*HEADER    TRANSCRIPTION                           25-FEB-16   5IEW              
*TITLE     NMR STRUCTURES SHOW UNWINDING OF THE GCN4P COILED COIL SUPERHELIX     
*TITLE    2 ACCOMPANYING DISRUPTION OF ION PAIRS AT ACIDIC PH                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GENERAL CONTROL PROTEIN GCN4;                              
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: UNP RESIDUES 250-280;                                      
*COMPND   5 SYNONYM: AMINO ACID BIOSYNTHESIS REGULATORY PROTEIN;                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 ORGANISM_TAXID: 4932;                                                
*SOURCE   5 GENE: GCN4, AAS3, ARG9, YEL009C;                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    SUPERCOIL PARAMETERS, LEUCINE ZIPPER, SALT BRIDGE, CLOSELY RELATED    
*KEYWDS   2 NMR STRUCTURES, CONFORMATIONAL TRANSITION, ELECTROSTATICS, KNOBS-    
*KEYWDS   3 INTO-HOLES, CANONICAL ALPHA HELIX, TRANSCRIPTION                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.R.BRADY,A.R.KAPLAN,A.T.ALEXANDRESCU                                 
*REVDAT   1   15-MAR-17 5IEW    0                                                
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# Restraints file 2: 66_noe.tbl
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ASSI {    2}
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!15 HB2, 14HB2

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   (( segid "   B" and resid 6    and name  HA  ))
   (  segid "   B" and resid 6    and name  HD21)
      3.645     0.729     0.729 peak     7 weight  1.00000E+00 volume  1.85561E+06 ppm1      4.176 ppm2      0.874

!10HG1#

 ASSI {   10}
   (( segid "   A" and resid 10   and name  HB ))
   (  segid "   A" and resid 10   and name  HG22)
      3.474     0.695     0.695 peak    10 weight  1.00000E+00 volume  2.47640E+06 ppm1      0.985 ppm2      2.148

 ASSI {   10}
   (( segid "   B" and resid 10   and name  HB ))
   (  segid "   B" and resid 10   and name  HG22)
      3.474     0.695     0.695 peak    10 weight  1.00000E+00 volume  2.47640E+06 ppm1      0.985 ppm2      2.148
!11HG1

 ASSI {   11}
   (( segid "   B" and resid 6    and name  HA  ))
   (  segid "   A" and resid 10   and name  HG2#)
      3.915     0.783     0.783 peak    11 weight  1.00000E+00 volume  1.20827E+06 ppm1      0.989 ppm2      4.159

 ASSI {   11}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   B" and resid 10   and name  HG2#)
      3.915     0.783     0.783 peak    11 weight  1.00000E+00 volume  1.20827E+06 ppm1      0.989 ppm2      4.159
!11HA

 ASSI {   13}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      4.360     0.872     0.872 peak    13 weight  1.00000E+00 volume  6.33735E+05 ppm1      4.196 ppm2      2.064

ASSI {   13}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 11   and name  HB2 ))
      4.360     0.872     0.872 peak    13 weight  1.00000E+00 volume  6.33735E+05 ppm1      4.196 ppm2      2.064
!11HA

 ASSI {   14}
   (( segid "   B" and resid 9    and name  HA  ))
   (  segid "   B" and resid 9    and name  HG2#)
      3.815     0.763     0.763 peak    14 weight  1.00000E+00 volume  1.41323E+06 ppm1      4.201 ppm2      0.860

ASSI {   14}
   (( segid "   A" and resid 9    and name  HA  ))
   (  segid "   A" and resid 9    and name  HG2#)
      3.815     0.763     0.763 peak    14 weight  1.00000E+00 volume  1.41323E+06 ppm1      4.201 ppm2      0.860
!10HG1#

 ASSI {   15}
   (( segid "   B" and resid 3    and name  HA  ))
   (( segid "   B" and resid 6    and name  HB1 ))
      4.221     0.844     0.844 peak    15 weight  1.00000E+00 volume  7.70245E+05 ppm1      4.201 ppm2      1.577

ASSI {   15}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      4.221     0.844     0.844 peak    15 weight  1.00000E+00 volume  7.70245E+05 ppm1      4.201 ppm2      1.577
!16HA, 16HG1

 ASSI {   16}
   (( segid "   B" and resid 30   and name  HB1 ))
   (  segid "   B" and resid 30   and name  HD11)
      3.979     0.796     0.796 peak    16 weight  1.00000E+00 volume  1.09730E+06 ppm1      1.608 ppm2      0.875

 ASSI {   16}
   (( segid "   A" and resid 30   and name  HB1 ))
   (  segid "   A" and resid 30   and name  HD11)
      3.979     0.796     0.796 peak    16 weight  1.00000E+00 volume  1.09730E+06 ppm1      1.608 ppm2      0.875
!10HG1#

! ASSI {   17}
!   (( segid "   A" and resid 9    and name  HB1 ))
!   (( segid "   A" and resid 11   and name  HB2 ))
!      3.975     0.795     0.795 peak    17 weight  1.00000E+00 volume  1.10311E+06 ppm1      1.608 ppm2      2.084

 ASSI {   19}
   (( segid "   A" and resid 30   and name  HA  ))
   (  segid "   A" and resid 30   and name  HD11)
      3.888     0.778     0.778 peak    19 weight  1.00000E+00 volume  1.26071E+06 ppm1      0.923 ppm2      4.189

ASSI {   19}
   (( segid "   B" and resid 30   and name  HA  ))
   (  segid "   B" and resid 30   and name  HD11)
      3.888     0.778     0.778 peak    19 weight  1.00000E+00 volume  1.26071E+06 ppm1      0.923 ppm2      4.189
!11HA

 ASSI {   21}
   (  segid "   A" and resid 31   and name  HG21)
   (( segid "   B" and resid 30   and name  HG  ))
      4.996     0.999     0.999 peak    21 weight  1.00000E+00 volume  2.79910E+05 ppm1      2.094 ppm2      0.945

 ASSI {   21}
   (  segid "   B" and resid 31   and name  HG21)
   (( segid "   A" and resid 30   and name  HG  ))
      4.996     0.999     0.999 peak    21 weight  1.00000E+00 volume  2.79910E+05 ppm1      2.094 ppm2      0.945
!14HD1#

 ASSI {   23}
   (( segid "   A" and resid 30   and name  HB2 ))
   (  segid "   A" and resid 30   and name  HD21)
      4.085     0.817     0.817 peak    23 weight  1.00000E+00 volume  9.36461E+05 ppm1      0.922 ppm2      2.027

ASSI {   23}
   (( segid "   B" and resid 30   and name  HB2 ))
   (  segid "   B" and resid 30   and name  HD21)
      4.085     0.817     0.817 peak    23 weight  1.00000E+00 volume  9.36461E+05 ppm1      0.922 ppm2      2.027
!11HB1

 ASSI {   26}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   B" and resid 20   and name  HB2 ))
      3.595     0.719     0.719 peak    26 weight  1.00000E+00 volume  2.01537E+06 ppm1      3.949 ppm2      1.924

ASSI {   26}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      3.595     0.719     0.719 peak    26 weight  1.00000E+00 volume  2.01537E+06 ppm1      3.949 ppm2      1.924
!16HB1

! ASSI {   27}
!   (( segid "   A" and resid 13   and name  HA  ))
!   (( segid "   B" and resid 13   and name  HB1 ))
!      4.123     0.825     0.825 peak    27 weight  1.00000E+00 volume  8.86470E+05 ppm1      3.949 ppm2      1.284

 ASSI {   28}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 20   and name  HD2#)
      3.209     0.642     0.642 peak    28 weight  1.00000E+00 volume  3.98983E+06 ppm1      3.949 ppm2      0.831

ASSI {   28}
   (( segid "   B" and resid 20   and name  HA  ))
   (  segid "   B" and resid 20   and name  HD2#)
      3.209     0.642     0.642 peak    28 weight  1.00000E+00 volume  3.98983E+06 ppm1      3.949 ppm2      0.831
!13HD2

 ASSI {   29}
   (( segid "   A" and resid 14   and name  HB1 ))
   (  segid "   A" and resid 14   and name  HD1#)
      4.195     0.839     0.839 peak    29 weight  1.00000E+00 volume  7.98578E+05 ppm1      1.952 ppm2      0.831

ASSI {   29}
   (( segid "   B" and resid 14   and name  HB1 ))
   (  segid "   B" and resid 14   and name  HD1#)
      4.195     0.839     0.839 peak    29 weight  1.00000E+00 volume  7.98578E+05 ppm1      1.952 ppm2      0.831
!13HD1#

! ASSI {   30}
!   (( segid "   A" and resid 14   and name  HB1 ))
!   (( segid "   B" and resid 13   and name  HB1 ))
!      4.437     0.887     0.887 peak    30 weight  1.00000E+00 volume  5.70811E+05 ppm1      1.962 ppm2      1.290

 ASSI {   32}
   (( segid "   A" and resid 16   and name  HB1 ))
   (  segid "   A" and resid 13   and name  HD22)
      4.183     0.837     0.837 peak    32 weight  1.00000E+00 volume  8.12453E+05 ppm1      0.818 ppm2      1.917

 ASSI {   32}
   (( segid "   B" and resid 16   and name  HB1 ))
   (  segid "   B" and resid 13   and name  HD22)
      4.183     0.837     0.837 peak    32 weight  1.00000E+00 volume  8.12453E+05 ppm1      0.818 ppm2      1.917
!16HD1#

 ASSI {   33}
   (( segid "   B" and resid 20   and name  HA  ))
   (  segid "   B" and resid 20   and name  HD1#)
      3.976     0.795     0.795 peak    33 weight  1.00000E+00 volume  1.10210E+06 ppm1      0.813 ppm2      3.937

 ASSI {   33}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 20   and name  HD1#)
      3.976     0.795     0.795 peak    33 weight  1.00000E+00 volume  1.10210E+06 ppm1      0.813 ppm2      3.937
!16HD1#

 ASSI {   34}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 12   and name  HB1 ))
      4.900     0.980     0.980 peak    34 weight  1.00000E+00 volume  3.14670E+05 ppm1      0.813 ppm2      1.329

ASSI {   34}
   (  segid "   B" and resid 16   and name  HD1#)
   (( segid "   B" and resid 12   and name  HB1 ))
      4.900     0.980     0.980 peak    34 weight  1.00000E+00 volume  3.14670E+05 ppm1      0.813 ppm2      1.329
!20HB1

! ASSI {   39}
!   (( segid "   B" and resid 26   and name  HB2 ))
!   (( segid "   A" and resid 11   and name  HB2 ))
!      3.858     0.772     0.772 peak    39 weight  1.00000E+00 volume  1.32125E+06 ppm1      1.868 ppm2      2.113

 ASSI {   40}
   (( segid "   B" and resid 20   and name  HG ))
   (( segid "   B" and resid 16   and name  HE2 ))
      5.301     1.060     1.060 peak    40 weight  1.00000E+00 volume  1.96093E+05 ppm1      1.873 ppm2      2.928

 ASSI {   40}
   (( segid "   A" and resid 20   and name  HG ))
   (( segid "   A" and resid 16   and name  HE2 ))
      5.301     1.060     1.060 peak    40 weight  1.00000E+00 volume  1.96093E+05 ppm1      1.873 ppm2      2.928

 ASSI {   46}
   (( segid "   B" and resid 10   and name  HA  ))
   (  segid "   B" and resid 10   and name  HG1#)
      3.282     0.656     0.656 peak    46 weight  1.00000E+00 volume  3.48077E+06 ppm1      3.388 ppm2      0.874

ASSI {   46}
   (( segid "   A" and resid 10   and name  HA  ))
   (  segid "   A" and resid 10   and name  HG1#)
      3.282     0.656     0.656 peak    46 weight  1.00000E+00 volume  3.48077E+06 ppm1      3.388 ppm2      0.874

! ASSI {   49}
!   (( segid "   A" and resid 10   and name  HA  ))
!   (  segid "   B" and resid 10   and name  HG2#)
!      3.566     0.713     0.713 peak    49 weight  1.00000E+00 volume  2.11807E+06 ppm1      1.042 ppm2      3.414

 ASSI {   51}
   (  segid "   B" and resid 9    and name  HD2)
   (( segid "   B" and resid 12   and name  HB2 ))
      3.334     0.667     0.667 peak    51 weight  1.00000E+00 volume  3.17131E+06 ppm1      0.889 ppm2      2.071

ASSI {   51}
   (  segid "   A" and resid 9    and name  HD2)
   (( segid "   A" and resid 12   and name  HB2 ))
      3.334     0.667     0.667 peak    51 weight  1.00000E+00 volume  3.17131E+06 ppm1      0.889 ppm2      2.071

 ASSI {   52}
   (( segid "   B" and resid 24   and name  HA  ))
   (  segid "   B" and resid 24   and name  HG1#)
      3.674     0.735     0.735 peak    52 weight  1.00000E+00 volume  1.77063E+06 ppm1      0.894 ppm2      3.392

 ASSI {   52}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 24   and name  HG1#)
      3.674     0.735     0.735 peak    52 weight  1.00000E+00 volume  1.77063E+06 ppm1      0.894 ppm2      3.392
!10HA

 ASSI {   53}
   (  segid "   A" and resid 6    and name  HD22)
   (  segid "   B" and resid 10   and name  HG21)
      3.520     0.704     0.704 peak    53 weight  1.00000E+00 volume  -2.28733E+06 ppm1      0.909 ppm2      1.103

 ASSI {   53}
   (  segid "   B" and resid 6    and name  HD22)
   (  segid "   A" and resid 10   and name  HG21)
      3.520     0.704     0.704 peak    53 weight  1.00000E+00 volume  -2.28733E+06 ppm1      0.909 ppm2      1.103
!24HG1#

 ASSI {   54}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 26   and name  HG1 ))
      3.702     0.740     0.740 peak    54 weight  1.00000E+00 volume  1.69199E+06 ppm1      4.456 ppm2      2.105

ASSI {   54}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 26   and name  HG1 ))
      3.702     0.740     0.740 peak    54 weight  1.00000E+00 volume  1.69199E+06 ppm1      4.456 ppm2      2.105
!11HB2

 ASSI {   56}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 24   and name  HB ))
      5.397     1.079     1.079 peak    56 weight  1.00000E+00 volume  1.76089E+05 ppm1      2.079 ppm2      4.469

ASSI {   56}
   (( segid "   B" and resid 22   and name  HA  ))
   (( segid "   B" and resid 24   and name  HB ))
      5.397     1.079     1.079 peak    56 weight  1.00000E+00 volume  1.76089E+05 ppm1      2.079 ppm2      4.469
!23HB2

! ASSI {   57}
!   (( segid "   A" and resid 17   and name  HA  ))
!   (( segid "   B" and resid 17   and name  HB2 ))
!      4.121     0.824     0.824 peak    57 weight  1.00000E+00 volume  8.88348E+05 ppm1      4.433 ppm2      2.740
!22HA

! ASSI {   58}
!   (( segid "   B" and resid 18   and name  HB2 ))
!   (( segid "   B" and resid 15   and name  HB1 ))
!      4.374     0.875     0.875 peak    58 weight  1.00000E+00 volume  6.21562E+05 ppm1      2.751 ppm2      4.397

 ASSI {   61}
   (( segid "   B" and resid 11   and name  HG1 ))
   (( segid "   B" and resid 10   and name  HB  ))
      3.684     0.737     0.737 peak    61 weight  1.00000E+00 volume  1.74140E+06 ppm1      2.487 ppm2      2.193

ASSI {   61}
   (( segid "   A" and resid 11   and name  HG1 ))
   (( segid "   A" and resid 10   and name  HB  ))
      3.684     0.737     0.737 peak    61 weight  1.00000E+00 volume  1.74140E+06 ppm1      2.487 ppm2      2.193

 ASSI {   64}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HG ))
      3.592     0.918     0.918 peak    64 weight  1.00000E+00 volume  2.02774E+06 ppm1      3.947 ppm2      2.096

ASSI {   64}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   B" and resid 20   and name  HG ))
      3.592     0.918     0.918 peak    64 weight  1.00000E+00 volume  2.02774E+06 ppm1      3.947 ppm2      2.096
!11HB2

 ASSI {   65}
   (( segid "   B" and resid 13   and name  HA  ))
   (  segid "   B" and resid 13   and name  HD21)
      3.312     0.662     0.662 peak    65 weight  1.00000E+00 volume  3.30132E+06 ppm1      3.949 ppm2      0.882

ASSI {   65}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD21)
      3.312     0.662     0.662 peak    65 weight  1.00000E+00 volume  3.30132E+06 ppm1      3.949 ppm2      0.882
!10HG1#

 ASSI {   66}
   (( segid "   B" and resid 24   and name  HB  ))
   (( segid "   A" and resid 20   and name  HB1 ))
      4.011     0.802     0.802 peak    66 weight  1.00000E+00 volume  1.04563E+06 ppm1      1.316 ppm2      2.095

 ASSI {   66}
   (( segid "   A" and resid 24   and name  HB  ))
   (( segid "   B" and resid 20   and name  HB1 ))
      4.011     0.802     0.802 peak    66 weight  1.00000E+00 volume  1.04563E+06 ppm1      1.316 ppm2      2.095
!11HB2, inter

 ASSI {   67}
   (  segid "   B" and resid 20   and name  HD1#)
   (( segid "   A" and resid 20   and name  HB1 ))
      3.777     0.755     0.755 peak    67 weight  1.00000E+00 volume  1.50058E+06 ppm1      1.316 ppm2      0.883

 ASSI {   67}
   (  segid "   A" and resid 20   and name  HD1#)
   (( segid "   B" and resid 20   and name  HB1 ))
      3.777     0.755     0.755 peak    67 weight  1.00000E+00 volume  1.50058E+06 ppm1      1.316 ppm2      0.883
!10HG1#

 ASSI {   68}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB1 ))
      4.874     0.975     0.975 peak    68 weight  1.00000E+00 volume  3.24855E+05 ppm1      1.316 ppm2      3.967

 ASSI {   68}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   B" and resid 20   and name  HB1 ))
      4.874     0.975     0.975 peak    68 weight  1.00000E+00 volume  3.24855E+05 ppm1      1.316 ppm2      3.967

! ASSI {   69}
!   (( segid "   A" and resid 19   and name  HA  ))
!   (( segid "   B" and resid 19   and name  HB2 ))
!      4.057     0.811     0.811 peak    69 weight  1.00000E+00 volume  9.76036E+05 ppm1      4.346 ppm2      3.337

 ASSI {   70}
   (( segid "   B" and resid 26   and name  HD2 ))
   (( segid "   B" and resid 26   and name  HA ))
      4.285     0.857     0.857 peak    70 weight  1.00000E+00 volume  7.03201E+05 ppm1      3.332 ppm2      4.322

ASSI {   70}
   (( segid "   A" and resid 26   and name  HD2 ))
   (( segid "   A" and resid 26   and name  HA ))
      4.285     0.857     0.857 peak    70 weight  1.00000E+00 volume  7.03201E+05 ppm1      3.332 ppm2      4.322
!19HB2, 15HB1

 ASSI {   71}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      3.753     0.751     0.751 peak    71 weight  1.00000E+00 volume  1.55800E+06 ppm1      4.361 ppm2      3.212

ASSI {   71}
   (( segid "   B" and resid 18   and name  HA  ))
   (( segid "   B" and resid 17   and name  HB1 ))
      3.753     0.751     0.751 peak    71 weight  1.00000E+00 volume  1.55800E+06 ppm1      4.361 ppm2      3.212

 ASSI {   73}
   (( segid "   A" and resid 18   and name  HB1 ))
   (( segid "   A" and resid 19   and name  HA  ))
      4.225     0.845     0.845 peak    73 weight  1.00000E+00 volume  7.65805E+05 ppm1      3.183 ppm2      4.378

 ASSI {   73}
   (( segid "   B" and resid 18   and name  HB1 ))
   (( segid "   B" and resid 19   and name  HA  ))
      4.225     0.845     0.845 peak    73 weight  1.00000E+00 volume  7.65805E+05 ppm1      3.183 ppm2      4.378
!15HB1

 ASSI {   77}
   (( segid "   B" and resid 18   and name  HB2 ))
   (( segid "   B" and resid 17   and name  HB1 ))
      4.423     0.885     0.885 peak    77 weight  1.00000E+00 volume  5.81161E+05 ppm1      3.269 ppm2      2.732

 ASSI {   77}
   (( segid "   A" and resid 18   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HB1 ))
      4.423     0.885     0.885 peak    77 weight  1.00000E+00 volume  5.81161E+05 ppm1      3.269 ppm2      2.732
!17HB2

! ASSI {   78}
!   (( segid "   A" and resid 17   and name  HB2 ))
!   (( segid "   A" and resid 16   and name  HE1 ))
!      3.980     0.796     0.796 peak    78 weight  1.00000E+00 volume  1.09596E+06 ppm1      2.760 ppm2      3.260

 ASSI {   79}
   (( segid "   B" and resid 17   and name  HB1 ))
   (( segid "   B" and resid 18   and name  HA ))
      4.324     0.865     0.865 peak    79 weight  1.00000E+00 volume  6.66243E+05 ppm1      3.265 ppm2      4.380

ASSI {   79}
   (( segid "   A" and resid 17   and name  HB1 ))
   (( segid "   A" and resid 18   and name  HA ))
      4.324     0.865     0.865 peak    79 weight  1.00000E+00 volume  6.66243E+05 ppm1      3.265 ppm2      4.380
!15HB1

 ASSI {   80}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HA ))
      4.380     0.876     0.876 peak    80 weight  1.00000E+00 volume  6.16229E+05 ppm1      2.750 ppm2      4.375

ASSI {   80}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 13   and name  HA ))
      4.380     0.876     0.876 peak    80 weight  1.00000E+00 volume  6.16229E+05 ppm1      2.750 ppm2      4.375
!15HB1

 ASSI {   81}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 13   and name  HG  ))
      4.035     0.807     0.807 peak    81 weight  1.00000E+00 volume  1.00931E+06 ppm1      4.219 ppm2      1.848

 ASSI {   81}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 13   and name  HG  ))
      4.035     0.807     0.807 peak    81 weight  1.00000E+00 volume  1.00931E+06 ppm1      4.219 ppm2      1.848
!16HA

 ASSI {   82}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 16   and name  HB2 ))
      4.573     0.915     0.915 peak    82 weight  1.00000E+00 volume  4.75863E+05 ppm1      4.219 ppm2      1.665

 ASSI {   82}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      4.573     0.915     0.915 peak    82 weight  1.00000E+00 volume  4.75863E+05 ppm1      4.219 ppm2      1.665
!16HA

! ASSI {   84}
!   (( segid "   A" and resid 11   and name  HA  ))
!   (( segid "   B" and resid 16   and name  HB1 ))
!      4.091     0.818     0.818 peak    84 weight  1.00000E+00 volume  9.28458E+05 ppm1      1.869 ppm2      4.171

