
  400   1HB   ALA  59           HB1      ALA  59  -2.824  11.513   1.333
  401   2HB   ALA  59           HB2      ALA  59  -1.825  12.807   0.670
  402   3HB   ALA  59           HB3      ALA  59  -2.635  13.026   2.220
  403    H    PHE  60           HN       PHE  60  -5.754  11.508   0.818
  404    HA   PHE  60           HA       PHE  60  -5.289   9.647  -1.164
  405   1HB   PHE  60           HB2      PHE  60  -7.624  10.404   0.484
  406   2HB   PHE  60           HB3      PHE  60  -7.945   9.428  -0.948
  407    HD1  PHE  60           HD1      PHE  60  -7.698   9.077   2.323
  408    HD2  PHE  60           HD2      PHE  60  -5.755   7.619  -1.162
  409    HE1  PHE  60           HE1      PHE  60  -7.005   7.077   3.559
  410    HE2  PHE  60           HE2      PHE  60  -5.049   5.607   0.070
  411    HZ   PHE  60           HZ       PHE  60  -5.670   5.276   2.310
  412    H    ALA  61           HN       ALA  61  -6.762  12.779  -1.498
  413    HA   ALA  61           HA       ALA  61  -8.252  12.384  -3.836
  414   1HB   ALA  61           HB1      ALA  61  -8.728  14.405  -2.880
  415   2HB   ALA  61           HB2      ALA  61  -7.043  14.753  -2.496
  416   3HB   ALA  61           HB3      ALA  61  -7.628  14.924  -4.152
  417    H    THR  62           HN       THR  62  -4.775  12.683  -3.402
  418    HA   THR  62           HA       THR  62  -4.341  13.241  -6.207
  419    HB   THR  62           HB       THR  62  -1.880  12.656  -5.351
  420    HG1  THR  62           HG1      THR  62  -2.719  12.323  -3.170
  421   1HG2  THR  62          HG21      THR  62  -1.548  15.065  -5.090
  422   2HG2  THR  62          HG22      THR  62  -3.296  15.289  -5.004
  423   3HG2  THR  62          HG23      THR  62  -2.551  14.697  -6.490
  424    H    LEU  63           HN       LEU  63  -5.146  10.500  -4.582
  425    HA   LEU  63           HA       LEU  63  -3.352   8.634  -5.814
  426   1HB   LEU  63           HB2      LEU  63  -5.902   8.443  -4.272
  427   2HB   LEU  63           HB3      LEU  63  -5.443   7.072  -5.253
  428    HG   LEU  63           HG       LEU  63  -4.138   8.148  -2.784
  429   1HD1  LEU  63          HD11      LEU  63  -5.633   5.853  -3.546
  430   2HD1  LEU  63          HD12      LEU  63  -4.014   5.340  -3.080
  431   3HD1  LEU  63          HD13      LEU  63  -5.002   6.278  -1.956
  432   1HD2  LEU  63          HD21      LEU  63  -2.152   6.840  -3.210
  433   2HD2  LEU  63          HD22      LEU  63  -2.760   6.377  -4.801
  434   3HD2  LEU  63          HD23      LEU  63  -2.340   8.062  -4.468
  435    H    GLY  64           HN       GLY  64  -6.230  10.276  -6.720
  436   1HA   GLY  64           HA1      GLY  64  -6.455  10.401  -9.206
  437   2HA   GLY  64           HA2      GLY  64  -6.413   8.644  -9.159
  438    H    THR  65           HN       THR  65  -8.305   7.644  -9.141
  439    HA   THR  65           HA       THR  65 -10.607   9.055  -7.982
  440    HB   THR  65           HB       THR  65 -11.512   7.403 -10.069
  441    HG1  THR  65           HG1      THR  65  -9.685   9.370 -11.035
  442   1HG2  THR  65          HG21      THR  65 -11.640  10.198 -10.722
  443   2HG2  THR  65          HG22      THR  65 -11.981   9.948  -9.011
  444   3HG2  THR  65          HG23      THR  65 -12.937   9.107 -10.229
  445    H    VAL  66           HN       VAL  66  -9.895   7.607  -6.147
  446    HA   VAL  66           HA       VAL  66 -10.231   4.788  -6.446
  447    HB   VAL  66           HB       VAL  66 -10.407   4.929  -3.830
  448   1HG1  VAL  66          HG11      VAL  66  -7.896   5.163  -3.745
  449   2HG1  VAL  66          HG12      VAL  66  -8.542   3.924  -4.826
  450   3HG1  VAL  66          HG13      VAL  66  -7.971   5.455  -5.485
  451   1HG2  VAL  66          HG21      VAL  66  -8.799   7.387  -4.102
  452   2HG2  VAL  66          HG22      VAL  66 -10.551   7.562  -4.199
  453   3HG2  VAL  66          HG23      VAL  66  -9.814   6.838  -2.765
  454    H    GLU  67           HN       GLU  67 -12.009   3.617  -6.343
  455    HA   GLU  67           HA       GLU  67 -14.555   4.594  -6.601
  456   1HB   GLU  67           HB2      GLU  67 -13.407   2.102  -6.507
  457   2HB   GLU  67           HB3      GLU  67 -14.468   2.078  -5.118
  458   1HG   GLU  67           HG2      GLU  67 -16.282   1.906  -6.360
  459   2HG   GLU  67           HG3      GLU  67 -15.741   3.129  -7.510
  460    H    ASP  68           HN       ASP  68 -16.379   4.779  -5.233
  461    HA   ASP  68           HA       ASP  68 -15.928   5.996  -2.746
  462   1HB   ASP  68           HB2      ASP  68 -18.088   5.743  -4.365
  463   2HB   ASP  68           HB3      ASP  68 -18.532   4.620  -3.086
  464    H    LYS  69           HN       LYS  69 -16.715   2.700  -3.635
  465    HA   LYS  69           HA       LYS  69 -16.959   1.750  -0.963
  466   1HB   LYS  69           HB2      LYS  69 -17.014  -0.482  -1.919
  467   2HB   LYS  69           HB3      LYS  69 -18.060   0.596  -2.831
  468   1HG   LYS  69           HG2      LYS  69 -15.869   0.823  -4.324
  469   2HG   LYS  69           HG3      LYS  69 -15.556  -0.773  -3.638
  470   1HD   LYS  69           HD2      LYS  69 -18.278  -0.709  -4.432
  471   2HD   LYS  69           HD3      LYS  69 -17.320  -0.057  -5.760
  472   1HE   LYS  69           HE2      LYS  69 -15.946  -2.313  -4.760
  473   2HE   LYS  69           HE3      LYS  69 -17.641  -2.769  -4.956
  474   1HZ   LYS  69           HZ1      LYS  69 -16.250  -1.305  -7.105
  475   2HZ   LYS  69           HZ2      LYS  69 -17.573  -2.362  -7.206
  476   3HZ   LYS  69           HZ3      LYS  69 -16.022  -2.979  -6.937
  477    H    TYR  70           HN       TYR  70 -14.288   2.272  -3.134
  478    HA   TYR  70           HA       TYR  70 -12.473   0.550  -1.727
  479   1HB   TYR  70           HB2      TYR  70 -11.933   2.833  -3.645
  480   2HB   TYR  70           HB3      TYR  70 -10.691   1.782  -2.981
  481    HD1  TYR  70           HD1      TYR  70 -10.627   1.919  -5.741
  482    HD2  TYR  70           HD2      TYR  70 -13.289  -0.392  -3.372
  483    HE1  TYR  70           HE1      TYR  70 -10.939   0.369  -7.616
  484    HE2  TYR  70           HE2      TYR  70 -13.608  -1.958  -5.240
  485    HH   TYR  70           HH       TYR  70 -13.097  -1.386  -8.220
  486    H    ARG  71           HN       ARG  71 -13.353   3.955  -1.657
  487    HA   ARG  71           HA       ARG  71 -11.387   4.730   0.279
  488   1HB   ARG  71           HB2      ARG  71 -13.763   5.930  -1.010
  489   2HB   ARG  71           HB3      ARG  71 -13.411   6.535   0.599
  490   1HG   ARG  71           HG2      ARG  71 -10.953   6.540  -0.700
  491   2HG   ARG  71           HG3      ARG  71 -12.107   7.073  -1.927
  492   1HD   ARG  71           HD2      ARG  71 -13.006   8.571   0.033
  493   2HD   ARG  71           HD3      ARG  71 -11.390   8.314   0.672
  494    HE   ARG  71           HE       ARG  71 -11.596   9.266  -2.070
  495   1HH1  ARG  71          HH12      ARG  71 -10.985  10.030   1.309
  496   2HH1  ARG  71          HH11      ARG  71 -10.225  11.550   0.942
  497   1HH2  ARG  71          HH22      ARG  71 -10.588  11.267  -2.528
  498   2HH2  ARG  71          HH21      ARG  71 -10.040  12.271  -1.217
  499    H    ARG  72           HN       ARG  72 -14.648   3.442   0.354
  500    HA   ARG  72           HA       ARG  72 -15.240   3.881   3.054
  501   1HB   ARG  72           HB2      ARG  72 -17.156   3.346   1.944
  502   2HB   ARG  72           HB3      ARG  72 -16.333   2.263   0.835
  503   1HG   ARG  72           HG2      ARG  72 -16.158   1.020   3.286
  504   2HG   ARG  72           HG3      ARG  72 -17.799   1.670   3.220
  505   1HD   ARG  72           HD2      ARG  72 -17.046   0.502   0.696
  506   2HD   ARG  72           HD3      ARG  72 -16.852  -0.666   2.007
  507    HE   ARG  72           HE       ARG  72 -19.377   0.802   1.889
  508   1HH1  ARG  72          HH12      ARG  72 -17.638  -2.183   1.207
  509   2HH1  ARG  72          HH11      ARG  72 -19.087  -3.124   1.009
  510   1HH2  ARG  72          HH22      ARG  72 -21.262  -0.417   1.560
  511   2HH2  ARG  72          HH21      ARG  72 -21.157  -2.122   1.211
  512    H    ARG  73           HN       ARG  73 -13.889   0.979   1.415
  513    HA   ARG  73           HA       ARG  73 -13.490  -0.276   3.995
  514   1HB   ARG  73           HB2      ARG  73 -13.237  -2.240   2.892
  515   2HB   ARG  73           HB3      ARG  73 -13.983  -1.356   1.574
  516   1HG   ARG  73           HG2      ARG  73 -11.028  -1.289   1.822
  517   2HG   ARG  73           HG3      ARG  73 -11.801  -2.755   1.213
  518   1HD   ARG  73           HD2      ARG  73 -12.974  -0.463  -0.001
  519   2HD   ARG  73           HD3      ARG  73 -11.223  -0.381  -0.179
  520    HE   ARG  73           HE       ARG  73 -11.265  -2.295  -1.497
  521   1HH1  ARG  73          HH12      ARG  73 -14.481  -1.611  -0.267
  522   2HH1  ARG  73          HH11      ARG  73 -15.271  -2.654  -1.411
  523   1HH2  ARG  73          HH22      ARG  73 -12.293  -3.627  -2.998
  524   2HH2  ARG  73          HH21      ARG  73 -14.026  -3.781  -2.999
  525    H    PHE  74           HN       PHE  74 -11.872   2.047   2.333
  526    HA   PHE  74           HA       PHE  74  -9.166   1.413   2.450
  527   1HB   PHE  74           HB2      PHE  74 -10.731   3.761   2.053
  528   2HB   PHE  74           HB3      PHE  74  -9.479   4.140   3.239
  529    HD1  PHE  74           HD1      PHE  74 -10.010   4.757   0.055
  530    HD2  PHE  74           HD2      PHE  74  -7.260   2.468   2.363
  531    HE1  PHE  74           HE1      PHE  74  -8.331   4.960  -1.738
  532    HE2  PHE  74           HE2      PHE  74  -5.593   2.666   0.575
  533    HZ   PHE  74           HZ       PHE  74  -6.116   3.917  -1.472
  534    H    LYS  75           HN       LYS  75 -11.390   2.300   4.972
  535    HA   LYS  75           HA       LYS  75  -9.654   3.012   7.018
  536   1HB   LYS  75           HB2      LYS  75 -11.500   2.224   8.527
  537   2HB   LYS  75           HB3      LYS  75 -11.998   3.356   7.278
  538   1HG   LYS  75           HG2      LYS  75 -12.617   1.223   5.922
  539   2HG   LYS  75           HG3      LYS  75 -12.573   0.426   7.504
  540   1HD   LYS  75           HD2      LYS  75 -14.018   2.720   7.990
  541   2HD   LYS  75           HD3      LYS  75 -14.555   2.233   6.380
  542   1HE   LYS  75           HE2      LYS  75 -15.647   0.427   7.167
  543   2HE   LYS  75           HE3      LYS  75 -14.356   0.034   8.306
  544   1HZ   LYS  75           HZ1      LYS  75 -15.395   1.094   9.956
  545   2HZ   LYS  75           HZ2      LYS  75 -16.779   1.021   8.988
  546   3HZ   LYS  75           HZ3      LYS  75 -15.821   2.422   8.991
  547    H    TYR  76           HN       TYR  76 -10.269  -0.135   5.652
  548    HA   TYR  76           HA       TYR  76  -9.221  -1.602   7.923
  549   1HB   TYR  76           HB2      TYR  76  -9.978  -2.408   5.112
  550   2HB   TYR  76           HB3      TYR  76  -9.334  -3.544   6.294
  551    HD1  TYR  76           HD1      TYR  76 -12.260  -1.973   5.022
  552    HD2  TYR  76           HD2      TYR  76 -10.645  -3.788   8.515
  553    HE1  TYR  76           HE1      TYR  76 -14.531  -2.321   5.891
  554    HE2  TYR  76           HE2      TYR  76 -12.916  -4.139   9.393
  555    HH   TYR  76           HH       TYR  76 -15.341  -4.394   8.172
  556    H    PHE  77           HN       PHE  77  -7.951   0.187   5.433
  557    HA   PHE  77           HA       PHE  77  -5.389  -1.267   5.426
  558   1HB   PHE  77           HB2      PHE  77  -6.825   0.379   3.434
  559   2HB   PHE  77           HB3      PHE  77  -5.094   0.696   3.564
  560    HD1  PHE  77           HD1      PHE  77  -6.708  -0.483   1.235
  561    HD2  PHE  77           HD2      PHE  77  -4.391  -2.245   4.334
  562    HE1  PHE  77           HE1      PHE  77  -6.272  -2.426  -0.199
  563    HE2  PHE  77           HE2      PHE  77  -3.946  -4.194   2.896
  564    HZ   PHE  77           HZ       PHE  77  -4.891  -4.280   0.615
  565    H    LYS  78           HN       LYS  78  -7.014   1.479   6.575
  566    HA   LYS  78           HA       LYS  78  -5.029   3.422   6.697
  567   1HB   LYS  78           HB2      LYS  78  -7.636   3.092   7.642
  568   2HB   LYS  78           HB3      LYS  78  -6.669   3.408   9.077
  569   1HG   LYS  78           HG2      LYS  78  -7.006   5.553   8.555
  570   2HG   LYS  78           HG3      LYS  78  -5.704   5.290   7.405
  571   1HD   LYS  78           HD2      LYS  78  -7.089   5.881   5.774
  572   2HD   LYS  78           HD3      LYS  78  -8.035   4.429   6.111
  573   1HE   LYS  78           HE2      LYS  78  -9.721   5.827   6.571
  574   2HE   LYS  78           HE3      LYS  78  -8.860   6.180   8.067
  575   1HZ   LYS  78           HZ1      LYS  78  -9.224   8.265   7.157
  576   2HZ   LYS  78           HZ2      LYS  78  -8.942   7.745   5.563
  577   3HZ   LYS  78           HZ3      LYS  78  -7.644   7.913   6.644
  578    H    ALA  79           HN       ALA  79  -5.516   0.579   8.677
  579    HA   ALA  79           HA       ALA  79  -3.741   1.333  10.783
  580   1HB   ALA  79           HB1      ALA  79  -5.095  -0.312  11.548
  581   2HB   ALA  79           HB2      ALA  79  -5.182  -1.118   9.981
  582   3HB   ALA  79           HB3      ALA  79  -3.757  -1.323  10.995
  583    H    THR  80           HN       THR  80  -3.406  -0.244   7.697
  584    HA   THR  80           HA       THR  80  -0.696  -1.116   8.161
  585    HB   THR  80           HB       THR  80  -1.539  -1.066   5.394
  586    HG1  THR  80           HG1      THR  80  -3.355  -2.406   5.639
  587   1HG2  THR  80          HG21      THR  80   0.158  -2.571   6.028
  588   2HG2  THR  80          HG22      THR  80  -1.261  -3.585   5.764
  589   3HG2  THR  80          HG23      THR  80  -0.772  -3.162   7.406
  590    H    ILE  81           HN       ILE  81  -2.328   1.377   6.227
  591    HA   ILE  81           HA       ILE  81  -0.066   2.409   4.937
  592    HB   ILE  81           HB       ILE  81  -2.520   3.974   5.763
  593   1HG1  ILE  81          HG12      ILE  81  -2.063   2.459   3.185
  594   2HG1  ILE  81          HG13      ILE  81  -3.027   1.837   4.522
  595   1HG2  ILE  81          HG21      ILE  81  -0.171   4.752   4.385
  596   2HG2  ILE  81          HG22      ILE  81  -1.480   4.676   3.202
  597   3HG2  ILE  81          HG23      ILE  81  -1.649   5.681   4.643
  598   1HD1  ILE  81          HD11      ILE  81  -4.190   3.002   2.532
  599   2HD1  ILE  81          HD12      ILE  81  -4.716   3.357   4.175
  600   3HD1  ILE  81          HD13      ILE  81  -3.669   4.494   3.318
  601    H    ALA  82           HN       ALA  82  -1.379   3.020   8.146
  602    HA   ALA  82           HA       ALA  82   0.393   5.221   8.699
  603   1HB   ALA  82           HB1      ALA  82  -1.175   3.592  10.682
  604   2HB   ALA  82           HB2      ALA  82  -0.540   5.226  10.893
  605   3HB   ALA  82           HB3      ALA  82  -1.851   4.928   9.750
  606    H    ASP  83           HN       ASP  83   0.496   1.768   9.060
  607    HA   ASP  83           HA       ASP  83   2.709   1.803  10.925
  608   1HB   ASP  83           HB2      ASP  83   1.071  -0.025  11.008
  609   2HB   ASP  83           HB3      ASP  83   1.493  -0.481   9.361
  610    H    LEU  84           HN       LEU  84   2.254   1.128   7.472
  611    HA   LEU  84           HA       LEU  84   4.895   0.322   6.935
  612   1HB   LEU  84           HB2      LEU  84   2.710   1.443   5.207
  613   2HB   LEU  84           HB3      LEU  84   4.278   1.009   4.550
  614    HG   LEU  84           HG       LEU  84   2.889  -1.057   6.164
  615   1HD1  LEU  84          HD11      LEU  84   1.037  -0.232   4.856
  616   2HD1  LEU  84          HD12      LEU  84   2.018  -0.258   3.391
  617   3HD1  LEU  84          HD13      LEU  84   1.585  -1.771   4.189
  618   1HD2  LEU  84          HD21      LEU  84   3.928  -2.527   4.556
  619   2HD2  LEU  84          HD22      LEU  84   4.395  -1.148   3.558
  620   3HD2  LEU  84          HD23      LEU  84   5.120  -1.369   5.150
  621    H    SER  85           HN       SER  85   3.479   3.513   7.240
  622    HA   SER  85           HA       SER  85   5.609   4.884   5.932
  623   1HB   SER  85           HB2      SER  85   4.564   6.797   7.509
  624   2HB   SER  85           HB3      SER  85   3.820   6.288   5.992
  625    HG   SER  85           HG       SER  85   2.239   5.341   7.061
  626    H    LYS  86           HN       LYS  86   5.018   3.730   9.151
  627    HA   LYS  86           HA       LYS  86   7.194   5.197  10.361
  628   1HB   LYS  86           HB2      LYS  86   5.150   3.230  11.265
  629   2HB   LYS  86           HB3      LYS  86   6.638   3.309  12.193
  630   1HG   LYS  86           HG2      LYS  86   6.288   5.704  12.550
  631   2HG   LYS  86           HG3      LYS  86   4.773   5.609  11.648
  632   1HD   LYS  86           HD2      LYS  86   5.083   3.671  13.843
  633   2HD   LYS  86           HD3      LYS  86   4.965   5.364  14.335
  634   1HE   LYS  86           HE2      LYS  86   2.997   3.854  12.599
  635   2HE   LYS  86           HE3      LYS  86   2.758   4.316  14.284
  636   1HZ   LYS  86           HZ1      LYS  86   2.857   6.049  11.894
  637   2HZ   LYS  86           HZ2      LYS  86   3.105   6.686  13.448
  638   3HZ   LYS  86           HZ3      LYS  86   1.638   5.921  13.063
  639    H    LYS  87           HN       LYS  87   6.604   2.067   8.967
  640    HA   LYS  87           HA       LYS  87   9.111   0.945   9.838
  641   1HB   LYS  87           HB2      LYS  87   7.107  -0.083   7.818
  642   2HB   LYS  87           HB3      LYS  87   8.458  -0.994   8.478
  643   1HG   LYS  87           HG2      LYS  87   6.690   0.126  10.516
  644   2HG   LYS  87           HG3      LYS  87   5.905  -1.024   9.433
  645   1HD   LYS  87           HD2      LYS  87   8.397  -2.136  10.068
  646   2HD   LYS  87           HD3      LYS  87   7.741  -1.504  11.580
  647   1HE   LYS  87           HE2      LYS  87   6.182  -3.271   9.694
  648   2HE   LYS  87           HE3      LYS  87   7.124  -3.888  11.050
  649   1HZ   LYS  87           HZ1      LYS  87   5.645  -1.992  12.234
  650   2HZ   LYS  87           HZ2      LYS  87   5.225  -3.633  12.172
  651   3HZ   LYS  87           HZ3      LYS  87   4.569  -2.544  11.044
  652    H    ARG  88           HN       ARG  88   8.115   3.009   7.388
  653    HA   ARG  88           HA       ARG  88   9.845   2.220   5.282
  654   1HB   ARG  88           HB2      ARG  88   7.793   3.886   5.333
  655   2HB   ARG  88           HB3      ARG  88   9.056   5.077   5.628
  656   1HG   ARG  88           HG2      ARG  88  10.210   4.238   3.587
  657   2HG   ARG  88           HG3      ARG  88   8.789   3.242   3.264
  658   1HD   ARG  88           HD2      ARG  88   7.949   5.919   3.818
  659   2HD   ARG  88           HD3      ARG  88   9.211   5.952   2.585
  660    HE   ARG  88           HE       ARG  88   7.285   3.950   1.994
  661   1HH1  ARG  88          HH12      ARG  88   7.742   7.425   1.938
  662   2HH1  ARG  88          HH11      ARG  88   6.640   7.680   0.614
  663   1HH2  ARG  88          HH22      ARG  88   5.778   4.291   0.285
  664   2HH2  ARG  88          HH21      ARG  88   5.540   5.895  -0.332
  665    H    SER  89           HN       SER  89  10.338   3.938   8.227
  666    HA   SER  89           HA       SER  89  12.711   5.319   7.395
  667   1HB   SER  89           HB2      SER  89  12.394   4.913  10.271
  668   2HB   SER  89           HB3      SER  89  12.477   6.410   9.341
  669    HG   SER  89           HG       SER  89  10.375   6.523   9.350
  670    H    SER  90           HN       SER  90  13.216   2.849   6.582
  671    HA   SER  90           HA       SER  90  14.636   1.074   6.639
  672   1HB   SER  90           HB2      SER  90  16.449   2.393   8.592
  673   2HB   SER  90           HB3      SER  90  16.795   1.686   7.016
  674    HG   SER  90           HG       SER  90  15.941   4.268   7.674
  675    H    GLU  91           HN       GLU  91  12.519   0.783   8.436
  676    HA   GLU  91           HA       GLU  91  13.528  -0.138  10.972
  677   1HB   GLU  91           HB2      GLU  91  10.840  -0.077   9.651
  678   2HB   GLU  91           HB3      GLU  91  11.092  -1.137  11.031
  679   1HG   GLU  91           HG2      GLU  91  11.675   1.810  11.073
  680   2HG   GLU  91           HG3      GLU  91  10.128   1.111  11.546
  Start of MODEL   13
    1    H    GLU  11           HN       GLU  11  13.778   6.203  -2.555
    2    HA   GLU  11           HA       GLU  11  13.956   3.820  -0.946
    3   1HB   GLU  11           HB2      GLU  11  11.591   5.453  -0.553
    4   2HB   GLU  11           HB3      GLU  11  12.822   4.979   0.595
    5   1HG   GLU  11           HG2      GLU  11  13.030   7.271   0.585
    6   2HG   GLU  11           HG3      GLU  11  14.278   6.767  -0.551
    7    H    LEU  12           HN       LEU  12  13.574   2.606  -3.082
    8    HA   LEU  12           HA       LEU  12  10.671   2.188  -3.417
    9   1HB   LEU  12           HB2      LEU  12  12.855   2.469  -5.352