 ASSI {   86}
   (( segid "   A" and resid 14   and name  HG ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.663     0.733     0.733 peak    86 weight  1.00000E+00 volume  1.80344E+06 ppm1      1.855 ppm2      1.442

ASSI {   86}
   (( segid "   B" and resid 14   and name  HG ))
   (( segid "   B" and resid 14   and name  HB2 ))
      3.663     0.733     0.733 peak    86 weight  1.00000E+00 volume  1.80344E+06 ppm1      1.855 ppm2      1.442
!16HB1

 ASSI {   87}
   (( segid "   B" and resid 6    and name  HA  ))
   (  segid "   B" and resid 6    and name  HD21)
      3.686     0.737     0.737 peak    87 weight  1.00000E+00 volume  1.73609E+06 ppm1      4.149 ppm2      0.860

ASSI {   87}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 6    and name  HD21)
      3.686     0.737     0.737 peak    87 weight  1.00000E+00 volume  1.73609E+06 ppm1      4.149 ppm2      0.860
!10HG1#

 ASSI {   88}
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   B" and resid 13   and name  HB2 ))
      4.334     0.867     0.867 peak    88 weight  1.00000E+00 volume  6.57100E+05 ppm1      3.422 ppm2      2.122

 ASSI {   88}
   (( segid "   B" and resid 10   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB2 ))
      4.334     0.867     0.867 peak    88 weight  1.00000E+00 volume  6.57100E+05 ppm1      3.422 ppm2      2.122
!11HB2, switch

 ASSI {   89}
   (  segid "   B" and resid 6    and name  HD11)
   (( segid "   B" and resid 6    and name  HB1 ))
      3.777     0.755     0.755 peak    89 weight  1.00000E+00 volume  1.50047E+06 ppm1      1.459 ppm2      0.866

ASSI {   89}
   (  segid "   A" and resid 6    and name  HD11)
   (( segid "   A" and resid 6    and name  HB1 ))
      3.777     0.755     0.755 peak    89 weight  1.00000E+00 volume  1.50047E+06 ppm1      1.459 ppm2      0.866
!10HG1#

 ASSI {   92}
   (( segid "   B" and resid 14   and name  HB2 ))
   (  segid "   A" and resid 13   and name  HD1#)
      4.079     0.816     0.816 peak    92 weight  1.00000E+00 volume  -9.45876E+05 ppm1      0.911 ppm2      1.452

 ASSI {   92}
   (( segid "   A" and resid 14   and name  HB2 ))
   (  segid "   B" and resid 13   and name  HD1#)
      4.079     0.816     0.816 peak    92 weight  1.00000E+00 volume  -9.45876E+05 ppm1      0.911 ppm2      1.452
!27HD1#

! ASSI {   93}
!   (( segid "   B" and resid 6    and name  HA  ))
!   (  segid "   A" and resid 10   and name  HG21)
!      3.464     0.693     0.693 peak    93 weight  1.00000E+00 volume  2.51932E+06 ppm1      0.906 ppm2      4.183
!11HA

 ASSI {   94}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 6    and name  HD21)
      3.864     0.973     0.973 peak    94 weight  1.00000E+00 volume  1.30848E+06 ppm1      0.925 ppm2      4.191

ASSI {   94}
   (( segid "   B" and resid 6    and name  HA  ))
   (  segid "   B" and resid 6    and name  HD21)
      3.864     0.973     0.973 peak    94 weight  1.00000E+00 volume  1.30848E+06 ppm1      0.925 ppm2      4.191

 ASSI {   95}
   (( segid "   B" and resid 6    and name  HB2 ))
   (  segid "   B" and resid 6    and name  HD2#)
      4.240     0.848     0.848 peak    95 weight  1.00000E+00 volume  -7.49609E+05 ppm1      0.920 ppm2      1.459

ASSI {   95}
   (( segid "   A" and resid 6    and name  HB2 ))
   (  segid "   A" and resid 6    and name  HD2#)
      4.240     0.848     0.848 peak    95 weight  1.00000E+00 volume  -7.49609E+05 ppm1      0.920 ppm2      1.459

 ASSI {   96}
   (( segid "   B" and resid 11   and name  HA  ))
   (  segid "   B" and resid 10   and name  HG1#)
      4.049     0.810     0.810 peak    96 weight  1.00000E+00 volume  9.87323E+05 ppm1      4.227 ppm2      0.918

ASSI {   96}
   (( segid "   A" and resid 11   and name  HA  ))
   (  segid "   A" and resid 10   and name  HG1#)
      4.049     0.810     0.810 peak    96 weight  1.00000E+00 volume  9.87323E+05 ppm1      4.227 ppm2      0.918
!6HA

 ASSI {   97}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.968     0.794     0.794 peak    97 weight  1.00000E+00 volume  1.11550E+06 ppm1      4.127 ppm2      2.393

ASSI {   97}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.968     0.794     0.794 peak    97 weight  1.00000E+00 volume  1.11550E+06 ppm1      4.127 ppm2      2.393
!12HA

! ASSI {   99}
!   (( segid "   A" and resid 30   and name  HA  ))
!   (( segid "   A" and resid 28   and name  HG1 ))
!      4.189     0.838     0.838 peak    99 weight  1.00000E+00 volume  8.05874E+05 ppm1      4.160 ppm2      1.393

 ASSI {  103}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 13   and name  HG  ))
      3.288     0.658     0.658 peak   103 weight  1.00000E+00 volume  3.44388E+06 ppm1      4.166 ppm2      1.812

ASSI {  103}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HG  ))
      3.288     0.658     0.658 peak   103 weight  1.00000E+00 volume  3.44388E+06 ppm1      4.166 ppm2      1.812
!9HA

 ASSI {  104}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      4.725     0.945     0.945 peak   104 weight  1.00000E+00 volume  3.91388E+05 ppm1      4.231 ppm2      1.454

 ASSI {  104}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 11   and name  HB1 ))
      4.725     0.945     0.945 peak   104 weight  1.00000E+00 volume  3.91388E+05 ppm1      4.231 ppm2      1.454
!11HA, 14HB2

 ASSI {  105}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 14   and name  HG  ))
      5.265     1.053     1.053 peak   105 weight  1.00000E+00 volume  2.04438E+05 ppm1      4.231 ppm2      1.726

 ASSI {  105}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 14   and name  HG  ))
      5.265     1.053     1.053 peak   105 weight  1.00000E+00 volume  2.04438E+05 ppm1      4.231 ppm2      1.726
!16HA

 ASSI {  106}
   (( segid "   B" and resid 12   and name  HG1 ))
   (( segid "   B" and resid 11   and name  HA  ))
      5.437     1.087     1.087 peak   106 weight  1.00000E+00 volume  1.68551E+05 ppm1      4.157 ppm2      2.457

ASSI {  106}
   (( segid "   A" and resid 12   and name  HG1 ))
   (( segid "   A" and resid 11   and name  HA  ))
      5.437     1.087     1.087 peak   106 weight  1.00000E+00 volume  1.68551E+05 ppm1      4.157 ppm2      2.457
!11HG2

 ASSI {  107}
   (( segid "   A" and resid 11   and name  HG1  ))
   (( segid "   A" and resid 11   and name  HA  ))
      3.590     0.718     0.718 peak   107 weight  1.00000E+00 volume  2.03514E+06 ppm1      4.166 ppm2      2.173

ASSI {  107}
   (( segid "   B" and resid 11   and name  HG1  ))
   (( segid "   B" and resid 11   and name  HA  ))
      3.590     0.718     0.718 peak   107 weight  1.00000E+00 volume  2.03514E+06 ppm1      4.166 ppm2      2.173
!10HB

 ASSI {  108}
   (( segid "   B" and resid 3    and name  HA  ))
   (( segid "   A" and resid 3    and name  HG2 ))
      4.816     0.963     0.963 peak   108 weight  1.00000E+00 volume  3.48922E+05 ppm1      2.562 ppm2      4.187

 ASSI {  108}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   B" and resid 3    and name  HG2 ))
      4.816     0.963     0.963 peak   108 weight  1.00000E+00 volume  3.48922E+05 ppm1      2.562 ppm2      4.187
!switch

 ASSI {  109}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD21)
      3.518     0.704     0.704 peak   109 weight  1.00000E+00 volume  2.29835E+06 ppm1      4.030 ppm2      0.831

ASSI {  109}
   (( segid "   B" and resid 13   and name  HA  ))
   (  segid "   B" and resid 13   and name  HD21)
      3.518     0.704     0.704 peak   109 weight  1.00000E+00 volume  2.29835E+06 ppm1      4.030 ppm2      0.831

! ASSI {  110}
!   (( segid "   B" and resid 13   and name  HA  ))
!   (( segid "   A" and resid 13   and name  HB1 ))
!      5.167     1.033     1.033 peak   110 weight  1.00000E+00 volume  2.28662E+05 ppm1      1.282 ppm2      4.010
!20HB1

 ASSI {  112}
   (  segid "   A" and resid 20   and name  HD12)
   (( segid "   B" and resid 20   and name  HB1 ))
      3.797     0.759     0.759 peak   112 weight  1.00000E+00 volume  1.45181E+06 ppm1      1.305 ppm2      0.883

 ASSI {  112}
   (  segid "   B" and resid 20   and name  HD12)
   (( segid "   A" and resid 20   and name  HB1 ))
      3.797     0.759     0.759 peak   112 weight  1.00000E+00 volume  1.45181E+06 ppm1      1.305 ppm2      0.883
!10HG1#

 ASSI {  114}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      5.321     1.064     1.064 peak   114 weight  1.00000E+00 volume  1.91812E+05 ppm1      2.335 ppm2      4.195

ASSI {  114}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 12   and name  HG1 ))
      5.321     1.064     1.064 peak   114 weight  1.00000E+00 volume  1.91812E+05 ppm1      2.335 ppm2      4.195

 ASSI {  115}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.629     0.726     0.726 peak   115 weight  1.00000E+00 volume  1.90700E+06 ppm1      2.335 ppm2      2.111

ASSI {  115}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.629     0.726     0.726 peak   115 weight  1.00000E+00 volume  1.90700E+06 ppm1      2.335 ppm2      2.111

 ASSI {  116}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 29   and name  HG1 ))
      4.667     0.933     0.933 peak   116 weight  1.00000E+00 volume  4.21425E+05 ppm1      1.505 ppm2      4.193

ASSI {  116}
   (( segid "   B" and resid 30   and name  HA  ))
   (( segid "   B" and resid 29   and name  HG1 ))
      4.667     0.933     0.933 peak   116 weight  1.00000E+00 volume  4.21425E+05 ppm1      1.505 ppm2      4.193
!11HA

! ASSI {  118}
!   (( segid "   A" and resid 16   and name  HB1 ))
!   (( segid "   A" and resid 29   and name  HG1 ))
!      3.907     0.781     0.781 peak   118 weight  1.00000E+00 volume  1.22394E+06 ppm1      1.505 ppm2      1.908

 ASSI {  119}
   (( segid "   A" and resid 20   and name  HB2 ))
   (( segid "   B" and resid 20   and name  HB1 ))
      2.923     0.585     0.585 peak   119 weight  1.00000E+00 volume  6.97557E+06 ppm1      1.503 ppm2      1.646

 ASSI {  119}
   (( segid "   B" and resid 20   and name  HB2 ))
   (( segid "   A" and resid 20   and name  HB1 ))
      2.923     0.585     0.585 peak   119 weight  1.00000E+00 volume  6.97557E+06 ppm1      1.503 ppm2      1.646
!made inter

! ASSI {  121}
!   (( segid "   A" and resid 28   and name  HA  ))
!   (( segid "   A" and resid 16   and name  HG1 ))
!      4.484     0.897     0.897 peak   121 weight  1.00000E+00 volume  5.35562E+05 ppm1      3.811 ppm2      1.583

 ASSI {  122}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB1 ))
      4.362     0.872     0.872 peak   122 weight  1.00000E+00 volume  6.32023E+05 ppm1      3.811 ppm2      1.281

ASSI {  122}
   (( segid "   B" and resid 28   and name  HA  ))
   (( segid "   B" and resid 27   and name  HB1 ))
      4.362     0.872     0.872 peak   122 weight  1.00000E+00 volume  6.32023E+05 ppm1      3.811 ppm2      1.281
!13HB1

 ASSI {  128}
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HG2 ))
      3.846     0.969     0.969 peak   128 weight  1.00000E+00 volume  1.34491E+06 ppm1      1.621 ppm2      1.826

ASSI {  128}
   (( segid "   B" and resid 28   and name  HB2 ))
   (( segid "   B" and resid 28   and name  HG2 ))
      3.846     0.969     0.969 peak   128 weight  1.00000E+00 volume  1.34491E+06 ppm1      1.621 ppm2      1.826
!13HG

 ASSI {  132}
   (( segid "   A" and resid 18   and name  HB1 ))
   (  segid "   A" and resid 18   and name  HE1 )
      5.280     1.056     1.056 peak   132 weight  1.00000E+00 volume  -2.00896E+05 ppm1      3.194 ppm2      6.841

ASSI {  132}
   (( segid "   B" and resid 18   and name  HB1 ))
   (  segid "   B" and resid 18   and name  HE1 )
      5.280     1.056     1.056 peak   132 weight  1.00000E+00 volume  -2.00896E+05 ppm1      3.194 ppm2      6.841

! ASSI {  137}
!   (( segid "   B" and resid 11   and name  HG2 ))
!   (( segid "   A" and resid 12   and name  HB1 ))
!      4.168     0.834     0.834 peak   137 weight  1.00000E+00 volume  8.30245E+05 ppm1      2.022 ppm2      2.459

 ASSI {  141}
   (( segid "   B" and resid 10   and name  HA  ))
   (  segid "   A" and resid 10   and name  HG23)
      3.829     0.766     0.766 peak   141 weight  1.00000E+00 volume  1.38225E+06 ppm1      1.054 ppm2      3.415

 ASSI {  141}
   (( segid "   A" and resid 10   and name  HA  ))
   (  segid "   B" and resid 10   and name  HG23)
      3.829     0.766     0.766 peak   141 weight  1.00000E+00 volume  1.38225E+06 ppm1      1.054 ppm2      3.415
!switch

 ASSI {  143}
   (( segid "   A" and resid 12   and name  HB2  ))
   (( segid "   A" and resid 10   and name  HA  ))
      4.997     0.999     0.999 peak   143 weight  1.00000E+00 volume  2.79739E+05 ppm1      2.255 ppm2      3.421

ASSI {  143}
   (( segid "   B" and resid 12   and name  HB2  ))
   (( segid "   B" and resid 10   and name  HA  ))
      4.997     0.999     0.999 peak   143 weight  1.00000E+00 volume  2.79739E+05 ppm1      2.255 ppm2      3.421
!10HB

 ASSI {  144}
   (( segid "   B" and resid 10   and name  HB  ))
   (  segid "   B" and resid 10   and name  HG13)
      3.411     0.982     0.982 peak   144 weight  1.00000E+00 volume  2.76471E+06 ppm1      2.260 ppm2      0.875

ASSI {  144}
   (( segid "   A" and resid 10   and name  HB  ))
   (  segid "   A" and resid 10   and name  HG13)
      3.411     0.982     0.982 peak   144 weight  1.00000E+00 volume  2.76471E+06 ppm1      2.260 ppm2      0.875

! ASSI {  150}
!   (( segid "   A" and resid 9    and name  HB1 ))
!   (( segid "   B" and resid 13   and name  HG  ))
!      4.155     0.931     0.931 peak   150 weight  1.00000E+00 volume  8.45896E+05 ppm1      1.614 ppm2      1.816

 ASSI {  154}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 13   and name  HG  ))
      4.511     0.902     0.902 peak   154 weight  1.00000E+00 volume  5.16604E+05 ppm1      4.204 ppm2      1.818

ASSI {  154}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 13   and name  HG  ))
      4.511     0.902     0.902 peak   154 weight  1.00000E+00 volume  5.16604E+05 ppm1      4.204 ppm2      1.818

 ASSI {  156}
   (( segid "   B" and resid 19   and name  HA ))
   (( segid "   B" and resid 18   and name  HB1 ))
      4.671     0.934     0.934 peak   156 weight  1.00000E+00 volume  4.19419E+05 ppm1      2.658 ppm2      4.383

ASSI {  156}
   (( segid "   A" and resid 19   and name  HA ))
   (( segid "   A" and resid 18   and name  HB1 ))
      4.671     0.934     0.934 peak   156 weight  1.00000E+00 volume  4.19419E+05 ppm1      2.658 ppm2      4.383
!8HA, 8HB2

! ASSI {  158}
!   (( segid "   B" and resid 8    and name  HB2 ))
!   (( segid "   A" and resid 8    and name  HB1 ))
!      3.464     0.693     0.693 peak   158 weight  1.00000E+00 volume  2.51845E+06 ppm1      2.807 ppm2      2.653

 ASSI {  159}
   (( segid "   B" and resid 8    and name  HA ))
   (( segid "   B" and resid 8    and name  HB2 ))
      3.521     0.704     0.704 peak   159 weight  1.00000E+00 volume  2.28640E+06 ppm1      2.666 ppm2      2.797

ASSI {  159}
   (( segid "   A" and resid 8    and name  HA ))
   (( segid "   A" and resid 8    and name  HB2 ))
      3.521     0.704     0.704 peak   159 weight  1.00000E+00 volume  2.28640E+06 ppm1      2.666 ppm2      2.797

 ASSI {  161}
   (( segid "   A" and resid 10   and name  HB ))
   (( segid "   A" and resid 11   and name  HG1 ))
      3.404     0.981     0.981 peak   161 weight  1.00000E+00 volume  2.79845E+06 ppm1      2.276 ppm2      2.098

 ASSI {  161}
   (( segid "   B" and resid 10   and name  HB ))
   (( segid "   B" and resid 11   and name  HG1 ))
      3.404     0.981     0.981 peak   161 weight  1.00000E+00 volume  2.79845E+06 ppm1      2.276 ppm2      2.098
!12HB2, 11HB2

 ASSI {  162}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 11   and name  HB2 ))
      3.698     0.740     0.740 peak   162 weight  1.00000E+00 volume  1.70358E+06 ppm1      4.153 ppm2      2.084

 ASSI {  162}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.698     0.740     0.740 peak   162 weight  1.00000E+00 volume  1.70358E+06 ppm1      4.153 ppm2      2.084

 ASSI {  165}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HB1 ))
      3.265     0.653     0.653 peak   165 weight  1.00000E+00 volume  3.59497E+06 ppm1      4.165 ppm2      1.889

ASSI {  165}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HB1 ))
      3.265     0.653     0.653 peak   165 weight  1.00000E+00 volume  3.59497E+06 ppm1      4.165 ppm2      1.889
!16HB1

 ASSI {  166}
   (( segid "   B" and resid 30   and name  HB2 ))
   (( segid "   B" and resid 29   and name  HG2 ))
      4.418     0.884     0.884 peak   166 weight  1.00000E+00 volume  5.85611E+05 ppm1      1.606 ppm2      1.902

ASSI {  166}
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HG2 ))
      4.418     0.884     0.884 peak   166 weight  1.00000E+00 volume  5.85611E+05 ppm1      1.606 ppm2      1.902
!16HB1

 ASSI {  174}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 18   and name  HN  ))
      5.288     1.058     1.058 peak   174 weight  1.00000E+00 volume  1.99036E+05 ppm1      4.345 ppm2      8.199

ASSI {  174}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 18   and name  HN  ))
      5.288     1.058     1.058 peak   174 weight  1.00000E+00 volume  1.99036E+05 ppm1      4.345 ppm2      8.199
!8HA, 12HN

 ASSI {  179}
   (( segid "   B" and resid 16   and name  HA  ))
   (( segid "   B" and resid 15   and name  HN  ))
      5.044     1.009     1.009 peak   179 weight  1.00000E+00 volume  2.64499E+05 ppm1      4.176 ppm2      7.849

ASSI {  179}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      5.044     1.009     1.009 peak   179 weight  1.00000E+00 volume  2.64499E+05 ppm1      4.176 ppm2      7.849

 ASSI {  182}
   (( segid "   A" and resid 11   and name  HN  ))
   (  segid "   A" and resid 10   and name  HG12)
      3.843     0.769     0.769 peak   182 weight  1.00000E+00 volume  -1.35204E+06 ppm1      0.906 ppm2      7.838

ASSI {  182}
   (( segid "   B" and resid 11   and name  HN  ))
   (  segid "   B" and resid 10   and name  HG12)
      3.843     0.769     0.769 peak   182 weight  1.00000E+00 volume  -1.35204E+06 ppm1      0.906 ppm2      7.838
!15HN

 ASSI {  184}
   (( segid "   B" and resid 33   and name  HA  ))
   (  segid "   B" and resid 31   and name  HG2#)
      3.915     0.783     0.783 peak   184 weight  1.00000E+00 volume  1.20827E+06 ppm1      0.989 ppm2      4.167

 ASSI {  184}
   (( segid "   A" and resid 33   and name  HA  ))
   (  segid "   A" and resid 31   and name  HG2#)
      3.915     0.783     0.783 peak   184 weight  1.00000E+00 volume  1.20827E+06 ppm1      0.989 ppm2      4.167

 ASSI {  192}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 29   and name  HB1 ))
      4.115     0.823     0.823 peak   192 weight  1.00000E+00 volume  8.96298E+05 ppm1      1.920 ppm2      4.192

ASSI {  192}
   (( segid "   B" and resid 30   and name  HA  ))
   (( segid "   B" and resid 29   and name  HB1 ))
      4.115     0.823     0.823 peak   192 weight  1.00000E+00 volume  8.96298E+05 ppm1      1.920 ppm2      4.192

 ASSI {  195}
   (( segid "   B" and resid 11   and name  HG1  ))
   (( segid "   B" and resid 7    and name  HA  ))
      4.150     0.930     0.930 peak   195 weight  1.00000E+00 volume  8.52584E+05 ppm1      3.826 ppm2      2.186

ASSI {  195}
   (( segid "   A" and resid 11   and name  HG1  ))
   (( segid "   A" and resid 7    and name  HA  ))
      4.150     0.930     0.930 peak   195 weight  1.00000E+00 volume  8.52584E+05 ppm1      3.826 ppm2      2.186
!10HB

 ASSI {  197}
   (( segid "   B" and resid 30   and name  HB2 ))
   (( segid "   B" and resid 29   and name  HB1 ))
      4.201     0.840     0.840 peak   197 weight  1.00000E+00 volume  7.92524E+05 ppm1      1.334 ppm2      1.917

ASSI {  197}
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HB1 ))
      4.201     0.840     0.840 peak   197 weight  1.00000E+00 volume  7.92524E+05 ppm1      1.334 ppm2      1.917
!27HB2, 16HB1

 ASSI {  198}
   (( segid "   A" and resid 13   and name  HB1 ))
   (  segid "   B" and resid 13   and name  HD22)
      3.819     0.964     0.964 peak   198 weight  1.00000E+00 volume  1.40297E+06 ppm1      1.330 ppm2      0.831

 ASSI {  198}
   (( segid "   B" and resid 13   and name  HB1 ))
   (  segid "   A" and resid 13   and name  HD22)
      3.819     0.964     0.964 peak   198 weight  1.00000E+00 volume  1.40297E+06 ppm1      1.330 ppm2      0.831

! ASSI {  202}
!   (( segid "   A" and resid 11   and name  HG1 ))
!   (( segid "   B" and resid 13   and name  HA ))
!      3.912     0.782     0.782 peak   202 weight  1.00000E+00 volume  1.21472E+06 ppm1      1.873 ppm2      2.153

 ASSI {  208}
   (( segid "   B" and resid 24   and name  HA  ))
   (  segid "   B" and resid 24   and name  HG1#)
      3.643     0.729     0.729 peak   208 weight  1.00000E+00 volume  1.86157E+06 ppm1      3.389 ppm2      0.986

ASSI {  208}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 24   and name  HG1#)
      3.643     0.729     0.729 peak   208 weight  1.00000E+00 volume  1.86157E+06 ppm1      3.389 ppm2      0.986
!20HD1#

 ASSI {  210}
   (( segid "   B" and resid 10   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB1 ))
      5.079     1.016     1.016 peak   210 weight  1.00000E+00 volume  2.53565E+05 ppm1      3.392 ppm2      1.273

 ASSI {  210}
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   B" and resid 13   and name  HB1 ))
      5.079     1.016     1.016 peak   210 weight  1.00000E+00 volume  2.53565E+05 ppm1      3.392 ppm2      1.273

 ASSI {  211}
   (( segid "   B" and resid 10   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB2 ))
      4.138     0.828     0.828 peak   211 weight  1.00000E+00 volume  8.67367E+05 ppm1      3.392 ppm2      1.947

 ASSI {  211}
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   B" and resid 13   and name  HB2 ))
      4.138     0.828     0.828 peak   211 weight  1.00000E+00 volume  8.67367E+05 ppm1      3.392 ppm2      1.947

 ASSI {  213}
   (( segid "   A" and resid 14   and name  HB2  ))
   (  segid "   A" and resid 10   and name  HG12)
      3.450     0.690     0.690 peak   213 weight  1.00000E+00 volume  2.58088E+06 ppm1      2.108 ppm2      0.868

ASSI {  213}
   (( segid "   B" and resid 14   and name  HB2  ))
   (  segid "   B" and resid 10   and name  HG12)
      3.450     0.690     0.690 peak   213 weight  1.00000E+00 volume  2.58088E+06 ppm1      2.108 ppm2      0.868
!11HB1

 ASSI {  214}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 27   and name  HG ))
      4.187     0.837     0.837 peak   214 weight  1.00000E+00 volume  8.08268E+05 ppm1      4.459 ppm2      1.912

 ASSI {  214}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 27   and name  HG ))
      4.187     0.837     0.837 peak   214 weight  1.00000E+00 volume  8.08268E+05 ppm1      4.459 ppm2      1.912

 ASSI {  223}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HG2 ))
      3.446     0.689     0.689 peak   223 weight  1.00000E+00 volume  2.59815E+06 ppm1      2.164 ppm2      2.472

ASSI {  223}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 11   and name  HG2 ))
      3.446     0.689     0.689 peak   223 weight  1.00000E+00 volume  2.59815E+06 ppm1      2.164 ppm2      2.472

 ASSI {  234}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   B" and resid 20   and name  HB1 ))
      4.702     0.940     0.940 peak   234 weight  1.00000E+00 volume  4.02860E+05 ppm1      4.396 ppm2      1.276

ASSI {  234}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB1 ))
      4.702     0.940     0.940 peak   234 weight  1.00000E+00 volume  4.02860E+05 ppm1      4.396 ppm2      1.276
!13HB1

! ASSI {  236}
!   (( segid "   A" and resid 8    and name  HA  ))
!   (  segid "   A" and resid 10   and name  HG1#)
!      3.959     0.792     0.792 peak   236 weight  1.00000E+00 volume  1.13150E+06 ppm1      4.393 ppm2      0.901

 ASSI {  240}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  HE1 ))
      4.717     0.943     0.943 peak   240 weight  1.00000E+00 volume  3.95109E+05 ppm1      4.219 ppm2      3.296

 ASSI {  240}
   (( segid "   B" and resid 16   and name  HA  ))
   (( segid "   B" and resid 16   and name  HE1 ))
      4.717     0.943     0.943 peak   240 weight  1.00000E+00 volume  3.95109E+05 ppm1      4.219 ppm2      3.296

 ASSI {  243}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      4.555     0.911     0.911 peak   243 weight  1.00000E+00 volume  -4.87273E+05 ppm1      1.859 ppm2      8.207

ASSI {  243}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 16   and name  HB1 ))
      4.555     0.911     0.911 peak   243 weight  1.00000E+00 volume  -4.87273E+05 ppm1      1.859 ppm2      8.207
!12HN

! ASSI {  247}
!   (( segid "   A" and resid 14   and name  HA  ))
!   (( segid "   A" and resid 11   and name  HB1 ))
!      4.199     0.840     0.840 peak   247 weight  1.00000E+00 volume  7.93733E+05 ppm1      4.074 ppm2      1.979

 ASSI {  250}
   (( segid "   B" and resid 15   and name  HA  ))
   (( segid "   B" and resid 17   and name  HB2 ))
      5.212     1.042     1.042 peak   250 weight  1.00000E+00 volume  2.17283E+05 ppm1      4.072 ppm2      2.731

 ASSI {  250}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      5.212     1.042     1.042 peak   250 weight  1.00000E+00 volume  2.17283E+05 ppm1      4.072 ppm2      2.731
!14HA

 ASSI {  253}
   (  segid "   A" and resid 14   and name  HD12)
   (( segid "   A" and resid 17   and name  HB2 ))
      4.338     0.868     0.868 peak   253 weight  1.00000E+00 volume  -6.53638E+05 ppm1      0.919 ppm2      2.734

ASSI {  253}
   (  segid "   B" and resid 14   and name  HD12)
   (( segid "   B" and resid 17   and name  HB2 ))
      4.338     0.868     0.868 peak   253 weight  1.00000E+00 volume  -6.53638E+05 ppm1      0.919 ppm2      2.734

 ASSI {  254}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.683     0.937     0.937 peak   254 weight  1.00000E+00 volume  1.74551E+06 ppm1      4.027 ppm2      1.889

ASSI {  254}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 13   and name  HA  ))
      3.683     0.937     0.937 peak   254 weight  1.00000E+00 volume  1.74551E+06 ppm1      4.027 ppm2      1.889

 ASSI {  255}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 16   and name  HB2  ))
      3.923     0.785     0.785 peak   255 weight  1.00000E+00 volume  1.19352E+06 ppm1      4.027 ppm2      1.692

ASSI {  255}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 16   and name  HB2  ))
      3.923     0.785     0.785 peak   255 weight  1.00000E+00 volume  1.19352E+06 ppm1      4.027 ppm2      1.692
!14HG

 ASSI {  256}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 15   and name  HB1 ))
      3.038     0.608     0.608 peak   256 weight  1.00000E+00 volume  5.53448E+06 ppm1      4.157 ppm2      4.377

ASSI {  256}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB1 ))
      3.038     0.608     0.608 peak   256 weight  1.00000E+00 volume  5.53448E+06 ppm1      4.157 ppm2      4.377
!16HA

 ASSI {  259}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      5.359     1.072     1.072 peak   259 weight  1.00000E+00 volume  1.83837E+05 ppm1      4.153 ppm2      7.846

ASSI {  259}
   (( segid "   B" and resid 16   and name  HA  ))
   (( segid "   B" and resid 15   and name  HN  ))
      5.359     1.072     1.072 peak   259 weight  1.00000E+00 volume  1.83837E+05 ppm1      4.153 ppm2      7.846
!11HA

 ASSI {  261}
   (( segid "   A" and resid 10   and name  HA  ))
   (  segid "   A" and resid 10   and name  HG1#)
      3.314     0.663     0.663 peak   261 weight  1.00000E+00 volume  3.28371E+06 ppm1      3.425 ppm2      0.880

ASSI {  261}
   (( segid "   B" and resid 10   and name  HA  ))
   (  segid "   B" and resid 10   and name  HG1#)
      3.314     0.663     0.663 peak   261 weight  1.00000E+00 volume  3.28371E+06 ppm1      3.425 ppm2      0.880

 ASSI {  265}
   (  segid "   A" and resid 10   and name  HG2#)
   (  segid "   A" and resid 10   and name  HG11)
      2.872     0.574     0.574 peak   265 weight  1.00000E+00 volume  -7.75332E+06 ppm1      0.915 ppm2      1.098

ASSI {  265}
   (  segid "   B" and resid 10   and name  HG22)
   (  segid "   B" and resid 10   and name  HG13)
      2.872     0.574     0.574 peak   265 weight  1.00000E+00 volume  -7.75332E+06 ppm1      0.915 ppm2      1.098

 ASSI {  266}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 11   and name  HB2 ))
      4.044     0.809     0.809 peak   266 weight  1.00000E+00 volume  9.95059E+05 ppm1      4.195 ppm2      2.056

 ASSI {  266}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      4.044     0.809     0.809 peak   266 weight  1.00000E+00 volume  9.95059E+05 ppm1      4.195 ppm2      2.056
!6HA

 ASSI {  269}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 18   and name  HB2 ))
      4.231     0.846     0.846 peak   269 weight  1.00000E+00 volume  7.58373E+05 ppm1      4.397 ppm2      2.799

 ASSI {  269}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 18   and name  HB2 ))
      4.231     0.846     0.846 peak   269 weight  1.00000E+00 volume  7.58373E+05 ppm1      4.397 ppm2      2.799
!17HA

! ASSI {  270}
!   (( segid "   A" and resid 8    and name  HA  ))
!   (( segid "   B" and resid 11   and name  HB2 ))
!      3.799     0.960     0.960 peak   270 weight  1.00000E+00 volume  1.44789E+06 ppm1      4.397 ppm2      2.100

 ASSI {  271}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 8    and name  HA  ))
      4.383     0.877     0.877 peak   271 weight  1.00000E+00 volume  -6.14144E+05 ppm1      4.397 ppm2      8.205

ASSI {  271}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 8    and name  HA  ))
      4.383     0.877     0.877 peak   271 weight  1.00000E+00 volume  -6.14144E+05 ppm1      4.397 ppm2      8.205

 ASSI {  272}
   (( segid "   A" and resid 8    and name  HB2 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      5.430     1.086     1.086 peak   272 weight  1.00000E+00 volume  -1.69915E+05 ppm1      2.663 ppm2      2.368

 ASSI {  272}
   (( segid "   B" and resid 8    and name  HB2 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      5.430     1.086     1.086 peak   272 weight  1.00000E+00 volume  -1.69915E+05 ppm1      2.663 ppm2      2.368

 ASSI {  279}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 11   and name  HN  ))
      5.396     1.079     1.079 peak   279 weight  1.00000E+00 volume  1.76380E+05 ppm1      4.130 ppm2      7.840

ASSI {  279}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      5.396     1.079     1.079 peak   279 weight  1.00000E+00 volume  1.76380E+05 ppm1      4.130 ppm2      7.840
!15HN

 ASSI {  280}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 8    and name  HB2 ))
      4.692     0.938     0.938 peak   280 weight  1.00000E+00 volume  4.07976E+05 ppm1      4.139 ppm2      2.663

ASSI {  280}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 8    and name  HB2 ))
      4.692     0.938     0.938 peak   280 weight  1.00000E+00 volume  4.07976E+05 ppm1      4.139 ppm2      2.663
!11HA

 ASSI {  281}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      5.177     1.035     1.035 peak   281 weight  1.00000E+00 volume  -2.26030E+05 ppm1      2.431 ppm2      7.840

ASSI {  281}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 5    and name  HG2 ))
      5.177     1.035     1.035 peak   281 weight  1.00000E+00 volume  -2.26030E+05 ppm1      2.431 ppm2      7.840

! ASSI {  284}
!   (( segid "   B" and resid 9    and name  HA  ))
!   (  segid "   B" and resid 13   and name  HD2#)
!      4.007     0.801     0.801 peak   284 weight  1.00000E+00 volume  1.05106E+06 ppm1      4.164 ppm2      0.836

 ASSI {   58}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      3.342     0.968     0.968 peak    58 weight  1.00000E+00 volume  2.62404E+06 ppm1      7.447 ppm2      1.623

 ASSI {   58}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB1 ))
      3.342     0.968     0.968 peak    58 weight  1.00000E+00 volume  2.62404E+06 ppm1      7.447 ppm2      1.623

 ASSI {   77}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 25   and name  HB# )
      4.689     0.938     0.938 peak    77 weight  1.00000E+00 volume  3.44339E+05 ppm1      8.721 ppm2      1.447

 ASSI {   77}
   (( segid "   B" and resid 24   and name  HN  ))
   (  segid "   B" and resid 25   and name  HB# )
      4.689     0.938     0.938 peak    77 weight  1.00000E+00 volume  3.44339E+05 ppm1      8.721 ppm2      1.447

 ASSI {  127}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      3.642     0.728     0.728 peak   127 weight  1.00000E+00 volume  1.56626E+06 ppm1      7.837 ppm2      1.456

ASSI {  127}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 6    and name  HB1 ))
      3.642     0.728     0.728 peak   127 weight  1.00000E+00 volume  1.56626E+06 ppm1      7.837 ppm2      1.456

 ASSI {   85}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.612     0.922     0.922 peak    85 weight  1.00000E+00 volume  1.64768E+06 ppm1      8.563 ppm2      8.853

ASSI {   85}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.612     0.922     0.922 peak    85 weight  1.00000E+00 volume  1.64768E+06 ppm1      8.563 ppm2      8.853

 ASSI {   15}
   (( segid "   B" and resid 14   and name  HA  ))
   (( segid "   B" and resid 14   and name  HN  ))
      3.115     0.623     0.623 peak    15 weight  1.00000E+00 volume  4.00364E+06 ppm1      9.069 ppm2      4.092

ASSI {   15}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.115     0.623     0.623 peak    15 weight  1.00000E+00 volume  4.00364E+06 ppm1      9.069 ppm2      4.092

 ASSI {  114}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 12   and name  HN  ))
      4.300     0.860     0.860 peak   114 weight  1.00000E+00 volume  -5.78245E+05 ppm1      8.182 ppm2      9.103

ASSI {  114}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 12   and name  HN  ))
      4.300     0.860     0.860 peak   114 weight  1.00000E+00 volume  -5.78245E+05 ppm1      8.182 ppm2      9.103

 ASSI {  165}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.240     0.648     0.648 peak   165 weight  1.00000E+00 volume  3.16325E+06 ppm1      8.443 ppm2      7.922

ASSI {  165}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.240     0.648     0.648 peak   165 weight  1.00000E+00 volume  3.16325E+06 ppm1      8.443 ppm2      7.922

 ASSI {   71}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.139     0.628     0.628 peak    71 weight  1.00000E+00 volume  3.82261E+06 ppm1      7.953 ppm2      1.885

ASSI {   71}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 26   and name  HB2 ))
      3.139     0.628     0.628 peak    71 weight  1.00000E+00 volume  3.82261E+06 ppm1      7.953 ppm2      1.885

 ASSI {  145}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.537     0.907     0.907 peak   145 weight  1.00000E+00 volume  1.86674E+06 ppm1      9.070 ppm2      1.497

ASSI {  145}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 14   and name  HB2 ))
      3.537     0.907     0.907 peak   145 weight  1.00000E+00 volume  1.86674E+06 ppm1      9.070 ppm2      1.497

 ASSI {   87}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      4.977     0.995     0.995 peak    87 weight  1.00000E+00 volume  2.40648E+05 ppm1      8.566 ppm2      8.144

 ASSI {   87}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      4.977     0.995     0.995 peak    87 weight  1.00000E+00 volume  2.40648E+05 ppm1      8.566 ppm2      8.144

 ASSI {   51}
   (( segid "   B" and resid 8    and name  HN  ))
   (( segid "   B" and resid 7    and name  HB2 ))
      2.852     0.970     0.970 peak    51 weight  1.00000E+00 volume  6.80118E+06 ppm1      8.673 ppm2      2.251

ASSI {   51}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      2.852     0.970     0.970 peak    51 weight  1.00000E+00 volume  6.80118E+06 ppm1      8.673 ppm2      2.251
!7HB1

 ASSI {  128}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.515     0.703     0.703 peak   128 weight  1.00000E+00 volume  1.93775E+06 ppm1      7.837 ppm2      8.653

ASSI {  128}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 6    and name  HN  ))
      3.515     0.703     0.703 peak   128 weight  1.00000E+00 volume  1.93775E+06 ppm1      7.837 ppm2      8.653

! ASSI {  160}
!   (  segid "   A" and resid 1    and name  HT# )
!   (( segid "   B" and resid 1    and name  HA1 ))
!      4.121     0.824     0.824 peak   160 weight  1.00000E+00 volume  7.46620E+05 ppm1      7.695 ppm2      3.826

! ASSI {  116}
!   (( segid "   B" and resid 12   and name  HN  ))
!   (( segid "   B" and resid 11   and name  HN  ))
!      4.096     0.819     0.819 peak   116 weight  1.00000E+00 volume  7.74986E+05 ppm1      7.785 ppm2      8.189

 ASSI {   24}
   (( segid "   B" and resid 4    and name  HA  ))
   (( segid "   B" and resid 4    and name  HN  ))
      3.289     0.658     0.658 peak    24 weight  1.00000E+00 volume  2.89132E+06 ppm1      8.180 ppm2      4.202

ASSI {   24}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.289     0.658     0.658 peak    24 weight  1.00000E+00 volume  2.89132E+06 ppm1      8.180 ppm2      4.202

 ASSI {  141}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HG  ))
      3.385     0.677     0.677 peak   141 weight  1.00000E+00 volume  2.43227E+06 ppm1      7.836 ppm2      1.807

 ASSI {  141}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 6    and name  HG  ))
      3.385     0.677     0.677 peak   141 weight  1.00000E+00 volume  2.43227E+06 ppm1      7.836 ppm2      1.807

 ASSI {   89}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB1 ))
      2.716     0.543     0.543 peak    89 weight  1.00000E+00 volume  9.11608E+06 ppm1      8.200 ppm2      3.232

ASSI {   89}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 18   and name  HB1 ))
      2.716     0.543     0.543 peak    89 weight  1.00000E+00 volume  9.11608E+06 ppm1      8.200 ppm2      3.232

 ASSI {  131}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 5    and name  HN  ))
      4.475     0.895     0.895 peak   131 weight  1.00000E+00 volume  4.55164E+05 ppm1      7.734 ppm2      8.648

ASSI {  131}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 5    and name  HN  ))
      4.475     0.895     0.895 peak   131 weight  1.00000E+00 volume  4.55164E+05 ppm1      7.734 ppm2      8.648

 ASSI {  176}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HN  ))
      3.582     0.716     0.716 peak   176 weight  1.00000E+00 volume  1.73136E+06 ppm1      8.199 ppm2      8.840

 ASSI {  176}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 17   and name  HN  ))
      3.582     0.716     0.716 peak   176 weight  1.00000E+00 volume  1.73136E+06 ppm1      8.199 ppm2      8.840

 ASSI {  177}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.495     0.699     0.699 peak   177 weight  1.00000E+00 volume  2.00846E+06 ppm1      7.827 ppm2      8.197

ASSI {  177}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 18   and name  HN  ))
      3.495     0.699     0.699 peak   177 weight  1.00000E+00 volume  2.00846E+06 ppm1      7.827 ppm2      8.197

 ASSI {  142}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 11   and name  HG2 ))
      3.511     0.702     0.702 peak   142 weight  1.00000E+00 volume  1.95372E+06 ppm1      7.785 ppm2      2.447

ASSI {  142}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG2 ))
      3.511     0.702     0.702 peak   142 weight  1.00000E+00 volume  1.95372E+06 ppm1      7.785 ppm2      2.447

 ASSI {   62}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HB1 ))
      2.730     0.546     0.546 peak    62 weight  1.00000E+00 volume  8.84209E+06 ppm1      7.314 ppm2      1.916

ASSI {   62}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 29   and name  HB1 ))
      2.730     0.546     0.546 peak    62 weight  1.00000E+00 volume  8.84209E+06 ppm1      7.314 ppm2      1.916

 ASSI {  169}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.367     0.673     0.673 peak   169 weight  1.00000E+00 volume  2.50989E+06 ppm1      8.679 ppm2      7.830

ASSI {  169}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 6    and name  HN  ))
      3.367     0.673     0.673 peak   169 weight  1.00000E+00 volume  2.50989E+06 ppm1      8.679 ppm2      7.830

 ASSI {   18}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 11   and name  HN  ))
      3.140     0.628     0.628 peak    18 weight  1.00000E+00 volume  3.81253E+06 ppm1      7.784 ppm2      4.170

 ASSI {   18}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.140     0.628     0.628 peak    18 weight  1.00000E+00 volume  3.81253E+06 ppm1      7.784 ppm2      4.170

 ASSI {  179}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.581     0.716     0.716 peak   179 weight  1.00000E+00 volume  1.73580E+06 ppm1      8.878 ppm2      8.545

ASSI {  179}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.581     0.716     0.716 peak   179 weight  1.00000E+00 volume  1.73580E+06 ppm1      8.878 ppm2      8.545
!17HN

 ASSI {   23}
   (( segid "   B" and resid 5    and name  HA  ))
   (( segid "   B" and resid 5    and name  HN  ))
      3.299     0.660     0.660 peak    23 weight  1.00000E+00 volume  2.83754E+06 ppm1      7.735 ppm2      4.067

 ASSI {   23}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HN  ))
      3.299     0.660     0.660 peak    23 weight  1.00000E+00 volume  2.83754E+06 ppm1      7.735 ppm2      4.067

 ASSI {  168}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 11   and name  HN  ))
      3.419     0.684     0.684 peak   168 weight  1.00000E+00 volume  2.29103E+06 ppm1      7.734 ppm2      8.457
!5HN

ASSI {  168}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.419     0.684     0.684 peak   168 weight  1.00000E+00 volume  2.29103E+06 ppm1      7.734 ppm2      8.457
!5HN

 ASSI {  107}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      2.942     0.588     0.588 peak   107 weight  1.00000E+00 volume  5.63770E+06 ppm1      9.070 ppm2      1.986

ASSI {  107}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 14   and name  HB1 ))
      2.942     0.588     0.588 peak   107 weight  1.00000E+00 volume  5.63770E+06 ppm1      9.070 ppm2      1.986

! ASSI {   69}
!   (( segid "   A" and resid 10   and name  HN  ))
!   (( segid "   A" and resid 14   and name  HN  ))
!      3.895     0.779     0.779 peak    69 weight  1.00000E+00 volume  1.04766E+06 ppm1      8.455 ppm2      9.017