   10   2HB   LEU  12           HB3      LEU  12  11.840   1.068  -5.646
   11    HG   LEU  12           HG       LEU  12  10.504   3.708  -5.206
   12   1HD1  LEU  12          HD11      LEU  12  10.907   3.397  -7.983
   13   2HD1  LEU  12          HD12      LEU  12  11.457   4.706  -6.938
   14   3HD1  LEU  12          HD13      LEU  12  12.489   3.301  -7.208
   15   1HD2  LEU  12          HD21      LEU  12   9.037   2.681  -7.035
   16   2HD2  LEU  12          HD22      LEU  12   9.947   1.193  -6.772
   17   3HD2  LEU  12          HD23      LEU  12   9.010   1.900  -5.454
   18    H    ASN  13           HN       ASN  13  13.356   0.856  -2.068
   19    HA   ASN  13           HA       ASN  13  12.922  -1.897  -2.825
   20   1HB   ASN  13           HB2      ASN  13  15.119  -1.613  -2.165
   21   2HB   ASN  13           HB3      ASN  13  14.710  -0.492  -0.876
   22   1HD2  ASN  13          HD21      ASN  13  14.603  -1.216   1.118
   23   2HD2  ASN  13          HD22      ASN  13  14.655  -2.889   1.587
   24    H    ASN  14           HN       ASN  14  12.290   0.105   0.046
   25    HA   ASN  14           HA       ASN  14  10.802  -1.987   1.348
   26   1HB   ASN  14           HB2      ASN  14  12.015   0.206   2.329
   27   2HB   ASN  14           HB3      ASN  14  10.371   0.825   2.181
   28   1HD2  ASN  14          HD21      ASN  14  12.283  -0.225   4.412
   29   2HD2  ASN  14          HD22      ASN  14  11.217  -1.183   5.387
   30    H    LEU  15           HN       LEU  15  10.198   0.413  -0.999
   31    HA   LEU  15           HA       LEU  15   7.422   0.822  -0.652
   32   1HB   LEU  15           HB2      LEU  15   9.189   1.982  -2.234
   33   2HB   LEU  15           HB3      LEU  15   8.666   0.751  -3.366
   34    HG   LEU  15           HG       LEU  15   6.523   2.342  -2.071
   35   1HD1  LEU  15          HD11      LEU  15   8.130   3.480  -4.336
   36   2HD1  LEU  15          HD12      LEU  15   6.841   4.255  -3.415
   37   3HD1  LEU  15          HD13      LEU  15   8.403   3.939  -2.655
   38   1HD2  LEU  15          HD21      LEU  15   6.866   1.783  -4.985
   39   2HD2  LEU  15          HD22      LEU  15   6.366   0.488  -3.899
   40   3HD2  LEU  15          HD23      LEU  15   5.382   1.947  -4.046
   41    H    ARG  16           HN       ARG  16   9.336  -1.676  -2.170
   42    HA   ARG  16           HA       ARG  16   7.218  -2.984  -3.545
   43   1HB   ARG  16           HB2      ARG  16   9.234  -3.736  -4.360
   44   2HB   ARG  16           HB3      ARG  16  10.025  -3.630  -2.795
   45   1HG   ARG  16           HG2      ARG  16   9.715  -5.794  -2.407
   46   2HG   ARG  16           HG3      ARG  16   8.004  -5.697  -2.814
   47   1HD   ARG  16           HD2      ARG  16   8.572  -5.824  -5.198
   48   2HD   ARG  16           HD3      ARG  16  10.280  -5.951  -4.779
   49    HE   ARG  16           HE       ARG  16   8.216  -8.005  -4.425
   50   1HH1  ARG  16          HH12      ARG  16  11.567  -7.007  -4.134
   51   2HH1  ARG  16          HH11      ARG  16  12.154  -8.628  -3.857
   52   1HH2  ARG  16          HH22      ARG  16   8.968 -10.107  -4.022
   53   2HH2  ARG  16          HH21      ARG  16  10.664 -10.388  -3.767
   54    H    MET  17           HN       MET  17   8.594  -3.173  -0.323
   55    HA   MET  17           HA       MET  17   7.085  -5.416   0.551
   56   1HB   MET  17           HB2      MET  17   9.106  -3.781   1.640
   57   2HB   MET  17           HB3      MET  17   7.725  -3.625   2.717
   58   1HG   MET  17           HG2      MET  17   7.986  -5.670   3.535
   59   2HG   MET  17           HG3      MET  17   8.189  -6.368   1.931
   60   1HE   MET  17           HE1      MET  17  10.498  -5.169   0.642
   61   2HE   MET  17           HE2      MET  17  11.996  -5.852   1.273
   62   3HE   MET  17           HE3      MET  17  10.655  -6.915   0.844
   63    H    THR  18           HN       THR  18   6.562  -1.946   0.543
   64    HA   THR  18           HA       THR  18   4.290  -1.789   2.173
   65    HB   THR  18           HB       THR  18   4.760  -0.124  -0.306
   66    HG1  THR  18           HG1      THR  18   6.161  -0.181   2.141
   67   1HG2  THR  18          HG21      THR  18   3.051   0.081   2.067
   68   2HG2  THR  18          HG22      THR  18   2.889   0.831   0.478
   69   3HG2  THR  18          HG23      THR  18   3.951   1.551   1.685
   70    H    TYR  19           HN       TYR  19   4.603  -2.087  -1.338
   71    HA   TYR  19           HA       TYR  19   1.863  -2.407  -1.901
   72   1HB   TYR  19           HB2      TYR  19   3.372  -1.749  -3.638
   73   2HB   TYR  19           HB3      TYR  19   4.360  -3.185  -3.405
   74    HD1  TYR  19           HD1      TYR  19   0.922  -2.142  -4.382
   75    HD2  TYR  19           HD2      TYR  19   4.017  -5.034  -4.772
   76    HE1  TYR  19           HE1      TYR  19  -0.364  -3.273  -6.148
   77    HE2  TYR  19           HE2      TYR  19   2.740  -6.177  -6.537
   78    HH   TYR  19           HH       TYR  19  -0.186  -4.798  -7.891
   79    H    GLU  20           HN       GLU  20   4.446  -4.710  -1.223
   80    HA   GLU  20           HA       GLU  20   3.050  -7.087  -1.786
   81   1HB   GLU  20           HB2      GLU  20   5.520  -6.333  -0.337
   82   2HB   GLU  20           HB3      GLU  20   4.804  -7.869   0.137
   83   1HG   GLU  20           HG2      GLU  20   4.722  -8.190  -2.500
   84   2HG   GLU  20           HG3      GLU  20   6.078  -7.069  -2.414
   85    H    ARG  21           HN       ARG  21   3.483  -5.302   1.267
   86    HA   ARG  21           HA       ARG  21   2.014  -7.092   2.885
   87   1HB   ARG  21           HB2      ARG  21   3.561  -4.936   3.386
   88   2HB   ARG  21           HB3      ARG  21   1.971  -4.205   3.566
   89   1HG   ARG  21           HG2      ARG  21   2.412  -4.882   5.710
   90   2HG   ARG  21           HG3      ARG  21   1.496  -6.255   5.093
   91   1HD   ARG  21           HD2      ARG  21   4.415  -6.365   4.694
   92   2HD   ARG  21           HD3      ARG  21   3.856  -6.482   6.363
   93    HE   ARG  21           HE       ARG  21   2.458  -8.368   5.611
   94   1HH1  ARG  21          HH12      ARG  21   5.285  -7.468   3.751
   95   2HH1  ARG  21          HH11      ARG  21   5.432  -9.026   2.990
   96   1HH2  ARG  21          HH22      ARG  21   2.677 -10.401   4.668
   97   2HH2  ARG  21          HH21      ARG  21   3.953 -10.698   3.522
   98    H    LEU  22           HN       LEU  22   1.066  -4.422   0.850
   99    HA   LEU  22           HA       LEU  22  -1.597  -4.117   1.807
  100   1HB   LEU  22           HB2      LEU  22  -0.053  -3.319  -0.609
  101   2HB   LEU  22           HB3      LEU  22  -1.798  -3.310  -0.738
  102    HG   LEU  22           HG       LEU  22  -0.480  -1.880   1.537
  103   1HD1  LEU  22          HD11      LEU  22  -0.654  -0.938  -1.311
  104   2HD1  LEU  22          HD12      LEU  22  -0.550   0.176   0.056
  105   3HD1  LEU  22          HD13      LEU  22   0.752  -0.972  -0.247
  106   1HD2  LEU  22          HD21      LEU  22  -3.111  -1.981   0.211
  107   2HD2  LEU  22          HD22      LEU  22  -2.690  -1.647   1.893
  108   3HD2  LEU  22          HD23      LEU  22  -2.551  -0.371   0.684
  109    H    ARG  23           HN       ARG  23  -0.077  -6.158  -0.628
  110    HA   ARG  23           HA       ARG  23  -2.558  -7.176  -1.637
  111   1HB   ARG  23           HB2      ARG  23  -0.160  -7.069  -2.722
  112   2HB   ARG  23           HB3      ARG  23   0.011  -8.641  -1.963
  113   1HG   ARG  23           HG2      ARG  23  -0.996  -9.542  -3.699
  114   2HG   ARG  23           HG3      ARG  23  -2.471  -8.671  -3.263
  115   1HD   ARG  23           HD2      ARG  23  -2.278  -7.490  -5.123
  116   2HD   ARG  23           HD3      ARG  23  -0.766  -6.816  -4.517
  117    HE   ARG  23           HE       ARG  23   0.250  -8.921  -5.537
  118   1HH1  ARG  23          HH12      ARG  23  -2.597  -7.337  -6.812
  119   2HH1  ARG  23          HH11      ARG  23  -2.268  -7.791  -8.453
  120   1HH2  ARG  23          HH22      ARG  23   0.651  -9.597  -7.689
  121   2HH2  ARG  23          HH21      ARG  23  -0.442  -9.109  -8.952
  122    H    GLU  24           HN       GLU  24  -0.139  -8.217   0.673
  123    HA   GLU  24           HA       GLU  24  -1.170 -10.801   1.163
  124   1HB   GLU  24           HB2      GLU  24   1.050  -9.423   1.947
  125   2HB   GLU  24           HB3      GLU  24   0.090  -9.367   3.415
  126   1HG   GLU  24           HG2      GLU  24   1.731 -11.272   3.196
  127   2HG   GLU  24           HG3      GLU  24   0.078 -11.692   3.645
  128    H    LEU  25           HN       LEU  25  -1.853  -7.609   2.397
  129    HA   LEU  25           HA       LEU  25  -3.629  -8.461   4.480
  130   1HB   LEU  25           HB2      LEU  25  -2.292  -6.126   3.886
  131   2HB   LEU  25           HB3      LEU  25  -3.937  -5.734   3.435
  132    HG   LEU  25           HG       LEU  25  -2.737  -5.986   6.067
  133   1HD1  LEU  25          HD11      LEU  25  -3.620  -3.918   5.547
  134   2HD1  LEU  25          HD12      LEU  25  -5.085  -4.610   4.848
  135   3HD1  LEU  25          HD13      LEU  25  -4.850  -4.631   6.594
  136   1HD2  LEU  25          HD21      LEU  25  -3.852  -7.855   6.678
  137   2HD2  LEU  25          HD22      LEU  25  -5.191  -6.723   6.882
  138   3HD2  LEU  25          HD23      LEU  25  -5.056  -7.678   5.402
  139    H    SER  26           HN       SER  26  -3.872  -7.405   1.140
  140    HA   SER  26           HA       SER  26  -6.661  -7.046   1.006
  141   1HB   SER  26           HB2      SER  26  -5.618  -6.114  -0.834
  142   2HB   SER  26           HB3      SER  26  -4.450  -7.427  -0.964
  143    HG   SER  26           HG       SER  26  -6.034  -8.698  -1.927
  144    H    LEU  27           HN       LEU  27  -4.633  -9.899   0.608
  145    HA   LEU  27           HA       LEU  27  -6.875 -11.492  -0.254
  146   1HB   LEU  27           HB2      LEU  27  -3.978 -11.945   0.199
  147   2HB   LEU  27           HB3      LEU  27  -5.039 -13.341   0.303
  148    HG   LEU  27           HG       LEU  27  -5.958 -12.592  -1.987
  149   1HD1  LEU  27          HD11      LEU  27  -3.397 -10.995  -1.840
  150   2HD1  LEU  27          HD12      LEU  27  -4.245 -11.372  -3.340
  151   3HD1  LEU  27          HD13      LEU  27  -5.032 -10.384  -2.113
  152   1HD2  LEU  27          HD21      LEU  27  -3.365 -13.380  -2.774
  153   2HD2  LEU  27          HD22      LEU  27  -3.696 -14.164  -1.230
  154   3HD2  LEU  27          HD23      LEU  27  -4.800 -14.389  -2.588
  155    H    ASN  28           HN       ASN  28  -5.183 -10.846   2.740
  156    HA   ASN  28           HA       ASN  28  -6.390 -12.960   4.209
  157   1HB   ASN  28           HB2      ASN  28  -4.338 -11.159   4.697
  158   2HB   ASN  28           HB3      ASN  28  -5.600 -10.661   5.817
  159   1HD2  ASN  28          HD21      ASN  28  -2.919 -12.216   5.908
  160   2HD2  ASN  28          HD22      ASN  28  -3.286 -13.541   6.964
  161    H    LEU  29           HN       LEU  29  -6.975  -9.452   4.061
  162    HA   LEU  29           HA       LEU  29  -9.267  -9.459   5.718
  163   1HB   LEU  29           HB2      LEU  29  -8.210  -7.536   3.657
  164   2HB   LEU  29           HB3      LEU  29  -9.727  -7.242   4.481
  165    HG   LEU  29           HG       LEU  29  -7.124  -7.620   5.939
  166   1HD1  LEU  29          HD11      LEU  29  -6.602  -5.694   4.864
  167   2HD1  LEU  29          HD12      LEU  29  -8.291  -5.278   4.566
  168   3HD1  LEU  29          HD13      LEU  29  -7.589  -5.011   6.160
  169   1HD2  LEU  29          HD21      LEU  29  -8.760  -6.018   7.410
  170   2HD2  LEU  29          HD22      LEU  29  -9.910  -7.136   6.674
  171   3HD2  LEU  29          HD23      LEU  29  -8.569  -7.756   7.640
  172    H    GLY  30           HN       GLY  30  -8.767  -9.714   2.244
  173   1HA   GLY  30           HA1      GLY  30 -11.449  -9.554   1.444
  174   2HA   GLY  30           HA2      GLY  30 -10.166 -10.356   0.551
  175    H    ASN  31           HN       ASN  31  -9.494 -12.384   2.362
  176    HA   ASN  31           HA       ASN  31 -11.570 -14.271   1.842
  177   1HB   ASN  31           HB2      ASN  31  -9.153 -14.858   1.868
  178   2HB   ASN  31           HB3      ASN  31  -9.130 -14.576   3.606
  179   1HD2  ASN  31          HD21      ASN  31  -9.332 -16.303   4.808
  180   2HD2  ASN  31          HD22      ASN  31 -10.121 -17.778   4.347
  181    H    ARG  32           HN       ARG  32 -10.963 -12.086   4.379
  182    HA   ARG  32           HA       ARG  32 -12.428 -13.590   6.392
  183   1HB   ARG  32           HB2      ARG  32 -10.406 -12.025   6.806
  184   2HB   ARG  32           HB3      ARG  32 -11.567 -10.717   6.627
  185   1HG   ARG  32           HG2      ARG  32 -12.570 -11.140   8.603
  186   2HG   ARG  32           HG3      ARG  32 -12.291 -12.882   8.508
  187   1HD   ARG  32           HD2      ARG  32 -10.111 -10.863   9.019
  188   2HD   ARG  32           HD3      ARG  32 -11.009 -11.669  10.302
  189    HE   ARG  32           HE       ARG  32 -10.144 -13.800   9.215
  190   1HH1  ARG  32          HH12      ARG  32  -8.390 -10.760   9.219
  191   2HH1  ARG  32          HH11      ARG  32  -6.826 -11.527   9.100
  192   1HH2  ARG  32          HH22      ARG  32  -8.120 -14.796   9.067
  193   2HH2  ARG  32          HH21      ARG  32  -6.675 -13.827   9.001
  194    H    MET  33           HN       MET  33 -13.141 -11.780   3.763
  195    HA   MET  33           HA       MET  33 -15.614 -10.708   4.907
  196   1HB   MET  33           HB2      MET  33 -13.849  -9.902   2.663
  197   2HB   MET  33           HB3      MET  33 -15.571  -9.662   2.414
  198   1HG   MET  33           HG2      MET  33 -15.740  -8.128   4.120
  199   2HG   MET  33           HG3      MET  33 -14.284  -8.721   4.920
  200   1HE   MET  33           HE1      MET  33 -13.078  -7.163   5.432
  201   2HE   MET  33           HE2      MET  33 -11.725  -6.892   4.333
  202   3HE   MET  33           HE3      MET  33 -12.876  -5.593   4.653
  203    H    VAL  34           HN       VAL  34 -17.600 -10.967   3.589
  204    HA   VAL  34           HA       VAL  34 -17.528 -13.445   1.986
  205    HB   VAL  34           HB       VAL  34 -19.799 -12.665   3.831
  206   1HG1  VAL  34          HG11      VAL  34 -20.928 -14.491   3.080
  207   2HG1  VAL  34          HG12      VAL  34 -19.949 -14.203   1.642
  208   3HG1  VAL  34          HG13      VAL  34 -19.452 -15.423   2.808
  209   1HG2  VAL  34          HG21      VAL  34 -18.172 -15.072   4.383
  210   2HG2  VAL  34          HG22      VAL  34 -17.436 -13.513   4.757
  211   3HG2  VAL  34          HG23      VAL  34 -18.978 -13.967   5.493
  212    HA   PRO  35           HA       PRO  35 -18.004 -14.262   0.342
  213   1HB   PRO  35           HB2      PRO  35 -17.568 -14.067  -2.303
  214   2HB   PRO  35           HB3      PRO  35 -19.167 -14.443  -1.646
  215   1HG   PRO  35           HG2      PRO  35 -18.103 -11.832  -2.654
  216   2HG   PRO  35           HG3      PRO  35 -19.690 -12.575  -2.930
  217   1HD   PRO  35           HD2      PRO  35 -19.221 -10.620  -1.065
  218   2HD   PRO  35           HD3      PRO  35 -20.524 -11.818  -0.939
  219    HA   PRO  36           HA       PRO  36 -13.771 -13.123   0.776
  220   1HB   PRO  36           HB2      PRO  36 -13.185 -15.349  -1.131
  221   2HB   PRO  36           HB3      PRO  36 -12.523 -15.029   0.478
  222   1HG   PRO  36           HG2      PRO  36 -14.341 -16.945   0.090
  223   2HG   PRO  36           HG3      PRO  36 -14.336 -15.953   1.557
  224   1HD   PRO  36           HD2      PRO  36 -16.147 -15.843  -0.797
  225   2HD   PRO  36           HD3      PRO  36 -16.489 -15.503   0.912
  226    H    VAL  37           HN       VAL  37 -12.756 -11.534  -0.153
  227    HA   VAL  37           HA       VAL  37 -12.994 -11.145  -3.048
  228    HB   VAL  37           HB       VAL  37 -11.860  -8.903  -1.602
  229   1HG1  VAL  37          HG11      VAL  37 -14.373  -8.326  -2.767
  230   2HG1  VAL  37          HG12      VAL  37 -12.768  -7.937  -3.383
  231   3HG1  VAL  37          HG13      VAL  37 -13.538  -9.460  -3.830
  232   1HG2  VAL  37          HG21      VAL  37 -14.002  -8.264  -0.490
  233   2HG2  VAL  37          HG22      VAL  37 -14.580  -9.905  -0.769
  234   3HG2  VAL  37          HG23      VAL  37 -13.176  -9.629   0.266
  235    H    GLY  38           HN       GLY  38 -11.295 -12.129  -4.026
  236   1HA   GLY  38           HA1      GLY  38  -8.680 -12.266  -2.890
  237   2HA   GLY  38           HA2      GLY  38  -9.106 -12.612  -4.566
  238    H    ASN  39           HN       ASN  39 -10.349 -10.049  -4.987
  239    HA   ASN  39           HA       ASN  39  -7.977  -8.335  -5.197
  240   1HB   ASN  39           HB2      ASN  39  -9.258  -9.068  -7.328
  241   2HB   ASN  39           HB3      ASN  39 -10.534  -7.985  -6.778
  242   1HD2  ASN  39          HD21      ASN  39  -7.229  -8.197  -7.870
  243   2HD2  ASN  39          HD22      ASN  39  -7.077  -6.535  -8.337
  244    H    PHE  40           HN       PHE  40  -8.568  -8.085  -2.865
  245    HA   PHE  40           HA       PHE  40 -10.852  -6.731  -1.987
  246   1HB   PHE  40           HB2      PHE  40  -9.422  -7.937  -0.476
  247   2HB   PHE  40           HB3      PHE  40  -8.039  -6.955  -0.916
  248    HD1  PHE  40           HD1      PHE  40  -7.312  -5.729   0.816
  249    HD2  PHE  40           HD2      PHE  40 -11.507  -6.164   0.261
  250    HE1  PHE  40           HE1      PHE  40  -7.693  -4.298   2.774
  251    HE2  PHE  40           HE2      PHE  40 -11.919  -4.723   2.213
  252    HZ   PHE  40           HZ       PHE  40 -10.013  -3.783   3.476
  253    H    MET  41           HN       MET  41  -7.697  -5.573  -3.050
  254    HA   MET  41           HA       MET  41  -8.889  -2.941  -3.516
  255   1HB   MET  41           HB2      MET  41  -7.373  -3.052  -1.433
  256   2HB   MET  41           HB3      MET  41  -6.046  -3.253  -2.567
  257   1HG   MET  41           HG2      MET  41  -6.411  -0.924  -1.763
  258   2HG   MET  41           HG3      MET  41  -6.410  -1.118  -3.516
  259   1HE   MET  41           HE1      MET  41  -8.330  -0.468  -0.332
  260   2HE   MET  41           HE2      MET  41  -8.016   1.111  -1.056
  261   3HE   MET  41           HE3      MET  41  -9.675   0.528  -0.879
  262    HA   PRO  42           HA       PRO  42  -7.539  -3.837  -7.649
  263   1HB   PRO  42           HB2      PRO  42  -7.201  -0.880  -7.775
  264   2HB   PRO  42           HB3      PRO  42  -8.063  -1.962  -8.876
  265   1HG   PRO  42           HG2      PRO  42  -9.411  -0.446  -7.162
  266   2HG   PRO  42           HG3      PRO  42  -9.920  -2.119  -7.472
  267   1HD   PRO  42           HD2      PRO  42  -8.456  -0.980  -5.121
  268   2HD   PRO  42           HD3      PRO  42  -9.695  -2.252  -5.167
  269    H    ASP  43           HN       ASP  43  -5.685  -4.198  -8.631
  270    HA   ASP  43           HA       ASP  43  -3.214  -4.063  -7.409
  271   1HB   ASP  43           HB2      ASP  43  -4.008  -5.383  -9.476
  272   2HB   ASP  43           HB3      ASP  43  -3.582  -3.950 -10.401
  273    H    SER  44           HN       SER  44  -4.625  -1.811  -9.747
  274    HA   SER  44           HA       SER  44  -2.379  -0.146 -10.031
  275   1HB   SER  44           HB2      SER  44  -4.725   1.378 -10.426
  276   2HB   SER  44           HB3      SER  44  -3.735   0.593 -11.657
  277    HG   SER  44           HG       SER  44  -5.496  -0.527 -11.981
  278    H    ILE  45           HN       ILE  45  -5.270   0.149  -7.970
  279    HA   ILE  45           HA       ILE  45  -4.559   2.606  -6.793
  280    HB   ILE  45           HB       ILE  45  -6.297   0.417  -5.633
  281   1HG1  ILE  45          HG12      ILE  45  -6.836   1.519  -7.936
  282   2HG1  ILE  45          HG13      ILE  45  -8.111   1.338  -6.738
  283   1HG2  ILE  45          HG21      ILE  45  -7.291   2.723  -4.625
  284   2HG2  ILE  45          HG22      ILE  45  -6.146   1.684  -3.778
  285   3HG2  ILE  45          HG23      ILE  45  -5.568   3.100  -4.664
  286   1HD1  ILE  45          HD11      ILE  45  -6.833   3.858  -6.352
  287   2HD1  ILE  45          HD12      ILE  45  -7.258   3.670  -8.053
  288   3HD1  ILE  45          HD13      ILE  45  -8.502   3.513  -6.814
  289    H    LEU  46           HN       LEU  46  -3.804  -0.721  -5.927
  290    HA   LEU  46           HA       LEU  46  -2.719  -0.184  -3.377
  291   1HB   LEU  46           HB2      LEU  46  -2.123  -2.357  -5.380
  292   2HB   LEU  46           HB3      LEU  46  -1.427  -2.312  -3.771
  293    HG   LEU  46           HG       LEU  46  -4.396  -2.346  -4.217
  294   1HD1  LEU  46          HD11      LEU  46  -2.545  -4.708  -3.915
  295   2HD1  LEU  46          HD12      LEU  46  -4.307  -4.767  -3.857
  296   3HD1  LEU  46          HD13      LEU  46  -3.490  -4.289  -5.345
  297   1HD2  LEU  46          HD21      LEU  46  -3.617  -3.702  -1.890
  298   2HD2  LEU  46          HD22      LEU  46  -2.670  -2.213  -1.935
  299   3HD2  LEU  46          HD23      LEU  46  -4.431  -2.143  -2.013
  300    H    LYS  47           HN       LYS  47  -1.321  -0.176  -6.607
  301    HA   LYS  47           HA       LYS  47   1.353   0.074  -5.786
  302   1HB   LYS  47           HB2      LYS  47  -0.138   0.463  -8.333
  303   2HB   LYS  47           HB3      LYS  47   1.511   1.069  -8.221
  304   1HG   LYS  47           HG2      LYS  47   2.390  -1.068  -7.872
  305   2HG   LYS  47           HG3      LYS  47   0.822  -1.738  -7.443
  306   1HD   LYS  47           HD2      LYS  47   0.093  -1.782  -9.667
  307   2HD   LYS  47           HD3      LYS  47   1.336  -0.645 -10.196
  308   1HE   LYS  47           HE2      LYS  47   2.856  -2.265 -10.478
  309   2HE   LYS  47           HE3      LYS  47   2.410  -3.073  -8.979
  310   1HZ   LYS  47           HZ1      LYS  47   0.362  -3.832 -10.325
  311   2HZ   LYS  47           HZ2      LYS  47   1.850  -4.603 -10.598
  312   3HZ   LYS  47           HZ3      LYS  47   1.294  -3.427 -11.685
  313    H    LYS  48           HN       LYS  48  -0.986   2.596  -6.779
  314    HA   LYS  48           HA       LYS  48   0.918   4.697  -6.507
  315   1HB   LYS  48           HB2      LYS  48  -1.254   6.131  -6.346
  316   2HB   LYS  48           HB3      LYS  48  -0.819   5.367  -7.859
  317   1HG   LYS  48           HG2      LYS  48  -2.365   3.479  -7.190
  318   2HG   LYS  48           HG3      LYS  48  -2.935   4.539  -5.902
  319   1HD   LYS  48           HD2      LYS  48  -4.227   5.669  -7.317
  320   2HD   LYS  48           HD3      LYS  48  -2.875   5.936  -8.421
  321   1HE   LYS  48           HE2      LYS  48  -3.396   3.331  -8.903
  322   2HE   LYS  48           HE3      LYS  48  -5.009   3.898  -8.475
  323   1HZ   LYS  48           HZ1      LYS  48  -4.182   5.805 -10.185
  324   2HZ   LYS  48           HZ2      LYS  48  -5.110   4.452 -10.625
  325   3HZ   LYS  48           HZ3      LYS  48  -3.429   4.433 -10.841
  326    H    MET  49           HN       MET  49  -1.511   3.338  -4.367
  327    HA   MET  49           HA       MET  49  -1.260   5.270  -2.322
  328   1HB   MET  49           HB2      MET  49  -2.974   4.141  -1.412
  329   2HB   MET  49           HB3      MET  49  -2.920   3.102  -2.824
  330   1HG   MET  49           HG2      MET  49  -2.049   1.365  -1.685
  331   2HG   MET  49           HG3      MET  49  -1.091   2.397  -0.625
  332   1HE   MET  49           HE1      MET  49  -4.792   1.431  -1.510
  333   2HE   MET  49           HE2      MET  49  -4.004   0.026  -0.788
  334   3HE   MET  49           HE3      MET  49  -5.317   0.833   0.065
  335    H    ALA  50           HN       ALA  50   0.527   2.363  -3.102
  336    HA   ALA  50           HA       ALA  50   1.961   2.255  -0.602
  337   1HB   ALA  50           HB1      ALA  50   1.887   0.694  -3.092
  338   2HB   ALA  50           HB2      ALA  50   3.473   0.780  -2.330
  339   3HB   ALA  50           HB3      ALA  50   2.092   0.159  -1.423
  340    H    ALA  51           HN       ALA  51   2.377   3.791  -3.700
  341    HA   ALA  51           HA       ALA  51   5.160   4.358  -3.346
  342   1HB   ALA  51           HB1      ALA  51   3.274   4.517  -5.435
  343   2HB   ALA  51           HB2      ALA  51   3.995   6.117  -5.245
  344   3HB   ALA  51           HB3      ALA  51   5.024   4.712  -5.519
  345    H    ILE  52           HN       ILE  52   2.156   6.130  -2.794
  346    HA   ILE  52           HA       ILE  52   3.698   8.488  -1.987
  347    HB   ILE  52           HB       ILE  52   0.852   7.986  -2.708
  348   1HG1  ILE  52          HG12      ILE  52   1.683  10.432  -3.706
  349   2HG1  ILE  52          HG13      ILE  52   3.148   9.450  -3.750
  350   1HG2  ILE  52          HG21      ILE  52   0.897  10.643  -1.932
  351   2HG2  ILE  52          HG22      ILE  52   0.057   9.316  -1.131
  352   3HG2  ILE  52          HG23      ILE  52   1.678   9.780  -0.606
  353   1HD1  ILE  52          HD11      ILE  52   1.645   7.686  -4.874
  354   2HD1  ILE  52          HD12      ILE  52   0.557   9.044  -5.168
  355   3HD1  ILE  52          HD13      ILE  52   2.201   9.066  -5.813
  356    H    LEU  53           HN       LEU  53   1.553   6.055  -0.690
  357    HA   LEU  53           HA       LEU  53   0.945   5.441   1.389
  358   1HB   LEU  53           HB2      LEU  53   3.601   6.711   1.860
  359   2HB   LEU  53           HB3      LEU  53   2.630   6.203   3.227
  360    HG   LEU  53           HG       LEU  53   3.322   4.325   0.984
  361   1HD1  LEU  53          HD11      LEU  53   5.005   5.348   3.133
  362   2HD1  LEU  53          HD12      LEU  53   4.885   3.588   3.096
  363   3HD1  LEU  53          HD13      LEU  53   5.439   4.461   1.669
  364   1HD2  LEU  53          HD21      LEU  53   3.057   2.972   3.385
  365   2HD2  LEU  53          HD22      LEU  53   1.789   4.198   3.431
  366   3HD2  LEU  53          HD23      LEU  53   1.861   3.062   2.089
  367    HA   PRO  54           HA       PRO  54  -0.958   9.552   2.234
  368   1HB   PRO  54           HB2      PRO  54  -3.508   8.245   1.887
  369   2HB   PRO  54           HB3      PRO  54  -2.801   9.547   0.929
  370   1HG   PRO  54           HG2      PRO  54  -3.192   7.010  -0.012
  371   2HG   PRO  54           HG3      PRO  54  -1.945   8.103  -0.623
  372   1HD   PRO  54           HD2      PRO  54  -1.699   5.834   1.311
  373   2HD   PRO  54           HD3      PRO  54  -0.600   6.324   0.001
  374    H    MET  55           HN       MET  55  -0.647   9.707   4.394
  375    HA   MET  55           HA       MET  55  -1.840   7.792   6.224
  376   1HB   MET  55           HB2      MET  55   0.119  10.005   6.423
  377   2HB   MET  55           HB3      MET  55  -0.866   9.730   7.851
  378   1HG   MET  55           HG2      MET  55  -0.131   7.203   7.328
  379   2HG   MET  55           HG3      MET  55   1.257   8.062   6.667
  380   1HE   MET  55           HE1      MET  55  -0.831   9.590   9.532
  381   2HE   MET  55           HE2      MET  55  -1.071   7.885   9.904
  382   3HE   MET  55           HE3      MET  55  -0.117   8.894  10.990
  383    H    ASN  56           HN       ASN  56  -2.784  10.586   4.659
  384    HA   ASN  56           HA       ASN  56  -4.988  10.965   6.561
  385   1HB   ASN  56           HB2      ASN  56  -3.148  12.850   6.340
  386   2HB   ASN  56           HB3      ASN  56  -4.067  13.260   4.896
  387   1HD2  ASN  56          HD21      ASN  56  -4.014  15.193   6.619
  388   2HD2  ASN  56          HD22      ASN  56  -5.483  15.318   7.535
  389    H    ASP  57           HN       ASP  57  -6.972  11.668   5.644
  390    HA   ASP  57           HA       ASP  57  -7.644  10.323   3.241
  391   1HB   ASP  57           HB2      ASP  57  -9.014  11.437   5.423
  392   2HB   ASP  57           HB3      ASP  57  -9.608  12.293   4.002
  393    H    SER  58           HN       SER  58  -6.716  13.610   3.947
  394    HA   SER  58           HA       SER  58  -7.732  14.815   1.593
  395   1HB   SER  58           HB2      SER  58  -5.267  15.972   2.684
  396   2HB   SER  58           HB3      SER  58  -6.853  16.712   2.452
  397    HG   SER  58           HG       SER  58  -7.424  16.160   4.431
  398    H    ALA  59           HN       ALA  59  -4.852  13.019   2.347
  399    HA   ALA  59           HA       ALA  59  -3.398  13.702  -0.017
  400   1HB   ALA  59           HB1      ALA  59  -2.013  13.001   1.723
  401   2HB   ALA  59           HB2      ALA  59  -3.055  11.636   2.132
  402   3HB   ALA  59           HB3      ALA  59  -2.074  11.589   0.668
  403    H    PHE  60           HN       PHE  60  -5.804  11.400   0.849
  404    HA   PHE  60           HA       PHE  60  -5.411   9.437  -1.078
  405   1HB   PHE  60           HB2      PHE  60  -7.622  10.290   0.673
  406   2HB   PHE  60           HB3      PHE  60  -8.121   9.402  -0.763
  407    HD1  PHE  60           HD1      PHE  60  -8.403   8.513   2.109
  408    HD2  PHE  60           HD2      PHE  60  -5.369   7.827  -0.784
  409    HE1  PHE  60           HE1      PHE  60  -7.824   6.415   3.229
  410    HE2  PHE  60           HE2      PHE  60  -4.782   5.717   0.333
  411    HZ   PHE  60           HZ       PHE  60  -5.931   5.007   2.285
  412    H    ALA  61           HN       ALA  61  -6.806  12.621  -1.380
  413    HA   ALA  61           HA       ALA  61  -8.265  12.182  -3.770
  414   1HB   ALA  61           HB1      ALA  61  -7.714  14.805  -3.923
  415   2HB   ALA  61           HB2      ALA  61  -8.967  14.131  -2.880
  416   3HB   ALA  61           HB3      ALA  61  -7.379  14.525  -2.216
  417    H    THR  62           HN       THR  62  -4.879  12.736  -3.171
  418    HA   THR  62           HA       THR  62  -4.308  13.463  -5.900
  419    HB   THR  62           HB       THR  62  -1.917  12.819  -4.746
  420    HG1  THR  62           HG1      THR  62  -2.748  12.718  -2.671
  421   1HG2  THR  62          HG21      THR  62  -3.026  15.563  -4.534
  422   2HG2  THR  62          HG22      THR  62  -2.848  14.828  -6.129
  423   3HG2  THR  62          HG23      THR  62  -1.438  15.033  -5.088
  424    H    LEU  63           HN       LEU  63  -4.931  10.557  -4.390
  425    HA   LEU  63           HA       LEU  63  -3.044   8.855  -5.664
  426   1HB   LEU  63           HB2      LEU  63  -5.753   8.465  -4.437
  427   2HB   LEU  63           HB3      LEU  63  -5.057   7.172  -5.390
  428    HG   LEU  63           HG       LEU  63  -3.959   8.354  -2.847
  429   1HD1  LEU  63          HD11      LEU  63  -4.464   5.466  -3.248
  430   2HD1  LEU  63          HD12      LEU  63  -4.633   6.456  -1.801
  431   3HD1  LEU  63          HD13      LEU  63  -5.873   6.510  -3.058
  432   1HD2  LEU  63          HD21      LEU  63  -2.693   6.655  -4.932
  433   2HD2  LEU  63          HD22      LEU  63  -1.989   7.901  -3.897
  434   3HD2  LEU  63          HD23      LEU  63  -2.358   6.311  -3.231
  435    H    GLY  64           HN       GLY  64  -6.130  10.220  -6.488
  436   1HA   GLY  64           HA1      GLY  64  -6.156  10.648  -9.039
  437   2HA   GLY  64           HA2      GLY  64  -6.133   8.890  -9.101
  438    H    THR  65           HN       THR  65  -7.769  11.057  -6.867
  439    HA   THR  65           HA       THR  65  -9.889  11.151  -6.089
  440    HB   THR  65           HB       THR  65 -11.391  10.848  -8.458
  441    HG1  THR  65           HG1      THR  65  -9.902  11.350  -9.901
  442   1HG2  THR  65          HG21      THR  65 -11.134  12.606  -6.323
  443   2HG2  THR  65          HG22      THR  65 -12.287  12.725  -7.653
  444   3HG2  THR  65          HG23      THR  65 -10.745  13.573  -7.746
  445    H    VAL  66           HN       VAL  66  -9.671   9.088  -5.035
  446    HA   VAL  66           HA       VAL  66 -10.646   6.709  -6.263
  447    HB   VAL  66           HB       VAL  66 -10.675   5.774  -3.945
  448   1HG1  VAL  66          HG11      VAL  66  -8.381   5.477  -3.839
  449   2HG1  VAL  66          HG12      VAL  66  -8.661   5.870  -5.535
  450   3HG1  VAL  66          HG13      VAL  66  -8.035   7.100  -4.435
  451   1HG2  VAL  66          HG21      VAL  66 -10.532   7.030  -2.117
  452   2HG2  VAL  66          HG22      VAL  66  -9.134   7.909  -2.739
  453   3HG2  VAL  66          HG23      VAL  66 -10.765   8.432  -3.162
  454    H    GLU  67           HN       GLU  67 -12.653   5.756  -6.140
  455    HA   GLU  67           HA       GLU  67 -14.884   7.443  -5.724
  456   1HB   GLU  67           HB2      GLU  67 -14.466   4.569  -6.391
  457   2HB   GLU  67           HB3      GLU  67 -16.037   5.038  -5.777
  458   1HG   GLU  67           HG2      GLU  67 -16.627   5.840  -7.746
  459   2HG   GLU  67           HG3      GLU  67 -15.201   6.868  -7.810
  460    H    ASP  68           HN       ASP  68 -16.623   7.111  -4.150
  461    HA   ASP  68           HA       ASP  68 -15.669   7.027  -1.512
  462   1HB   ASP  68           HB2      ASP  68 -18.019   7.792  -2.678
  463   2HB   ASP  68           HB3      ASP  68 -18.509   6.340  -1.809
  464    H    LYS  69           HN       LYS  69 -17.078   4.501  -3.538
  465    HA   LYS  69           HA       LYS  69 -17.430   2.611  -1.466
  466   1HB   LYS  69           HB2      LYS  69 -17.798   0.991  -3.159
  467   2HB   LYS  69           HB3      LYS  69 -18.451   2.502  -3.773
  468   1HG   LYS  69           HG2      LYS  69 -15.713   2.223  -4.572
  469   2HG   LYS  69           HG3      LYS  69 -16.632   0.780  -5.013
  470   1HD   LYS  69           HD2      LYS  69 -18.351   2.807  -5.699
  471   2HD   LYS  69           HD3      LYS  69 -16.776   3.501  -6.087
  472   1HE   LYS  69           HE2      LYS  69 -16.256   1.438  -7.375
  473   2HE   LYS  69           HE3      LYS  69 -17.910   0.897  -7.096
  474   1HZ   LYS  69           HZ1      LYS  69 -18.483   3.201  -8.127
  475   2HZ   LYS  69           HZ2      LYS  69 -18.092   1.889  -9.126
  476   3HZ   LYS  69           HZ3      LYS  69 -16.920   3.078  -8.791
  477    H    TYR  70           HN       TYR  70 -14.623   3.646  -3.218
  478    HA   TYR  70           HA       TYR  70 -13.012   1.353  -2.555
  479   1HB   TYR  70           HB2      TYR  70 -12.381   4.077  -3.695
  480   2HB   TYR  70           HB3      TYR  70 -11.112   2.943  -3.251
  481    HD1  TYR  70           HD1      TYR  70 -14.153   3.248  -5.378
  482    HD2  TYR  70           HD2      TYR  70 -10.419   1.305  -4.772
  483    HE1  TYR  70           HE1      TYR  70 -14.372   2.155  -7.571
  484    HE2  TYR  70           HE2      TYR  70 -10.629   0.209  -6.964
  485    HH   TYR  70           HH       TYR  70 -13.479   0.767  -9.041
  486    H    ARG  71           HN       ARG  71 -13.753   4.471  -1.230
  487    HA   ARG  71           HA       ARG  71 -11.753   4.566   0.765
  488   1HB   ARG  71           HB2      ARG  71 -14.430   5.943   0.535
  489   2HB   ARG  71           HB3      ARG  71 -13.289   6.261   1.839
  490   1HG   ARG  71           HG2      ARG  71 -11.726   6.554  -0.382
  491   2HG   ARG  71           HG3      ARG  71 -13.285   7.197  -0.922
  492   1HD   ARG  71           HD2      ARG  71 -12.205   7.993   1.740
  493   2HD   ARG  71           HD3      ARG  71 -11.537   8.731   0.286
  494    HE   ARG  71           HE       ARG  71 -13.804   9.518  -0.229
  495   1HH1  ARG  71          HH12      ARG  71 -13.100   8.489   3.054
  496   2HH1  ARG  71          HH11      ARG  71 -14.379   9.428   3.774
  497   1HH2  ARG  71          HH22      ARG  71 -15.510  10.773   0.722
  498   2HH2  ARG  71          HH21      ARG  71 -15.754  10.717   2.444
  499    H    ARG  72           HN       ARG  72 -14.883   3.119   0.496
  500    HA   ARG  72           HA       ARG  72 -15.655   2.628   3.089
  501   1HB   ARG  72           HB2      ARG  72 -15.863   0.891   0.645
  502   2HB   ARG  72           HB3      ARG  72 -16.690   0.537   2.159
  503   1HG   ARG  72           HG2      ARG  72 -17.022   3.216   0.924
  504   2HG   ARG  72           HG3      ARG  72 -17.874   1.828   0.255
  505   1HD   ARG  72           HD2      ARG  72 -17.909   2.364   3.184
  506   2HD   ARG  72           HD3      ARG  72 -19.002   3.247   2.106
  507    HE   ARG  72           HE       ARG  72 -18.954   0.293   2.238
  508   1HH1  ARG  72          HH12      ARG  72 -20.653   3.341   2.187
  509   2HH1  ARG  72          HH11      ARG  72 -22.238   2.625   2.200
  510   1HH2  ARG  72          HH22      ARG  72 -21.030  -0.699   2.200
  511   2HH2  ARG  72          HH21      ARG  72 -22.453   0.306   2.201
  512    H    ARG  73           HN       ARG  73 -13.692   0.427   1.078
  513    HA   ARG  73           HA       ARG  73 -13.002  -1.094   3.459
  514   1HB   ARG  73           HB2      ARG  73 -12.011  -2.714   1.997
  515   2HB   ARG  73           HB3      ARG  73 -13.560  -2.253   1.311
  516   1HG   ARG  73           HG2      ARG  73 -11.135  -0.821   0.393
  517   2HG   ARG  73           HG3      ARG  73 -11.410  -2.472  -0.171
  518   1HD   ARG  73           HD2      ARG  73 -13.817  -0.883  -0.284
  519   2HD   ARG  73           HD3      ARG  73 -12.501  -0.139  -1.202
  520    HE   ARG  73           HE       ARG  73 -12.303  -2.587  -2.126
  521   1HH1  ARG  73          HH12      ARG  73 -15.222  -0.731  -1.574
  522   2HH1  ARG  73          HH11      ARG  73 -16.129  -1.555  -2.800
  523   1HH2  ARG  73          HH22      ARG  73 -13.447  -3.583  -3.837
  524   2HH2  ARG  73          HH21      ARG  73 -15.116  -3.152  -4.110
  525    H    PHE  74           HN       PHE  74 -11.951   1.644   2.033
  526    HA   PHE  74           HA       PHE  74  -9.124   1.324   2.044
  527   1HB   PHE  74           HB2      PHE  74 -10.962   3.452   1.596
  528   2HB   PHE  74           HB3      PHE  74  -9.788   3.994   2.788
  529    HD1  PHE  74           HD1      PHE  74 -10.273   4.897  -0.153
  530    HD2  PHE  74           HD2      PHE  74  -7.479   2.286   1.709
  531    HE1  PHE  74           HE1      PHE  74  -8.656   5.350  -1.947
  532    HE2  PHE  74           HE2      PHE  74  -5.854   2.730  -0.082
  533    HZ   PHE  74           HZ       PHE  74  -6.438   4.266  -1.917
  534    H    LYS  75           HN       LYS  75 -11.481   2.101   4.485
  535    HA   LYS  75           HA       LYS  75  -9.799   2.963   6.556
  536   1HB   LYS  75           HB2      LYS  75 -11.669   2.397   8.037
  537   2HB   LYS  75           HB3      LYS  75 -12.195   3.275   6.611
  538   1HG   LYS  75           HG2      LYS  75 -12.942   1.157   5.584
  539   2HG   LYS  75           HG3      LYS  75 -12.449   0.306   7.061
  540   1HD   LYS  75           HD2      LYS  75 -14.824   0.717   7.172
  541   2HD   LYS  75           HD3      LYS  75 -14.011   1.738   8.360
  542   1HE   LYS  75           HE2      LYS  75 -14.256   3.670   6.994
  543   2HE   LYS  75           HE3      LYS  75 -14.782   2.707   5.614
  544   1HZ   LYS  75           HZ1      LYS  75 -16.312   3.664   7.876
  545   2HZ   LYS  75           HZ2      LYS  75 -16.607   2.042   7.470
  546   3HZ   LYS  75           HZ3      LYS  75 -16.820   3.259   6.309
  547    H    TYR  76           HN       TYR  76 -10.415  -0.229   5.315
  548    HA   TYR  76           HA       TYR  76  -9.501  -1.611   7.678
  549   1HB   TYR  76           HB2      TYR  76  -9.872  -2.582   4.836
  550   2HB   TYR  76           HB3      TYR  76  -9.535  -3.615   6.221
  551    HD1  TYR  76           HD1      TYR  76 -12.075  -2.417   4.151
  552    HD2  TYR  76           HD2      TYR  76 -11.243  -3.272   8.239
  553    HE1  TYR  76           HE1      TYR  76 -14.486  -2.604   4.608
  554    HE2  TYR  76           HE2      TYR  76 -13.652  -3.461   8.693
  555    HH   TYR  76           HH       TYR  76 -15.865  -2.315   7.347
  556    H    PHE  77           HN       PHE  77  -7.983   0.115   5.241
  557    HA   PHE  77           HA       PHE  77  -5.465  -1.393   5.487
  558   1HB   PHE  77           HB2      PHE  77  -6.638   0.392   3.401
  559   2HB   PHE  77           HB3      PHE  77  -4.899   0.382   3.584
  560    HD1  PHE  77           HD1      PHE  77  -7.203  -0.697   1.502
  561    HD2  PHE  77           HD2      PHE  77  -4.214  -2.386   4.014
  562    HE1  PHE  77           HE1      PHE  77  -7.068  -2.650   0.020
  563    HE2  PHE  77           HE2      PHE  77  -4.082  -4.347   2.535
  564    HZ   PHE  77           HZ       PHE  77  -5.501  -4.476   0.531
  565    H    LYS  78           HN       LYS  78  -7.088   1.463   6.411
  566    HA   LYS  78           HA       LYS  78  -5.205   3.432   6.505
  567   1HB   LYS  78           HB2      LYS  78  -7.745   3.006   7.582
  568   2HB   LYS  78           HB3      LYS  78  -6.732   3.463   8.945
  569   1HG   LYS  78           HG2      LYS  78  -7.310   5.537   8.296
  570   2HG   LYS  78           HG3      LYS  78  -5.948   5.321   7.195
  571   1HD   LYS  78           HD2      LYS  78  -7.611   4.447   5.508
  572   2HD   LYS  78           HD3      LYS  78  -8.883   4.990   6.599
  573   1HE   LYS  78           HE2      LYS  78  -6.795   6.970   5.994
  574   2HE   LYS  78           HE3      LYS  78  -7.821   6.514   4.638
  575   1HZ   LYS  78           HZ1      LYS  78  -8.426   8.108   6.956
  576   2HZ   LYS  78           HZ2      LYS  78  -9.587   6.913   6.665
  577   3HZ   LYS  78           HZ3      LYS  78  -9.204   8.046   5.448
  578    H    ALA  79           HN       ALA  79  -5.427   0.720   8.785
  579    HA   ALA  79           HA       ALA  79  -3.588   1.865  10.650
  580   1HB   ALA  79           HB1      ALA  79  -3.849  -1.080  10.490
  581   2HB   ALA  79           HB2      ALA  79  -3.891  -0.011  11.892
  582   3HB   ALA  79           HB3      ALA  79  -5.308  -0.157  10.854
  583    H    THR  80           HN       THR  80  -3.288  -0.253   7.874
  584    HA   THR  80           HA       THR  80  -0.520  -0.823   8.311
  585    HB   THR  80           HB       THR  80  -1.571  -1.164   5.588
  586    HG1  THR  80           HG1      THR  80  -2.713  -2.816   7.580
  587   1HG2  THR  80          HG21      THR  80  -0.271  -3.012   5.634
  588   2HG2  THR  80          HG22      THR  80  -0.851  -3.497   7.226
  589   3HG2  THR  80          HG23      THR  80   0.425  -2.287   7.085