 ASSI {  154}
   (( segid "   A" and resid 21   and name  HB1 ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.143     0.629     0.629 peak   154 weight  1.00000E+00 volume  3.79116E+06 ppm1      8.877 ppm2      2.020

ASSI {  154}
   (( segid "   B" and resid 21   and name  HB1 ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.143     0.629     0.629 peak   154 weight  1.00000E+00 volume  3.79116E+06 ppm1      8.877 ppm2      2.020
!17HN

 ASSI {    9}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   B" and resid 20   and name  HN  ))
      3.645     0.729     0.729 peak     9 weight  1.00000E+00 volume  1.56055E+06 ppm1      8.563 ppm2      3.981

ASSI {    9}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.645     0.729     0.729 peak     9 weight  1.00000E+00 volume  1.56055E+06 ppm1      8.563 ppm2      3.981

 ASSI {   75}
   (( segid "   B" and resid 24   and name  HN  ))
   (  segid "   B" and resid 24   and name  HG23)
      2.888     0.578     0.578 peak    75 weight  1.00000E+00 volume  6.30437E+06 ppm1      8.723 ppm2      1.016

 ASSI {   75}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 24   and name  HG23)
      2.888     0.578     0.578 peak    75 weight  1.00000E+00 volume  6.30437E+06 ppm1      8.723 ppm2      1.016

 ASSI {   98}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HB1 ))
      2.921     0.584     0.584 peak    98 weight  1.00000E+00 volume  5.88916E+06 ppm1      8.280 ppm2      1.896

ASSI {   98}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      2.921     0.584     0.584 peak    98 weight  1.00000E+00 volume  5.88916E+06 ppm1      8.280 ppm2      1.896

 ASSI {  108}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.443     0.689     0.689 peak   108 weight  1.00000E+00 volume  2.19513E+06 ppm1      9.070 ppm2      7.837

 ASSI {  108}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 15   and name  HN  ))
      3.443     0.689     0.689 peak   108 weight  1.00000E+00 volume  2.19513E+06 ppm1      9.070 ppm2      7.837

 ASSI {   73}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 26   and name  HN  ))
      3.456     0.691     0.691 peak    73 weight  1.00000E+00 volume  2.14662E+06 ppm1      7.953 ppm2      8.460

 ASSI {   73}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.456     0.691     0.691 peak    73 weight  1.00000E+00 volume  2.14662E+06 ppm1      7.953 ppm2      8.460

 ASSI {  157}
   (( segid "   A" and resid 33   and name  HB2 ))
   (( segid "   A" and resid 33   and name  HN  ))
      3.165     0.633     0.633 peak   157 weight  1.00000E+00 volume  3.63566E+06 ppm1      7.809 ppm2      2.170

 ASSI {  157}
   (( segid "   B" and resid 33   and name  HB2 ))
   (( segid "   B" and resid 33   and name  HN  ))
      3.165     0.633     0.633 peak   157 weight  1.00000E+00 volume  3.63566E+06 ppm1      7.809 ppm2      2.170

 ASSI {   79}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.553     0.711     0.711 peak    79 weight  1.00000E+00 volume  1.81782E+06 ppm1      8.137 ppm2      8.737

ASSI {   79}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.553     0.711     0.711 peak    79 weight  1.00000E+00 volume  1.81782E+06 ppm1      8.137 ppm2      8.737

 ASSI {   21}
   (( segid "   B" and resid 7    and name  HA  ))
   (( segid "   B" and resid 8    and name  HN  ))
      3.995     0.799     0.799 peak    21 weight  1.00000E+00 volume  8.99246E+05 ppm1      8.690 ppm2      3.840

ASSI {   21}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.995     0.799     0.799 peak    21 weight  1.00000E+00 volume  8.99246E+05 ppm1      8.690 ppm2      3.840
!13HN

! ASSI {  110}
!   (( segid "   A" and resid 14   and name  HN  ))
!   (( segid "   A" and resid 13   and name  HN  ))
!      4.091     0.818     0.818 peak   110 weight  1.00000E+00 volume  7.80765E+05 ppm1      8.663 ppm2      9.100

 ASSI {  122}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 8    and name  HB1 ))
      3.041     0.608     0.608 peak   122 weight  1.00000E+00 volume  4.62806E+06 ppm1      8.645 ppm2      2.796

ASSI {  122}
   (( segid "   B" and resid 8    and name  HN  ))
   (( segid "   B" and resid 8    and name  HB1 ))
      3.041     0.608     0.608 peak   122 weight  1.00000E+00 volume  4.62806E+06 ppm1      8.645 ppm2      2.796

 ASSI {  170}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.319     0.664     0.664 peak   170 weight  1.00000E+00 volume  2.73596E+06 ppm1      7.914 ppm2      8.645

 ASSI {  170}
   (( segid "   B" and resid 8    and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.319     0.664     0.664 peak   170 weight  1.00000E+00 volume  2.73596E+06 ppm1      7.914 ppm2      8.645

 ASSI {   31}
   (( segid "   B" and resid 25   and name  HN  ))
   (  segid "   B" and resid 25   and name  HB# )
      2.809     0.562     0.562 peak    31 weight  1.00000E+00 volume  7.44698E+06 ppm1      7.759 ppm2      1.495

ASSI {   31}
   (( segid "   A" and resid 25   and name  HN  ))
   (  segid "   A" and resid 25   and name  HB# )
      2.809     0.562     0.562 peak    31 weight  1.00000E+00 volume  7.44698E+06 ppm1      7.759 ppm2      1.495

 ASSI {  102}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HB1 ))
      3.270     0.654     0.654 peak   102 weight  1.00000E+00 volume  2.98984E+06 ppm1      7.842 ppm2      4.363

ASSI {  102}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 15   and name  HB1 ))
      3.270     0.654     0.654 peak   102 weight  1.00000E+00 volume  2.98984E+06 ppm1      7.842 ppm2      4.363

 ASSI {    7}
   (( segid "   B" and resid 24   and name  HA  ))
   (( segid "   B" and resid 24   and name  HN  ))
      3.675     0.735     0.735 peak     7 weight  1.00000E+00 volume  1.48566E+06 ppm1      8.722 ppm2      3.403

ASSI {    7}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.675     0.735     0.735 peak     7 weight  1.00000E+00 volume  1.48566E+06 ppm1      8.722 ppm2      3.403

 ASSI {   93}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 17   and name  HB1 ))
      3.451     0.690     0.690 peak    93 weight  1.00000E+00 volume  2.16374E+06 ppm1      8.833 ppm2      3.266

 ASSI {   93}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      3.451     0.690     0.690 peak    93 weight  1.00000E+00 volume  2.16374E+06 ppm1      8.833 ppm2      3.266

 ASSI {   81}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.388     0.678     0.678 peak    81 weight  1.00000E+00 volume  2.41795E+06 ppm1      7.757 ppm2      8.129

ASSI {   81}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.388     0.678     0.678 peak    81 weight  1.00000E+00 volume  2.41795E+06 ppm1      7.757 ppm2      8.129

 ASSI {   95}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 17   and name  HN  ))
      3.589     0.718     0.718 peak    95 weight  1.00000E+00 volume  1.71023E+06 ppm1      8.833 ppm2      8.211

ASSI {   95}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HN  ))
      3.589     0.718     0.718 peak    95 weight  1.00000E+00 volume  1.71023E+06 ppm1      8.833 ppm2      8.211

 ASSI {    1}
   (( segid "   A" and resid 32   and name  HA1 ))
   (( segid "   A" and resid 32   and name  HN  ))
      2.875     0.575     0.575 peak     1 weight  1.00000E+00 volume  6.48350E+06 ppm1      7.882 ppm2      4.167

ASSI {    1}
   (( segid "   B" and resid 32   and name  HA1 ))
   (( segid "   B" and resid 32   and name  HN  ))
      2.875     0.575     0.575 peak     1 weight  1.00000E+00 volume  6.48350E+06 ppm1      7.882 ppm2      4.167

 ASSI {   11}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.063     0.613     0.613 peak    11 weight  1.00000E+00 volume  4.42973E+06 ppm1      8.200 ppm2      4.399

ASSI {   11}
   (( segid "   B" and resid 18   and name  HA  ))
   (( segid "   B" and resid 18   and name  HN  ))
      3.063     0.613     0.613 peak    11 weight  1.00000E+00 volume  4.42973E+06 ppm1      8.200 ppm2      4.399

 ASSI {  123}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.384     0.677     0.677 peak   123 weight  1.00000E+00 volume  2.43553E+06 ppm1      8.645 ppm2      7.914

ASSI {  123}
   (( segid "   B" and resid 8    and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.384     0.677     0.677 peak   123 weight  1.00000E+00 volume  2.43553E+06 ppm1      8.645 ppm2      7.914

 ASSI {   88}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.586     0.717     0.717 peak    88 weight  1.00000E+00 volume  1.72029E+06 ppm1      7.825 ppm2      8.556

ASSI {   88}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 19   and name  HN  ))
      3.586     0.717     0.717 peak    88 weight  1.00000E+00 volume  1.72029E+06 ppm1      7.825 ppm2      8.556

 ASSI {  187}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      5.541     1.108     1.108 peak   187 weight  1.00000E+00 volume  -1.26331E+05 ppm1      7.316 ppm2      7.743

ASSI {  187}
   (( segid "   B" and resid 25   and name  HN  ))
   (( segid "   B" and resid 29   and name  HN  ))
      5.541     1.108     1.108 peak   187 weight  1.00000E+00 volume  -1.26331E+05 ppm1      7.316 ppm2      7.743

 ASSI {  103}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 15   and name  HN  ))
      3.378     0.676     0.676 peak   103 weight  1.00000E+00 volume  2.46061E+06 ppm1      7.842 ppm2      8.281

ASSI {  103}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.378     0.676     0.676 peak   103 weight  1.00000E+00 volume  2.46061E+06 ppm1      7.842 ppm2      8.281

 ASSI {   74}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.167     0.633     0.633 peak    74 weight  1.00000E+00 volume  3.62829E+06 ppm1      7.762 ppm2      7.966

ASSI {   74}
   (( segid "   B" and resid 25   and name  HN  ))
   (( segid "   B" and resid 26   and name  HN  ))
      3.167     0.633     0.633 peak    74 weight  1.00000E+00 volume  3.62829E+06 ppm1      7.762 ppm2      7.966

 ASSI {   68}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      3.354     0.671     0.671 peak    68 weight  1.00000E+00 volume  2.56814E+06 ppm1      8.461 ppm2      1.348

ASSI {   68}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB2 ))
      3.354     0.671     0.671 peak    68 weight  1.00000E+00 volume  2.56814E+06 ppm1      8.461 ppm2      1.348
!10HN

 ASSI {   65}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB2 ))
      2.775     0.555     0.555 peak    65 weight  1.00000E+00 volume  8.01171E+06 ppm1      9.027 ppm2      1.823

ASSI {   65}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      2.775     0.555     0.555 peak    65 weight  1.00000E+00 volume  8.01171E+06 ppm1      9.027 ppm2      1.823
!28HB1

 ASSI {  148}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 33   and name  HN  ))
      3.048     0.610     0.610 peak   148 weight  1.00000E+00 volume  4.55774E+06 ppm1      7.810 ppm2      4.184

ASSI {  148}
   (( segid "   B" and resid 33   and name  HA  ))
   (( segid "   B" and resid 33   and name  HN  ))
      3.048     0.610     0.610 peak   148 weight  1.00000E+00 volume  4.55774E+06 ppm1      7.810 ppm2      4.184

 ASSI {  133}
   (( segid "   B" and resid 4    and name  HN  ))
   (( segid "   B" and resid 4    and name  HB2 ))
      2.937     0.587     0.587 peak   133 weight  1.00000E+00 volume  5.69412E+06 ppm1      8.186 ppm2      1.799

ASSI {  133}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB2 ))
      2.937     0.587     0.587 peak   133 weight  1.00000E+00 volume  5.69412E+06 ppm1      8.186 ppm2      1.799

 ASSI {   13}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  HN  ))
      2.941     0.588     0.588 peak    13 weight  1.00000E+00 volume  5.65785E+06 ppm1      8.282 ppm2      4.184

ASSI {   13}
   (( segid "   B" and resid 16   and name  HA  ))
   (( segid "   B" and resid 16   and name  HN  ))
      2.941     0.588     0.588 peak    13 weight  1.00000E+00 volume  5.65785E+06 ppm1      8.282 ppm2      4.184

 ASSI {   49}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA  ))
      3.565     0.713     0.713 peak    49 weight  1.00000E+00 volume  1.78101E+06 ppm1      8.445 ppm2      3.445

ASSI {   49}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 10   and name  HA  ))
      3.565     0.713     0.713 peak    49 weight  1.00000E+00 volume  1.78101E+06 ppm1      8.445 ppm2      3.445

! ASSI {  125}
!   (( segid "   A" and resid 12   and name  HN  ))
!   (( segid "   A" and resid 8    and name  HN  ))
!      4.338     0.868     0.868 peak   125 weight  1.00000E+00 volume  -5.48899E+05 ppm1      8.643 ppm2      8.191

 ASSI {  190}
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.917     0.783     0.783 peak   190 weight  1.00000E+00 volume  -1.01256E+06 ppm1      7.883 ppm2      7.458

ASSI {  190}
   (( segid "   B" and resid 32   and name  HN  ))
   (( segid "   B" and resid 30   and name  HN  ))
      3.917     0.783     0.783 peak   190 weight  1.00000E+00 volume  -1.01256E+06 ppm1      7.883 ppm2      7.458

 ASSI {  164}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HA  ))
      4.059     0.812     0.812 peak   164 weight  1.00000E+00 volume  8.18319E+05 ppm1      8.439 ppm2      4.193

 ASSI {  164}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HA  ))
      4.059     0.812     0.812 peak   164 weight  1.00000E+00 volume  8.18319E+05 ppm1      8.439 ppm2      4.193
!11HA

 ASSI {  172}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 13   and name  HN  ))
      3.503     0.701     0.701 peak   172 weight  1.00000E+00 volume  1.97849E+06 ppm1      8.662 ppm2      8.199

ASSI {  172}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.503     0.701     0.701 peak   172 weight  1.00000E+00 volume  1.97849E+06 ppm1      8.662 ppm2      8.199

 ASSI {  175}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.471     0.694     0.694 peak   175 weight  1.00000E+00 volume  2.09053E+06 ppm1      8.279 ppm2      7.834

ASSI {  175}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 15   and name  HN  ))
      3.471     0.694     0.694 peak   175 weight  1.00000E+00 volume  2.09053E+06 ppm1      8.279 ppm2      7.834

 ASSI {  113}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.408     0.682     0.682 peak   113 weight  1.00000E+00 volume  2.33381E+06 ppm1      8.182 ppm2      8.658

ASSI {  113}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 13   and name  HN  ))
      3.408     0.682     0.682 peak   113 weight  1.00000E+00 volume  2.33381E+06 ppm1      8.182 ppm2      8.658

 ASSI {    2}
   (( segid "   B" and resid 32   and name  HA2 ))
   (( segid "   B" and resid 32   and name  HN  ))
      3.010     0.602     0.602 peak     2 weight  1.00000E+00 volume  4.91997E+06 ppm1      7.882 ppm2      3.889

ASSI {    2}
   (( segid "   A" and resid 32   and name  HA2 ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.010     0.602     0.602 peak     2 weight  1.00000E+00 volume  4.91997E+06 ppm1      7.882 ppm2      3.889

 ASSI {  153}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      3.723     0.745     0.745 peak   153 weight  1.00000E+00 volume  1.37245E+06 ppm1      8.195 ppm2      2.796

ASSI {  153}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 17   and name  HB2 ))
      3.723     0.745     0.745 peak   153 weight  1.00000E+00 volume  1.37245E+06 ppm1      8.195 ppm2      2.796
!18HB2

 ASSI {   83}
   (( segid "   B" and resid 21   and name  HG1 ))
   (( segid "   B" and resid 21   and name  HN  ))
      2.845     0.569     0.569 peak    83 weight  1.00000E+00 volume  6.90044E+06 ppm1      8.878 ppm2      2.182

ASSI {   83}
   (( segid "   A" and resid 21   and name  HG1 ))
   (( segid "   A" and resid 21   and name  HN  ))
      2.845     0.569     0.569 peak    83 weight  1.00000E+00 volume  6.90044E+06 ppm1      8.878 ppm2      2.182
!17HN

 ASSI {   50}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HB  ))
      2.851     0.570     0.570 peak    50 weight  1.00000E+00 volume  6.80928E+06 ppm1      8.445 ppm2      2.265

ASSI {   50}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 10   and name  HB  ))
      2.851     0.570     0.570 peak    50 weight  1.00000E+00 volume  6.80928E+06 ppm1      8.445 ppm2      2.265

! ASSI {   78}
!   (( segid "   B" and resid 27   and name  HN  ))
!   (( segid "   B" and resid 24   and name  HN  ))
!      3.382     0.676     0.676 peak    78 weight  1.00000E+00 volume  -2.44634E+06 ppm1      8.723 ppm2      8.465

 ASSI {   39}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HG  ))
      3.119     0.624     0.624 peak    39 weight  1.00000E+00 volume  3.97084E+06 ppm1      8.563 ppm2      2.078

ASSI {   39}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 20   and name  HG  ))
      3.119     0.624     0.624 peak    39 weight  1.00000E+00 volume  3.97084E+06 ppm1      8.563 ppm2      2.078

 ASSI {  115}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG1 ))
      2.992     0.598     0.598 peak   115 weight  1.00000E+00 volume  5.09373E+06 ppm1      7.783 ppm2      2.182

ASSI {  115}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 11   and name  HG1 ))
      2.992     0.598     0.598 peak   115 weight  1.00000E+00 volume  5.09373E+06 ppm1      7.783 ppm2      2.182

 ASSI {   35}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB1 ))
      3.007     0.601     0.601 peak    35 weight  1.00000E+00 volume  4.94541E+06 ppm1      7.759 ppm2      2.848

ASSI {   35}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 22   and name  HB1 ))
      3.007     0.601     0.601 peak    35 weight  1.00000E+00 volume  4.94541E+06 ppm1      7.759 ppm2      2.848

 ASSI {  146}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HG  ))
      3.065     0.613     0.613 peak   146 weight  1.00000E+00 volume  4.41208E+06 ppm1      8.457 ppm2      1.677

ASSI {  146}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HG  ))
      3.065     0.613     0.613 peak   146 weight  1.00000E+00 volume  4.41208E+06 ppm1      8.457 ppm2      1.677
!10HN

 ASSI {  167}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 4    and name  HN  ))
      3.424     0.685     0.685 peak   167 weight  1.00000E+00 volume  2.27133E+06 ppm1      7.737 ppm2      8.195

ASSI {  167}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.424     0.685     0.685 peak   167 weight  1.00000E+00 volume  2.27133E+06 ppm1      7.737 ppm2      8.195

 ASSI {  130}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 5    and name  HN  ))
      2.411     0.482     0.482 peak   130 weight  1.00000E+00 volume  1.86387E+07 ppm1      7.734 ppm2      7.813

ASSI {  130}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HN  ))
      2.411     0.482     0.482 peak   130 weight  1.00000E+00 volume  1.86387E+07 ppm1      7.734 ppm2      7.813

 ASSI {   40}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      2.715     0.543     0.543 peak    40 weight  1.00000E+00 volume  9.12988E+06 ppm1      7.829 ppm2      3.325

ASSI {   40}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      2.715     0.543     0.543 peak    40 weight  1.00000E+00 volume  9.12988E+06 ppm1      7.829 ppm2      3.325

 ASSI {   52}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HG1 ))
      3.295     0.659     0.659 peak    52 weight  1.00000E+00 volume  2.86019E+06 ppm1      8.678 ppm2      2.524

ASSI {   52}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 7    and name  HG1 ))
      3.295     0.659     0.659 peak    52 weight  1.00000E+00 volume  2.86019E+06 ppm1      8.678 ppm2      2.524

 ASSI {  117}
   (( segid "   A" and resid 10   and name  HN  ))
   (  segid "   A" and resid 10   and name  HG2#)
      2.918     0.584     0.584 peak   117 weight  1.00000E+00 volume  5.93021E+06 ppm1      8.441 ppm2      1.066

ASSI {  117}
   (( segid "   B" and resid 10   and name  HN  ))
   (  segid "   B" and resid 10   and name  HG2#)
      2.918     0.584     0.584 peak   117 weight  1.00000E+00 volume  5.93021E+06 ppm1      8.441 ppm2      1.066

! ASSI {  124}
!   (( segid "   B" and resid 7    and name  HG1  ))
!   (( segid "   B" and resid 11   and name  HB2 ))
!      3.341     0.668     0.668 peak   124 weight  1.00000E+00 volume  2.62839E+06 ppm1      8.645 ppm2      2.102

 ASSI {   17}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 12   and name  HN  ))
      2.978     0.596     0.596 peak    17 weight  1.00000E+00 volume  5.24071E+06 ppm1      8.184 ppm2      4.170

ASSI {   17}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      2.978     0.596     0.596 peak    17 weight  1.00000E+00 volume  5.24071E+06 ppm1      8.184 ppm2      4.170

 ASSI {   36}
   (( segid "   B" and resid 21   and name  HA  ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.376     0.675     0.675 peak    36 weight  1.00000E+00 volume  2.47053E+06 ppm1      8.878 ppm2      3.942

 ASSI {   36}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.376     0.675     0.675 peak    36 weight  1.00000E+00 volume  2.47053E+06 ppm1      8.878 ppm2      3.942
!17HN

 ASSI {   32}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB  ))
      2.809     0.562     0.562 peak    32 weight  1.00000E+00 volume  7.44441E+06 ppm1      8.718 ppm2      2.110

ASSI {   32}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 24   and name  HB  ))
      2.809     0.562     0.562 peak    32 weight  1.00000E+00 volume  7.44441E+06 ppm1      8.718 ppm2      2.110

 ASSI {   61}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 30   and name  HN  ))
      3.070     0.614     0.614 peak    61 weight  1.00000E+00 volume  4.36989E+06 ppm1      7.447 ppm2      7.659

ASSI {   61}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.070     0.614     0.614 peak    61 weight  1.00000E+00 volume  4.36989E+06 ppm1      7.447 ppm2      7.659

 ASSI {  147}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HG1 ))
      3.490     0.698     0.698 peak   147 weight  1.00000E+00 volume  2.02414E+06 ppm1      9.026 ppm2      1.351

ASSI {  147}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 28   and name  HG1 ))
      3.490     0.698     0.698 peak   147 weight  1.00000E+00 volume  2.02414E+06 ppm1      9.026 ppm2      1.351

 ASSI {  132}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB1 ))
      4.266     0.853     0.853 peak   132 weight  1.00000E+00 volume  6.06738E+05 ppm1      8.184 ppm2      1.446