  590    H    ILE  81           HN       ILE  81  -2.335   1.353   6.152
  591    HA   ILE  81           HA       ILE  81  -0.141   2.286   4.672
  592    HB   ILE  81           HB       ILE  81  -2.565   3.944   5.390
  593   1HG1  ILE  81          HG12      ILE  81  -2.346   2.224   2.938
  594   2HG1  ILE  81          HG13      ILE  81  -3.017   1.586   4.436
  595   1HG2  ILE  81          HG21      ILE  81  -0.375   4.192   3.416
  596   2HG2  ILE  81          HG22      ILE  81  -1.996   4.586   2.844
  597   3HG2  ILE  81          HG23      ILE  81  -1.319   5.444   4.228
  598   1HD1  ILE  81          HD11      ILE  81  -4.988   2.494   3.956
  599   2HD1  ILE  81          HD12      ILE  81  -4.249   4.093   3.857
  600   3HD1  ILE  81          HD13      ILE  81  -4.324   3.062   2.426
  601    H    ALA  82           HN       ALA  82  -1.388   3.219   7.818
  602    HA   ALA  82           HA       ALA  82   0.240   5.559   8.098
  603   1HB   ALA  82           HB1      ALA  82  -1.244   3.945  10.173
  604   2HB   ALA  82           HB2      ALA  82  -0.517   5.530  10.441
  605   3HB   ALA  82           HB3      ALA  82  -1.863   5.352   9.312
  606    H    ASP  83           HN       ASP  83   0.629   2.168   8.730
  607    HA   ASP  83           HA       ASP  83   2.918   2.484  10.470
  608   1HB   ASP  83           HB2      ASP  83   1.126   0.527  10.292
  609   2HB   ASP  83           HB3      ASP  83   2.294  -0.105   9.132
  610    H    LEU  84           HN       LEU  84   2.358   1.363   7.162
  611    HA   LEU  84           HA       LEU  84   5.014   0.753   6.532
  612   1HB   LEU  84           HB2      LEU  84   2.792   1.647   4.700
  613   2HB   LEU  84           HB3      LEU  84   4.292   0.894   4.187
  614    HG   LEU  84           HG       LEU  84   2.533  -0.539   6.128
  615   1HD1  LEU  84          HD11      LEU  84   0.837  -0.446   4.673
  616   2HD1  LEU  84          HD12      LEU  84   1.861   0.165   3.377
  617   3HD1  LEU  84          HD13      LEU  84   1.800  -1.566   3.705
  618   1HD2  LEU  84          HD21      LEU  84   4.002  -2.157   5.769
  619   2HD2  LEU  84          HD22      LEU  84   3.691  -2.099   4.032
  620   3HD2  LEU  84          HD23      LEU  84   4.925  -1.056   4.744
  621    H    SER  85           HN       SER  85   3.342   3.841   6.581
  622    HA   SER  85           HA       SER  85   5.191   5.230   4.939
  623   1HB   SER  85           HB2      SER  85   4.133   7.193   6.478
  624   2HB   SER  85           HB3      SER  85   3.311   6.492   5.084
  625    HG   SER  85           HG       SER  85   1.974   5.426   6.370
  626    H    LYS  86           HN       LYS  86   5.166   4.349   8.307
  627    HA   LYS  86           HA       LYS  86   7.364   6.166   8.923
  628   1HB   LYS  86           HB2      LYS  86   5.304   4.912  10.439
  629   2HB   LYS  86           HB3      LYS  86   6.854   4.367  11.062
  630   1HG   LYS  86           HG2      LYS  86   7.320   6.353  11.975
  631   2HG   LYS  86           HG3      LYS  86   6.758   7.240  10.556
  632   1HD   LYS  86           HD2      LYS  86   4.831   5.944  12.455
  633   2HD   LYS  86           HD3      LYS  86   5.488   7.552  12.761
  634   1HE   LYS  86           HE2      LYS  86   4.165   8.497  11.233
  635   2HE   LYS  86           HE3      LYS  86   4.551   7.264  10.033
  636   1HZ   LYS  86           HZ1      LYS  86   2.408   7.255  12.063
  637   2HZ   LYS  86           HZ2      LYS  86   2.980   5.796  11.416
  638   3HZ   LYS  86           HZ3      LYS  86   2.297   6.968  10.394
  639    H    LYS  87           HN       LYS  87   7.083   3.218   7.530
  640    HA   LYS  87           HA       LYS  87   9.637   2.257   8.634
  641   1HB   LYS  87           HB2      LYS  87   7.650   0.663   7.019
  642   2HB   LYS  87           HB3      LYS  87   9.012   0.055   7.953
  643   1HG   LYS  87           HG2      LYS  87   7.019   1.607   9.461
  644   2HG   LYS  87           HG3      LYS  87   6.455   0.061   8.829
  645   1HD   LYS  87           HD2      LYS  87   7.318  -0.746  10.745
  646   2HD   LYS  87           HD3      LYS  87   8.851  -0.655   9.879
  647   1HE   LYS  87           HE2      LYS  87   8.692   1.863  10.823
  648   2HE   LYS  87           HE3      LYS  87   7.827   0.988  12.092
  649   1HZ   LYS  87           HZ1      LYS  87  10.142   1.094  12.634
  650   2HZ   LYS  87           HZ2      LYS  87  10.587   0.471  11.123
  651   3HZ   LYS  87           HZ3      LYS  87   9.770  -0.511  12.239
  652    H    ARG  88           HN       ARG  88   7.920   3.180   5.733
  653    HA   ARG  88           HA       ARG  88  10.043   2.355   3.958
  654   1HB   ARG  88           HB2      ARG  88   7.366   2.775   3.644
  655   2HB   ARG  88           HB3      ARG  88   8.032   4.255   2.963
  656   1HG   ARG  88           HG2      ARG  88   9.599   2.384   1.780
  657   2HG   ARG  88           HG3      ARG  88   8.070   1.513   1.932
  658   1HD   ARG  88           HD2      ARG  88   8.144   2.665  -0.184
  659   2HD   ARG  88           HD3      ARG  88   6.913   3.393   0.845
  660    HE   ARG  88           HE       ARG  88   9.507   4.679   0.930
  661   1HH1  ARG  88          HH12      ARG  88   6.361   4.561  -0.599
  662   2HH1  ARG  88          HH11      ARG  88   6.420   6.204  -1.154
  663   1HH2  ARG  88          HH22      ARG  88   9.624   6.822   0.138
  664   2HH2  ARG  88          HH21      ARG  88   8.280   7.497  -0.726
  665    H    SER  89           HN       SER  89   9.759   4.870   6.067
  666    HA   SER  89           HA       SER  89  10.712   7.021   4.426
  667   1HB   SER  89           HB2      SER  89  11.390   7.528   7.115
  668   2HB   SER  89           HB3      SER  89   9.972   8.121   6.249
  669    HG   SER  89           HG       SER  89   9.154   7.021   7.944
  670    H    SER  90           HN       SER  90  12.090   4.535   6.448
  671    HA   SER  90           HA       SER  90  14.794   5.557   6.004
  672   1HB   SER  90           HB2      SER  90  14.239   3.145   7.672
  673   2HB   SER  90           HB3      SER  90  15.416   4.440   7.921
  674    HG   SER  90           HG       SER  90  13.602   5.819   8.418
  675    H    GLU  91           HN       GLU  91  15.516   4.914   4.071
  676    HA   GLU  91           HA       GLU  91  15.182   2.095   3.293
  677   1HB   GLU  91           HB2      GLU  91  14.240   3.899   1.785
  678   2HB   GLU  91           HB3      GLU  91  15.890   4.438   1.509
  679   1HG   GLU  91           HG2      GLU  91  15.251   3.090  -0.327
  680   2HG   GLU  91           HG3      GLU  91  16.400   2.163   0.631
  Start of MODEL   14
    1    H    GLU  11           HN       GLU  11  16.170  -2.788   2.714
    2    HA   GLU  11           HA       GLU  11  15.191  -0.773   2.815
    3   1HB   GLU  11           HB2      GLU  11  18.006   0.019   2.723
    4   2HB   GLU  11           HB3      GLU  11  16.819   1.264   2.381
    5   1HG   GLU  11           HG2      GLU  11  17.481  -0.085   4.900
    6   2HG   GLU  11           HG3      GLU  11  16.879   1.543   4.606
    7    H    LEU  12           HN       LEU  12  17.012  -1.704   0.083
    8    HA   LEU  12           HA       LEU  12  16.222   0.303  -1.743
    9   1HB   LEU  12           HB2      LEU  12  16.842  -2.538  -2.504
   10   2HB   LEU  12           HB3      LEU  12  17.120  -1.078  -3.435
   11    HG   LEU  12           HG       LEU  12  18.570  -1.232  -0.870
   12   1HD1  LEU  12          HD11      LEU  12  19.757  -2.811  -3.092
   13   2HD1  LEU  12          HD12      LEU  12  20.012  -2.936  -1.355
   14   3HD1  LEU  12          HD13      LEU  12  18.540  -3.588  -2.079
   15   1HD2  LEU  12          HD21      LEU  12  20.187  -0.033  -1.999
   16   2HD2  LEU  12          HD22      LEU  12  19.740  -0.705  -3.568
   17   3HD2  LEU  12          HD23      LEU  12  18.706   0.497  -2.797
   18    H    ASN  13           HN       ASN  13  14.852  -2.840  -0.897
   19    HA   ASN  13           HA       ASN  13  12.652  -2.401  -2.743
   20   1HB   ASN  13           HB2      ASN  13  13.920  -4.727  -1.557
   21   2HB   ASN  13           HB3      ASN  13  12.171  -4.780  -1.362
   22   1HD2  ASN  13          HD21      ASN  13  14.575  -3.995  -3.845
   23   2HD2  ASN  13          HD22      ASN  13  13.749  -4.789  -5.136
   24    H    ASN  14           HN       ASN  14  12.836  -0.673  -0.443
   25    HA   ASN  14           HA       ASN  14  11.108  -1.563   1.616
   26   1HB   ASN  14           HB2      ASN  14  12.783   0.330   1.779
   27   2HB   ASN  14           HB3      ASN  14  11.623   1.316   0.894
   28   1HD2  ASN  14          HD21      ASN  14  12.749   0.778   3.858
   29   2HD2  ASN  14          HD22      ASN  14  11.329   1.093   4.803
   30    H    LEU  15           HN       LEU  15  10.532   0.489  -1.252
   31    HA   LEU  15           HA       LEU  15   7.790   0.893  -0.613
   32   1HB   LEU  15           HB2      LEU  15   9.470   2.056  -2.364
   33   2HB   LEU  15           HB3      LEU  15   8.585   1.002  -3.456
   34    HG   LEU  15           HG       LEU  15   6.961   2.629  -1.578
   35   1HD1  LEU  15          HD11      LEU  15   8.975   3.910  -2.971
   36   2HD1  LEU  15          HD12      LEU  15   7.555   4.091  -4.003
   37   3HD1  LEU  15          HD13      LEU  15   7.507   4.652  -2.329
   38   1HD2  LEU  15          HD21      LEU  15   6.750   1.452  -4.285
   39   2HD2  LEU  15          HD22      LEU  15   5.573   1.497  -2.969
   40   3HD2  LEU  15          HD23      LEU  15   5.843   2.929  -3.962
   41    H    ARG  16           HN       ARG  16   9.539  -1.561  -2.425
   42    HA   ARG  16           HA       ARG  16   7.238  -2.731  -3.615
   43   1HB   ARG  16           HB2      ARG  16   9.776  -3.109  -4.160
   44   2HB   ARG  16           HB3      ARG  16   9.656  -4.364  -2.936
   45   1HG   ARG  16           HG2      ARG  16   8.927  -5.725  -4.513
   46   2HG   ARG  16           HG3      ARG  16   7.456  -4.757  -4.591
   47   1HD   ARG  16           HD2      ARG  16   9.832  -3.796  -6.090
   48   2HD   ARG  16           HD3      ARG  16   8.981  -5.201  -6.726
   49    HE   ARG  16           HE       ARG  16   7.807  -2.518  -6.339
   50   1HH1  ARG  16          HH12      ARG  16   7.795  -5.683  -7.880
   51   2HH1  ARG  16          HH11      ARG  16   6.504  -5.271  -8.971
   52   1HH2  ARG  16          HH22      ARG  16   6.117  -2.008  -7.773
   53   2HH2  ARG  16          HH21      ARG  16   5.552  -3.197  -8.910
   54    H    MET  17           HN       MET  17   8.896  -3.074  -0.561
   55    HA   MET  17           HA       MET  17   7.529  -5.365   0.396
   56   1HB   MET  17           HB2      MET  17   9.633  -4.046   1.326
   57   2HB   MET  17           HB3      MET  17   8.405  -3.209   2.267
   58   1HG   MET  17           HG2      MET  17   8.400  -4.854   3.721
   59   2HG   MET  17           HG3      MET  17   7.863  -5.966   2.465
   60   1HE   MET  17           HE1      MET  17  11.209  -4.518   4.268
   61   2HE   MET  17           HE2      MET  17  10.069  -5.559   5.121
   62   3HE   MET  17           HE3      MET  17  11.670  -6.165   4.692
   63    H    THR  18           HN       THR  18   6.951  -1.889   0.625
   64    HA   THR  18           HA       THR  18   4.669  -1.935   2.259
   65    HB   THR  18           HB       THR  18   5.526   0.016   0.107
   66    HG1  THR  18           HG1      THR  18   6.027   1.223   2.167
   67   1HG2  THR  18          HG21      THR  18   4.029   1.638   1.190
   68   2HG2  THR  18          HG22      THR  18   3.419   0.368   2.252
   69   3HG2  THR  18          HG23      THR  18   3.138   0.277   0.512
   70    H    TYR  19           HN       TYR  19   5.038  -2.082  -1.260
   71    HA   TYR  19           HA       TYR  19   2.282  -2.110  -1.865
   72   1HB   TYR  19           HB2      TYR  19   3.750  -1.556  -3.638
   73   2HB   TYR  19           HB3      TYR  19   4.742  -2.988  -3.377
   74    HD1  TYR  19           HD1      TYR  19   1.313  -1.955  -4.432
   75    HD2  TYR  19           HD2      TYR  19   4.369  -4.912  -4.670
   76    HE1  TYR  19           HE1      TYR  19   0.035  -3.136  -6.171
   77    HE2  TYR  19           HE2      TYR  19   3.097  -6.092  -6.408
   78    HH   TYR  19           HH       TYR  19   0.848  -6.304  -7.241
   79    H    GLU  20           HN       GLU  20   4.643  -4.733  -1.374
   80    HA   GLU  20           HA       GLU  20   2.805  -6.820  -1.954
   81   1HB   GLU  20           HB2      GLU  20   5.537  -6.629  -1.342
   82   2HB   GLU  20           HB3      GLU  20   4.835  -7.669  -0.105
   83   1HG   GLU  20           HG2      GLU  20   4.002  -9.181  -1.732
   84   2HG   GLU  20           HG3      GLU  20   4.388  -8.070  -3.048
   85    H    ARG  21           HN       ARG  21   3.674  -5.136   1.021
   86    HA   ARG  21           HA       ARG  21   2.372  -6.896   2.801
   87   1HB   ARG  21           HB2      ARG  21   3.958  -4.763   3.138
   88   2HB   ARG  21           HB3      ARG  21   2.403  -4.021   3.443
   89   1HG   ARG  21           HG2      ARG  21   2.896  -6.565   4.824
   90   2HG   ARG  21           HG3      ARG  21   3.883  -5.204   5.343
   91   1HD   ARG  21           HD2      ARG  21   1.947  -3.913   5.867
   92   2HD   ARG  21           HD3      ARG  21   0.883  -5.095   5.109
   93    HE   ARG  21           HE       ARG  21   1.286  -6.584   6.929
   94   1HH1  ARG  21          HH12      ARG  21   2.613  -3.369   7.389
   95   2HH1  ARG  21          HH11      ARG  21   2.779  -3.531   9.109
   96   1HH2  ARG  21          HH22      ARG  21   1.482  -6.803   9.212
   97   2HH2  ARG  21          HH21      ARG  21   2.099  -5.470  10.158
   98    H    LEU  22           HN       LEU  22   1.253  -4.266   0.790
   99    HA   LEU  22           HA       LEU  22  -1.394  -4.123   1.948
  100   1HB   LEU  22           HB2      LEU  22  -0.107  -3.042  -0.544
  101   2HB   LEU  22           HB3      LEU  22  -1.842  -2.959  -0.331
  102    HG   LEU  22           HG       LEU  22  -0.107  -1.860   1.831
  103   1HD1  LEU  22          HD11      LEU  22   0.951  -0.552   0.352
  104   2HD1  LEU  22          HD12      LEU  22  -0.201  -0.911  -0.938
  105   3HD1  LEU  22          HD13      LEU  22  -0.588   0.311   0.270
  106   1HD2  LEU  22          HD21      LEU  22  -2.217  -1.452   2.506
  107   2HD2  LEU  22          HD22      LEU  22  -2.177  -0.149   1.322
  108   3HD2  LEU  22          HD23      LEU  22  -2.886  -1.710   0.890
  109    H    ARG  23           HN       ARG  23   0.217  -5.864  -0.632
  110    HA   ARG  23           HA       ARG  23  -2.144  -6.867  -1.875
  111   1HB   ARG  23           HB2      ARG  23   0.214  -6.742  -2.866
  112   2HB   ARG  23           HB3      ARG  23   0.575  -8.173  -1.914
  113   1HG   ARG  23           HG2      ARG  23  -0.880  -9.513  -3.150
  114   2HG   ARG  23           HG3      ARG  23  -1.729  -8.122  -3.827
  115   1HD   ARG  23           HD2      ARG  23   0.136  -7.551  -5.200
  116   2HD   ARG  23           HD3      ARG  23   1.168  -8.727  -4.386
  117    HE   ARG  23           HE       ARG  23  -0.238 -10.477  -5.404
  118   1HH1  ARG  23          HH12      ARG  23  -0.298  -7.254  -6.761
  119   2HH1  ARG  23          HH11      ARG  23  -0.749  -7.781  -8.351
  120   1HH2  ARG  23          HH22      ARG  23  -0.887 -11.189  -7.489
  121   2HH2  ARG  23          HH21      ARG  23  -1.085 -10.014  -8.759
  122    H    GLU  24           HN       GLU  24   0.058  -8.061   0.625
  123    HA   GLU  24           HA       GLU  24  -1.160 -10.611   0.906
  124   1HB   GLU  24           HB2      GLU  24   1.122  -9.468   1.864
  125   2HB   GLU  24           HB3      GLU  24   0.105  -9.444   3.297
  126   1HG   GLU  24           HG2      GLU  24   1.492 -11.449   3.193
  127   2HG   GLU  24           HG3      GLU  24  -0.226 -11.827   3.169
  128    H    LEU  25           HN       LEU  25  -1.681  -7.480   2.365
  129    HA   LEU  25           HA       LEU  25  -3.544  -8.396   4.322
  130   1HB   LEU  25           HB2      LEU  25  -2.082  -6.129   3.980
  131   2HB   LEU  25           HB3      LEU  25  -3.661  -5.577   3.456
  132    HG   LEU  25           HG       LEU  25  -2.675  -5.840   6.101
  133   1HD1  LEU  25          HD11      LEU  25  -5.188  -5.106   6.466
  134   2HD1  LEU  25          HD12      LEU  25  -3.960  -4.008   5.831
  135   3HD1  LEU  25          HD13      LEU  25  -5.076  -4.822   4.732
  136   1HD2  LEU  25          HD21      LEU  25  -4.852  -7.769   5.409
  137   2HD2  LEU  25          HD22      LEU  25  -3.419  -8.029   6.405
  138   3HD2  LEU  25          HD23      LEU  25  -4.749  -7.042   7.012
  139    H    SER  26           HN       SER  26  -3.704  -7.174   1.056
  140    HA   SER  26           HA       SER  26  -6.458  -6.653   0.907
  141   1HB   SER  26           HB2      SER  26  -4.195  -6.837  -0.921
  142   2HB   SER  26           HB3      SER  26  -5.677  -7.427  -1.647
  143    HG   SER  26           HG       SER  26  -5.088  -4.871  -0.646
  144    H    LEU  27           HN       LEU  27  -4.577  -9.601   0.437
  145    HA   LEU  27           HA       LEU  27  -6.839 -11.120  -0.496
  146   1HB   LEU  27           HB2      LEU  27  -3.990 -11.558  -0.049
  147   2HB   LEU  27           HB3      LEU  27  -4.968 -12.933   0.432
  148    HG   LEU  27           HG       LEU  27  -6.070 -12.631  -1.920
  149   1HD1  LEU  27          HD11      LEU  27  -3.375 -11.402  -2.435
  150   2HD1  LEU  27          HD12      LEU  27  -4.643 -11.741  -3.609
  151   3HD1  LEU  27          HD13      LEU  27  -4.889 -10.496  -2.382
  152   1HD2  LEU  27          HD21      LEU  27  -3.657 -14.028  -1.028
  153   2HD2  LEU  27          HD22      LEU  27  -5.077 -14.632  -1.885
  154   3HD2  LEU  27          HD23      LEU  27  -3.781 -13.837  -2.776
  155    H    ASN  28           HN       ASN  28  -5.258 -10.433   2.518
  156    HA   ASN  28           HA       ASN  28  -6.483 -12.449   4.084
  157   1HB   ASN  28           HB2      ASN  28  -4.438 -10.780   4.526
  158   2HB   ASN  28           HB3      ASN  28  -5.708  -9.861   5.332
  159   1HD2  ASN  28          HD21      ASN  28  -3.395 -12.148   5.765
  160   2HD2  ASN  28          HD22      ASN  28  -4.007 -12.913   7.196
  161    H    LEU  29           HN       LEU  29  -7.167  -8.941   3.866
  162    HA   LEU  29           HA       LEU  29  -9.544  -9.122   5.402
  163   1HB   LEU  29           HB2      LEU  29  -8.676  -6.999   3.444
  164   2HB   LEU  29           HB3      LEU  29 -10.000  -6.848   4.584
  165    HG   LEU  29           HG       LEU  29  -7.154  -7.321   5.442
  166   1HD1  LEU  29          HD11      LEU  29  -8.111  -5.073   4.173
  167   2HD1  LEU  29          HD12      LEU  29  -8.211  -4.673   5.890
  168   3HD1  LEU  29          HD13      LEU  29  -6.673  -5.178   5.189
  169   1HD2  LEU  29          HD21      LEU  29  -8.895  -7.908   7.061
  170   2HD2  LEU  29          HD22      LEU  29  -7.951  -6.514   7.590
  171   3HD2  LEU  29          HD23      LEU  29  -9.567  -6.284   6.922
  172    H    GLY  30           HN       GLY  30  -8.836  -9.379   1.986
  173   1HA   GLY  30           HA1      GLY  30 -11.427  -9.043   0.980
  174   2HA   GLY  30           HA2      GLY  30 -10.149  -9.957   0.192
  175    H    ASN  31           HN       ASN  31  -9.810 -11.872   2.312
  176    HA   ASN  31           HA       ASN  31 -12.056 -13.594   1.680
  177   1HB   ASN  31           HB2      ASN  31 -10.455 -15.165   1.715
  178   2HB   ASN  31           HB3      ASN  31  -9.285 -13.934   2.146
  179   1HD2  ASN  31          HD21      ASN  31 -11.157 -16.602   3.250
  180   2HD2  ASN  31          HD22      ASN  31 -10.490 -16.684   4.851
  181    H    ARG  32           HN       ARG  32 -11.111 -11.535   4.210
  182    HA   ARG  32           HA       ARG  32 -12.618 -12.982   6.249
  183   1HB   ARG  32           HB2      ARG  32 -10.361 -11.697   6.590
  184   2HB   ARG  32           HB3      ARG  32 -11.388 -10.272   6.670
  185   1HG   ARG  32           HG2      ARG  32 -12.592 -11.206   8.561
  186   2HG   ARG  32           HG3      ARG  32 -11.660 -12.699   8.435
  187   1HD   ARG  32           HD2      ARG  32  -9.920 -11.829   9.535
  188   2HD   ARG  32           HD3      ARG  32  -9.991 -10.321   8.627
  189    HE   ARG  32           HE       ARG  32 -12.049 -10.645  10.636
  190   1HH1  ARG  32          HH12      ARG  32  -8.843  -9.395   9.929
  191   2HH1  ARG  32          HH11      ARG  32  -8.873  -8.254  11.243
  192   1HH2  ARG  32          HH22      ARG  32 -12.086  -9.152  12.336
  193   2HH2  ARG  32          HH21      ARG  32 -10.716  -8.119  12.615
  194    H    MET  33           HN       MET  33 -13.261 -10.962   3.779
  195    HA   MET  33           HA       MET  33 -15.359  -9.464   5.144
  196   1HB   MET  33           HB2      MET  33 -13.715  -8.985   2.846
  197   2HB   MET  33           HB3      MET  33 -15.398  -8.972   2.348
  198   1HG   MET  33           HG2      MET  33 -14.373  -6.765   3.045
  199   2HG   MET  33           HG3      MET  33 -15.930  -7.192   3.752
  200   1HE   MET  33           HE1      MET  33 -12.206  -6.811   4.116
  201   2HE   MET  33           HE2      MET  33 -12.914  -5.327   4.759
  202   3HE   MET  33           HE3      MET  33 -12.005  -6.403   5.822
  203    H    VAL  34           HN       VAL  34 -17.530  -9.581   4.401
  204    HA   VAL  34           HA       VAL  34 -18.160 -12.099   3.013
  205    HB   VAL  34           HB       VAL  34 -20.128 -10.891   4.908
  206   1HG1  VAL  34          HG11      VAL  34 -20.486 -13.412   5.279
  207   2HG1  VAL  34          HG12      VAL  34 -20.963 -12.726   3.728
  208   3HG1  VAL  34          HG13      VAL  34 -19.453 -13.624   3.868
  209   1HG2  VAL  34          HG21      VAL  34 -18.464 -10.887   6.473
  210   2HG2  VAL  34          HG22      VAL  34 -19.019 -12.558   6.623
  211   3HG2  VAL  34          HG23      VAL  34 -17.570 -12.187   5.687
  212    HA   PRO  35           HA       PRO  35 -18.815 -12.830   1.557
  213   1HB   PRO  35           HB2      PRO  35 -19.060 -12.933  -1.133
  214   2HB   PRO  35           HB3      PRO  35 -20.429 -13.175  -0.047
  215   1HG   PRO  35           HG2      PRO  35 -19.751 -10.847  -1.740
  216   2HG   PRO  35           HG3      PRO  35 -21.334 -11.410  -1.177
  217   1HD   PRO  35           HD2      PRO  35 -19.788  -9.296  -0.106
  218   2HD   PRO  35           HD3      PRO  35 -21.273  -9.985   0.570
  219    HA   PRO  36           HA       PRO  36 -14.550 -12.225   0.674
  220   1HB   PRO  36           HB2      PRO  36 -14.775 -14.365  -1.392
  221   2HB   PRO  36           HB3      PRO  36 -13.618 -14.192  -0.065
  222   1HG   PRO  36           HG2      PRO  36 -15.623 -15.913   0.140
  223   2HG   PRO  36           HG3      PRO  36 -15.136 -14.933   1.534
  224   1HD   PRO  36           HD2      PRO  36 -17.504 -14.618  -0.267
  225   2HD   PRO  36           HD3      PRO  36 -17.365 -14.323   1.479
  226    H    VAL  37           HN       VAL  37 -13.827 -10.558  -0.321
  227    HA   VAL  37           HA       VAL  37 -14.866  -9.607  -2.810
  228    HB   VAL  37           HB       VAL  37 -12.331  -8.498  -1.663
  229   1HG1  VAL  37          HG11      VAL  37 -13.242  -7.511  -3.681
  230   2HG1  VAL  37          HG12      VAL  37 -14.806  -7.285  -2.897
  231   3HG1  VAL  37          HG13      VAL  37 -13.403  -6.372  -2.344
  232   1HG2  VAL  37          HG21      VAL  37 -13.831  -7.076  -0.154
  233   2HG2  VAL  37          HG22      VAL  37 -15.044  -8.339  -0.365
  234   3HG2  VAL  37          HG23      VAL  37 -13.488  -8.722   0.375
  235    H    GLY  38           HN       GLY  38 -11.891 -11.182  -1.767
  236   1HA   GLY  38           HA1      GLY  38 -10.339 -12.351  -3.025
  237   2HA   GLY  38           HA2      GLY  38 -11.278 -11.986  -4.473
  238    H    ASN  39           HN       ASN  39 -11.210  -9.697  -5.181
  239    HA   ASN  39           HA       ASN  39  -8.454  -8.704  -5.047
  240   1HB   ASN  39           HB2      ASN  39  -9.507  -9.085  -7.294
  241   2HB   ASN  39           HB3      ASN  39 -10.694  -7.841  -6.906
  242   1HD2  ASN  39          HD21      ASN  39 -10.253  -6.034  -7.942
  243   2HD2  ASN  39          HD22      ASN  39  -8.680  -5.362  -8.197
  244    H    PHE  40           HN       PHE  40  -8.992  -8.073  -2.825
  245    HA   PHE  40           HA       PHE  40 -10.835  -6.267  -1.929
  246   1HB   PHE  40           HB2      PHE  40  -9.206  -7.540  -0.561
  247   2HB   PHE  40           HB3      PHE  40  -7.929  -6.476  -1.117
  248    HD1  PHE  40           HD1      PHE  40  -7.185  -5.414   0.835
  249    HD2  PHE  40           HD2      PHE  40 -11.341  -5.617  -0.031
  250    HE1  PHE  40           HE1      PHE  40  -7.649  -3.893   2.712
  251    HE2  PHE  40           HE2      PHE  40 -11.832  -4.106   1.839
  252    HZ   PHE  40           HZ       PHE  40  -9.805  -3.304   3.311
  253    H    MET  41           HN       MET  41  -7.490  -5.187  -2.400
  254    HA   MET  41           HA       MET  41  -8.556  -2.668  -3.478
  255   1HB   MET  41           HB2      MET  41  -7.142  -2.735  -1.326
  256   2HB   MET  41           HB3      MET  41  -5.784  -3.103  -2.374
  257   1HG   MET  41           HG2      MET  41  -5.883  -0.752  -1.837
  258   2HG   MET  41           HG3      MET  41  -6.111  -1.019  -3.565
  259   1HE   MET  41           HE1      MET  41  -9.035   0.850  -0.619
  260   2HE   MET  41           HE2      MET  41  -8.464  -0.771  -0.234
  261   3HE   MET  41           HE3      MET  41  -7.308   0.551  -0.424
  262    HA   PRO  42           HA       PRO  42  -7.135  -4.056  -7.461
  263   1HB   PRO  42           HB2      PRO  42  -6.948  -1.102  -7.866
  264   2HB   PRO  42           HB3      PRO  42  -7.705  -2.333  -8.883
  265   1HG   PRO  42           HG2      PRO  42  -9.210  -0.767  -7.372
  266   2HG   PRO  42           HG3      PRO  42  -9.582  -2.499  -7.509
  267   1HD   PRO  42           HD2      PRO  42  -8.276  -1.010  -5.268
  268   2HD   PRO  42           HD3      PRO  42  -9.427  -2.362  -5.210
  269    H    ASP  43           HN       ASP  43  -5.213  -4.296  -8.502
  270    HA   ASP  43           HA       ASP  43  -2.805  -3.996  -7.163
  271   1HB   ASP  43           HB2      ASP  43  -2.699  -5.537  -8.876
  272   2HB   ASP  43           HB3      ASP  43  -3.587  -4.514  -9.999
  273    H    SER  44           HN       SER  44  -4.216  -1.895  -9.642
  274    HA   SER  44           HA       SER  44  -2.092  -0.094  -9.894
  275   1HB   SER  44           HB2      SER  44  -4.640   1.206 -10.234
  276   2HB   SER  44           HB3      SER  44  -3.470   0.721 -11.462
  277    HG   SER  44           HG       SER  44  -5.730  -0.284 -11.377
  278    H    ILE  45           HN       ILE  45  -4.874  -0.155  -7.698
  279    HA   ILE  45           HA       ILE  45  -4.338   2.393  -6.526
  280    HB   ILE  45           HB       ILE  45  -5.916   0.130  -5.303
  281   1HG1  ILE  45          HG12      ILE  45  -6.588   0.877  -7.667
  282   2HG1  ILE  45          HG13      ILE  45  -7.843   0.889  -6.432
  283   1HG2  ILE  45          HG21      ILE  45  -7.124   2.378  -4.450
  284   2HG2  ILE  45          HG22      ILE  45  -5.813   1.594  -3.567
  285   3HG2  ILE  45          HG23      ILE  45  -5.475   2.978  -4.606
  286   1HD1  ILE  45          HD11      ILE  45  -7.376   2.923  -8.125
  287   2HD1  ILE  45          HD12      ILE  45  -8.087   3.117  -6.522
  288   3HD1  ILE  45          HD13      ILE  45  -6.365   3.404  -6.759
  289    H    LEU  46           HN       LEU  46  -3.458  -0.937  -5.741
  290    HA   LEU  46           HA       LEU  46  -2.399  -0.441  -3.178
  291   1HB   LEU  46           HB2      LEU  46  -1.588  -2.512  -5.227
  292   2HB   LEU  46           HB3      LEU  46  -1.043  -2.498  -3.564
  293    HG   LEU  46           HG       LEU  46  -3.945  -2.754  -4.349
  294   1HD1  LEU  46          HD11      LEU  46  -2.984  -4.695  -5.219
  295   2HD1  LEU  46          HD12      LEU  46  -1.803  -4.805  -3.915
  296   3HD1  LEU  46          HD13      LEU  46  -3.502  -5.169  -3.604
  297   1HD2  LEU  46          HD21      LEU  46  -2.403  -2.801  -1.810
  298   2HD2  LEU  46          HD22      LEU  46  -3.994  -2.122  -2.152
  299   3HD2  LEU  46          HD23      LEU  46  -3.803  -3.867  -1.965
  300    H    LYS  47           HN       LYS  47  -1.040  -0.132  -6.406
  301    HA   LYS  47           HA       LYS  47   1.640   0.297  -5.580
  302   1HB   LYS  47           HB2      LYS  47   0.099   0.743  -8.095
  303   2HB   LYS  47           HB3      LYS  47   1.720   1.405  -7.944
  304   1HG   LYS  47           HG2      LYS  47   2.520  -0.902  -7.417
  305   2HG   LYS  47           HG3      LYS  47   0.899  -1.485  -7.795
  306   1HD   LYS  47           HD2      LYS  47   1.329  -0.084 -10.015
  307   2HD   LYS  47           HD3      LYS  47   3.010  -0.433  -9.600
  308   1HE   LYS  47           HE2      LYS  47   2.778  -2.475 -10.425
  309   2HE   LYS  47           HE3      LYS  47   1.533  -2.811  -9.223
  310   1HZ   LYS  47           HZ1      LYS  47   0.358  -1.281 -11.228
  311   2HZ   LYS  47           HZ2      LYS  47   0.067  -2.914 -10.864
  312   3HZ   LYS  47           HZ3      LYS  47   1.245  -2.495 -12.007
  313    H    LYS  48           HN       LYS  48  -0.908   2.608  -6.601
  314    HA   LYS  48           HA       LYS  48   0.737   4.885  -6.180
  315   1HB   LYS  48           HB2      LYS  48  -1.544   6.098  -6.042
  316   2HB   LYS  48           HB3      LYS  48  -1.093   5.330  -7.557
  317   1HG   LYS  48           HG2      LYS  48  -2.477   3.391  -6.947
  318   2HG   LYS  48           HG3      LYS  48  -2.971   4.234  -5.478
  319   1HD   LYS  48           HD2      LYS  48  -4.676   4.986  -6.708
  320   2HD   LYS  48           HD3      LYS  48  -3.496   6.095  -7.410
  321   1HE   LYS  48           HE2      LYS  48  -3.473   3.456  -8.648
  322   2HE   LYS  48           HE3      LYS  48  -5.029   4.273  -8.790
  323   1HZ   LYS  48           HZ1      LYS  48  -3.621   6.254  -9.577
  324   2HZ   LYS  48           HZ2      LYS  48  -3.879   4.971 -10.648
  325   3HZ   LYS  48           HZ3      LYS  48  -2.396   5.105  -9.833
  326    H    MET  49           HN       MET  49  -1.544   3.176  -4.108
  327    HA   MET  49           HA       MET  49  -1.434   5.064  -1.997
  328   1HB   MET  49           HB2      MET  49  -3.147   3.855  -1.250
  329   2HB   MET  49           HB3      MET  49  -2.909   2.748  -2.589
  330   1HG   MET  49           HG2      MET  49  -2.138   1.141  -1.266
  331   2HG   MET  49           HG3      MET  49  -1.123   2.253  -0.350
  332   1HE   MET  49           HE1      MET  49  -4.647   1.024  -1.040
  333   2HE   MET  49           HE2      MET  49  -4.093  -0.159   0.144
  334   3HE   MET  49           HE3      MET  49  -5.405   0.948   0.555
  335    H    ALA  50           HN       ALA  50   0.552   2.351  -2.917
  336    HA   ALA  50           HA       ALA  50   1.941   2.238  -0.391
  337   1HB   ALA  50           HB1      ALA  50   2.463   0.226  -1.168
  338   2HB   ALA  50           HB2      ALA  50   1.844   0.634  -2.769
  339   3HB   ALA  50           HB3      ALA  50   3.517   0.996  -2.353
  340    H    ALA  51           HN       ALA  51   2.383   3.801  -3.499
  341    HA   ALA  51           HA       ALA  51   5.102   4.554  -2.987
  342   1HB   ALA  51           HB1      ALA  51   4.242   6.241  -4.958
  343   2HB   ALA  51           HB2      ALA  51   4.931   4.636  -5.220
  344   3HB   ALA  51           HB3      ALA  51   3.183   4.849  -5.159
  345    H    ILE  52           HN       ILE  52   1.952   6.140  -2.789
  346    HA   ILE  52           HA       ILE  52   3.178   8.623  -1.926
  347    HB   ILE  52           HB       ILE  52   0.373   7.790  -2.550
  348   1HG1  ILE  52          HG12      ILE  52   0.930  10.234  -3.721
  349   2HG1  ILE  52          HG13      ILE  52   2.478   9.395  -3.761
  350   1HG2  ILE  52          HG21      ILE  52   0.084  10.438  -1.938
  351   2HG2  ILE  52          HG22      ILE  52  -0.416   9.100  -0.909
  352   3HG2  ILE  52          HG23      ILE  52   1.147   9.881  -0.649
  353   1HD1  ILE  52          HD11      ILE  52  -0.127   8.523  -4.974
  354   2HD1  ILE  52          HD12      ILE  52   1.388   8.904  -5.791
  355   3HD1  ILE  52          HD13      ILE  52   1.263   7.451  -4.800
  356    H    LEU  53           HN       LEU  53   1.335   5.964  -0.602
  357    HA   LEU  53           HA       LEU  53   0.707   5.391   1.487
  358   1HB   LEU  53           HB2      LEU  53   3.408   6.596   1.824
  359   2HB   LEU  53           HB3      LEU  53   2.492   6.204   3.267
  360    HG   LEU  53           HG       LEU  53   3.101   4.219   1.076
  361   1HD1  LEU  53          HD11      LEU  53   4.505   3.333   3.170
  362   2HD1  LEU  53          HD12      LEU  53   5.193   4.356   1.910
  363   3HD1  LEU  53          HD13      LEU  53   4.658   5.069   3.438
  364   1HD2  LEU  53          HD21      LEU  53   2.626   2.903   3.451
  365   2HD2  LEU  53          HD22      LEU  53   1.419   4.192   3.438
  366   3HD2  LEU  53          HD23      LEU  53   1.505   3.053   2.094
  367    HA   PRO  54           HA       PRO  54  -1.155   9.559   2.192
  368   1HB   PRO  54           HB2      PRO  54  -3.705   8.226   1.795
  369   2HB   PRO  54           HB3      PRO  54  -2.990   9.545   0.870
  370   1HG   PRO  54           HG2      PRO  54  -3.323   7.012  -0.103
  371   2HG   PRO  54           HG3      PRO  54  -2.080   8.131  -0.677
  372   1HD   PRO  54           HD2      PRO  54  -1.841   5.829   1.197
  373   2HD   PRO  54           HD3      PRO  54  -0.704   6.407  -0.037
  374    H    MET  55           HN       MET  55  -0.940   9.812   4.327
  375    HA   MET  55           HA       MET  55  -2.030   7.910   6.207
  376   1HB   MET  55           HB2      MET  55  -0.171  10.132   6.262
  377   2HB   MET  55           HB3      MET  55  -1.325  10.242   7.584
  378   1HG   MET  55           HG2      MET  55  -0.274   7.565   7.224
  379   2HG   MET  55           HG3      MET  55   0.980   8.759   7.558
  380   1HE   MET  55           HE1      MET  55  -2.508   7.588  10.316
  381   2HE   MET  55           HE2      MET  55  -2.683   7.968   8.606
  382   3HE   MET  55           HE3      MET  55  -1.811   6.519   9.096
  383    H    ASN  56           HN       ASN  56  -3.082  10.773   4.627
  384    HA   ASN  56           HA       ASN  56  -5.404  10.884   6.431
  385   1HB   ASN  56           HB2      ASN  56  -5.677  13.268   5.557
  386   2HB   ASN  56           HB3      ASN  56  -4.339  12.980   6.661
  387   1HD2  ASN  56          HD21      ASN  56  -2.682  14.210   6.076
  388   2HD2  ASN  56          HD22      ASN  56  -2.114  14.436   4.451
  389    H    ASP  57           HN       ASP  57  -7.365  11.948   5.215
  390    HA   ASP  57           HA       ASP  57  -7.872  10.229   2.938
  391   1HB   ASP  57           HB2      ASP  57  -9.506  11.891   4.767
  392   2HB   ASP  57           HB3      ASP  57 -10.143  11.657   3.143
  393    H    SER  58           HN       SER  58  -6.753  13.378   3.404
  394    HA   SER  58           HA       SER  58  -7.869  14.634   1.098
  395   1HB   SER  58           HB2      SER  58  -5.324  15.743   1.913
  396   2HB   SER  58           HB3      SER  58  -6.935  16.444   2.051
  397    HG   SER  58           HG       SER  58  -5.867  16.108   4.091
  398    H    ALA  59           HN       ALA  59  -4.747  13.099   1.822
  399    HA   ALA  59           HA       ALA  59  -3.553  13.487  -0.710
  400   1HB   ALA  59           HB1      ALA  59  -2.800  12.344   1.729
  401   2HB   ALA  59           HB2      ALA  59  -2.648  11.053   0.540
  402   3HB   ALA  59           HB3      ALA  59  -1.791  12.576   0.302
  403    H    PHE  60           HN       PHE  60  -5.908  11.286   0.447
  404    HA   PHE  60           HA       PHE  60  -5.604   9.168  -1.369
  405   1HB   PHE  60           HB2      PHE  60  -7.722  10.148   0.445
  406   2HB   PHE  60           HB3      PHE  60  -8.260   9.114  -0.877
  407    HD1  PHE  60           HD1      PHE  60  -8.399   8.492   2.069
  408    HD2  PHE  60           HD2      PHE  60  -5.465   7.640  -0.883
  409    HE1  PHE  60           HE1      PHE  60  -7.712   6.508   3.338
  410    HE2  PHE  60           HE2      PHE  60  -4.773   5.648   0.381
  411    HZ   PHE  60           HZ       PHE  60  -5.816   5.117   2.483
  412    H    ALA  61           HN       ALA  61  -7.004  12.325  -1.751
  413    HA   ALA  61           HA       ALA  61  -8.666  11.821  -3.973
  414   1HB   ALA  61           HB1      ALA  61  -8.359  14.302  -4.385
  415   2HB   ALA  61           HB2      ALA  61  -8.999  13.832  -2.809
  416   3HB   ALA  61           HB3      ALA  61  -7.305  14.299  -2.970
  417    H    THR  62           HN       THR  62  -5.206  12.190  -3.716
  418    HA   THR  62           HA       THR  62  -4.852  12.704  -6.529
  419    HB   THR  62           HB       THR  62  -2.417  11.922  -5.571
  420    HG1  THR  62           HG1      THR  62  -3.185  11.992  -3.407
  421   1HG2  THR  62          HG21      THR  62  -1.847  14.260  -5.761
  422   2HG2  THR  62          HG22      THR  62  -3.551  14.704  -5.663
  423   3HG2  THR  62          HG23      THR  62  -2.948  13.810  -7.062
  424    H    LEU  63           HN       LEU  63  -5.783  10.002  -4.987
  425    HA   LEU  63           HA       LEU  63  -4.096   8.089  -6.370
  426   1HB   LEU  63           HB2      LEU  63  -6.668   7.708  -4.823
  427   2HB   LEU  63           HB3      LEU  63  -5.721   6.404  -5.505
  428    HG   LEU  63           HG       LEU  63  -5.058   8.179  -3.176
  429   1HD1  LEU  63          HD11      LEU  63  -4.941   5.185  -3.421
  430   2HD1  LEU  63          HD12      LEU  63  -4.922   6.164  -1.956
  431   3HD1  LEU  63          HD13      LEU  63  -6.390   6.060  -2.926
  432   1HD2  LEU  63          HD21      LEU  63  -3.190   6.768  -5.004
  433   2HD2  LEU  63          HD22      LEU  63  -2.966   8.240  -4.059
  434   3HD2  LEU  63          HD23      LEU  63  -2.880   6.662  -3.270
  435    H    GLY  64           HN       GLY  64  -7.146   9.712  -6.720
  436   1HA   GLY  64           HA1      GLY  64  -8.367  10.119  -8.616
  437   2HA   GLY  64           HA2      GLY  64  -7.243   9.126  -9.515
  438    H    THR  65           HN       THR  65  -7.495   6.679  -8.923
  439    HA   THR  65           HA       THR  65 -10.214   6.087  -9.604
  440    HB   THR  65           HB       THR  65  -8.917   3.670  -9.362
  441    HG1  THR  65           HG1      THR  65  -7.148   5.515 -10.625
  442   1HG2  THR  65          HG21      THR  65  -8.967   3.679 -11.775
  443   2HG2  THR  65          HG22      THR  65  -9.090   5.436 -11.800
  444   3HG2  THR  65          HG23      THR  65 -10.422   4.474 -11.168
  445    H    VAL  66           HN       VAL  66  -9.935   6.908  -6.832
  446    HA   VAL  66           HA       VAL  66 -10.977   4.418  -5.670
  447    HB   VAL  66           HB       VAL  66 -10.367   5.135  -3.404
  448   1HG1  VAL  66          HG11      VAL  66  -7.796   4.986  -3.791
  449   2HG1  VAL  66          HG12      VAL  66  -8.842   3.621  -4.194
  450   3HG1  VAL  66          HG13      VAL  66  -8.271   4.700  -5.466
  451   1HG2  VAL  66          HG21      VAL  66  -9.614   7.610  -4.718
  452   2HG2  VAL  66          HG22      VAL  66  -9.903   7.275  -3.002
  453   3HG2  VAL  66          HG23      VAL  66  -8.313   6.966  -3.713
  454    H    GLU  67           HN       GLU  67 -13.057   4.609  -5.905
  455    HA   GLU  67           HA       GLU  67 -14.448   7.104  -5.732
  456   1HB   GLU  67           HB2      GLU  67 -14.988   4.466  -6.697
  457   2HB   GLU  67           HB3      GLU  67 -16.277   4.930  -5.597
  458   1HG   GLU  67           HG2      GLU  67 -15.381   6.369  -8.082
  459   2HG   GLU  67           HG3      GLU  67 -16.919   5.554  -7.804
  460    H    ASP  68           HN       ASP  68 -16.689   6.824  -4.405
  461    HA   ASP  68           HA       ASP  68 -16.045   7.263  -1.746
  462   1HB   ASP  68           HB2      ASP  68 -18.205   7.786  -3.086
  463   2HB   ASP  68           HB3      ASP  68 -18.727   6.193  -2.548
  464    H    LYS  69           HN       LYS  69 -17.105   4.274  -3.311
  465    HA   LYS  69           HA       LYS  69 -17.325   2.769  -0.904
  466   1HB   LYS  69           HB2      LYS  69 -17.334   0.783  -2.459
  467   2HB   LYS  69           HB3      LYS  69 -18.563   1.994  -2.793
  468   1HG   LYS  69           HG2      LYS  69 -16.033   2.334  -4.244
  469   2HG   LYS  69           HG3      LYS  69 -16.968   0.897  -4.666
  470   1HD   LYS  69           HD2      LYS  69 -18.321   3.557  -4.481
  471   2HD   LYS  69           HD3      LYS  69 -17.377   3.159  -5.918
  472   1HE   LYS  69           HE2      LYS  69 -18.743   1.225  -6.352
  473   2HE   LYS  69           HE3      LYS  69 -19.591   1.437  -4.818
  474   1HZ   LYS  69           HZ1      LYS  69 -19.962   2.812  -7.340
  475   2HZ   LYS  69           HZ2      LYS  69 -20.023   3.803  -5.960
  476   3HZ   LYS  69           HZ3      LYS  69 -21.074   2.485  -6.102
  477    H    TYR  70           HN       TYR  70 -14.686   3.441  -3.115
  478    HA   TYR  70           HA       TYR  70 -12.965   1.402  -2.044
  479   1HB   TYR  70           HB2      TYR  70 -12.411   3.806  -3.804
  480   2HB   TYR  70           HB3      TYR  70 -11.151   2.697  -3.268
  481    HD1  TYR  70           HD1      TYR  70 -14.167   3.030  -5.355
  482    HD2  TYR  70           HD2      TYR  70 -10.895   0.539  -4.263
  483    HE1  TYR  70           HE1      TYR  70 -14.641   1.569  -7.277
  484    HE2  TYR  70           HE2      TYR  70 -11.358  -0.925  -6.184
  485    HH   TYR  70           HH       TYR  70 -14.207  -0.875  -7.896
  486    H    ARG  71           HN       ARG  71 -13.527   4.829  -1.549
  487    HA   ARG  71           HA       ARG  71 -11.360   5.299   0.223
  488   1HB   ARG  71           HB2      ARG  71 -13.909   6.788  -0.345
  489   2HB   ARG  71           HB3      ARG  71 -12.782   7.322   0.882
  490   1HG   ARG  71           HG2      ARG  71 -11.629   6.792  -1.769