ASSI {  132}
   (( segid "   B" and resid 4    and name  HN  ))
   (( segid "   B" and resid 4    and name  HB1 ))
      4.266     0.853     0.853 peak   132 weight  1.00000E+00 volume  6.06738E+05 ppm1      8.184 ppm2      1.446

 ASSI {   64}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      2.563     0.513     0.513 peak    64 weight  1.00000E+00 volume  1.29066E+07 ppm1      7.314 ppm2      7.424

ASSI {   64}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 29   and name  HN  ))
      2.563     0.513     0.513 peak    64 weight  1.00000E+00 volume  1.29066E+07 ppm1      7.314 ppm2      7.424

 ASSI {   46}
   (( segid "   A" and resid 14   and name  HN  ))
   (  segid "   B" and resid 13   and name  HD1#)
      3.066     0.613     0.613 peak    46 weight  1.00000E+00 volume  4.40416E+06 ppm1      9.073 ppm2      0.937

 ASSI {   46}
   (( segid "   B" and resid 14   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.066     0.613     0.613 peak    46 weight  1.00000E+00 volume  4.40416E+06 ppm1      9.073 ppm2      0.937
!14HD1#

 ASSI {  143}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HB2 ))
      2.628     0.526     0.526 peak   143 weight  1.00000E+00 volume  1.11048E+07 ppm1      8.182 ppm2      2.264

ASSI {  143}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 12   and name  HB2 ))
      2.628     0.526     0.526 peak   143 weight  1.00000E+00 volume  1.11048E+07 ppm1      8.182 ppm2      2.264

 ASSI {   33}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.243     0.649     0.649 peak    33 weight  1.00000E+00 volume  3.14482E+06 ppm1      8.139 ppm2      4.474

ASSI {   33}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.243     0.649     0.649 peak    33 weight  1.00000E+00 volume  3.14482E+06 ppm1      8.139 ppm2      4.474

 ASSI {   54}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HB1 ))
      2.655     0.531     0.531 peak    54 weight  1.00000E+00 volume  1.04333E+07 ppm1      7.731 ppm2      2.265

ASSI {   54}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 5    and name  HB1 ))
      2.655     0.531     0.531 peak    54 weight  1.00000E+00 volume  1.04333E+07 ppm1      7.731 ppm2      2.265

 ASSI {   53}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HG2 ))
      2.779     0.556     0.556 peak    53 weight  1.00000E+00 volume  7.93613E+06 ppm1      8.671 ppm2      2.083

 ASSI {   53}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 7    and name  HG2 ))
      2.779     0.556     0.556 peak    53 weight  1.00000E+00 volume  7.93613E+06 ppm1      8.671 ppm2      2.083
!13HN

 ASSI {  118}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 11   and name  HN  ))
      3.536     0.707     0.707 peak   118 weight  1.00000E+00 volume  1.87097E+06 ppm1      8.439 ppm2      7.776

 ASSI {  118}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.536     0.707     0.707 peak   118 weight  1.00000E+00 volume  1.87097E+06 ppm1      8.439 ppm2      7.776

 ASSI {   91}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 18   and name  HN  ))
      3.375     0.675     0.675 peak    91 weight  1.00000E+00 volume  2.47323E+06 ppm1      8.200 ppm2      7.832

ASSI {   91}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.375     0.675     0.675 peak    91 weight  1.00000E+00 volume  2.47323E+06 ppm1      8.200 ppm2      7.832

 ASSI {   57}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.105     0.621     0.621 peak    57 weight  1.00000E+00 volume  4.08523E+06 ppm1      7.914 ppm2      4.213

ASSI {   57}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.105     0.621     0.621 peak    57 weight  1.00000E+00 volume  4.08523E+06 ppm1      7.914 ppm2      4.213

! ASSI {   84}
!   (( segid "   A" and resid 21   and name  HN  ))
!   (( segid "   A" and resid 17   and name  HN  ))
!      3.561     0.712     0.712 peak    84 weight  1.00000E+00 volume  1.79490E+06 ppm1      8.878 ppm2      7.744
!17HN

 ASSI {   27}
   (  segid "   B" and resid 31   and name  HN )
   (  segid "   B" and resid 31   and name  HG23)
      2.798     0.560     0.560 peak    27 weight  1.00000E+00 volume  7.62548E+06 ppm1      7.698 ppm2      0.986

 ASSI {   27}
   (  segid "   A" and resid 31   and name  HN )
   (  segid "   A" and resid 31   and name  HG23)
      2.798     0.560     0.560 peak    27 weight  1.00000E+00 volume  7.62548E+06 ppm1      7.698 ppm2      0.986

 ASSI {   63}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HB2 ))
      3.208     0.642     0.642 peak    63 weight  1.00000E+00 volume  3.35733E+06 ppm1      7.316 ppm2      1.725

ASSI {   63}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 29   and name  HB2 ))
      3.208     0.642     0.642 peak    63 weight  1.00000E+00 volume  3.35733E+06 ppm1      7.316 ppm2      1.725

 ASSI {  180}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.550     0.710     0.710 peak   180 weight  1.00000E+00 volume  1.82862E+06 ppm1      7.752 ppm2      8.883

ASSI {  180}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.550     0.710     0.710 peak   180 weight  1.00000E+00 volume  1.82862E+06 ppm1      7.752 ppm2      8.883

 ASSI {   99}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      3.365     0.673     0.673 peak    99 weight  1.00000E+00 volume  2.51729E+06 ppm1      8.280 ppm2      1.713

ASSI {   99}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HB2 ))
      3.365     0.673     0.673 peak    99 weight  1.00000E+00 volume  2.51729E+06 ppm1      8.280 ppm2      1.713

 ASSI {   92}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HA  ))
      3.587     0.717     0.717 peak    92 weight  1.00000E+00 volume  1.71763E+06 ppm1      8.833 ppm2      4.387

 ASSI {   92}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 17   and name  HA  ))
      3.587     0.717     0.717 peak    92 weight  1.00000E+00 volume  1.71763E+06 ppm1      8.833 ppm2      4.387

 ASSI {   70}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.183     0.637     0.637 peak    70 weight  1.00000E+00 volume  3.51908E+06 ppm1      7.953 ppm2      3.994

ASSI {   70}
   (( segid "   B" and resid 26   and name  HA  ))
   (( segid "   B" and resid 26   and name  HN  ))
      3.183     0.637     0.637 peak    70 weight  1.00000E+00 volume  3.51908E+06 ppm1      7.953 ppm2      3.994

 ASSI {   34}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 23   and name  HB2 ))
      2.746     0.549     0.549 peak    34 weight  1.00000E+00 volume  8.53102E+06 ppm1      8.139 ppm2      2.110

 ASSI {   34}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB2 ))
      2.746     0.549     0.549 peak    34 weight  1.00000E+00 volume  8.53102E+06 ppm1      8.139 ppm2      2.110

 ASSI {   28}
   (( segid "   B" and resid 30   and name  HA  ))
   (( segid "   B" and resid 30   and name  HN  ))
      3.160     0.632     0.632 peak    28 weight  1.00000E+00 volume  3.67268E+06 ppm1      7.449 ppm2      4.204

 ASSI {   28}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.160     0.632     0.632 peak    28 weight  1.00000E+00 volume  3.67268E+06 ppm1      7.449 ppm2      4.204

 ASSI {  101}
   (( segid "   B" and resid 15   and name  HA  ))
   (( segid "   B" and resid 15   and name  HN  ))
      2.805     0.561     0.561 peak   101 weight  1.00000E+00 volume  7.50959E+06 ppm1      7.844 ppm2      4.092

ASSI {  101}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      2.805     0.561     0.561 peak   101 weight  1.00000E+00 volume  7.50959E+06 ppm1      7.844 ppm2      4.092

 ASSI {    6}
   (( segid "   B" and resid 25   and name  HA  ))
   (( segid "   B" and resid 25   and name  HN  ))
      3.194     0.639     0.639 peak     6 weight  1.00000E+00 volume  3.44271E+06 ppm1      7.763 ppm2      4.032

ASSI {    6}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.194     0.639     0.639 peak     6 weight  1.00000E+00 volume  3.44271E+06 ppm1      7.763 ppm2      4.032

 ASSI {  121}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.412     0.682     0.682 peak   121 weight  1.00000E+00 volume  2.31881E+06 ppm1      7.915 ppm2      8.461

ASSI {  121}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.412     0.682     0.682 peak   121 weight  1.00000E+00 volume  2.31881E+06 ppm1      7.915 ppm2      8.461

 ASSI {  184}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.417     0.683     0.683 peak   184 weight  1.00000E+00 volume  2.29662E+06 ppm1      8.458 ppm2      7.977

 ASSI {  184}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.417     0.683     0.683 peak   184 weight  1.00000E+00 volume  2.29662E+06 ppm1      8.458 ppm2      7.977

 ASSI {   10}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 19   and name  HN  ))
      3.129     0.626     0.626 peak    10 weight  1.00000E+00 volume  3.89906E+06 ppm1      7.833 ppm2      4.366

ASSI {   10}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.129     0.626     0.626 peak    10 weight  1.00000E+00 volume  3.89906E+06 ppm1      7.833 ppm2      4.366

 ASSI {  156}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      2.980     0.596     0.596 peak   156 weight  1.00000E+00 volume  5.21790E+06 ppm1      7.450 ppm2      1.909

ASSI {  156}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB2 ))
      2.980     0.596     0.596 peak   156 weight  1.00000E+00 volume  5.21790E+06 ppm1      7.450 ppm2      1.909

 ASSI {   80}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.454     0.991     0.991 peak    80 weight  1.00000E+00 volume  2.15575E+06 ppm1      8.135 ppm2      7.743

ASSI {   80}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.454     0.991     0.991 peak    80 weight  1.00000E+00 volume  2.15575E+06 ppm1      8.135 ppm2      7.743

 ASSI {   56}
   (( segid "   B" and resid 28   and name  HA  ))
   (( segid "   B" and resid 28   and name  HN  ))
      3.557     0.711     0.711 peak    56 weight  1.00000E+00 volume  1.80524E+06 ppm1      9.027 ppm2      3.818

ASSI {   56}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.557     0.711     0.711 peak    56 weight  1.00000E+00 volume  1.80524E+06 ppm1      9.027 ppm2      3.818

 ASSI {  111}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HA  ))
      3.179     0.636     0.636 peak   111 weight  1.00000E+00 volume  3.54685E+06 ppm1      8.661 ppm2      4.044

ASSI {  111}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.179     0.636     0.636 peak   111 weight  1.00000E+00 volume  3.54685E+06 ppm1      8.661 ppm2      4.044

 ASSI {   67}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB1 ))
      3.043     0.609     0.609 peak    67 weight  1.00000E+00 volume  4.60550E+06 ppm1      8.459 ppm2      1.930

ASSI {   67}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB1 ))
      3.043     0.609     0.609 peak    67 weight  1.00000E+00 volume  4.60550E+06 ppm1      8.459 ppm2      1.930
!10HN

 ASSI {   82}
   (( segid "   B" and resid 21   and name  HB2 ))
   (( segid "   B" and resid 21   and name  HN  ))
      2.845     0.569     0.569 peak    82 weight  1.00000E+00 volume  6.90044E+06 ppm1      8.880 ppm2      2.184

ASSI {   82}
   (( segid "   A" and resid 21   and name  HB2 ))
   (( segid "   A" and resid 21   and name  HN  ))
      2.845     0.569     0.569 peak    82 weight  1.00000E+00 volume  6.90044E+06 ppm1      8.880 ppm2      2.184
!17HN

 ASSI {   20}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 8    and name  HN  ))
      3.387     0.677     0.677 peak    20 weight  1.00000E+00 volume  2.42363E+06 ppm1      8.641 ppm2      4.408

 ASSI {   20}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.387     0.677     0.677 peak    20 weight  1.00000E+00 volume  2.42363E+06 ppm1      8.641 ppm2      4.408

 ASSI {  174}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.454     0.691     0.691 peak   174 weight  1.00000E+00 volume  2.15367E+06 ppm1      7.844 ppm2      9.079

ASSI {  174}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 15   and name  HN  ))
      3.454     0.691     0.691 peak   174 weight  1.00000E+00 volume  2.15367E+06 ppm1      7.844 ppm2      9.079

 ASSI {  161}
   (  segid "   B" and resid 1    and name  HT# )
   (( segid "   B" and resid 1    and name  HA2 ))
      3.162     0.632     0.632 peak   161 weight  1.00000E+00 volume  3.65689E+06 ppm1      7.695 ppm2      4.186

 ASSI {  161}
   (  segid "   A" and resid 1    and name  HT# )
   (( segid "   A" and resid 1    and name  HA2 ))
      3.162     0.632     0.632 peak   161 weight  1.00000E+00 volume  3.65689E+06 ppm1      7.695 ppm2      4.186

 ASSI {  112}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB1 ))
      3.799     0.760     0.760 peak   112 weight  1.00000E+00 volume  1.21591E+06 ppm1      8.659 ppm2      1.284

ASSI {  112}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HB1 ))
      3.799     0.760     0.760 peak   112 weight  1.00000E+00 volume  1.21591E+06 ppm1      8.659 ppm2      1.284

 ASSI {   72}
   (( segid "   A" and resid 26   and name  HG1 ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.101     0.620     0.620 peak    72 weight  1.00000E+00 volume  4.11225E+06 ppm1      7.951 ppm2      2.174

ASSI {   72}
   (( segid "   B" and resid 26   and name  HG1 ))
   (( segid "   B" and resid 26   and name  HN  ))
      3.101     0.620     0.620 peak    72 weight  1.00000E+00 volume  4.11225E+06 ppm1      7.951 ppm2      2.174

 ASSI {    8}
   (( segid "   B" and resid 22   and name  HA  ))
   (( segid "   B" and resid 22   and name  HN  ))
      3.113     0.623     0.623 peak     8 weight  1.00000E+00 volume  4.02226E+06 ppm1      7.755 ppm2      4.446

 ASSI {    8}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.113     0.623     0.623 peak     8 weight  1.00000E+00 volume  4.02226E+06 ppm1      7.755 ppm2      4.446

 ASSI {  104}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 15   and name  HN  ))
      4.799     0.960     0.960 peak   104 weight  1.00000E+00 volume  -2.99487E+05 ppm1      7.844 ppm2      8.831

ASSI {  104}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      4.799     0.960     0.960 peak   104 weight  1.00000E+00 volume  -2.99487E+05 ppm1      7.844 ppm2      8.831

 ASSI {   22}
   (( segid "   B" and resid 6    and name  HA  ))
   (( segid "   B" and resid 6    and name  HN  ))
      3.141     0.628     0.628 peak    22 weight  1.00000E+00 volume  3.80736E+06 ppm1      7.837 ppm2      4.197

ASSI {   22}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.141     0.628     0.628 peak    22 weight  1.00000E+00 volume  3.80736E+06 ppm1      7.837 ppm2      4.197

! ASSI {  189}
!   (( segid "   B" and resid 32   and name  HN  ))
!   (( segid "   B" and resid 31   and name  HN  ))
!      4.003     0.801     0.801 peak   189 weight  1.00000E+00 volume  8.88925E+05 ppm1      7.888 ppm2      7.651

 ASSI {  171}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.410     0.682     0.682 peak   171 weight  1.00000E+00 volume  2.32812E+06 ppm1      8.182 ppm2      7.744

ASSI {  171}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 11   and name  HN  ))
      3.410     0.682     0.682 peak   171 weight  1.00000E+00 volume  2.32812E+06 ppm1      8.182 ppm2      7.744

 ASSI {  144}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HG  ))
      3.491     0.698     0.698 peak   144 weight  1.00000E+00 volume  2.02044E+06 ppm1      8.664 ppm2      1.783

ASSI {  144}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HG  ))
      3.491     0.698     0.698 peak   144 weight  1.00000E+00 volume  2.02044E+06 ppm1      8.664 ppm2      1.783

 ASSI {  151}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HG1 ))
      4.226     0.845     0.845 peak   151 weight  1.00000E+00 volume  6.42349E+05 ppm1      8.281 ppm2      1.536

ASSI {  151}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HG1 ))
      4.226     0.845     0.845 peak   151 weight  1.00000E+00 volume  6.42349E+05 ppm1      8.281 ppm2      1.536

 ASSI {   55}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HN  ))
      3.260     0.652     0.652 peak    55 weight  1.00000E+00 volume  3.04673E+06 ppm1      7.315 ppm2      4.182

 ASSI {   55}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.260     0.652     0.652 peak    55 weight  1.00000E+00 volume  3.04673E+06 ppm1      7.315 ppm2      4.182

 ASSI {  412}
   (( segid "   B" and resid 13   and name  HB1 ))
   (( segid "   B" and resid 13   and name  HG  ))
      3.888     0.778     0.778 peak   412 weight  1.00000E+00 volume  1.31076E+06 ppm1      1.791 ppm2      1.285

ASSI {  412}
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HG  ))
      3.888     0.778     0.778 peak   412 weight  1.00000E+00 volume  1.31076E+06 ppm1      1.791 ppm2      1.285

 ASSI {   11}
   (( segid "   A" and resid 31   and name  HA  ))
   (  segid "   A" and resid 31   and name  HG11)
      3.941     0.788     0.788 peak    11 weight  1.00000E+00 volume  1.20827E+06 ppm1      0.989 ppm2      4.159

ASSI {   11}
   (( segid "   B" and resid 31   and name  HA  ))
   (  segid "   B" and resid 31   and name  HG11)
      3.941     0.788     0.788 peak    11 weight  1.00000E+00 volume  1.20827E+06 ppm1      0.989 ppm2      4.159

 ASSI {  438}
   (( segid "   A" and resid 4    and name  HD1 ))
   (( segid "   A" and resid 4    and name  HG2 ))
      3.645     0.729     0.729 peak   438 weight  1.00000E+00 volume  1.93308E+06 ppm1      0.919 ppm2      1.637

ASSI {  438}
   (( segid "   B" and resid 4    and name  HD1 ))
   (( segid "   B" and resid 4    and name  HG2 ))
      3.645     0.729     0.729 peak   438 weight  1.00000E+00 volume  1.93308E+06 ppm1      0.919 ppm2      1.637

 ASSI {  388}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   B" and resid 3    and name  HG1 ))
      4.101     0.820     0.820 peak   388 weight  1.00000E+00 volume  9.52111E+05 ppm1      2.097 ppm2      4.192

 ASSI {  388}
   (( segid "   B" and resid 3    and name  HA  ))
   (( segid "   A" and resid 3    and name  HG1 ))
      4.101     0.820     0.820 peak   388 weight  1.00000E+00 volume  9.52111E+05 ppm1      2.097 ppm2      4.192
!switch

! ASSI {  153}
!   (( segid "   A" and resid 30   and name  HA  ))
!   (( segid "   A" and resid 30   and name  HB1 ))
!      4.212     0.842     0.842 peak   153 weight  1.00000E+00 volume  8.11116E+05 ppm1      4.197 ppm2      1.580

 ASSI {   14}
   (( segid "   B" and resid 30   and name  HA  ))
   (  segid "   B" and resid 30   and name  HD1#)
      3.840     0.768     0.768 peak    14 weight  1.00000E+00 volume  1.41323E+06 ppm1      4.201 ppm2      0.860

 ASSI {   14}
   (( segid "   A" and resid 30   and name  HA  ))
   (  segid "   A" and resid 30   and name  HD1#)
      3.840     0.768     0.768 peak    14 weight  1.00000E+00 volume  1.41323E+06 ppm1      4.201 ppm2      0.860

 ASSI {   65}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 20   and name  HD21)
      3.333     0.667     0.667 peak    65 weight  1.00000E+00 volume  3.30132E+06 ppm1      3.949 ppm2      0.882

 ASSI {   65}
   (( segid "   B" and resid 20   and name  HA  ))
   (  segid "   B" and resid 20   and name  HD21)
      3.333     0.667     0.667 peak    65 weight  1.00000E+00 volume  3.30132E+06 ppm1      3.949 ppm2      0.882

! ASSI {   78}
!   (( segid "   A" and resid 17   and name  HB1 ))
!   (( segid "   B" and resid 17   and name  HB2 ))
!      4.006     0.801     0.801 peak    78 weight  1.00000E+00 volume  1.09596E+06 ppm1      2.760 ppm2      3.260
!switch

 ASSI {   94}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 6    and name  HD21)
      3.889     0.778     0.778 peak    94 weight  1.00000E+00 volume  1.30848E+06 ppm1      0.925 ppm2      4.191

ASSI {   94}
   (( segid "   B" and resid 6    and name  HA  ))
   (  segid "   B" and resid 6    and name  HD21)
      3.889     0.778     0.778 peak    94 weight  1.00000E+00 volume  1.30848E+06 ppm1      0.925 ppm2      4.191

 ASSI {  414}
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   B" and resid 13   and name  HG  ))
      5.015     1.003     1.003 peak   414 weight  1.00000E+00 volume  2.84645E+05 ppm1      1.280 ppm2      1.828

 ASSI {  414}
   (( segid "   B" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HG  ))
      5.015     1.003     1.003 peak   414 weight  1.00000E+00 volume  2.84645E+05 ppm1      1.280 ppm2      1.828

 ASSI {   67}
   (  segid "   B" and resid 20   and name  HD21)
   (( segid "   B" and resid 20   and name  HB1 ))
      3.802     0.760     0.760 peak    67 weight  1.00000E+00 volume  1.50058E+06 ppm1      1.316 ppm2      0.883

ASSI {   67}
   (  segid "   A" and resid 20   and name  HD21)
   (( segid "   A" and resid 20   and name  HB1 ))
      3.802     0.760     0.760 peak    67 weight  1.00000E+00 volume  1.50058E+06 ppm1      1.316 ppm2      0.883

 ASSI {  179}
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 31   and name  HA  ))
      5.077     1.015     1.015 peak   179 weight  1.00000E+00 volume  2.64499E+05 ppm1      4.176 ppm2      7.849

 ASSI {  179}
   (( segid "   B" and resid 32   and name  HN  ))
   (( segid "   B" and resid 31   and name  HA  ))
      5.077     1.015     1.015 peak   179 weight  1.00000E+00 volume  2.64499E+05 ppm1      4.176 ppm2      7.849

 ASSI {  413}
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   B" and resid 13   and name  HG  ))
      4.152     0.830     0.830 peak   413 weight  1.00000E+00 volume  8.83829E+05 ppm1      1.791 ppm2      2.019

 ASSI {  413}
   (( segid "   B" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HG  ))
      4.152     0.830     0.830 peak   413 weight  1.00000E+00 volume  8.83829E+05 ppm1      1.791 ppm2      2.019

 ASSI {   96}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HD1 ))
      4.076     0.815     0.815 peak    96 weight  1.00000E+00 volume  9.87323E+05 ppm1      4.227 ppm2      0.918

 ASSI {   96}
   (( segid "   B" and resid 4    and name  HA  ))
   (( segid "   B" and resid 4    and name  HD1 ))
      4.076     0.815     0.815 peak    96 weight  1.00000E+00 volume  9.87323E+05 ppm1      4.227 ppm2      0.918

 ASSI {  201}
   (( segid "   A" and resid 26   and name  HG1 ))
   (( segid "   A" and resid 26   and name  HA  ))
      3.756     0.751     0.751 peak   201 weight  1.00000E+00 volume  1.61398E+06 ppm1      3.996 ppm2      2.197

 ASSI {  201}
   (( segid "   B" and resid 26   and name  HG1 ))
   (( segid "   B" and resid 26   and name  HA  ))
      3.756     0.751     0.751 peak   201 weight  1.00000E+00 volume  1.61398E+06 ppm1      3.996 ppm2      2.197

 ASSI {   52}
   (( segid "   B" and resid 24   and name  HA  ))
   (  segid "   B" and resid 24   and name  HG1#)
      3.698     0.740     0.740 peak    52 weight  1.00000E+00 volume  1.77063E+06 ppm1      0.894 ppm2      3.392

 ASSI {   52}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 24   and name  HG1#)
      3.698     0.740     0.740 peak    52 weight  1.00000E+00 volume  1.77063E+06 ppm1      0.894 ppm2      3.392

 ASSI {   79}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      4.353     0.871     0.871 peak    79 weight  1.00000E+00 volume  6.66243E+05 ppm1      3.265 ppm2      4.380

 ASSI {   79}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   B" and resid 17   and name  HB1 ))
      4.353     0.871     0.871 peak    79 weight  1.00000E+00 volume  6.66243E+05 ppm1      3.265 ppm2      4.380

 ASSI {   95}
   (( segid "   A" and resid 6    and name  HB2 ))
   (  segid "   B" and resid 6    and name  HD22)
      4.268     0.854     0.854 peak    95 weight  1.00000E+00 volume  -7.49609E+05 ppm1      0.920 ppm2      1.459

 ASSI {   95}
   (( segid "   B" and resid 6    and name  HB2 ))
   (  segid "   A" and resid 6    and name  HD22)
      4.268     0.854     0.854 peak    95 weight  1.00000E+00 volume  -7.49609E+05 ppm1      0.920 ppm2      1.459

 ASSI {  208}
   (( segid "   B" and resid 24   and name  HA  ))
   (  segid "   A" and resid 24   and name  HG2#)
      3.667     0.733     0.733 peak   208 weight  1.00000E+00 volume  1.86157E+06 ppm1      3.389 ppm2      0.986

 ASSI {  208}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   B" and resid 24   and name  HG2#)
      3.667     0.733     0.733 peak   208 weight  1.00000E+00 volume  1.86157E+06 ppm1      3.389 ppm2      0.986

! ASSI {  502}
!   (( segid "   A" and resid 2    and name  HB1 ))
!   (( segid "   B" and resid 2    and name  HB2 ))
!      3.346     0.669     0.669 peak   502 weight  1.00000E+00 volume  3.22641E+06 ppm1      3.936 ppm2      4.108

 ASSI {   32}
   (( segid "   A" and resid 27   and name  HB1 ))
   (  segid "   B" and resid 27   and name  HD2#)
      4.211     0.842     0.842 peak    32 weight  1.00000E+00 volume  8.12453E+05 ppm1      0.818 ppm2      1.917

 ASSI {   32}
   (( segid "   B" and resid 27   and name  HB1 ))
   (  segid "   A" and resid 27   and name  HD2#)
      4.211     0.842     0.842 peak    32 weight  1.00000E+00 volume  8.12453E+05 ppm1      0.818 ppm2      1.917

 ASSI {  132}
   (( segid "   A" and resid 18   and name  HB1 ))
   (  segid "   A" and resid 18   and name  HE# )
      5.315     1.063     1.063 peak   132 weight  1.00000E+00 volume  -2.00896E+05 ppm1      3.194 ppm2      6.841

ASSI {  132}
   (( segid "   B" and resid 18   and name  HB1 ))
   (  segid "   B" and resid 18   and name  HE# )
      5.315     1.063     1.063 peak   132 weight  1.00000E+00 volume  -2.00896E+05 ppm1      3.194 ppm2      6.841

 ASSI {  458}
   (( segid "   B" and resid 14   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD2#)
      3.554     0.711     0.711 peak   458 weight  1.00000E+00 volume  2.24886E+06 ppm1      4.065 ppm2      0.823

 ASSI {  458}
   (( segid "   A" and resid 14   and name  HA  ))
   (  segid "   B" and resid 13   and name  HD2#)
      3.554     0.711     0.711 peak   458 weight  1.00000E+00 volume  2.24886E+06 ppm1      4.065 ppm2      0.823

 ASSI {  210}
   (( segid "   B" and resid 24   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      5.113     1.023     1.023 peak   210 weight  1.00000E+00 volume  2.53565E+05 ppm1      3.392 ppm2      1.273

 ASSI {  210}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   B" and resid 27   and name  HB2 ))
      5.113     1.023     1.023 peak   210 weight  1.00000E+00 volume  2.53565E+05 ppm1      3.392 ppm2      1.273

 ASSI {  211}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB1 ))
      4.165     0.833     0.833 peak   211 weight  1.00000E+00 volume  8.67367E+05 ppm1      3.392 ppm2      1.947

ASSI {  211}
   (( segid "   B" and resid 24   and name  HA  ))
   (( segid "   B" and resid 27   and name  HB1 ))
      4.165     0.833     0.833 peak   211 weight  1.00000E+00 volume  8.67367E+05 ppm1      3.392 ppm2      1.947

 ASSI {  255}
   (( segid "   A" and resid 16   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.949     0.790     0.790 peak   255 weight  1.00000E+00 volume  1.19352E+06 ppm1      4.027 ppm2      1.692

ASSI {  255}
   (( segid "   B" and resid 16   and name  HB2 ))
   (( segid "   B" and resid 13   and name  HA  ))
      3.949     0.790     0.790 peak   255 weight  1.00000E+00 volume  1.19352E+06 ppm1      4.027 ppm2      1.692

! ASSI {   73}
!   (( segid "   B" and resid 18   and name  HA  ))
!   (( segid "   A" and resid 18   and name  HB1 ))
!      4.253     0.851     0.851 peak    73 weight  1.00000E+00 volume  7.65805E+05 ppm1      3.183 ppm2      4.378

 ASSI {   46}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 24   and name  HG1#)
      3.304     0.661     0.661 peak    46 weight  1.00000E+00 volume  3.48077E+06 ppm1      3.388 ppm2      0.874

ASSI {   46}
   (( segid "   B" and resid 24   and name  HA  ))
   (  segid "   B" and resid 24   and name  HG1#)
      3.304     0.661     0.661 peak    46 weight  1.00000E+00 volume  3.48077E+06 ppm1      3.388 ppm2      0.874

 ASSI {   34}
   (( segid "   B" and resid 27   and name  HB2 ))
   (  segid "   A" and resid 27   and name  HD2#)
      4.932     0.986     0.986 peak    34 weight  1.00000E+00 volume  3.14670E+05 ppm1      0.813 ppm2      1.329

 ASSI {   34}
   (( segid "   A" and resid 27   and name  HB2 ))
   (  segid "   B" and resid 27   and name  HD2#)
      4.932     0.986     0.986 peak    34 weight  1.00000E+00 volume  3.14670E+05 ppm1      0.813 ppm2      1.329

 ASSI {  425}
   (( segid "   B" and resid 27   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HG  ))
      4.950     0.990     0.990 peak   425 weight  1.00000E+00 volume  3.07866E+05 ppm1      1.957 ppm2      1.642

 ASSI {  425}
   (( segid "   A" and resid 27   and name  HB1 ))
   (( segid "   B" and resid 27   and name  HG  ))
      4.950     0.990     0.990 peak   425 weight  1.00000E+00 volume  3.07866E+05 ppm1      1.957 ppm2      1.642

 ASSI {  213}
   (( segid "   B" and resid 24   and name  HB  ))
   (  segid "   B" and resid 24   and name  HG13)
      3.473     0.695     0.695 peak   213 weight  1.00000E+00 volume  2.58088E+06 ppm1      2.108 ppm2      0.868

ASSI {  213}
   (( segid "   A" and resid 24   and name  HB  ))
   (  segid "   A" and resid 24   and name  HG13)
      3.473     0.695     0.695 peak   213 weight  1.00000E+00 volume  2.58088E+06 ppm1      2.108 ppm2      0.868

 ASSI {  113}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   B" and resid 13   and name  HB1 ))
      4.626     0.925     0.925 peak   113 weight  1.00000E+00 volume  4.61960E+05 ppm1      4.027 ppm2      1.253

 ASSI {  113}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB1 ))
      4.626     0.925     0.925 peak   113 weight  1.00000E+00 volume  4.61960E+05 ppm1      4.027 ppm2      1.253

 ASSI {  436}
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HG2 ))
      3.526     0.705     0.705 peak   436 weight  1.00000E+00 volume  2.35676E+06 ppm1      1.601 ppm2      1.731

ASSI {  436}
   (( segid "   B" and resid 4    and name  HB2 ))
   (( segid "   B" and resid 4    and name  HG2 ))
      3.526     0.705     0.705 peak   436 weight  1.00000E+00 volume  2.35676E+06 ppm1      1.601 ppm2      1.731

 ASSI {  385}
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.544     0.709     0.709 peak   385 weight  1.00000E+00 volume  2.28522E+06 ppm1      2.245 ppm2      2.377

ASSI {  385}
   (( segid "   B" and resid 12   and name  HB2 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.544     0.709     0.709 peak   385 weight  1.00000E+00 volume  2.28522E+06 ppm1      2.245 ppm2      2.377

 ASSI {   28}
   (( segid "   B" and resid 27   and name  HA  ))
   (  segid "   B" and resid 27   and name  HD2#)
      3.230     0.646     0.646 peak    28 weight  1.00000E+00 volume  3.98983E+06 ppm1      3.949 ppm2      0.831

ASSI {   28}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 27   and name  HD2#)
      3.230     0.646     0.646 peak    28 weight  1.00000E+00 volume  3.98983E+06 ppm1      3.949 ppm2      0.831
!20HA

 ASSI {  431}
   (( segid "   B" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 3    and name  HA  ))
      4.541     0.908     0.908 peak   431 weight  1.00000E+00 volume  5.16708E+05 ppm1      2.147 ppm2      4.195

 ASSI {  431}
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   B" and resid 3    and name  HA  ))
      4.541     0.908     0.908 peak   431 weight  1.00000E+00 volume  5.16708E+05 ppm1      2.147 ppm2      4.195

 ASSI {  165}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HB1 ))
      3.286     0.657     0.657 peak   165 weight  1.00000E+00 volume  3.59497E+06 ppm1      4.165 ppm2      1.889

ASSI {  165}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HB1 ))
      3.286     0.657     0.657 peak   165 weight  1.00000E+00 volume  3.59497E+06 ppm1      4.165 ppm2      1.889

 ASSI {  384}
   (( segid "   B" and resid 6    and name  HA  ))
   (( segid "   B" and resid 5    and name  HB1 ))
      4.477     0.895     0.895 peak   384 weight  1.00000E+00 volume  5.62670E+05 ppm1      2.249 ppm2      4.141

 ASSI {  384}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 5    and name  HB1 ))
      4.477     0.895     0.895 peak   384 weight  1.00000E+00 volume  5.62670E+05 ppm1      2.249 ppm2      4.141

 ASSI {   77}
   (( segid "   A" and resid 17   and name  HB1 ))
   (( segid "   B" and resid 17   and name  HB2 ))
      4.453     0.891     0.891 peak    77 weight  1.00000E+00 volume  5.81161E+05 ppm1      3.269 ppm2      2.732

 ASSI {   77}
   (( segid "   B" and resid 17   and name  HB1 ))
   (( segid "   A" and resid 17   and name  HB2 ))
      4.453     0.891     0.891 peak    77 weight  1.00000E+00 volume  5.81161E+05 ppm1      3.269 ppm2      2.732

 ASSI {   51}
   (( segid "   A" and resid 24   and name  HB  ))
   (  segid "   A" and resid 24   and name  HG13)
      3.356     0.671     0.671 peak    51 weight  1.00000E+00 volume  3.17131E+06 ppm1      0.889 ppm2      2.071

ASSI {   51}
   (( segid "   B" and resid 24   and name  HB  ))
   (  segid "   B" and resid 24   and name  HG13)
      3.356     0.671     0.671 peak    51 weight  1.00000E+00 volume  3.17131E+06 ppm1      0.889 ppm2      2.071

! ASSI {   37}
!   (( segid "   A" and resid 4    and name  HD1 ))
!   (( segid "   A" and resid 4    and name  HE1 ))
!      4.169     0.834     0.834 peak    37 weight  1.00000E+00 volume  8.62259E+05 ppm1      0.923 ppm2      3.371

 ASSI {  259}
   (( segid "   B" and resid 16   and name  HA  ))
   (( segid "   B" and resid 15   and name  HN  ))
      5.394     1.079     1.079 peak   259 weight  1.00000E+00 volume  1.83837E+05 ppm1      4.153 ppm2      7.846

 ASSI {  259}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      5.394     1.079     1.079 peak   259 weight  1.00000E+00 volume  1.83837E+05 ppm1      4.153 ppm2      7.846
!11HA

 ASSI {  499}
   (( segid "   A" and resid 33   and name  HB1 ))
   (( segid "   A" and resid 33   and name  HA  ))
      4.365     0.873     0.873 peak   499 weight  1.00000E+00 volume  6.54995E+05 ppm1      2.026 ppm2      4.189

ASSI {  499}
   (( segid "   B" and resid 33   and name  HB1 ))
   (( segid "   B" and resid 33   and name  HA  ))
      4.365     0.873     0.873 peak   499 weight  1.00000E+00 volume  6.54995E+05 ppm1      2.026 ppm2      4.189

 ASSI {  217}
   (( segid "   A" and resid 22   and name  HA  ))
   (  segid "   A" and resid 25   and name  HB# )
      4.000     0.800     0.800 peak   217 weight  1.00000E+00 volume  1.10669E+06 ppm1      4.433 ppm2      1.454

 ASSI {  217}
   (( segid "   B" and resid 22   and name  HA  ))
   (  segid "   B" and resid 25   and name  HB# )
      4.000     0.800     0.800 peak   217 weight  1.00000E+00 volume  1.10669E+06 ppm1      4.433 ppm2      1.454

 ASSI {  141}
   (( segid "   A" and resid 10   and name  HA  ))
   (  segid "   B" and resid 10   and name  HG2#)
      3.854     0.771     0.771 peak   141 weight  1.00000E+00 volume  1.38225E+06 ppm1      1.054 ppm2      3.415

 ASSI {  141}
   (( segid "   B" and resid 10   and name  HA  ))
   (  segid "   A" and resid 10   and name  HG2#)
      3.854     0.771     0.771 peak   141 weight  1.00000E+00 volume  1.38225E+06 ppm1      1.054 ppm2      3.415

 ASSI {  478}
   (( segid "   A" and resid 23   and name  HB1 ))
   (( segid "   A" and resid 23   and name  HG1 ))
      3.854     0.771     0.771 peak   478 weight  1.00000E+00 volume  1.38165E+06 ppm1      2.247 ppm2      1.972

ASSI {  478}
   (( segid "   B" and resid 23   and name  HB1 ))
   (( segid "   B" and resid 23   and name  HG1 ))
      3.854     0.771     0.771 peak   478 weight  1.00000E+00 volume  1.38165E+06 ppm1      2.247 ppm2      1.972

 ASSI {   63}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   B" and resid 20   and name  HB1 ))
      4.150     0.830     0.830 peak    63 weight  1.00000E+00 volume  8.86470E+05 ppm1      3.955 ppm2      1.280

 ASSI {   63}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB1 ))
      4.150     0.830     0.830 peak    63 weight  1.00000E+00 volume  8.86470E+05 ppm1      3.955 ppm2      1.280

! ASSI {  193}
!   (( segid "   B" and resid 4    and name  HB2 ))
!   (( segid "   A" and resid 16   and name  HG1 ))
!      3.695     0.739     0.739 peak   193 weight  1.00000E+00 volume  1.77934E+06 ppm1      1.719 ppm2      1.547

 ASSI {   92}
   (( segid "   B" and resid 14   and name  HB2 ))
   (  segid "   B" and resid 14   and name  HD21)
      4.106     0.821     0.821 peak    92 weight  1.00000E+00 volume  -9.45876E+05 ppm1      0.911 ppm2      1.452

 ASSI {   92}
   (( segid "   A" and resid 14   and name  HB2 ))
   (  segid "   A" and resid 14   and name  HD21)
      4.106     0.821     0.821 peak    92 weight  1.00000E+00 volume  -9.45876E+05 ppm1      0.911 ppm2      1.452

 ASSI {  442}
   (( segid "   B" and resid 5    and name  HA  ))
   (( segid "   B" and resid 5    and name  HB2  ))
      3.673     0.735     0.735 peak   442 weight  1.00000E+00 volume  1.84429E+06 ppm1      4.104 ppm2      2.195

ASSI {  442}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HB2  ))
      3.673     0.735     0.735 peak   442 weight  1.00000E+00 volume  1.84429E+06 ppm1      4.104 ppm2      2.195
!10HB

 ASSI {  395}
   (( segid "   B" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HB1 ))
      3.699     0.740     0.740 peak   395 weight  1.00000E+00 volume  1.76832E+06 ppm1      1.464 ppm2      2.013

 ASSI {  395}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   B" and resid 6    and name  HB1 ))
      3.699     0.740     0.740 peak   395 weight  1.00000E+00 volume  1.76832E+06 ppm1      1.464 ppm2      2.013

! ASSI {  452}
!   (( segid "   A" and resid 4    and name  HA  ))
!   (( segid "   B" and resid 9    and name  HG2 ))
!      3.588     0.718     0.718 peak   452 weight  1.00000E+00 volume  2.12159E+06 ppm1      4.154 ppm2      1.718

 ASSI {  243}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 16   and name  HB1 ))
      4.585     0.917     0.917 peak   243 weight  1.00000E+00 volume  -4.87273E+05 ppm1      1.859 ppm2      8.207

ASSI {  243}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      4.585     0.917     0.917 peak   243 weight  1.00000E+00 volume  -4.87273E+05 ppm1      1.859 ppm2      8.207

 ASSI {   64}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HG  ))
      3.616     0.723     0.723 peak    64 weight  1.00000E+00 volume  2.02774E+06 ppm1      3.947 ppm2      2.096

ASSI {   64}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   B" and resid 20   and name  HG  ))
      3.616     0.723     0.723 peak    64 weight  1.00000E+00 volume  2.02774E+06 ppm1      3.947 ppm2      2.096

 ASSI {  276}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 2    and name  HA  ))
      5.780     1.156     1.156 peak   276 weight  1.00000E+00 volume  1.21477E+05 ppm1      4.149 ppm2      7.863

ASSI {  276}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 2    and name  HA  ))
      5.780     1.156     1.156 peak   276 weight  1.00000E+00 volume  1.21477E+05 ppm1      4.149 ppm2      7.863

 ASSI {  196}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   B" and resid 27   and name  HD22 ))
      3.658     0.732     0.732 peak   196 weight  1.00000E+00 volume  1.89089E+06 ppm1      3.814 ppm2      0.903

 ASSI {  196}
   (( segid "   B" and resid 28   and name  HA  ))
   (( segid "   A" and resid 27   and name  HD22 ))
      3.658     0.732     0.732 peak   196 weight  1.00000E+00 volume  1.89089E+06 ppm1      3.814 ppm2      0.903
!28HD2

 ASSI {  234}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB1 ))
      4.733     0.947     0.947 peak   234 weight  1.00000E+00 volume  4.02860E+05 ppm1      4.396 ppm2      1.276

 ASSI {  234}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   B" and resid 20   and name  HB1 ))
      4.733     0.947     0.947 peak   234 weight  1.00000E+00 volume  4.02860E+05 ppm1      4.396 ppm2      1.276

 ASSI {  184}
   (( segid "   B" and resid 32   and name  HA1 ))
   (  segid "   B" and resid 31   and name  HG2#)
      3.941     0.788     0.788 peak   184 weight  1.00000E+00 volume  1.20827E+06 ppm1      0.989 ppm2      4.167

ASSI {  184}
   (( segid "   A" and resid 32   and name  HA1 ))
   (  segid "   A" and resid 31   and name  HG2#)
      3.941     0.788     0.788 peak   184 weight  1.00000E+00 volume  1.20827E+06 ppm1      0.989 ppm2      4.167

! ASSI {  274}
!   (( segid "   B" and resid 6    and name  HB1 ))
!   (( segid "   B" and resid 2    and name  HA  ))
!      3.994     0.799     0.799 peak   274 weight  1.00000E+00 volume  1.11520E+06 ppm1      4.149 ppm2      1.429

 ASSI {  461}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))
      4.557     0.911     0.911 peak   461 weight  1.00000E+00 volume  5.05731E+05 ppm1      4.344 ppm2      7.846

ASSI {  461}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   B" and resid 19   and name  HN  ))
      4.557     0.911     0.911 peak   461 weight  1.00000E+00 volume  5.05731E+05 ppm1      4.344 ppm2      7.846
!19HA

 ASSI {  278}
   (( segid "   B" and resid 6    and name  HG  ))
   (( segid "   B" and resid 2    and name  HA  ))
      4.588     0.918     0.918 peak   278 weight  1.00000E+00 volume  4.85633E+05 ppm1      4.147 ppm2      1.820

 ASSI {  278}
   (( segid "   A" and resid 6    and name  HG  ))
   (( segid "   A" and resid 2    and name  HA  ))
      4.588     0.918     0.918 peak   278 weight  1.00000E+00 volume  4.85633E+05 ppm1      4.147 ppm2      1.820

 ASSI {   12}
   (( segid "   A" and resid 31   and name  HA  ))
   (  segid "   A" and resid 31   and name  HG1#)
      3.669     0.734     0.734 peak    12 weight  1.00000E+00 volume  1.85561E+06 ppm1      4.181 ppm2      0.912

 ASSI {   12}
   (( segid "   B" and resid 31   and name  HA  ))
   (  segid "   B" and resid 31   and name  HG1#)
      3.669     0.734     0.734 peak    12 weight  1.00000E+00 volume  1.85561E+06 ppm1      4.181 ppm2      0.912

 ASSI {  408}
   (( segid "   A" and resid 13   and name  HB1 ))
   (  segid "   B" and resid 13   and name  HD1#)
      3.952     0.790     0.790 peak   408 weight  1.00000E+00 volume  1.18932E+06 ppm1      1.281 ppm2      0.848

 ASSI {  408}
   (( segid "   B" and resid 13   and name  HB1 ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.952     0.790     0.790 peak   408 weight  1.00000E+00 volume  1.18932E+06 ppm1      1.281 ppm2      0.848