  491   2HG   ARG  71           HG3      ARG  71 -12.729   8.170  -1.652
  492   1HD   ARG  71           HD2      ARG  71 -10.302   7.663   0.050
  493   2HD   ARG  71           HD3      ARG  71 -10.436   8.871  -1.227
  494    HE   ARG  71           HE       ARG  71 -11.763   8.947   1.396
  495   1HH1  ARG  71          HH12      ARG  71 -10.859  10.532  -1.600
  496   2HH1  ARG  71          HH11      ARG  71 -11.382  12.103  -1.062
  497   1HH2  ARG  71          HH22      ARG  71 -12.410  10.972   2.111
  498   2HH2  ARG  71          HH21      ARG  71 -12.236  12.360   1.083
  499    H    ARG  72           HN       ARG  72 -14.653   4.225   0.612
  500    HA   ARG  72           HA       ARG  72 -14.911   4.558   3.388
  501   1HB   ARG  72           HB2      ARG  72 -16.444   3.500   1.257
  502   2HB   ARG  72           HB3      ARG  72 -16.413   2.307   2.555
  503   1HG   ARG  72           HG2      ARG  72 -18.060   3.482   3.455
  504   2HG   ARG  72           HG3      ARG  72 -16.821   4.663   3.887
  505   1HD   ARG  72           HD2      ARG  72 -17.178   5.636   1.561
  506   2HD   ARG  72           HD3      ARG  72 -18.669   4.688   1.518
  507    HE   ARG  72           HE       ARG  72 -19.446   5.962   3.435
  508   1HH1  ARG  72          HH12      ARG  72 -16.681   7.215   1.722
  509   2HH1  ARG  72          HH11      ARG  72 -16.917   8.857   2.239
  510   1HH2  ARG  72          HH22      ARG  72 -19.737   8.114   4.191
  511   2HH2  ARG  72          HH21      ARG  72 -18.655   9.367   3.658
  512    H    ARG  73           HN       ARG  73 -14.418   1.507   1.599
  513    HA   ARG  73           HA       ARG  73 -13.830   0.029   3.930
  514   1HB   ARG  73           HB2      ARG  73 -13.941  -1.746   2.569
  515   2HB   ARG  73           HB3      ARG  73 -14.423  -0.601   1.328
  516   1HG   ARG  73           HG2      ARG  73 -11.530  -1.137   1.775
  517   2HG   ARG  73           HG3      ARG  73 -12.509  -2.311   0.891
  518   1HD   ARG  73           HD2      ARG  73 -13.224   0.117  -0.213
  519   2HD   ARG  73           HD3      ARG  73 -11.490   0.276   0.064
  520    HE   ARG  73           HE       ARG  73 -11.121  -1.536  -1.411
  521   1HH1  ARG  73          HH12      ARG  73 -14.495  -0.637  -1.167
  522   2HH1  ARG  73          HH11      ARG  73 -14.959  -1.469  -2.622
  523   1HH2  ARG  73          HH22      ARG  73 -11.734  -2.660  -3.329
  524   2HH2  ARG  73          HH21      ARG  73 -13.388  -2.613  -3.847
  525    H    PHE  74           HN       PHE  74 -12.062   2.382   2.499
  526    HA   PHE  74           HA       PHE  74  -9.388   1.441   2.512
  527   1HB   PHE  74           HB2      PHE  74 -10.726   3.965   2.285
  528   2HB   PHE  74           HB3      PHE  74  -9.377   4.124   3.409
  529    HD1  PHE  74           HD1      PHE  74 -10.112   4.871   0.271
  530    HD2  PHE  74           HD2      PHE  74  -7.332   2.407   2.348
  531    HE1  PHE  74           HE1      PHE  74  -8.577   4.988  -1.642
  532    HE2  PHE  74           HE2      PHE  74  -5.787   2.526   0.431
  533    HZ   PHE  74           HZ       PHE  74  -6.327   3.883  -1.494
  534    H    LYS  75           HN       LYS  75 -11.550   2.362   5.038
  535    HA   LYS  75           HA       LYS  75  -9.914   2.908   7.193
  536   1HB   LYS  75           HB2      LYS  75 -11.814   2.063   8.561
  537   2HB   LYS  75           HB3      LYS  75 -12.312   3.156   7.277
  538   1HG   LYS  75           HG2      LYS  75 -13.051   1.291   5.910
  539   2HG   LYS  75           HG3      LYS  75 -12.464   0.144   7.118
  540   1HD   LYS  75           HD2      LYS  75 -14.195   0.568   8.564
  541   2HD   LYS  75           HD3      LYS  75 -14.407   2.225   7.992
  542   1HE   LYS  75           HE2      LYS  75 -14.988   0.658   5.779
  543   2HE   LYS  75           HE3      LYS  75 -15.715  -0.214   7.130
  544   1HZ   LYS  75           HZ1      LYS  75 -17.223   1.415   6.120
  545   2HZ   LYS  75           HZ2      LYS  75 -16.153   2.661   6.541
  546   3HZ   LYS  75           HZ3      LYS  75 -16.909   1.741   7.753
  547    H    TYR  76           HN       TYR  76 -10.462  -0.163   5.628
  548    HA   TYR  76           HA       TYR  76  -9.495  -1.728   7.857
  549   1HB   TYR  76           HB2      TYR  76 -10.184  -2.452   5.001
  550   2HB   TYR  76           HB3      TYR  76  -9.636  -3.621   6.195
  551    HD1  TYR  76           HD1      TYR  76 -12.433  -2.055   4.742
  552    HD2  TYR  76           HD2      TYR  76 -11.046  -3.725   8.398
  553    HE1  TYR  76           HE1      TYR  76 -14.758  -2.336   5.489
  554    HE2  TYR  76           HE2      TYR  76 -13.364  -4.012   9.158
  555    HH   TYR  76           HH       TYR  76 -15.821  -4.226   7.541
  556    H    PHE  77           HN       PHE  77  -8.026   0.146   5.514
  557    HA   PHE  77           HA       PHE  77  -5.539  -1.450   5.526
  558   1HB   PHE  77           HB2      PHE  77  -6.855   0.275   3.540
  559   2HB   PHE  77           HB3      PHE  77  -5.133   0.556   3.717
  560    HD1  PHE  77           HD1      PHE  77  -6.965  -0.720   1.383
  561    HD2  PHE  77           HD2      PHE  77  -4.272  -2.245   4.305
  562    HE1  PHE  77           HE1      PHE  77  -6.506  -2.669  -0.053
  563    HE2  PHE  77           HE2      PHE  77  -3.815  -4.185   2.873
  564    HZ   PHE  77           HZ       PHE  77  -4.938  -4.299   0.552
  565    H    LYS  78           HN       LYS  78  -7.036   1.309   6.776
  566    HA   LYS  78           HA       LYS  78  -5.081   3.242   6.818
  567   1HB   LYS  78           HB2      LYS  78  -7.536   2.771   8.192
  568   2HB   LYS  78           HB3      LYS  78  -6.346   3.347   9.351
  569   1HG   LYS  78           HG2      LYS  78  -7.614   5.196   8.411
  570   2HG   LYS  78           HG3      LYS  78  -5.913   5.301   7.957
  571   1HD   LYS  78           HD2      LYS  78  -6.378   5.116   5.769
  572   2HD   LYS  78           HD3      LYS  78  -7.527   3.802   6.042
  573   1HE   LYS  78           HE2      LYS  78  -8.820   5.556   5.163
  574   2HE   LYS  78           HE3      LYS  78  -9.124   5.589   6.899
  575   1HZ   LYS  78           HZ1      LYS  78  -7.903   7.512   7.170
  576   2HZ   LYS  78           HZ2      LYS  78  -8.644   7.791   5.672
  577   3HZ   LYS  78           HZ3      LYS  78  -7.016   7.297   5.738
  578    H    ALA  79           HN       ALA  79  -5.284   0.394   8.921
  579    HA   ALA  79           HA       ALA  79  -3.220   1.300  10.699
  580   1HB   ALA  79           HB1      ALA  79  -4.480  -1.390  10.235
  581   2HB   ALA  79           HB2      ALA  79  -3.179  -1.136  11.396
  582   3HB   ALA  79           HB3      ALA  79  -4.716  -0.295  11.594
  583    H    THR  80           HN       THR  80  -3.375  -0.520   7.750
  584    HA   THR  80           HA       THR  80  -0.716  -1.537   7.770
  585    HB   THR  80           HB       THR  80  -2.152  -1.101   5.208
  586    HG1  THR  80           HG1      THR  80  -3.106  -2.953   7.158
  587   1HG2  THR  80          HG21      THR  80  -0.580  -2.640   4.736
  588   2HG2  THR  80          HG22      THR  80  -1.678  -3.779   5.510
  589   3HG2  THR  80          HG23      THR  80  -0.358  -3.063   6.434
  590    H    ILE  81           HN       ILE  81  -2.322   1.097   6.016
  591    HA   ILE  81           HA       ILE  81  -0.142   2.095   4.605
  592    HB   ILE  81           HB       ILE  81  -2.368   3.815   5.712
  593   1HG1  ILE  81          HG12      ILE  81  -2.495   2.482   3.027
  594   2HG1  ILE  81          HG13      ILE  81  -3.050   1.632   4.467
  595   1HG2  ILE  81          HG21      ILE  81  -1.304   5.408   4.591
  596   2HG2  ILE  81          HG22      ILE  81  -0.187   4.240   3.884
  597   3HG2  ILE  81          HG23      ILE  81  -1.739   4.556   3.104
  598   1HD1  ILE  81          HD11      ILE  81  -4.677   3.361   4.906
  599   2HD1  ILE  81          HD12      ILE  81  -4.072   4.310   3.549
  600   3HD1  ILE  81          HD13      ILE  81  -4.870   2.762   3.257
  601    H    ALA  82           HN       ALA  82  -1.294   2.890   7.855
  602    HA   ALA  82           HA       ALA  82   0.568   4.972   8.335
  603   1HB   ALA  82           HB1      ALA  82  -0.629   5.260  10.194
  604   2HB   ALA  82           HB2      ALA  82  -1.648   3.933   9.639
  605   3HB   ALA  82           HB3      ALA  82  -0.311   3.611  10.737
  606    H    ASP  83           HN       ASP  83   0.634   1.497   8.973
  607    HA   ASP  83           HA       ASP  83   3.007   1.559  10.549
  608   1HB   ASP  83           HB2      ASP  83   1.388  -0.308  10.647
  609   2HB   ASP  83           HB3      ASP  83   1.823  -0.752   8.999
  610    H    LEU  84           HN       LEU  84   2.362   1.038   7.121
  611    HA   LEU  84           HA       LEU  84   5.000   0.297   6.448
  612   1HB   LEU  84           HB2      LEU  84   2.835   1.489   4.728
  613   2HB   LEU  84           HB3      LEU  84   4.315   0.762   4.129
  614    HG   LEU  84           HG       LEU  84   2.404  -0.800   5.842
  615   1HD1  LEU  84          HD11      LEU  84   1.799   0.251   3.311
  616   2HD1  LEU  84          HD12      LEU  84   2.171  -1.456   3.069
  617   3HD1  LEU  84          HD13      LEU  84   0.913  -0.982   4.209
  618   1HD2  LEU  84          HD21      LEU  84   4.511  -1.847   5.643
  619   2HD2  LEU  84          HD22      LEU  84   3.456  -2.663   4.488
  620   3HD2  LEU  84          HD23      LEU  84   4.620  -1.464   3.925
  621    H    SER  85           HN       SER  85   3.466   3.454   6.751
  622    HA   SER  85           HA       SER  85   5.556   4.877   5.424
  623   1HB   SER  85           HB2      SER  85   4.394   6.756   6.998
  624   2HB   SER  85           HB3      SER  85   3.740   6.237   5.444
  625    HG   SER  85           HG       SER  85   2.257   4.983   6.467
  626    H    LYS  86           HN       LYS  86   4.968   3.709   8.637
  627    HA   LYS  86           HA       LYS  86   7.031   5.281   9.896
  628   1HB   LYS  86           HB2      LYS  86   5.625   4.740  11.565
  629   2HB   LYS  86           HB3      LYS  86   4.971   3.366  10.693
  630   1HG   LYS  86           HG2      LYS  86   7.541   2.599  11.491
  631   2HG   LYS  86           HG3      LYS  86   6.826   3.415  12.886
  632   1HD   LYS  86           HD2      LYS  86   5.574   1.156  11.321
  633   2HD   LYS  86           HD3      LYS  86   6.355   1.004  12.897
  634   1HE   LYS  86           HE2      LYS  86   4.674   2.747  13.700
  635   2HE   LYS  86           HE3      LYS  86   3.798   2.425  12.204
  636   1HZ   LYS  86           HZ1      LYS  86   3.715   0.065  12.851
  637   2HZ   LYS  86           HZ2      LYS  86   2.911   1.068  13.957
  638   3HZ   LYS  86           HZ3      LYS  86   4.447   0.455  14.331
  639    H    LYS  87           HN       LYS  87   6.762   2.183   8.333
  640    HA   LYS  87           HA       LYS  87   9.325   1.235   9.281
  641   1HB   LYS  87           HB2      LYS  87   7.477   0.100   7.176
  642   2HB   LYS  87           HB3      LYS  87   8.907  -0.702   7.808
  643   1HG   LYS  87           HG2      LYS  87   7.078   0.138   9.903
  644   2HG   LYS  87           HG3      LYS  87   6.338  -0.968   8.746
  645   1HD   LYS  87           HD2      LYS  87   8.817  -2.093   9.202
  646   2HD   LYS  87           HD3      LYS  87   8.358  -1.467  10.785
  647   1HE   LYS  87           HE2      LYS  87   6.546  -3.164   9.089
  648   2HE   LYS  87           HE3      LYS  87   7.641  -3.832  10.297
  649   1HZ   LYS  87           HZ1      LYS  87   6.421  -2.064  11.798
  650   2HZ   LYS  87           HZ2      LYS  87   5.775  -3.605  11.534
  651   3HZ   LYS  87           HZ3      LYS  87   5.186  -2.283  10.649
  652    H    ARG  88           HN       ARG  88   8.211   3.219   6.775
  653    HA   ARG  88           HA       ARG  88  10.087   2.621   4.753
  654   1HB   ARG  88           HB2      ARG  88   7.940   4.299   4.938
  655   2HB   ARG  88           HB3      ARG  88   9.278   5.441   4.951
  656   1HG   ARG  88           HG2      ARG  88   9.991   4.827   2.837
  657   2HG   ARG  88           HG3      ARG  88   9.142   3.279   2.894
  658   1HD   ARG  88           HD2      ARG  88   7.151   4.193   2.297
  659   2HD   ARG  88           HD3      ARG  88   7.499   5.724   3.098
  660    HE   ARG  88           HE       ARG  88   9.052   5.166   0.706
  661   1HH1  ARG  88          HH12      ARG  88   6.285   6.795   2.141
  662   2HH1  ARG  88          HH11      ARG  88   6.075   7.881   0.805
  663   1HH2  ARG  88          HH22      ARG  88   8.789   6.646  -1.041
  664   2HH2  ARG  88          HH21      ARG  88   7.490   7.807  -0.993
  665    H    SER  89           HN       SER  89  11.983   3.815   4.124
  666    HA   SER  89           HA       SER  89  13.697   4.377   6.341
  667   1HB   SER  89           HB2      SER  89  14.701   5.176   3.717
  668   2HB   SER  89           HB3      SER  89  15.319   3.963   4.840
  669    HG   SER  89           HG       SER  89  14.224   2.433   3.844
  670    H    SER  90           HN       SER  90  12.177   6.124   7.092
  671    HA   SER  90           HA       SER  90  11.730   8.293   7.547
  672   1HB   SER  90           HB2      SER  90  14.391   8.900   6.249
  673   2HB   SER  90           HB3      SER  90  13.560   9.838   7.490
  674    HG   SER  90           HG       SER  90  15.080   7.536   7.724
  675    H    GLU  91           HN       GLU  91  10.385   7.509   5.380
  676    HA   GLU  91           HA       GLU  91  10.488   9.877   3.642
  677   1HB   GLU  91           HB2      GLU  91   9.812   7.053   2.797
  678   2HB   GLU  91           HB3      GLU  91   9.728   8.472   1.763
  679   1HG   GLU  91           HG2      GLU  91  12.292   8.609   2.672
  680   2HG   GLU  91           HG3      GLU  91  12.030   6.868   2.574
  Start of MODEL   15
    1    H    GLU  11           HN       GLU  11  16.361  -4.997   1.026
    2    HA   GLU  11           HA       GLU  11  15.896  -3.157   2.243
    3   1HB   GLU  11           HB2      GLU  11  18.713  -3.366   2.407
    4   2HB   GLU  11           HB3      GLU  11  18.315  -1.665   2.232
    5   1HG   GLU  11           HG2      GLU  11  17.828  -1.584   4.383
    6   2HG   GLU  11           HG3      GLU  11  16.516  -2.736   4.118
    7    H    LEU  12           HN       LEU  12  16.153  -3.227  -0.811
    8    HA   LEU  12           HA       LEU  12  16.073  -0.327  -1.276
    9   1HB   LEU  12           HB2      LEU  12  16.511  -2.634  -3.175
   10   2HB   LEU  12           HB3      LEU  12  16.279  -0.982  -3.700
   11    HG   LEU  12           HG       LEU  12  18.478  -1.624  -1.785
   12   1HD1  LEU  12          HD11      LEU  12  19.424  -1.592  -4.490
   13   2HD1  LEU  12          HD12      LEU  12  19.646  -2.818  -3.241
   14   3HD1  LEU  12          HD13      LEU  12  18.226  -2.873  -4.283
   15   1HD2  LEU  12          HD21      LEU  12  19.320   0.406  -2.372
   16   2HD2  LEU  12          HD22      LEU  12  18.714   0.302  -4.028
   17   3HD2  LEU  12          HD23      LEU  12  17.618   0.717  -2.709
   18    H    ASN  13           HN       ASN  13  14.187  -3.003  -0.799
   19    HA   ASN  13           HA       ASN  13  12.047  -2.253  -2.591
   20   1HB   ASN  13           HB2      ASN  13  10.908  -4.249  -1.609
   21   2HB   ASN  13           HB3      ASN  13  12.470  -4.595  -2.340
   22   1HD2  ASN  13          HD21      ASN  13  10.697  -5.737  -0.086
   23   2HD2  ASN  13          HD22      ASN  13  11.843  -6.036   1.184
   24    H    ASN  14           HN       ASN  14  12.413  -0.130  -1.034
   25    HA   ASN  14           HA       ASN  14  10.983  -0.116   1.401
   26   1HB   ASN  14           HB2      ASN  14  10.711   2.454   0.414
   27   2HB   ASN  14           HB3      ASN  14  12.009   1.866   1.441
   28   1HD2  ASN  14          HD21      ASN  14  13.927   2.254   0.785
   29   2HD2  ASN  14          HD22      ASN  14  14.445   2.494  -0.855
   30    H    LEU  15           HN       LEU  15  10.055   0.702  -1.906
   31    HA   LEU  15           HA       LEU  15   7.286   1.120  -1.177
   32   1HB   LEU  15           HB2      LEU  15   8.856   2.077  -3.174
   33   2HB   LEU  15           HB3      LEU  15   8.025   0.782  -4.013
   34    HG   LEU  15           HG       LEU  15   6.231   2.485  -2.450
   35   1HD1  LEU  15          HD11      LEU  15   8.123   3.673  -4.392
   36   2HD1  LEU  15          HD12      LEU  15   6.433   4.159  -4.509
   37   3HD1  LEU  15          HD13      LEU  15   7.313   4.395  -3.000
   38   1HD2  LEU  15          HD21      LEU  15   6.327   1.031  -5.001
   39   2HD2  LEU  15          HD22      LEU  15   4.997   1.255  -3.863
   40   3HD2  LEU  15          HD23      LEU  15   5.387   2.525  -5.019
   41    H    ARG  16           HN       ARG  16   9.291  -1.395  -2.509
   42    HA   ARG  16           HA       ARG  16   7.228  -3.032  -3.518
   43   1HB   ARG  16           HB2      ARG  16   9.916  -3.121  -3.643
   44   2HB   ARG  16           HB3      ARG  16   9.632  -4.350  -2.428
   45   1HG   ARG  16           HG2      ARG  16   9.772  -5.047  -4.868
   46   2HG   ARG  16           HG3      ARG  16   8.472  -5.690  -3.881
   47   1HD   ARG  16           HD2      ARG  16   7.226  -3.524  -4.825
   48   2HD   ARG  16           HD3      ARG  16   8.369  -3.792  -6.143
   49    HE   ARG  16           HE       ARG  16   6.625  -5.977  -5.198
   50   1HH1  ARG  16          HH12      ARG  16   7.672  -3.788  -7.728
   51   2HH1  ARG  16          HH11      ARG  16   6.909  -4.689  -9.006
   52   1HH2  ARG  16          HH22      ARG  16   5.627  -7.162  -6.869
   53   2HH2  ARG  16          HH21      ARG  16   5.740  -6.612  -8.515
   54    H    MET  17           HN       MET  17   8.734  -2.751  -0.330
   55    HA   MET  17           HA       MET  17   7.556  -5.019   0.846
   56   1HB   MET  17           HB2      MET  17   9.407  -3.617   1.831
   57   2HB   MET  17           HB3      MET  17   8.179  -2.436   2.253
   58   1HG   MET  17           HG2      MET  17   7.122  -4.716   3.303
   59   2HG   MET  17           HG3      MET  17   8.850  -4.983   3.526
   60   1HE   MET  17           HE1      MET  17  10.377  -2.834   5.289
   61   2HE   MET  17           HE2      MET  17   9.979  -2.383   3.630
   62   3HE   MET  17           HE3      MET  17   9.566  -1.302   4.965
   63    H    THR  18           HN       THR  18   6.503  -1.693   0.494
   64    HA   THR  18           HA       THR  18   4.116  -1.831   1.971
   65    HB   THR  18           HB       THR  18   4.438  -0.061  -0.432
   66    HG1  THR  18           HG1      THR  18   5.812   1.261   0.779
   67   1HG2  THR  18          HG21      THR  18   2.455   0.449   0.643
   68   2HG2  THR  18          HG22      THR  18   3.578   1.575   1.407
   69   3HG2  THR  18          HG23      THR  18   3.108   0.094   2.241
   70    H    TYR  19           HN       TYR  19   4.775  -2.183  -1.501
   71    HA   TYR  19           HA       TYR  19   2.133  -2.665  -2.348
   72   1HB   TYR  19           HB2      TYR  19   3.896  -2.034  -3.898
   73   2HB   TYR  19           HB3      TYR  19   4.791  -3.499  -3.535
   74    HD1  TYR  19           HD1      TYR  19   1.604  -2.292  -5.040
   75    HD2  TYR  19           HD2      TYR  19   4.468  -5.438  -4.820
   76    HE1  TYR  19           HE1      TYR  19   0.470  -3.451  -6.888
   77    HE2  TYR  19           HE2      TYR  19   3.338  -6.599  -6.671
   78    HH   TYR  19           HH       TYR  19   1.855  -6.184  -8.492
   79    H    GLU  20           HN       GLU  20   4.722  -4.892  -1.372
   80    HA   GLU  20           HA       GLU  20   3.305  -7.281  -1.903
   81   1HB   GLU  20           HB2      GLU  20   5.865  -6.502  -0.812
   82   2HB   GLU  20           HB3      GLU  20   5.161  -7.827   0.103
   83   1HG   GLU  20           HG2      GLU  20   6.696  -8.264  -1.949
   84   2HG   GLU  20           HG3      GLU  20   5.296  -9.284  -1.642
   85    H    ARG  21           HN       ARG  21   3.761  -5.328   1.022
   86    HA   ARG  21           HA       ARG  21   2.475  -7.080   2.825
   87   1HB   ARG  21           HB2      ARG  21   3.928  -5.149   3.446
   88   2HB   ARG  21           HB3      ARG  21   2.628  -4.069   2.967
   89   1HG   ARG  21           HG2      ARG  21   1.627  -4.303   4.917
   90   2HG   ARG  21           HG3      ARG  21   1.660  -6.062   4.793
   91   1HD   ARG  21           HD2      ARG  21   4.283  -5.045   5.319
   92   2HD   ARG  21           HD3      ARG  21   3.145  -4.429   6.514
   93    HE   ARG  21           HE       ARG  21   3.324  -7.312   5.935
   94   1HH1  ARG  21          HH12      ARG  21   3.409  -4.629   8.182
   95   2HH1  ARG  21          HH11      ARG  21   3.650  -5.640   9.579
   96   1HH2  ARG  21          HH22      ARG  21   3.607  -8.652   7.780
   97   2HH2  ARG  21          HH21      ARG  21   3.717  -7.918   9.356
   98    H    LEU  22           HN       LEU  22   1.310  -4.410   0.836
   99    HA   LEU  22           HA       LEU  22  -1.346  -4.399   1.857
  100   1HB   LEU  22           HB2      LEU  22   0.110  -3.240  -0.457