 ASSI {  198}
   (( segid "   B" and resid 27   and name  HB2 ))
   (  segid "   B" and resid 27   and name  HD2#)
      3.844     0.769     0.769 peak   198 weight  1.00000E+00 volume  1.40297E+06 ppm1      1.330 ppm2      0.831

ASSI {  198}
   (( segid "   A" and resid 27   and name  HB2 ))
   (  segid "   A" and resid 27   and name  HD2#)
      3.844     0.769     0.769 peak   198 weight  1.00000E+00 volume  1.40297E+06 ppm1      1.330 ppm2      0.831

! ASSI {  433}
!   (( segid "   B" and resid 3    and name  HG2 ))
!   (( segid "   A" and resid 3    and name  HG1 ))
!      3.728     0.746     0.746 peak   433 weight  1.00000E+00 volume  1.68695E+06 ppm1      2.559 ppm2      2.079

! ASSI {  464}
!   (( segid "   B" and resid 16   and name  HD1 ))
!   (( segid "   A" and resid 16   and name  HG1 ))
!      4.022     0.804     0.804 peak   464 weight  1.00000E+00 volume  1.07004E+06 ppm1      0.948 ppm2      1.553

 ASSI {   66}
   (( segid "   A" and resid 20   and name  HG  ))
   (( segid "   B" and resid 20   and name  HB1 ))
      4.038     0.808     0.808 peak    66 weight  1.00000E+00 volume  1.04563E+06 ppm1      1.316 ppm2      2.095

 ASSI {   66}
   (( segid "   B" and resid 20   and name  HG  ))
   (( segid "   A" and resid 20   and name  HB1 ))
      4.038     0.808     0.808 peak    66 weight  1.00000E+00 volume  1.04563E+06 ppm1      1.316 ppm2      2.095
!switch 

 ASSI {  116}
   (( segid "   B" and resid 30   and name  HA  ))
   (( segid "   B" and resid 29   and name  HG1 ))
      4.698     0.940     0.940 peak   116 weight  1.00000E+00 volume  4.21425E+05 ppm1      1.505 ppm2      4.193

ASSI {  116}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 29   and name  HG1 ))
      4.698     0.940     0.940 peak   116 weight  1.00000E+00 volume  4.21425E+05 ppm1      1.505 ppm2      4.193
!29HA
 ASSI {   15}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      4.249     0.850     0.850 peak    15 weight  1.00000E+00 volume  7.70245E+05 ppm1      4.201 ppm2      1.577

ASSI {   15}
   (( segid "   B" and resid 31   and name  HA  ))
   (( segid "   B" and resid 30   and name  HB1 ))
      4.249     0.850     0.850 peak    15 weight  1.00000E+00 volume  7.70245E+05 ppm1      4.201 ppm2      1.577
!30HA

 ASSI {  456}
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.834     0.767     0.767 peak   456 weight  1.00000E+00 volume  1.42645E+06 ppm1      2.027 ppm2      2.373

ASSI {  456}
   (( segid "   B" and resid 12   and name  HB1 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.834     0.767     0.767 peak   456 weight  1.00000E+00 volume  1.42645E+06 ppm1      2.027 ppm2      2.373

 ASSI {   16}
   (( segid "   A" and resid 30   and name  HB1 ))
   (  segid "   A" and resid 30   and name  HD11)
      4.005     0.801     0.801 peak    16 weight  1.00000E+00 volume  1.09730E+06 ppm1      1.608 ppm2      0.875

ASSI {   16}
   (( segid "   B" and resid 30   and name  HB1 ))
   (  segid "   B" and resid 30   and name  HD11)
      4.005     0.801     0.801 peak    16 weight  1.00000E+00 volume  1.09730E+06 ppm1      1.608 ppm2      0.875

 ASSI {  281}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 5    and name  HG2 ))
      5.212     1.042     1.042 peak   281 weight  1.00000E+00 volume  -2.26030E+05 ppm1      2.431 ppm2      7.840

ASSI {  281}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      5.212     1.042     1.042 peak   281 weight  1.00000E+00 volume  -2.26030E+05 ppm1      2.431 ppm2      7.840

 ASSI {  472}
   (  segid "   A" and resid 20   and name  HD2#)
   (( segid "   A" and resid 20   and name  HB2 ))
      4.236     0.847     0.847 peak   472 weight  1.00000E+00 volume  7.84289E+05 ppm1      0.912 ppm2      1.664

ASSI {  472}
   (  segid "   B" and resid 20   and name  HD2#)
   (( segid "   B" and resid 20   and name  HB2 ))
      4.236     0.847     0.847 peak   472 weight  1.00000E+00 volume  7.84289E+05 ppm1      0.912 ppm2      1.664

 ASSI {   31}
   (( segid "   B" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB1 ))
      4.896     0.979     0.979 peak    31 weight  1.00000E+00 volume  3.29022E+05 ppm1      1.962 ppm2      3.927

 ASSI {   31}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   B" and resid 27   and name  HB1 ))
      4.896     0.979     0.979 peak    31 weight  1.00000E+00 volume  3.29022E+05 ppm1      1.962 ppm2      3.927

 ASSI {  465}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 18   and name  HN  ))
      5.349     1.070     1.070 peak   465 weight  1.00000E+00 volume  -1.93475E+05 ppm1      4.365 ppm2      8.213

 ASSI {  465}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 18   and name  HN  ))
      5.349     1.070     1.070 peak   465 weight  1.00000E+00 volume  -1.93475E+05 ppm1      4.365 ppm2      8.213
!18HA

 ASSI {   80}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   B" and resid 17   and name  HB2 ))
      4.410     0.882     0.882 peak    80 weight  1.00000E+00 volume  6.16229E+05 ppm1      2.750 ppm2      4.375

 ASSI {   80}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      4.410     0.882     0.882 peak    80 weight  1.00000E+00 volume  6.16229E+05 ppm1      2.750 ppm2      4.375

 ASSI {  189}
   (( segid "   A" and resid 29   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HG1 ))
      3.666     0.733     0.733 peak   189 weight  1.00000E+00 volume  1.86484E+06 ppm1      1.909 ppm2      1.546

ASSI {  189}
   (( segid "   B" and resid 29   and name  HB1 ))
   (( segid "   B" and resid 29   and name  HG1 ))
      3.666     0.733     0.733 peak   189 weight  1.00000E+00 volume  1.86484E+06 ppm1      1.909 ppm2      1.546

 ASSI {  223}
   (( segid "   B" and resid 21   and name  HG2 ))
   (( segid "   B" and resid 21   and name  HB2 ))
      3.469     0.694     0.694 peak   223 weight  1.00000E+00 volume  2.59815E+06 ppm1      2.164 ppm2      2.472

 ASSI {  223}
   (( segid "   A" and resid 21   and name  HG2 ))
   (( segid "   A" and resid 21   and name  HB2 ))
      3.469     0.694     0.694 peak   223 weight  1.00000E+00 volume  2.59815E+06 ppm1      2.164 ppm2      2.472

 ASSI {   18}
   (( segid "   B" and resid 31   and name  HA  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      5.014     1.003     1.003 peak    18 weight  1.00000E+00 volume  2.85046E+05 ppm1      1.613 ppm2      4.195

 ASSI {   18}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   B" and resid 30   and name  HB1 ))
      5.014     1.003     1.003 peak    18 weight  1.00000E+00 volume  2.85046E+05 ppm1      1.613 ppm2      4.195
!30HA

 ASSI {  209}
   (( segid "   B" and resid 25   and name  HA  ))
   (( segid "   B" and resid 24   and name  HA  ))
      4.833     0.967     0.967 peak   209 weight  1.00000E+00 volume  3.55519E+05 ppm1      3.392 ppm2      4.009

ASSI {  209}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 24   and name  HA  ))
      4.833     0.967     0.967 peak   209 weight  1.00000E+00 volume  3.55519E+05 ppm1      3.392 ppm2      4.009

 ASSI {  254}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 13   and name  HA  ))
      3.707     0.941     0.941 peak   254 weight  1.00000E+00 volume  1.74551E+06 ppm1      4.027 ppm2      1.889

ASSI {  254}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.707     0.941     0.941 peak   254 weight  1.00000E+00 volume  1.74551E+06 ppm1      4.027 ppm2      1.889

 ASSI {  117}
   (( segid "   A" and resid 29   and name  HG1 ))
   (( segid "   A" and resid 29   and name  HE1 ))
      4.854     0.971     0.971 peak   117 weight  1.00000E+00 volume  3.46234E+05 ppm1      1.505 ppm2      2.921

ASSI {  117}
   (( segid "   B" and resid 29   and name  HG1 ))
   (( segid "   B" and resid 29   and name  HE1 ))
      4.854     0.971     0.971 peak   117 weight  1.00000E+00 volume  3.46234E+05 ppm1      1.505 ppm2      2.921

 ASSI {   33}
   (( segid "   B" and resid 27   and name  HA  ))
   (  segid "   B" and resid 30   and name  HD2#)
      4.002     0.800     0.800 peak    33 weight  1.00000E+00 volume  1.10210E+06 ppm1      0.813 ppm2      3.937

ASSI {   33}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 30   and name  HD2#)
      4.002     0.800     0.800 peak    33 weight  1.00000E+00 volume  1.10210E+06 ppm1      0.813 ppm2      3.937
!27HD2#

 ASSI {  449}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HG1 ))
      3.952     0.790     0.790 peak   449 weight  1.00000E+00 volume  1.18922E+06 ppm1      4.153 ppm2      1.380

ASSI {  449}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 9    and name  HG1 ))
      3.952     0.790     0.790 peak   449 weight  1.00000E+00 volume  1.18922E+06 ppm1      4.153 ppm2      1.380
!4HA

! ASSI {  154}
!   (( segid "   A" and resid 6    and name  HA  ))
!   (( segid "   A" and resid 9    and name  HB2 ))
!      4.541     0.908     0.908 peak   154 weight  1.00000E+00 volume  5.16604E+05 ppm1      4.204 ppm2      1.818

 ASSI {  212}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2  ))
      5.687     1.137     1.137 peak   212 weight  1.00000E+00 volume  1.33969E+05 ppm1      2.108 ppm2      3.375

ASSI {  212}
   (( segid "   B" and resid 24   and name  HA  ))
   (( segid "   B" and resid 26   and name  HB2  ))
      5.687     1.137     1.137 peak   212 weight  1.00000E+00 volume  1.33969E+05 ppm1      2.108 ppm2      3.375
!24HB

 ASSI {  398}
   (  segid "   B" and resid 6    and name  HD13)
   (( segid "   B" and resid 6    and name  HG  ))
      3.475     0.695     0.695 peak   398 weight  1.00000E+00 volume  2.57251E+06 ppm1      1.781 ppm2      0.835

ASSI {  398}
   (  segid "   A" and resid 6    and name  HD13)
   (( segid "   A" and resid 6    and name  HG  ))
      3.475     0.695     0.695 peak   398 weight  1.00000E+00 volume  2.57251E+06 ppm1      1.781 ppm2      0.835

 ASSI {  112}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 13   and name  HB1 ))
      3.823     0.765     0.765 peak   112 weight  1.00000E+00 volume  1.45181E+06 ppm1      1.305 ppm2      0.883

ASSI {  112}
   (  segid "   B" and resid 13   and name  HD1#)
   (( segid "   B" and resid 13   and name  HB1 ))
      3.823     0.765     0.765 peak   112 weight  1.00000E+00 volume  1.45181E+06 ppm1      1.305 ppm2      0.883
!20HB1

 ASSI {  473}
   (  segid "   A" and resid 20   and name  HD2#)
   (( segid "   A" and resid 20   and name  HB1 ))
      3.272     0.654     0.654 peak   473 weight  1.00000E+00 volume  -3.69085E+06 ppm1      0.912 ppm2      1.283

ASSI {  473}
   (  segid "   B" and resid 20   and name  HD2#)
   (( segid "   B" and resid 20   and name  HB1 ))
      3.272     0.654     0.654 peak   473 weight  1.00000E+00 volume  -3.69085E+06 ppm1      0.912 ppm2      1.283

 ASSI {  421}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HD2 ))
      4.086     0.817     0.817 peak   421 weight  1.00000E+00 volume  9.73792E+05 ppm1      1.860 ppm2      0.823

 ASSI {  421}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HD2 ))
      4.086     0.817     0.817 peak   421 weight  1.00000E+00 volume  9.73792E+05 ppm1      1.860 ppm2      0.823

 ASSI {   57}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB2 ))
      4.149     0.830     0.830 peak    57 weight  1.00000E+00 volume  8.88348E+05 ppm1      4.433 ppm2      2.740

ASSI {   57}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 22   and name  HB2 ))
      4.149     0.830     0.830 peak    57 weight  1.00000E+00 volume  8.88348E+05 ppm1      4.433 ppm2      2.740
!22HA

 ASSI {  114}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 12   and name  HG1 ))
      5.356     1.071     1.071 peak   114 weight  1.00000E+00 volume  1.91812E+05 ppm1      2.335 ppm2      4.195

ASSI {  114}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      5.356     1.071     1.071 peak   114 weight  1.00000E+00 volume  1.91812E+05 ppm1      2.335 ppm2      4.195

 ASSI {   93}
   (( segid "   B" and resid 6    and name  HA  ))
   (  segid "   B" and resid 6    and name  HD2#)
      3.487     0.697     0.697 peak    93 weight  1.00000E+00 volume  2.51932E+06 ppm1      0.906 ppm2      4.183

 ASSI {   93}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 6    and name  HD2#)
      3.487     0.697     0.697 peak    93 weight  1.00000E+00 volume  2.51932E+06 ppm1      0.906 ppm2      4.183
!27HD1#

 ASSI {  272}
   (( segid "   B" and resid 8    and name  HB2 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      5.466     1.093     1.093 peak   272 weight  1.00000E+00 volume  -1.69915E+05 ppm1      2.663 ppm2      2.368

ASSI {  272}
   (( segid "   A" and resid 8    and name  HB2 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      5.466     1.093     1.093 peak   272 weight  1.00000E+00 volume  -1.69915E+05 ppm1      2.663 ppm2      2.368

 ASSI {  162}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 11   and name  HB2 ))
      3.722     0.744     0.744 peak   162 weight  1.00000E+00 volume  1.70358E+06 ppm1      4.153 ppm2      2.084

ASSI {  162}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.722     0.744     0.744 peak   162 weight  1.00000E+00 volume  1.70358E+06 ppm1      4.153 ppm2      2.084

 ASSI {  139}
   (( segid "   A" and resid 11   and name  HG1 ))
   (( segid "   A" and resid 11   and name  HB1 ))
      3.348     0.670     0.670 peak   139 weight  1.00000E+00 volume  3.21848E+06 ppm1      2.034 ppm2      2.187

 ASSI {  139}
   (( segid "   B" and resid 11   and name  HG1 ))
   (( segid "   B" and resid 11   and name  HB1 ))
      3.348     0.670     0.670 peak   139 weight  1.00000E+00 volume  3.21848E+06 ppm1      2.034 ppm2      2.187
!12HB1

 ASSI {  192}
   (( segid "   B" and resid 30   and name  HA  ))
   (( segid "   B" and resid 29   and name  HB1 ))
      4.143     0.829     0.829 peak   192 weight  1.00000E+00 volume  8.96298E+05 ppm1      1.920 ppm2      4.192

ASSI {  192}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 29   and name  HB1 ))
      4.143     0.829     0.829 peak   192 weight  1.00000E+00 volume  8.96298E+05 ppm1      1.920 ppm2      4.192

 ASSI {   29}
   (( segid "   B" and resid 27   and name  HB1 ))
   (  segid "   A" and resid 27   and name  HD2#)
      4.223     0.845     0.845 peak    29 weight  1.00000E+00 volume  7.98578E+05 ppm1      1.952 ppm2      0.831

 ASSI {   29}
   (( segid "   A" and resid 27   and name  HB1 ))
   (  segid "   B" and resid 27   and name  HD2#)
      4.223     0.845     0.845 peak    29 weight  1.00000E+00 volume  7.98578E+05 ppm1      1.952 ppm2      0.831
!switch

 ASSI {  396}
   (( segid "   B" and resid 6    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HG  ))
      4.126     0.825     0.825 peak   396 weight  1.00000E+00 volume  9.17996E+05 ppm1      1.468 ppm2      1.763

 ASSI {  396}
   (( segid "   A" and resid 6    and name  HB1 ))
   (( segid "   B" and resid 6    and name  HG  ))
      4.126     0.825     0.825 peak   396 weight  1.00000E+00 volume  9.17996E+05 ppm1      1.468 ppm2      1.763

 ASSI {  168}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HB2 ))
      3.413     0.683     0.683 peak   168 weight  1.00000E+00 volume  2.86770E+06 ppm1      4.165 ppm2      1.722

ASSI {  168}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HB2 ))
      3.413     0.683     0.683 peak   168 weight  1.00000E+00 volume  2.86770E+06 ppm1      4.165 ppm2      1.722

 ASSI {  271}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 8    and name  HA  ))
      4.412     0.882     0.882 peak   271 weight  1.00000E+00 volume  -6.14144E+05 ppm1      4.397 ppm2      8.205

ASSI {  271}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 8    and name  HA  ))
      4.412     0.882     0.882 peak   271 weight  1.00000E+00 volume  -6.14144E+05 ppm1      4.397 ppm2      8.205

 ASSI {   86}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HG2 ))
      3.687     0.737     0.737 peak    86 weight  1.00000E+00 volume  1.80344E+06 ppm1      1.855 ppm2      1.442

ASSI {   86}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HG2 ))
      3.687     0.737     0.737 peak    86 weight  1.00000E+00 volume  1.80344E+06 ppm1      1.855 ppm2      1.442

 ASSI {  183}
   (( segid "   A" and resid 32   and name  HA2 ))
   (  segid "   A" and resid 31   and name  HG2#)
      4.100     0.820     0.820 peak   183 weight  1.00000E+00 volume  9.53233E+05 ppm1      0.984 ppm2      3.868

ASSI {  183}
   (( segid "   B" and resid 32   and name  HA2 ))
   (  segid "   B" and resid 31   and name  HG2#)
      4.100     0.820     0.820 peak   183 weight  1.00000E+00 volume  9.53233E+05 ppm1      0.984 ppm2      3.868

 ASSI {  143}
   (( segid "   B" and resid 12   and name  HB2  ))
   (( segid "   B" and resid 10   and name  HA  ))
      5.030     1.006     1.006 peak   143 weight  1.00000E+00 volume  2.79739E+05 ppm1      2.255 ppm2      3.421

ASSI {  143}
   (( segid "   A" and resid 12   and name  HB2  ))
   (( segid "   A" and resid 10   and name  HA  ))
      5.030     1.006     1.006 peak   143 weight  1.00000E+00 volume  2.79739E+05 ppm1      2.255 ppm2      3.421
!10HB

 ASSI {   91}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   B" and resid 6    and name  HB1 ))
      4.760     0.952     0.952 peak    91 weight  1.00000E+00 volume  3.89310E+05 ppm1      1.460 ppm2      4.170

 ASSI {   91}
   (( segid "   B" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      4.760     0.952     0.952 peak    91 weight  1.00000E+00 volume  3.89310E+05 ppm1      1.460 ppm2      4.170

! ASSI {  448}
!   (( segid "   B" and resid 6    and name  HN  ))
!   (( segid "   A" and resid 6    and name  HG  ))
!      4.341     0.868     0.868 peak   448 weight  1.00000E+00 volume  -6.76855E+05 ppm1      1.786 ppm2      7.845

 ASSI {  399}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.603     0.721     0.721 peak   399 weight  1.00000E+00 volume  2.06963E+06 ppm1      3.830 ppm2      2.189

ASSI {  399}
   (( segid "   B" and resid 7    and name  HA  ))
   (( segid "   B" and resid 7    and name  HB2 ))
      3.603     0.721     0.721 peak   399 weight  1.00000E+00 volume  2.06963E+06 ppm1      3.830 ppm2      2.189

 ASSI {  235}
   (( segid "   A" and resid 20   and name  HG  ))
   (( segid "   A" and resid 17   and name  HA  ))
      3.801     0.760     0.760 peak   235 weight  1.00000E+00 volume  1.50168E+06 ppm1      4.393 ppm2      2.102

 ASSI {  235}
   (( segid "   B" and resid 20   and name  HG  ))
   (( segid "   B" and resid 17   and name  HA  ))
      3.801     0.760     0.760 peak   235 weight  1.00000E+00 volume  1.50168E+06 ppm1      4.393 ppm2      2.102

 ASSI {  203}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 28   and name  HB1 ))
      4.411     0.882     0.882 peak   203 weight  1.00000E+00 volume  6.15265E+05 ppm1      4.012 ppm2      1.790

ASSI {  203}
   (( segid "   B" and resid 25   and name  HA  ))
   (( segid "   B" and resid 28   and name  HB1 ))
      4.411     0.882     0.882 peak   203 weight  1.00000E+00 volume  6.15265E+05 ppm1      4.012 ppm2      1.790

 ASSI {  469}
   (( segid "   B" and resid 19   and name  HB2 ))
   (( segid "   B" and resid 19   and name  HE2 ))
      5.808     1.162     1.162 peak   469 weight  1.00000E+00 volume  1.17953E+05 ppm1      3.333 ppm2      8.016

ASSI {  469}
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HE2 ))
      5.808     1.162     1.162 peak   469 weight  1.00000E+00 volume  1.17953E+05 ppm1      3.333 ppm2      8.016

! ASSI {  509}
!   (( segid "   B" and resid 26   and name  HB1 ))
!   (  segid "   B" and resid 10   and name  HG1#)
!      3.942     0.788     0.788 peak   509 weight  1.00000E+00 volume  1.12736E+06 ppm1      2.166 ppm2      0.878

 ASSI {  514}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 28   and name  HA  ))
      4.320     0.864     0.864 peak   514 weight  1.00000E+00 volume  6.50939E+05 ppm1      3.818 ppm2      4.195

 ASSI {  514}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 28   and name  HA  ))
      4.320     0.864     0.864 peak   514 weight  1.00000E+00 volume  6.50939E+05 ppm1      3.818 ppm2      4.195
!30HA

 ASSI {  516}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 22   and name  HB1 ))
      4.458     0.892     0.892 peak   516 weight  1.00000E+00 volume  5.39351E+05 ppm1      2.881 ppm2      4.405

 ASSI {  516}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB1 ))
      4.458     0.892     0.892 peak   516 weight  1.00000E+00 volume  5.39351E+05 ppm1      2.881 ppm2      4.405
!22HA

 ASSI {  517}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 16   and name  HB2 ))
      4.505     0.901     0.901 peak   517 weight  1.00000E+00 volume  5.06569E+05 ppm1      1.736 ppm2      4.171

 ASSI {  517}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      4.505     0.901     0.901 peak   517 weight  1.00000E+00 volume  5.06569E+05 ppm1      1.736 ppm2      4.171
!16HA