  101   2HB   LEU  22           HB3      LEU  22  -1.623  -3.349  -0.612
  102    HG   LEU  22           HG       LEU  22  -0.573  -2.131   1.874
  103   1HD1  LEU  22          HD11      LEU  22  -0.853  -0.097  -0.103
  104   2HD1  LEU  22          HD12      LEU  22   0.547  -0.477   0.902
  105   3HD1  LEU  22          HD13      LEU  22   0.336  -1.274  -0.656
  106   1HD2  LEU  22          HD21      LEU  22  -2.958  -1.942   0.095
  107   2HD2  LEU  22          HD22      LEU  22  -2.871  -2.118   1.848
  108   3HD2  LEU  22          HD23      LEU  22  -2.532  -0.555   1.101
  109    H    ARG  23           HN       ARG  23   0.269  -6.080  -0.781
  110    HA   ARG  23           HA       ARG  23  -2.020  -7.131  -2.034
  111   1HB   ARG  23           HB2      ARG  23   0.657  -7.158  -2.546
  112   2HB   ARG  23           HB3      ARG  23   0.408  -8.816  -2.024
  113   1HG   ARG  23           HG2      ARG  23  -0.504  -9.360  -3.958
  114   2HG   ARG  23           HG3      ARG  23  -1.646  -8.019  -3.856
  115   1HD   ARG  23           HD2      ARG  23  -0.320  -6.605  -5.074
  116   2HD   ARG  23           HD3      ARG  23   1.170  -7.393  -4.560
  117    HE   ARG  23           HE       ARG  23  -0.628  -8.286  -6.703
  118   1HH1  ARG  23          HH12      ARG  23   2.446  -8.506  -5.018
  119   2HH1  ARG  23          HH11      ARG  23   3.141  -9.583  -6.191
  120   1HH2  ARG  23          HH22      ARG  23   0.302  -9.673  -8.237
  121   2HH2  ARG  23          HH21      ARG  23   1.927 -10.247  -8.018
  122    H    GLU  24           HN       GLU  24   0.100  -8.408   0.497
  123    HA   GLU  24           HA       GLU  24  -1.281 -10.870   0.794
  124   1HB   GLU  24           HB2      GLU  24   1.089 -10.316   1.575
  125   2HB   GLU  24           HB3      GLU  24   0.339  -9.493   2.937
  126   1HG   GLU  24           HG2      GLU  24  -0.914 -11.857   3.072
  127   2HG   GLU  24           HG3      GLU  24   0.628 -12.363   2.389
  128    H    LEU  25           HN       LEU  25  -1.634  -7.698   2.248
  129    HA   LEU  25           HA       LEU  25  -3.449  -8.561   4.281
  130   1HB   LEU  25           HB2      LEU  25  -1.976  -6.286   3.819
  131   2HB   LEU  25           HB3      LEU  25  -3.599  -5.748   3.442
  132    HG   LEU  25           HG       LEU  25  -2.373  -6.324   6.036
  133   1HD1  LEU  25          HD11      LEU  25  -4.268  -4.775   6.730
  134   2HD1  LEU  25          HD12      LEU  25  -3.056  -4.124   5.623
  135   3HD1  LEU  25          HD13      LEU  25  -4.625  -4.638   5.008
  136   1HD2  LEU  25          HD21      LEU  25  -4.715  -7.831   5.227
  137   2HD2  LEU  25          HD22      LEU  25  -3.682  -8.013   6.643
  138   3HD2  LEU  25          HD23      LEU  25  -5.001  -6.839   6.655
  139    H    SER  26           HN       SER  26  -3.754  -7.405   0.967
  140    HA   SER  26           HA       SER  26  -6.533  -6.852   1.042
  141   1HB   SER  26           HB2      SER  26  -4.872  -7.703  -1.355
  142   2HB   SER  26           HB3      SER  26  -6.432  -6.898  -1.407
  143    HG   SER  26           HG       SER  26  -4.102  -5.798  -0.230
  144    H    LEU  27           HN       LEU  27  -4.635  -9.733   0.430
  145    HA   LEU  27           HA       LEU  27  -6.854 -11.332  -0.396
  146   1HB   LEU  27           HB2      LEU  27  -3.987 -11.711   0.040
  147   2HB   LEU  27           HB3      LEU  27  -4.951 -13.109   0.476
  148    HG   LEU  27           HG       LEU  27  -5.990 -12.916  -1.858
  149   1HD1  LEU  27          HD11      LEU  27  -5.171 -11.492  -3.407
  150   2HD1  LEU  27          HD12      LEU  27  -4.723 -10.548  -1.985
  151   3HD1  LEU  27          HD13      LEU  27  -3.528 -11.576  -2.767
  152   1HD2  LEU  27          HD21      LEU  27  -3.447 -13.991  -0.972
  153   2HD2  LEU  27          HD22      LEU  27  -4.689 -14.729  -1.984
  154   3HD2  LEU  27          HD23      LEU  27  -3.464 -13.683  -2.708
  155    H    ASN  28           HN       ASN  28  -5.282 -10.605   2.624
  156    HA   ASN  28           HA       ASN  28  -6.551 -12.672   4.141
  157   1HB   ASN  28           HB2      ASN  28  -4.415 -10.920   4.519
  158   2HB   ASN  28           HB3      ASN  28  -5.615 -10.421   5.713
  159   1HD2  ASN  28          HD21      ASN  28  -3.324 -12.798   4.809
  160   2HD2  ASN  28          HD22      ASN  28  -3.515 -13.827   6.190
  161    H    LEU  29           HN       LEU  29  -6.926  -9.129   4.123
  162    HA   LEU  29           HA       LEU  29  -9.167  -9.098   5.832
  163   1HB   LEU  29           HB2      LEU  29  -8.098  -7.125   3.834
  164   2HB   LEU  29           HB3      LEU  29  -9.529  -6.792   4.790
  165    HG   LEU  29           HG       LEU  29  -6.850  -7.447   5.995
  166   1HD1  LEU  29          HD11      LEU  29  -6.685  -5.411   4.666
  167   2HD1  LEU  29          HD12      LEU  29  -8.104  -4.754   5.486
  168   3HD1  LEU  29          HD13      LEU  29  -6.620  -5.052   6.393
  169   1HD2  LEU  29          HD21      LEU  29  -9.445  -7.294   7.050
  170   2HD2  LEU  29          HD22      LEU  29  -7.918  -7.434   7.923
  171   3HD2  LEU  29          HD23      LEU  29  -8.591  -5.843   7.577
  172    H    GLY  30           HN       GLY  30  -8.879  -9.126   2.304
  173   1HA   GLY  30           HA1      GLY  30 -11.604  -8.729   1.734
  174   2HA   GLY  30           HA2      GLY  30 -10.434  -9.468   0.652
  175    H    ASN  31           HN       ASN  31  -9.755 -11.763   2.150
  176    HA   ASN  31           HA       ASN  31 -12.073 -13.384   1.595
  177   1HB   ASN  31           HB2      ASN  31  -9.686 -14.076   1.142
  178   2HB   ASN  31           HB3      ASN  31  -9.483 -14.270   2.882
  179   1HD2  ASN  31          HD21      ASN  31 -12.017 -15.138   0.531
  180   2HD2  ASN  31          HD22      ASN  31 -12.111 -16.803   0.999
  181    H    ARG  32           HN       ARG  32 -10.980 -11.708   4.326
  182    HA   ARG  32           HA       ARG  32 -12.328 -13.529   6.168
  183   1HB   ARG  32           HB2      ARG  32 -10.068 -12.082   6.517
  184   2HB   ARG  32           HB3      ARG  32 -11.259 -10.972   7.183
  185   1HG   ARG  32           HG2      ARG  32 -12.074 -12.859   8.627
  186   2HG   ARG  32           HG3      ARG  32 -10.676 -13.782   8.067
  187   1HD   ARG  32           HD2      ARG  32  -9.868 -11.168   8.923
  188   2HD   ARG  32           HD3      ARG  32 -10.789 -11.958  10.200
  189    HE   ARG  32           HE       ARG  32  -8.522 -13.319   8.900
  190   1HH1  ARG  32          HH12      ARG  32 -10.134 -12.116  11.782
  191   2HH1  ARG  32          HH11      ARG  32  -9.023 -12.901  12.870
  192   1HH2  ARG  32          HH22      ARG  32  -7.067 -14.325  10.327
  193   2HH2  ARG  32          HH21      ARG  32  -7.250 -14.131  12.046
  194    H    MET  33           HN       MET  33 -13.141 -11.045   4.178
  195    HA   MET  33           HA       MET  33 -15.039  -9.738   5.915
  196   1HB   MET  33           HB2      MET  33 -13.723  -8.912   3.668
  197   2HB   MET  33           HB3      MET  33 -15.294  -9.337   3.008
  198   1HG   MET  33           HG2      MET  33 -16.305  -7.582   3.943
  199   2HG   MET  33           HG3      MET  33 -15.429  -7.764   5.456
  200   1HE   MET  33           HE1      MET  33 -15.422  -4.385   4.755
  201   2HE   MET  33           HE2      MET  33 -15.370  -4.415   2.993
  202   3HE   MET  33           HE3      MET  33 -16.508  -5.448   3.859
  203    H    VAL  34           HN       VAL  34 -17.347  -9.694   5.373
  204    HA   VAL  34           HA       VAL  34 -18.281 -12.062   3.910
  205    HB   VAL  34           HB       VAL  34 -19.365 -11.274   6.620
  206   1HG1  VAL  34          HG11      VAL  34 -19.965 -13.666   4.891
  207   2HG1  VAL  34          HG12      VAL  34 -20.667 -13.303   6.465
  208   3HG1  VAL  34          HG13      VAL  34 -21.010 -12.256   5.087
  209   1HG2  VAL  34          HG21      VAL  34 -17.921 -13.837   6.084
  210   2HG2  VAL  34          HG22      VAL  34 -17.016 -12.378   6.488
  211   3HG2  VAL  34          HG23      VAL  34 -18.214 -13.017   7.616
  212    HA   PRO  35           HA       PRO  35 -19.414 -12.557   2.362
  213   1HB   PRO  35           HB2      PRO  35 -19.733 -11.068  -0.144
  214   2HB   PRO  35           HB3      PRO  35 -20.567 -12.527   0.389
  215   1HG   PRO  35           HG2      PRO  35 -21.819 -10.171   0.194
  216   2HG   PRO  35           HG3      PRO  35 -22.228 -11.348   1.454
  217   1HD   PRO  35           HD2      PRO  35 -20.522  -8.878   1.649
  218   2HD   PRO  35           HD3      PRO  35 -21.772  -9.472   2.766
  219    HA   PRO  36           HA       PRO  36 -15.149 -11.649   1.751
  220   1HB   PRO  36           HB2      PRO  36 -15.244 -13.771  -0.338
  221   2HB   PRO  36           HB3      PRO  36 -14.184 -13.616   1.070
  222   1HG   PRO  36           HG2      PRO  36 -16.159 -15.371   1.098
  223   2HG   PRO  36           HG3      PRO  36 -15.815 -14.397   2.541
  224   1HD   PRO  36           HD2      PRO  36 -17.966 -14.033   0.484
  225   2HD   PRO  36           HD3      PRO  36 -18.072 -13.905   2.253
  226    H    VAL  37           HN       VAL  37 -14.182 -10.129   0.629
  227    HA   VAL  37           HA       VAL  37 -15.316  -9.239  -1.877
  228    HB   VAL  37           HB       VAL  37 -12.771  -8.089  -0.867
  229   1HG1  VAL  37          HG11      VAL  37 -14.394  -6.019  -1.338
  230   2HG1  VAL  37          HG12      VAL  37 -13.480  -6.829  -2.611
  231   3HG1  VAL  37          HG13      VAL  37 -15.175  -7.234  -2.351
  232   1HG2  VAL  37          HG21      VAL  37 -14.536  -6.648   0.583
  233   2HG2  VAL  37          HG22      VAL  37 -15.243  -8.261   0.715
  234   3HG2  VAL  37          HG23      VAL  37 -13.581  -7.982   1.231
  235    H    GLY  38           HN       GLY  38 -14.649  -9.951  -3.792
  236   1HA   GLY  38           HA1      GLY  38 -12.542 -11.809  -4.105
  237   2HA   GLY  38           HA2      GLY  38 -13.329 -10.927  -5.413
  238    H    ASN  39           HN       ASN  39 -12.774  -8.418  -5.026
  239    HA   ASN  39           HA       ASN  39  -9.849  -8.286  -4.954
  240   1HB   ASN  39           HB2      ASN  39  -9.842  -6.658  -6.688
  241   2HB   ASN  39           HB3      ASN  39 -10.885  -7.957  -7.232
  242   1HD2  ASN  39          HD21      ASN  39 -10.531  -4.756  -7.206
  243   2HD2  ASN  39          HD22      ASN  39 -12.175  -4.235  -7.305
  244    H    PHE  40           HN       PHE  40  -9.610  -7.740  -2.870
  245    HA   PHE  40           HA       PHE  40 -11.168  -5.895  -1.428
  246   1HB   PHE  40           HB2      PHE  40  -9.543  -7.560  -0.453
  247   2HB   PHE  40           HB3      PHE  40  -8.237  -6.516  -0.992
  248    HD1  PHE  40           HD1      PHE  40  -7.232  -5.594   0.872
  249    HD2  PHE  40           HD2      PHE  40 -11.486  -5.773   0.695
  250    HE1  PHE  40           HE1      PHE  40  -7.374  -4.329   2.980
  251    HE2  PHE  40           HE2      PHE  40 -11.634  -4.498   2.793
  252    HZ   PHE  40           HZ       PHE  40  -9.534  -3.817   3.966
  253    H    MET  41           HN       MET  41  -7.949  -5.499  -2.856
  254    HA   MET  41           HA       MET  41  -8.609  -2.725  -3.467
  255   1HB   MET  41           HB2      MET  41  -7.058  -3.225  -1.363
  256   2HB   MET  41           HB3      MET  41  -5.832  -3.337  -2.616
  257   1HG   MET  41           HG2      MET  41  -6.153  -1.098  -1.474
  258   2HG   MET  41           HG3      MET  41  -6.088  -1.107  -3.237
  259   1HE   MET  41           HE1      MET  41  -8.463   1.252  -0.909
  260   2HE   MET  41           HE2      MET  41  -9.173  -0.230  -0.263
  261   3HE   MET  41           HE3      MET  41  -7.423  -0.031  -0.288
  262    HA   PRO  42           HA       PRO  42  -7.327  -4.246  -7.419
  263   1HB   PRO  42           HB2      PRO  42  -7.168  -1.387  -8.136
  264   2HB   PRO  42           HB3      PRO  42  -8.140  -2.679  -8.851
  265   1HG   PRO  42           HG2      PRO  42  -9.251  -0.782  -7.332
  266   2HG   PRO  42           HG3      PRO  42  -9.822  -2.461  -7.270
  267   1HD   PRO  42           HD2      PRO  42  -8.025  -0.994  -5.360
  268   2HD   PRO  42           HD3      PRO  42  -9.351  -2.127  -5.016
  269    H    ASP  43           HN       ASP  43  -5.498  -4.424  -8.625
  270    HA   ASP  43           HA       ASP  43  -3.022  -4.111  -7.432
  271   1HB   ASP  43           HB2      ASP  43  -3.811  -5.460  -9.562
  272   2HB   ASP  43           HB3      ASP  43  -3.231  -4.043 -10.425
  273    H    SER  44           HN       SER  44  -4.744  -1.942  -9.588
  274    HA   SER  44           HA       SER  44  -2.660  -0.128 -10.068
  275   1HB   SER  44           HB2      SER  44  -5.055   1.323 -10.166
  276   2HB   SER  44           HB3      SER  44  -4.268   0.495 -11.510
  277    HG   SER  44           HG       SER  44  -6.097  -0.572 -11.528
  278    H    ILE  45           HN       ILE  45  -5.334  -0.024  -7.740
  279    HA   ILE  45           HA       ILE  45  -4.553   2.369  -6.490
  280    HB   ILE  45           HB       ILE  45  -6.142   0.154  -5.186
  281   1HG1  ILE  45          HG12      ILE  45  -7.071   0.772  -7.435
  282   2HG1  ILE  45          HG13      ILE  45  -8.151   1.144  -6.093
  283   1HG2  ILE  45          HG21      ILE  45  -5.292   2.065  -3.796
  284   2HG2  ILE  45          HG22      ILE  45  -6.301   3.128  -4.777
  285   3HG2  ILE  45          HG23      ILE  45  -7.044   1.859  -3.803
  286   1HD1  ILE  45          HD11      ILE  45  -6.521   3.424  -6.641
  287   2HD1  ILE  45          HD12      ILE  45  -7.254   2.857  -8.142
  288   3HD1  ILE  45          HD13      ILE  45  -8.270   3.251  -6.754
  289    H    LEU  46           HN       LEU  46  -3.763  -1.002  -5.844
  290    HA   LEU  46           HA       LEU  46  -2.513  -0.597  -3.359
  291   1HB   LEU  46           HB2      LEU  46  -1.992  -2.672  -5.484
  292   2HB   LEU  46           HB3      LEU  46  -1.276  -2.715  -3.888
  293    HG   LEU  46           HG       LEU  46  -4.259  -2.734  -4.309
  294   1HD1  LEU  46          HD11      LEU  46  -2.279  -4.964  -4.485
  295   2HD1  LEU  46          HD12      LEU  46  -3.864  -5.265  -3.770
  296   3HD1  LEU  46          HD13      LEU  46  -3.741  -4.676  -5.427
  297   1HD2  LEU  46          HD21      LEU  46  -3.938  -2.276  -2.088
  298   2HD2  LEU  46          HD22      LEU  46  -3.911  -4.045  -2.042
  299   3HD2  LEU  46          HD23      LEU  46  -2.397  -3.130  -2.021
  300    H    LYS  47           HN       LYS  47  -1.358  -0.256  -6.665
  301    HA   LYS  47           HA       LYS  47   1.382   0.012  -5.950
  302   1HB   LYS  47           HB2      LYS  47  -0.214   0.433  -8.429
  303   2HB   LYS  47           HB3      LYS  47   1.395   1.131  -8.346
  304   1HG   LYS  47           HG2      LYS  47   2.439  -0.905  -8.304
  305   2HG   LYS  47           HG3      LYS  47   1.040  -1.720  -7.602
  306   1HD   LYS  47           HD2      LYS  47  -0.143  -1.414  -9.777
  307   2HD   LYS  47           HD3      LYS  47   1.350  -0.763 -10.453
  308   1HE   LYS  47           HE2      LYS  47   2.498  -2.834 -10.119
  309   2HE   LYS  47           HE3      LYS  47   1.155  -3.489  -9.188
  310   1HZ   LYS  47           HZ1      LYS  47   0.092  -4.106 -11.030
  311   2HZ   LYS  47           HZ2      LYS  47   1.580  -3.889 -11.825
  312   3HZ   LYS  47           HZ3      LYS  47   0.421  -2.652 -11.850
  313    H    LYS  48           HN       LYS  48  -1.180   2.388  -6.643
  314    HA   LYS  48           HA       LYS  48   0.591   4.614  -6.349
  315   1HB   LYS  48           HB2      LYS  48  -1.703   5.862  -6.077
  316   2HB   LYS  48           HB3      LYS  48  -1.218   5.228  -7.640
  317   1HG   LYS  48           HG2      LYS  48  -2.605   3.210  -7.178
  318   2HG   LYS  48           HG3      LYS  48  -3.175   4.004  -5.710
  319   1HD   LYS  48           HD2      LYS  48  -4.775   4.296  -7.520
  320   2HD   LYS  48           HD3      LYS  48  -4.075   5.840  -7.048
  321   1HE   LYS  48           HE2      LYS  48  -2.399   4.848  -9.060
  322   2HE   LYS  48           HE3      LYS  48  -4.043   4.518  -9.612
  323   1HZ   LYS  48           HZ1      LYS  48  -2.654   7.016  -9.405
  324   2HZ   LYS  48           HZ2      LYS  48  -4.184   7.062  -8.667
  325   3HZ   LYS  48           HZ3      LYS  48  -4.046   6.625 -10.295
  326    H    MET  49           HN       MET  49  -1.713   2.983  -4.257
  327    HA   MET  49           HA       MET  49  -1.487   4.798  -2.114
  328   1HB   MET  49           HB2      MET  49  -3.077   3.574  -1.163
  329   2HB   MET  49           HB3      MET  49  -3.131   2.705  -2.686
  330   1HG   MET  49           HG2      MET  49  -1.128   1.412  -1.410
  331   2HG   MET  49           HG3      MET  49  -2.171   1.878  -0.073
  332   1HE   MET  49           HE1      MET  49  -5.375  -0.104  -0.613
  333   2HE   MET  49           HE2      MET  49  -4.307   0.676   0.557
  334   3HE   MET  49           HE3      MET  49  -5.036   1.622  -0.740
  335    H    ALA  50           HN       ALA  50   0.446   2.066  -3.091
  336    HA   ALA  50           HA       ALA  50   1.912   1.943  -0.610
  337   1HB   ALA  50           HB1      ALA  50   3.367   0.721  -2.724
  338   2HB   ALA  50           HB2      ALA  50   2.468  -0.053  -1.418
  339   3HB   ALA  50           HB3      ALA  50   1.660   0.330  -2.937
  340    H    ALA  51           HN       ALA  51   2.164   3.595  -3.656
  341    HA   ALA  51           HA       ALA  51   4.921   4.337  -3.271
  342   1HB   ALA  51           HB1      ALA  51   2.866   4.832  -5.374
  343   2HB   ALA  51           HB2      ALA  51   4.312   5.840  -5.316
  344   3HB   ALA  51           HB3      ALA  51   4.466   4.095  -5.505
  345    H    ILE  52           HN       ILE  52   1.770   5.931  -2.991
  346    HA   ILE  52           HA       ILE  52   3.003   8.470  -2.297
  347    HB   ILE  52           HB       ILE  52   0.218   7.515  -2.811
  348   1HG1  ILE  52          HG12      ILE  52   0.551   9.948  -4.029
  349   2HG1  ILE  52          HG13      ILE  52   2.195   9.314  -4.028
  350   1HG2  ILE  52          HG21      ILE  52  -0.803   9.498  -2.001
  351   2HG2  ILE  52          HG22      ILE  52   0.179   8.845  -0.690
  352   3HG2  ILE  52          HG23      ILE  52   0.761  10.223  -1.623
  353   1HD1  ILE  52          HD11      ILE  52   0.473   7.233  -4.862
  354   2HD1  ILE  52          HD12      ILE  52   0.061   8.686  -5.776
  355   3HD1  ILE  52          HD13      ILE  52   1.718   8.070  -5.785
  356    H    LEU  53           HN       LEU  53   1.327   5.815  -0.755
  357    HA   LEU  53           HA       LEU  53   0.931   5.246   1.397
  358   1HB   LEU  53           HB2      LEU  53   3.514   6.696   1.463
  359   2HB   LEU  53           HB3      LEU  53   2.720   6.443   3.008
  360    HG   LEU  53           HG       LEU  53   3.480   4.260   1.052
  361   1HD1  LEU  53          HD11      LEU  53   4.820   3.823   3.403
  362   2HD1  LEU  53          HD12      LEU  53   5.505   4.512   1.929
  363   3HD1  LEU  53          HD13      LEU  53   4.916   5.575   3.207
  364   1HD2  LEU  53          HD21      LEU  53   1.917   4.304   3.582
  365   2HD2  LEU  53          HD22      LEU  53   1.704   3.325   2.129
  366   3HD2  LEU  53          HD23      LEU  53   2.986   2.936   3.273
  367    HA   PRO  54           HA       PRO  54  -1.169   9.329   2.327
  368   1HB   PRO  54           HB2      PRO  54  -3.686   7.960   1.863
  369   2HB   PRO  54           HB3      PRO  54  -3.019   9.365   1.028
  370   1HG   PRO  54           HG2      PRO  54  -3.308   6.924  -0.148
  371   2HG   PRO  54           HG3      PRO  54  -2.066   8.094  -0.625
  372   1HD   PRO  54           HD2      PRO  54  -1.822   5.672   1.112
  373   2HD   PRO  54           HD3      PRO  54  -0.711   6.290  -0.131
  374    H    MET  55           HN       MET  55  -1.059   9.464   4.498
  375    HA   MET  55           HA       MET  55  -1.611   7.333   6.268
  376   1HB   MET  55           HB2      MET  55  -0.932  10.210   6.519
  377   2HB   MET  55           HB3      MET  55  -1.701   9.467   7.917
  378   1HG   MET  55           HG2      MET  55   0.090   7.644   7.662
  379   2HG   MET  55           HG3      MET  55   0.915   8.810   6.628
  380   1HE   MET  55           HE1      MET  55  -0.073   7.679  10.069
  381   2HE   MET  55           HE2      MET  55   1.646   7.423   9.772
  382   3HE   MET  55           HE3      MET  55   1.127   8.516  11.055
  383    H    ASN  56           HN       ASN  56  -3.680   9.776   4.911
  384    HA   ASN  56           HA       ASN  56  -5.928   8.500   6.213
  385   1HB   ASN  56           HB2      ASN  56  -4.939  10.618   7.534
  386   2HB   ASN  56           HB3      ASN  56  -6.031  11.441   6.426
  387   1HD2  ASN  56          HD21      ASN  56  -6.346  11.422   9.179
  388   2HD2  ASN  56          HD22      ASN  56  -7.796  10.559   9.561
  389    H    ASP  57           HN       ASP  57  -7.969   9.992   5.598
  390    HA   ASP  57           HA       ASP  57  -8.440   9.545   2.878
  391   1HB   ASP  57           HB2      ASP  57  -9.889  10.816   5.127
  392   2HB   ASP  57           HB3      ASP  57 -10.406  11.288   3.513
  393    H    SER  58           HN       SER  58  -7.339  12.429   4.543
  394    HA   SER  58           HA       SER  58  -7.891  14.325   2.555
  395   1HB   SER  58           HB2      SER  58  -5.444  14.920   3.970
  396   2HB   SER  58           HB3      SER  58  -7.017  15.721   4.065
  397    HG   SER  58           HG       SER  58  -7.648  14.317   5.639
  398    H    ALA  59           HN       ALA  59  -4.925  12.467   3.171
  399    HA   ALA  59           HA       ALA  59  -3.437  13.537   1.025
  400   1HB   ALA  59           HB1      ALA  59  -2.806  10.775   1.824
  401   2HB   ALA  59           HB2      ALA  59  -1.780  12.210   1.771
  402   3HB   ALA  59           HB3      ALA  59  -2.858  11.949   3.140
  403    H    PHE  60           HN       PHE  60  -5.849  11.047   1.167
  404    HA   PHE  60           HA       PHE  60  -5.290   9.454  -0.994
  405   1HB   PHE  60           HB2      PHE  60  -7.831  10.293   0.311
  406   2HB   PHE  60           HB3      PHE  60  -7.906   9.370  -1.192
  407    HD1  PHE  60           HD1      PHE  60  -8.819   8.486   1.623
  408    HD2  PHE  60           HD2      PHE  60  -5.233   7.888  -0.590
  409    HE1  PHE  60           HE1      PHE  60  -8.391   6.405   2.868
  410    HE2  PHE  60           HE2      PHE  60  -4.808   5.813   0.650
  411    HZ   PHE  60           HZ       PHE  60  -6.377   5.072   2.363
  412    H    ALA  61           HN       ALA  61  -6.321  12.754  -1.100
  413    HA   ALA  61           HA       ALA  61  -7.496  12.864  -3.621
  414   1HB   ALA  61           HB1      ALA  61  -6.106  14.810  -1.873
  415   2HB   ALA  61           HB2      ALA  61  -6.306  15.244  -3.572
  416   3HB   ALA  61           HB3      ALA  61  -7.718  14.869  -2.588
  417    H    THR  62           HN       THR  62  -4.183  12.377  -2.757
  418    HA   THR  62           HA       THR  62  -3.055  13.128  -5.294
  419    HB   THR  62           HB       THR  62  -0.979  12.142  -4.419
  420    HG1  THR  62           HG1      THR  62  -2.365  11.668  -1.986
  421   1HG2  THR  62          HG21      THR  62  -2.310  14.408  -3.516
  422   2HG2  THR  62          HG22      THR  62  -0.592  14.055  -3.329
  423   3HG2  THR  62          HG23      THR  62  -1.723  13.630  -2.045
  424    H    LEU  63           HN       LEU  63  -4.397  10.280  -3.877
  425    HA   LEU  63           HA       LEU  63  -3.235   8.306  -5.560
  426   1HB   LEU  63           HB2      LEU  63  -5.760   8.417  -3.914
  427   2HB   LEU  63           HB3      LEU  63  -5.397   7.035  -4.925
  428    HG   LEU  63           HG       LEU  63  -4.091   7.918  -2.382
  429   1HD1  LEU  63          HD11      LEU  63  -5.894   5.999  -2.956
  430   2HD1  LEU  63          HD12      LEU  63  -4.398   5.090  -3.161
  431   3HD1  LEU  63          HD13      LEU  63  -4.743   5.891  -1.624
  432   1HD2  LEU  63          HD21      LEU  63  -2.207   7.799  -3.824
  433   2HD2  LEU  63          HD22      LEU  63  -2.260   6.307  -2.879
  434   3HD2  LEU  63          HD23      LEU  63  -2.795   6.305  -4.561
  435    H    GLY  64           HN       GLY  64  -5.978  10.414  -5.774
  436   1HA   GLY  64           HA1      GLY  64  -6.552  11.108  -8.082
  437   2HA   GLY  64           HA2      GLY  64  -6.558   9.390  -8.477
  438    H    THR  65           HN       THR  65  -8.718   9.594  -9.179
  439    HA   THR  65           HA       THR  65 -10.721  10.339  -7.243
  440    HB   THR  65           HB       THR  65 -11.858   9.189  -9.553
  441    HG1  THR  65           HG1      THR  65 -10.777  10.193 -11.188
  442   1HG2  THR  65          HG21      THR  65 -11.838  11.697  -8.087
  443   2HG2  THR  65          HG22      THR  65 -13.175  10.873  -8.892
  444   3HG2  THR  65          HG23      THR  65 -12.085  11.907  -9.819
  445    H    VAL  66           HN       VAL  66  -9.918   8.440  -5.802
  446    HA   VAL  66           HA       VAL  66 -10.593   5.777  -6.598
  447    HB   VAL  66           HB       VAL  66 -10.688   5.418  -3.998
  448   1HG1  VAL  66          HG11      VAL  66  -8.114   5.500  -3.930
  449   2HG1  VAL  66          HG12      VAL  66  -8.878   4.461  -5.134
  450   3HG1  VAL  66          HG13      VAL  66  -8.227   6.029  -5.612
  451   1HG2  VAL  66          HG21      VAL  66  -9.592   7.030  -2.653
  452   2HG2  VAL  66          HG22      VAL  66  -9.140   7.995  -4.062
  453   3HG2  VAL  66          HG23      VAL  66 -10.830   7.888  -3.570
  454    H    GLU  67           HN       GLU  67 -12.466   4.699  -6.482
  455    HA   GLU  67           HA       GLU  67 -14.893   6.055  -6.409
  456   1HB   GLU  67           HB2      GLU  67 -14.298   3.751  -7.380
  457   2HB   GLU  67           HB3      GLU  67 -14.615   3.135  -5.764
  458   1HG   GLU  67           HG2      GLU  67 -16.484   2.988  -7.470
  459   2HG   GLU  67           HG3      GLU  67 -16.878   3.666  -5.894
  460    H    ASP  68           HN       ASP  68 -16.639   5.994  -4.955
  461    HA   ASP  68           HA       ASP  68 -16.039   6.607  -2.292
  462   1HB   ASP  68           HB2      ASP  68 -18.077   7.478  -2.679
  463   2HB   ASP  68           HB3      ASP  68 -18.429   6.315  -3.947
  464    H    LYS  69           HN       LYS  69 -17.106   3.554  -3.765
  465    HA   LYS  69           HA       LYS  69 -17.439   2.203  -1.280
  466   1HB   LYS  69           HB2      LYS  69 -17.896   0.288  -2.509
  467   2HB   LYS  69           HB3      LYS  69 -18.416   1.583  -3.577
  468   1HG   LYS  69           HG2      LYS  69 -15.682   1.012  -4.130
  469   2HG   LYS  69           HG3      LYS  69 -16.572  -0.507  -4.096
  470   1HD   LYS  69           HD2      LYS  69 -17.282   1.925  -5.738
  471   2HD   LYS  69           HD3      LYS  69 -16.530   0.452  -6.345
  472   1HE   LYS  69           HE2      LYS  69 -18.460  -0.765  -6.200
  473   2HE   LYS  69           HE3      LYS  69 -19.106   0.206  -4.880
  474   1HZ   LYS  69           HZ1      LYS  69 -20.300   1.299  -6.370
  475   2HZ   LYS  69           HZ2      LYS  69 -19.581   0.436  -7.647
  476   3HZ   LYS  69           HZ3      LYS  69 -18.880   1.871  -7.096
  477    H    TYR  70           HN       TYR  70 -14.715   2.897  -3.301
  478    HA   TYR  70           HA       TYR  70 -13.035   0.890  -2.071
  479   1HB   TYR  70           HB2      TYR  70 -12.595   3.021  -4.145
  480   2HB   TYR  70           HB3      TYR  70 -11.205   2.259  -3.367
  481    HD1  TYR  70           HD1      TYR  70 -13.334   2.084  -6.140
  482    HD2  TYR  70           HD2      TYR  70 -11.394  -0.419  -3.298
  483    HE1  TYR  70           HE1      TYR  70 -13.465   0.190  -7.711
  484    HE2  TYR  70           HE2      TYR  70 -11.520  -2.310  -4.857
  485    HH   TYR  70           HH       TYR  70 -11.846  -2.847  -7.082
  486    H    ARG  71           HN       ARG  71 -13.667   4.327  -1.791
  487    HA   ARG  71           HA       ARG  71 -11.550   4.962  -0.016
  488   1HB   ARG  71           HB2      ARG  71 -13.372   6.435  -1.328
  489   2HB   ARG  71           HB3      ARG  71 -14.118   6.390   0.265
  490   1HG   ARG  71           HG2      ARG  71 -12.559   7.705   1.188
  491   2HG   ARG  71           HG3      ARG  71 -11.250   6.985   0.247
  492   1HD   ARG  71           HD2      ARG  71 -11.486   9.253  -0.447
  493   2HD   ARG  71           HD3      ARG  71 -12.099   8.216  -1.735
  494    HE   ARG  71           HE       ARG  71 -13.858   9.610   0.185
  495   1HH1  ARG  71          HH12      ARG  71 -13.040   8.652  -3.075
  496   2HH1  ARG  71          HH11      ARG  71 -14.528   9.222  -3.762
  497   1HH2  ARG  71          HH22      ARG  71 -15.816  10.372  -0.703
  498   2HH2  ARG  71          HH21      ARG  71 -16.128  10.192  -2.408
  499    H    ARG  72           HN       ARG  72 -14.793   3.674   0.378
  500    HA   ARG  72           HA       ARG  72 -15.154   3.992   3.096
  501   1HB   ARG  72           HB2      ARG  72 -16.610   3.178   1.071
  502   2HB   ARG  72           HB3      ARG  72 -16.107   1.593   1.631
  503   1HG   ARG  72           HG2      ARG  72 -16.958   2.371   3.923
  504   2HG   ARG  72           HG3      ARG  72 -17.788   3.627   2.988
  505   1HD   ARG  72           HD2      ARG  72 -19.302   2.186   2.270
  506   2HD   ARG  72           HD3      ARG  72 -18.021   1.125   1.677
  507    HE   ARG  72           HE       ARG  72 -18.002   0.024   3.809
  508   1HH1  ARG  72          HH12      ARG  72 -20.698   2.181   3.248
  509   2HH1  ARG  72          HH11      ARG  72 -21.665   1.521   4.533
  510   1HH2  ARG  72          HH22      ARG  72 -19.278  -0.890   5.456
  511   2HH2  ARG  72          HH21      ARG  72 -20.864  -0.248   5.771
  512    H    ARG  73           HN       ARG  73 -14.355   0.857   1.516
  513    HA   ARG  73           HA       ARG  73 -13.507  -0.313   3.954
  514   1HB   ARG  73           HB2      ARG  73 -13.430  -2.252   2.808
  515   2HB   ARG  73           HB3      ARG  73 -14.250  -1.322   1.563
  516   1HG   ARG  73           HG2      ARG  73 -11.284  -1.337   1.548
  517   2HG   ARG  73           HG3      ARG  73 -12.131  -2.807   1.057
  518   1HD   ARG  73           HD2      ARG  73 -13.469  -0.677  -0.165
  519   2HD   ARG  73           HD3      ARG  73 -11.748  -0.372  -0.395
  520    HE   ARG  73           HE       ARG  73 -11.547  -2.470  -1.515
  521   1HH1  ARG  73          HH12      ARG  73 -14.862  -1.539  -0.839
  522   2HH1  ARG  73          HH11      ARG  73 -15.540  -2.664  -1.982
  523   1HH2  ARG  73          HH22      ARG  73 -12.410  -3.900  -3.035
  524   2HH2  ARG  73          HH21      ARG  73 -14.133  -4.005  -3.256
  525    H    PHE  74           HN       PHE  74 -12.011   1.975   2.141
  526    HA   PHE  74           HA       PHE  74  -9.296   1.285   2.058
  527   1HB   PHE  74           HB2      PHE  74 -10.829   3.640   1.654
  528   2HB   PHE  74           HB3      PHE  74  -9.604   4.045   2.847
  529    HD1  PHE  74           HD1      PHE  74 -10.177   4.627  -0.302
  530    HD2  PHE  74           HD2      PHE  74  -7.335   2.451   1.989
  531    HE1  PHE  74           HE1      PHE  74  -8.541   4.863  -2.119
  532    HE2  PHE  74           HE2      PHE  74  -5.685   2.683   0.183
  533    HZ   PHE  74           HZ       PHE  74  -6.253   4.014  -1.831
  534    H    LYS  75           HN       LYS  75 -11.409   2.289   4.599
  535    HA   LYS  75           HA       LYS  75  -9.741   3.103   6.637
  536   1HB   LYS  75           HB2      LYS  75 -11.520   2.354   8.158
  537   2HB   LYS  75           HB3      LYS  75 -12.175   3.201   6.763
  538   1HG   LYS  75           HG2      LYS  75 -12.628   0.964   5.719
  539   2HG   LYS  75           HG3      LYS  75 -12.161   0.231   7.262
  540   1HD   LYS  75           HD2      LYS  75 -14.138   2.379   7.506
  541   2HD   LYS  75           HD3      LYS  75 -14.688   0.982   6.580
  542   1HE   LYS  75           HE2      LYS  75 -13.416  -0.143   8.761
  543   2HE   LYS  75           HE3      LYS  75 -14.247   1.260   9.435
  544   1HZ   LYS  75           HZ1      LYS  75 -15.363  -1.160   8.232
  545   2HZ   LYS  75           HZ2      LYS  75 -16.204   0.299   7.974
  546   3HZ   LYS  75           HZ3      LYS  75 -15.931  -0.250   9.543
  547    H    TYR  76           HN       TYR  76 -10.236  -0.140   5.404
  548    HA   TYR  76           HA       TYR  76  -9.109  -1.426   7.720
  549   1HB   TYR  76           HB2      TYR  76  -9.772  -2.511   4.974
  550   2HB   TYR  76           HB3      TYR  76  -9.237  -3.490   6.339
  551    HD1  TYR  76           HD1      TYR  76 -12.028  -2.580   4.565
  552    HD2  TYR  76           HD2      TYR  76 -10.680  -2.878   8.586
  553    HE1  TYR  76           HE1      TYR  76 -14.358  -2.797   5.324
  554    HE2  TYR  76           HE2      TYR  76 -13.000  -3.097   9.358
  555    HH   TYR  76           HH       TYR  76 -15.632  -2.310   7.606
  556    H    PHE  77           HN       PHE  77  -7.817   0.283   5.188
  557    HA   PHE  77           HA       PHE  77  -5.241  -1.139   5.370
  558   1HB   PHE  77           HB2      PHE  77  -6.612   0.342   3.194
  559   2HB   PHE  77           HB3      PHE  77  -4.875   0.538   3.308
  560    HD1  PHE  77           HD1      PHE  77  -6.772  -0.814   1.202
  561    HD2  PHE  77           HD2      PHE  77  -4.207  -2.265   4.263
  562    HE1  PHE  77           HE1      PHE  77  -6.471  -2.899  -0.050
  563    HE2  PHE  77           HE2      PHE  77  -3.908  -4.364   3.016
  564    HZ   PHE  77           HZ       PHE  77  -5.034  -4.670   0.846
  565    H    LYS  78           HN       LYS  78  -6.958   1.686   6.169
  566    HA   LYS  78           HA       LYS  78  -4.991   3.660   6.079
  567   1HB   LYS  78           HB2      LYS  78  -7.640   3.453   7.004
  568   2HB   LYS  78           HB3      LYS  78  -6.701   4.021   8.375
  569   1HG   LYS  78           HG2      LYS  78  -6.618   6.062   7.538
  570   2HG   LYS  78           HG3      LYS  78  -5.937   5.460   6.026
  571   1HD   LYS  78           HD2      LYS  78  -7.939   6.534   5.418
  572   2HD   LYS  78           HD3      LYS  78  -8.310   4.809   5.393
  573   1HE   LYS  78           HE2      LYS  78 -10.036   5.271   6.724
  574   2HE   LYS  78           HE3      LYS  78  -8.862   5.586   7.997
  575   1HZ   LYS  78           HZ1      LYS  78  -8.830   7.902   7.393
  576   2HZ   LYS  78           HZ2      LYS  78 -10.439   7.431   7.664
  577   3HZ   LYS  78           HZ3      LYS  78  -9.875   7.630   6.084
  578    H    ALA  79           HN       ALA  79  -5.558   1.161   8.473
  579    HA   ALA  79           HA       ALA  79  -3.850   2.315  10.455
  580   1HB   ALA  79           HB1      ALA  79  -3.914  -0.100  11.368
  581   2HB   ALA  79           HB2      ALA  79  -5.402   0.846  11.350
  582   3HB   ALA  79           HB3      ALA  79  -5.115  -0.375  10.106
  583    H    THR  80           HN       THR  80  -3.423   0.098   7.791
  584    HA   THR  80           HA       THR  80  -0.740  -0.638   8.538
  585    HB   THR  80           HB       THR  80  -1.691  -1.041   5.769
  586    HG1  THR  80           HG1      THR  80  -2.857  -2.498   7.915
  587   1HG2  THR  80          HG21      THR  80  -0.357  -2.689   7.898
  588   2HG2  THR  80          HG22      THR  80   0.313  -2.136   6.364
  589   3HG2  THR  80          HG23      THR  80  -0.925  -3.393   6.385
  590    H    ILE  81           HN       ILE  81  -2.226   1.389   6.006
  591    HA   ILE  81           HA       ILE  81   0.174   2.135   4.750
  592    HB   ILE  81           HB       ILE  81  -2.454   3.635   4.916
  593   1HG1  ILE  81          HG12      ILE  81  -1.374   1.889   2.707
  594   2HG1  ILE  81          HG13      ILE  81  -2.510   1.328   3.931
  595   1HG2  ILE  81          HG21      ILE  81  -0.268   3.988   2.882
  596   2HG2  ILE  81          HG22      ILE  81  -1.777   4.896   3.004
  597   3HG2  ILE  81          HG23      ILE  81  -0.538   5.066   4.252
  598   1HD1  ILE  81          HD11      ILE  81  -4.252   2.461   3.026
  599   2HD1  ILE  81          HD12      ILE  81  -3.239   3.755   2.395
  600   3HD1  ILE  81          HD13      ILE  81  -3.309   2.195   1.561
  601    H    ALA  82           HN       ALA  82  -1.478   3.376   7.579
  602    HA   ALA  82           HA       ALA  82   0.076   5.760   7.858
  603   1HB   ALA  82           HB1      ALA  82  -1.158   4.417  10.218
  604   2HB   ALA  82           HB2      ALA  82  -1.111   6.130   9.794
  605   3HB   ALA  82           HB3      ALA  82  -2.216   5.042   8.953
  606    H    ASP  83           HN       ASP  83   0.538   2.433   8.626
  607    HA   ASP  83           HA       ASP  83   2.734   2.962  10.475
  608   1HB   ASP  83           HB2      ASP  83   0.961   0.974  10.534
  609   2HB   ASP  83           HB3      ASP  83   2.157   0.206   9.492
  610    H    LEU  84           HN       LEU  84   2.185   1.692   7.242
  611    HA   LEU  84           HA       LEU  84   4.749   0.794   6.669
  612   1HB   LEU  84           HB2      LEU  84   2.632   1.937   4.864
  613   2HB   LEU  84           HB3      LEU  84   4.137   1.253   4.269
  614    HG   LEU  84           HG       LEU  84   2.472  -0.414   6.095
  615   1HD1  LEU  84          HD11      LEU  84   1.543  -1.177   3.676
  616   2HD1  LEU  84          HD12      LEU  84   0.675  -0.108   4.782
  617   3HD1  LEU  84          HD13      LEU  84   1.624   0.573   3.464
  618   1HD2  LEU  84          HD21      LEU  84   3.889  -1.988   5.407
  619   2HD2  LEU  84          HD22      LEU  84   3.488  -1.666   3.719
  620   3HD2  LEU  84          HD23      LEU  84   4.768  -0.749   4.512
  621    H    SER  85           HN       SER  85   3.538   4.069   6.790
  622    HA   SER  85           HA       SER  85   5.584   5.282   5.269
  623   1HB   SER  85           HB2      SER  85   4.721   7.166   7.137
  624   2HB   SER  85           HB3      SER  85   4.038   6.888   5.538
  625    HG   SER  85           HG       SER  85   2.366   5.924   6.374
  626    H    LYS  86           HN       LYS  86   5.359   4.152   8.557
  627    HA   LYS  86           HA       LYS  86   7.855   5.455   9.345
  628   1HB   LYS  86           HB2      LYS  86   5.970   3.627  10.864
  629   2HB   LYS  86           HB3      LYS  86   7.415   4.348  11.554
  630   1HG   LYS  86           HG2      LYS  86   6.294   6.182  12.077
  631   2HG   LYS  86           HG3      LYS  86   5.781   6.405  10.401
  632   1HD   LYS  86           HD2      LYS  86   3.791   6.221  11.667
  633   2HD   LYS  86           HD3      LYS  86   3.997   4.661  10.868
  634   1HE   LYS  86           HE2      LYS  86   5.201   3.985  13.072
  635   2HE   LYS  86           HE3      LYS  86   4.367   5.381  13.753
  636   1HZ   LYS  86           HZ1      LYS  86   3.168   2.941  12.564
  637   2HZ   LYS  86           HZ2      LYS  86   2.263   4.352  12.853
  638   3HZ   LYS  86           HZ3      LYS  86   2.994   3.535  14.140
  639    H    LYS  87           HN       LYS  87   6.510   2.342   8.534
  640    HA   LYS  87           HA       LYS  87   8.709   0.721   9.258
  641   1HB   LYS  87           HB2      LYS  87   6.551   0.283   7.182
  642   2HB   LYS  87           HB3      LYS  87   7.655  -0.956   7.759
  643   1HG   LYS  87           HG2      LYS  87   6.227   0.410   9.886
  644   2HG   LYS  87           HG3      LYS  87   5.173  -0.411   8.731
  645   1HD   LYS  87           HD2      LYS  87   6.089  -2.489   9.165
  646   2HD   LYS  87           HD3      LYS  87   7.571  -1.809   9.844
  647   1HE   LYS  87           HE2      LYS  87   5.106  -1.045  11.211
  648   2HE   LYS  87           HE3      LYS  87   5.508  -2.759  11.324
  649   1HZ   LYS  87           HZ1      LYS  87   7.790  -1.958  12.055
  650   2HZ   LYS  87           HZ2      LYS  87   6.520  -1.757  13.159
  651   3HZ   LYS  87           HZ3      LYS  87   7.078  -0.426  12.263
  652    H    ARG  88           HN       ARG  88   8.080   2.752   6.510
  653    HA   ARG  88           HA       ARG  88   9.781   1.590   4.609
  654   1HB   ARG  88           HB2      ARG  88   8.087   3.628   4.491
  655   2HB   ARG  88           HB3      ARG  88   9.552   4.557   4.746
  656   1HG   ARG  88           HG2      ARG  88  10.429   3.014   2.780
  657   2HG   ARG  88           HG3      ARG  88   8.701   2.961   2.414
  658   1HD   ARG  88           HD2      ARG  88   8.924   4.935   1.411
  659   2HD   ARG  88           HD3      ARG  88   9.276   5.646   2.983
  660    HE   ARG  88           HE       ARG  88  11.672   5.117   2.478
  661   1HH1  ARG  88          HH12      ARG  88   9.324   5.504  -0.118
  662   2HH1  ARG  88          HH11      ARG  88  10.505   6.053  -1.277
  663   1HH2  ARG  88          HH22      ARG  88  13.240   5.806   0.933
  664   2HH2  ARG  88          HH21      ARG  88  12.733   6.191  -0.683
  665    H    SER  89           HN       SER  89  10.417   3.547   7.400
  666    HA   SER  89           HA       SER  89  13.242   3.779   6.649
  667   1HB   SER  89           HB2      SER  89  12.570   5.153   9.112
  668   2HB   SER  89           HB3      SER  89  13.185   5.825   7.599
  669    HG   SER  89           HG       SER  89  11.255   6.722   7.635
  670    H    SER  90           HN       SER  90  11.125   2.850   9.365
  671    HA   SER  90           HA       SER  90  13.214   0.970  10.228
  672   1HB   SER  90           HB2      SER  90  11.502   2.148  12.345
  673   2HB   SER  90           HB3      SER  90  13.207   1.694  12.398
  674    HG   SER  90           HG       SER  90  12.012   4.073  11.435
  675    H    GLU  91           HN       GLU  91  12.270  -0.863   9.478
  676    HA   GLU  91           HA       GLU  91   9.479  -1.383   9.630
  677   1HB   GLU  91           HB2      GLU  91   9.996  -3.553   8.761
  678   2HB   GLU  91           HB3      GLU  91  11.014  -2.384   7.945
  679   1HG   GLU  91           HG2      GLU  91  11.928  -4.038  10.265
  680   2HG   GLU  91           HG3      GLU  91  12.114  -4.536   8.586