 ASSI {  518}
   (( segid "   B" and resid 27   and name  HA  ))
   (( segid "   B" and resid 26   and name  HB2 ))
      4.619     0.924     0.924 peak   518 weight  1.00000E+00 volume  4.36037E+05 ppm1      1.882 ppm2      3.930

 ASSI {  518}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      4.619     0.924     0.924 peak   518 weight  1.00000E+00 volume  4.36037E+05 ppm1      1.882 ppm2      3.930

 ASSI {  519}
   (( segid "   B" and resid 27   and name  HA  ))
   (( segid "   B" and resid 26   and name  HB1 ))
      4.510     0.902     0.902 peak   519 weight  1.00000E+00 volume  5.03084E+05 ppm1      2.161 ppm2      3.940

 ASSI {  519}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB1 ))
      4.510     0.902     0.902 peak   519 weight  1.00000E+00 volume  5.03084E+05 ppm1      2.161 ppm2      3.940

 ASSI {  520}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB1 ))
      4.255     0.851     0.851 peak   520 weight  1.00000E+00 volume  7.12994E+05 ppm1      2.161 ppm2      4.452

 ASSI {  520}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 26   and name  HB1 ))
      4.255     0.851     0.851 peak   520 weight  1.00000E+00 volume  7.12994E+05 ppm1      2.161 ppm2      4.452

 ASSI {  522}
   (  segid "   B" and resid 24   and name  HG1#)
   (( segid "   B" and resid 28   and name  HG1 ))
      4.020     0.804     0.804 peak   522 weight  1.00000E+00 volume  1.00247E+06 ppm1      1.332 ppm2      0.847

 ASSI {  522}
   (  segid "   A" and resid 24   and name  HG1#)
   (( segid "   A" and resid 28   and name  HG1 ))
      4.020     0.804     0.804 peak   522 weight  1.00000E+00 volume  1.00247E+06 ppm1      1.332 ppm2      0.847

 ASSI {  531}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 10   and name  HB2 ))
      4.360     0.872     0.872 peak   531 weight  1.00000E+00 volume  6.16509E+05 ppm1      2.247 ppm2      4.163

 ASSI {  531}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 10   and name  HB2 ))
      4.360     0.872     0.872 peak   531 weight  1.00000E+00 volume  6.16509E+05 ppm1      2.247 ppm2      4.163
!12HB2

 ASSI {  538}
   (( segid "   B" and resid 7    and name  HA  ))
   (  segid "   B" and resid 10   and name  HG1#)
      3.496     0.699     0.699 peak   538 weight  1.00000E+00 volume  2.32026E+06 ppm1      3.821 ppm2      0.891

 ASSI {  538}
   (( segid "   A" and resid 7    and name  HA  ))
   (  segid "   A" and resid 10   and name  HG1#)
      3.496     0.699     0.699 peak   538 weight  1.00000E+00 volume  2.32026E+06 ppm1      3.821 ppm2      0.891

 ASSI {  545}
   (( segid "   B" and resid 16   and name  HG2 ))
   (( segid "   B" and resid 13   and name  HA  ))
      4.813     0.963     0.963 peak   545 weight  1.00000E+00 volume  3.40656E+05 ppm1      1.474 ppm2      4.040

 ASSI {  545}
   (( segid "   A" and resid 16   and name  HG2 ))
   (( segid "   A" and resid 13   and name  HA  ))
      4.813     0.963     0.963 peak   545 weight  1.00000E+00 volume  3.40656E+05 ppm1      1.474 ppm2      4.040
!14HB2

 ASSI {  547}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      4.519     0.904     0.904 peak   547 weight  1.00000E+00 volume  4.97207E+05 ppm1      1.946 ppm2      4.045

 ASSI {  547}
   (( segid "   B" and resid 15   and name  HA  ))
   (( segid "   B" and resid 14   and name  HB1 ))
      4.519     0.904     0.904 peak   547 weight  1.00000E+00 volume  4.97207E+05 ppm1      1.946 ppm2      4.045
!14HA

 ASSI {  555}
   (( segid "   B" and resid 6    and name  HB1 ))
   (( segid "   B" and resid 6    and name  HG  ))
      3.372     0.674     0.674 peak   555 weight  1.00000E+00 volume  2.88127E+06 ppm1      1.783 ppm2      1.408

 ASSI {  555}
   (( segid "   A" and resid 6    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HG  ))
      3.372     0.674     0.674 peak   555 weight  1.00000E+00 volume  2.88127E+06 ppm1      1.783 ppm2      1.408

 ASSI {  556}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 28   and name  HB1 ))
      4.367     0.873     0.873 peak   556 weight  1.00000E+00 volume  6.10184E+05 ppm1      1.763 ppm2      4.181

 ASSI {  556}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 28   and name  HB1 ))
      4.367     0.873     0.873 peak   556 weight  1.00000E+00 volume  6.10184E+05 ppm1      1.763 ppm2      4.181

 ASSI {  558}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HG  ))
      5.086     1.017     1.017 peak   558 weight  1.00000E+00 volume  2.44611E+05 ppm1      1.620 ppm2      2.134

 ASSI {  558}
   (( segid "   B" and resid 26   and name  HB1 ))
   (( segid "   B" and resid 27   and name  HG  ))
      5.086     1.017     1.017 peak   558 weight  1.00000E+00 volume  2.44611E+05 ppm1      1.620 ppm2      2.134

 ASSI {  560}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 12   and name  HG1 ))
      5.296     1.059     1.059 peak   560 weight  1.00000E+00 volume  1.91812E+05 ppm1      2.333 ppm2      4.181

 ASSI {  560}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      5.296     1.059     1.059 peak   560 weight  1.00000E+00 volume  1.91812E+05 ppm1      2.333 ppm2      4.181
!12HA

 ASSI {  164}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   A" and resid 17   and name  HD22))
      4.608     0.922     0.922 peak   164 weight  1.00000E+00 volume  4.03416E+05 ppm1      7.615 ppm2      4.376

 ASSI {  164}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   B" and resid 17   and name  HD22))
      4.608     0.922     0.922 peak   164 weight  1.00000E+00 volume  4.03416E+05 ppm1      7.615 ppm2      4.376

 ASSI {  166}
   (( segid "   B" and resid 17   and name  HB1 ))
   (( segid "   B" and resid 17   and name  HD22))
      4.112     0.822     0.822 peak   166 weight  1.00000E+00 volume  7.99440E+05 ppm1      7.610 ppm2      3.269

 ASSI {  166}
   (( segid "   A" and resid 17   and name  HB1 ))
   (( segid "   A" and resid 17   and name  HD22))
      4.112     0.822     0.822 peak   166 weight  1.00000E+00 volume  7.99440E+05 ppm1      7.610 ppm2      3.269

 ASSI {  169}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 17   and name  HD22))
      4.337     0.867     0.867 peak   169 weight  1.00000E+00 volume  5.80594E+05 ppm1      7.610 ppm2      2.749

 ASSI {  169}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HD22))
      4.337     0.867     0.867 peak   169 weight  1.00000E+00 volume  5.80594E+05 ppm1      7.610 ppm2      2.749

 ASSI {  171}
   (( segid "   A" and resid 5    and name  HE21))
   (( segid "   A" and resid 5    and name  HE22))
      2.734     0.547     0.547 peak   171 weight  1.00000E+00 volume  9.24692E+06 ppm1      6.896 ppm2      7.623

 ASSI {  171}
   (( segid "   B" and resid 5    and name  HE21))
   (( segid "   B" and resid 5    and name  HE22))
      2.734     0.547     0.547 peak   171 weight  1.00000E+00 volume  9.24692E+06 ppm1      6.896 ppm2      7.623

 ASSI {  173}
   (( segid "   A" and resid 5    and name  HG2 ))
   (( segid "   A" and resid 5    and name  HE21))
      4.330     0.866     0.866 peak   173 weight  1.00000E+00 volume  5.86212E+05 ppm1      7.615 ppm2      2.462

 ASSI {  173}
   (( segid "   B" and resid 5    and name  HG2 ))
   (( segid "   B" and resid 5    and name  HE21))
      4.330     0.866     0.866 peak   173 weight  1.00000E+00 volume  5.86212E+05 ppm1      7.615 ppm2      2.462

 ASSI {  175}
   (( segid "   A" and resid 22   and name  HD21))
   (( segid "   A" and resid 22   and name  HD22))
      2.720     0.544     0.544 peak   175 weight  1.00000E+00 volume  9.53637E+06 ppm1      7.436 ppm2      5.840

 ASSI {  175}
   (( segid "   B" and resid 22   and name  HD21))
   (( segid "   B" and resid 22   and name  HD22))
      2.720     0.544     0.544 peak   175 weight  1.00000E+00 volume  9.53637E+06 ppm1      7.436 ppm2      5.840

 ASSI {  177}
   (( segid "   B" and resid 22   and name  HA  ))
   (( segid "   B" and resid 22   and name  HD22))
      5.104     1.021     1.021 peak   177 weight  1.00000E+00 volume  2.18378E+05 ppm1      7.436 ppm2      4.419

 ASSI {  177}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HD22))
      5.104     1.021     1.021 peak   177 weight  1.00000E+00 volume  2.18378E+05 ppm1      7.436 ppm2      4.419

 ASSI {  178}
   (( segid "   B" and resid 22   and name  HA  ))
   (( segid "   B" and resid 22   and name  HD21))
      5.271     1.054     1.054 peak   178 weight  1.00000E+00 volume  1.80121E+05 ppm1      5.831 ppm2      4.456

 ASSI {  178}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HD21))
      5.271     1.054     1.054 peak   178 weight  1.00000E+00 volume  1.80121E+05 ppm1      5.831 ppm2      4.456

 ASSI {  179}
   (( segid "   B" and resid 22   and name  HB1 ))
   (( segid "   B" and resid 22   and name  HD22))
      3.849     0.770     0.770 peak   179 weight  1.00000E+00 volume  1.18785E+06 ppm1      7.442 ppm2      2.845

 ASSI {  179}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HD22))
      3.849     0.770     0.770 peak   179 weight  1.00000E+00 volume  1.18785E+06 ppm1      7.442 ppm2      2.845

 ASSI {  180}
   (( segid "   B" and resid 22   and name  HB1 ))
   (( segid "   B" and resid 22   and name  HD21))
      4.434     0.887     0.887 peak   180 weight  1.00000E+00 volume  5.08071E+05 ppm1      5.831 ppm2      2.845

 ASSI {  180}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HD21))
      4.434     0.887     0.887 peak   180 weight  1.00000E+00 volume  5.08071E+05 ppm1      5.831 ppm2      2.845


# Restraints file 3: 66_dihed_chi.tbl
restraints dihedral reset
set message=on echo=on end

ASSIGN   (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -63.960 35.00 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 -27.619 35.00 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -68.916 35.00 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 -27.932 35.00 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -69.616 35.00 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 -32.008 35.00 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -68.460 35.00 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 -41.468 35.00 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -63.059 35.00 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 -38.631 35.00 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -66.356 35.00 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -36.042 35.00 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -69.828 35.00 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -35.967 35.00 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -63.771 35.00 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 -41.570 35.00 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -65.098 35.00 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -37.414 35.00 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -66.555 35.00 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 -39.543 35.00 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -65.010 35.00 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 -44.178 35.00 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -66.882 35.00 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -38.781 35.00 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -67.773 35.00 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -35.972 35.00 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -67.758 35.00 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -37.470 35.00 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -66.445 35.00 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 -37.250 35.00 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -65.582 35.00 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 -41.388 35.00 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -67.910 35.00 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 -38.849 35.00 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -65.968 35.00 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 -41.413 35.00 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -65.403 35.00 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 -35.846 35.00 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -68.060 35.00 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 -37.488 35.00 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -69.149 35.00 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 -36.705 35.00 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -64.463 35.00 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 -44.151 35.00 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -66.021 35.00 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -37.560 35.00 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -67.194 35.00 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -41.431 35.00 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -65.449 35.00 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -41.339 35.00 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -62.743 35.00 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 -37.158 35.00 2

 ASSIGN  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00 -67.753 35.00 2

 ASSIGN  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00 -31.659 35.00 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -77.310 35.00 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  )
         (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )  1.00 -26.650 35.00 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -97.019 35.00 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00  -0.159 35.00 2

 ASSIGN  (segid "   B" and resid 2    and name C   ) (segid "   B" and resid 3    and name N   )
         (segid "   B" and resid 3    and name CA  ) (segid "   B" and resid 3    and name C   )  1.00 -63.960 35.00 2

 ASSIGN  (segid "   B" and resid 3    and name N   ) (segid "   B" and resid 3    and name CA  )
         (segid "   B" and resid 3    and name C   ) (segid "   B" and resid 4    and name N   )  1.00 -27.619 35.00 2

 ASSIGN  (segid "   B" and resid 3    and name C   ) (segid "   B" and resid 4    and name N   )
         (segid "   B" and resid 4    and name CA  ) (segid "   B" and resid 4    and name C   )  1.00 -68.916 35.00 2

 ASSIGN  (segid "   B" and resid 4    and name N   ) (segid "   B" and resid 4    and name CA  )
         (segid "   B" and resid 4    and name C   ) (segid "   B" and resid 5    and name N   )  1.00 -27.932 35.00 2

 ASSIGN  (segid "   B" and resid 4    and name C   ) (segid "   B" and resid 5    and name N   )
         (segid "   B" and resid 5    and name CA  ) (segid "   B" and resid 5    and name C   )  1.00 -69.616 35.00 2

 ASSIGN  (segid "   B" and resid 5    and name N   ) (segid "   B" and resid 5    and name CA  )
         (segid "   B" and resid 5    and name C   ) (segid "   B" and resid 6    and name N   )  1.00 -32.008 35.00 2

 ASSIGN  (segid "   B" and resid 5    and name C   ) (segid "   B" and resid 6    and name N   )
         (segid "   B" and resid 6    and name CA  ) (segid "   B" and resid 6    and name C   )  1.00 -68.460 35.00 2

 ASSIGN  (segid "   B" and resid 6    and name N   ) (segid "   B" and resid 6    and name CA  )
         (segid "   B" and resid 6    and name C   ) (segid "   B" and resid 7    and name N   )  1.00 -41.468 35.00 2

 ASSIGN  (segid "   B" and resid 6    and name C   ) (segid "   B" and resid 7    and name N   )
         (segid "   B" and resid 7    and name CA  ) (segid "   B" and resid 7    and name C   )  1.00 -63.059 35.00 2

 ASSIGN  (segid "   B" and resid 7    and name N   ) (segid "   B" and resid 7    and name CA  )
         (segid "   B" and resid 7    and name C   ) (segid "   B" and resid 8    and name N   )  1.00 -38.631 35.00 2

 ASSIGN  (segid "   B" and resid 7    and name C   ) (segid "   B" and resid 8    and name N   )
         (segid "   B" and resid 8    and name CA  ) (segid "   B" and resid 8    and name C   )  1.00 -66.356 35.00 2

 ASSIGN  (segid "   B" and resid 8    and name N   ) (segid "   B" and resid 8    and name CA  )
         (segid "   B" and resid 8    and name C   ) (segid "   B" and resid 9    and name N   )  1.00 -36.042 35.00 2

 ASSIGN  (segid "   B" and resid 8    and name C   ) (segid "   B" and resid 9    and name N   )
         (segid "   B" and resid 9    and name CA  ) (segid "   B" and resid 9    and name C   )  1.00 -69.828 35.00 2

 ASSIGN  (segid "   B" and resid 9    and name N   ) (segid "   B" and resid 9    and name CA  )
         (segid "   B" and resid 9    and name C   ) (segid "   B" and resid 10   and name N   )  1.00 -35.967 35.00 2

 ASSIGN  (segid "   B" and resid 9    and name C   ) (segid "   B" and resid 10   and name N   )
         (segid "   B" and resid 10   and name CA  ) (segid "   B" and resid 10   and name C   )  1.00 -63.771 35.00 2

 ASSIGN  (segid "   B" and resid 10   and name N   ) (segid "   B" and resid 10   and name CA  )
         (segid "   B" and resid 10   and name C   ) (segid "   B" and resid 11   and name N   )  1.00 -41.570 35.00 2

 ASSIGN  (segid "   B" and resid 10   and name C   ) (segid "   B" and resid 11   and name N   )
         (segid "   B" and resid 11   and name CA  ) (segid "   B" and resid 11   and name C   )  1.00 -65.098 35.00 2

 ASSIGN  (segid "   B" and resid 11   and name N   ) (segid "   B" and resid 11   and name CA  )
         (segid "   B" and resid 11   and name C   ) (segid "   B" and resid 12   and name N   )  1.00 -37.414 35.00 2

 ASSIGN  (segid "   B" and resid 11   and name C   ) (segid "   B" and resid 12   and name N   )
         (segid "   B" and resid 12   and name CA  ) (segid "   B" and resid 12   and name C   )  1.00 -66.555 35.00 2

 ASSIGN  (segid "   B" and resid 12   and name N   ) (segid "   B" and resid 12   and name CA  )
         (segid "   B" and resid 12   and name C   ) (segid "   B" and resid 13   and name N   )  1.00 -39.543 35.00 2

 ASSIGN  (segid "   B" and resid 12   and name C   ) (segid "   B" and resid 13   and name N   )
         (segid "   B" and resid 13   and name CA  ) (segid "   B" and resid 13   and name C   )  1.00 -65.010 35.00 2

 ASSIGN  (segid "   B" and resid 13   and name N   ) (segid "   B" and resid 13   and name CA  )
         (segid "   B" and resid 13   and name C   ) (segid "   B" and resid 14   and name N   )  1.00 -44.178 35.00 2

 ASSIGN  (segid "   B" and resid 13   and name C   ) (segid "   B" and resid 14   and name N   )
         (segid "   B" and resid 14   and name CA  ) (segid "   B" and resid 14   and name C   )  1.00 -66.882 35.00 2

 ASSIGN  (segid "   B" and resid 14   and name N   ) (segid "   B" and resid 14   and name CA  )
         (segid "   B" and resid 14   and name C   ) (segid "   B" and resid 15   and name N   )  1.00 -38.781 35.00 2

 ASSIGN  (segid "   B" and resid 14   and name C   ) (segid "   B" and resid 15   and name N   )
         (segid "   B" and resid 15   and name CA  ) (segid "   B" and resid 15   and name C   )  1.00 -67.773 35.00 2

 ASSIGN  (segid "   B" and resid 15   and name N   ) (segid "   B" and resid 15   and name CA  )
         (segid "   B" and resid 15   and name C   ) (segid "   B" and resid 16   and name N   )  1.00 -35.972 35.00 2

 ASSIGN  (segid "   B" and resid 15   and name C   ) (segid "   B" and resid 16   and name N   )
         (segid "   B" and resid 16   and name CA  ) (segid "   B" and resid 16   and name C   )  1.00 -67.758 35.00 2

 ASSIGN  (segid "   B" and resid 16   and name N   ) (segid "   B" and resid 16   and name CA  )
         (segid "   B" and resid 16   and name C   ) (segid "   B" and resid 17   and name N   )  1.00 -37.470 35.00 2

 ASSIGN  (segid "   B" and resid 16   and name C   ) (segid "   B" and resid 17   and name N   )
         (segid "   B" and resid 17   and name CA  ) (segid "   B" and resid 17   and name C   )  1.00 -66.445 35.00 2

 ASSIGN  (segid "   B" and resid 17   and name N   ) (segid "   B" and resid 17   and name CA  )
         (segid "   B" and resid 17   and name C   ) (segid "   B" and resid 18   and name N   )  1.00 -37.250 35.00 2

 ASSIGN  (segid "   B" and resid 17   and name C   ) (segid "   B" and resid 18   and name N   )
         (segid "   B" and resid 18   and name CA  ) (segid "   B" and resid 18   and name C   )  1.00 -65.582 35.00 2

 ASSIGN  (segid "   B" and resid 18   and name N   ) (segid "   B" and resid 18   and name CA  )
         (segid "   B" and resid 18   and name C   ) (segid "   B" and resid 19   and name N   )  1.00 -41.388 35.00 2

 ASSIGN  (segid "   B" and resid 18   and name C   ) (segid "   B" and resid 19   and name N   )
         (segid "   B" and resid 19   and name CA  ) (segid "   B" and resid 19   and name C   )  1.00 -67.910 35.00 2

 ASSIGN  (segid "   B" and resid 19   and name N   ) (segid "   B" and resid 19   and name CA  )
         (segid "   B" and resid 19   and name C   ) (segid "   B" and resid 20   and name N   )  1.00 -38.849 35.00 2

 ASSIGN  (segid "   B" and resid 19   and name C   ) (segid "   B" and resid 20   and name N   )
         (segid "   B" and resid 20   and name CA  ) (segid "   B" and resid 20   and name C   )  1.00 -65.968 35.00 2

 ASSIGN  (segid "   B" and resid 20   and name N   ) (segid "   B" and resid 20   and name CA  )
         (segid "   B" and resid 20   and name C   ) (segid "   B" and resid 21   and name N   )  1.00 -41.413 35.00 2

 ASSIGN  (segid "   B" and resid 20   and name C   ) (segid "   B" and resid 21   and name N   )
         (segid "   B" and resid 21   and name CA  ) (segid "   B" and resid 21   and name C   )  1.00 -65.403 35.00 2

 ASSIGN  (segid "   B" and resid 21   and name N   ) (segid "   B" and resid 21   and name CA  )
         (segid "   B" and resid 21   and name C   ) (segid "   B" and resid 22   and name N   )  1.00 -35.846 35.00 2

 ASSIGN  (segid "   B" and resid 21   and name C   ) (segid "   B" and resid 22   and name N   )
         (segid "   B" and resid 22   and name CA  ) (segid "   B" and resid 22   and name C   )  1.00 -68.060 35.00 2

 ASSIGN  (segid "   B" and resid 22   and name N   ) (segid "   B" and resid 22   and name CA  )
         (segid "   B" and resid 22   and name C   ) (segid "   B" and resid 23   and name N   )  1.00 -37.488 35.00 2

 ASSIGN  (segid "   B" and resid 22   and name C   ) (segid "   B" and resid 23   and name N   )
         (segid "   B" and resid 23   and name CA  ) (segid "   B" and resid 23   and name C   )  1.00 -69.149 35.00 2

 ASSIGN  (segid "   B" and resid 23   and name N   ) (segid "   B" and resid 23   and name CA  )
         (segid "   B" and resid 23   and name C   ) (segid "   B" and resid 24   and name N   )  1.00 -36.705 35.00 2

 ASSIGN  (segid "   B" and resid 23   and name C   ) (segid "   B" and resid 24   and name N   )
         (segid "   B" and resid 24   and name CA  ) (segid "   B" and resid 24   and name C   )  1.00 -64.463 35.00 2

 ASSIGN  (segid "   B" and resid 24   and name N   ) (segid "   B" and resid 24   and name CA  )
         (segid "   B" and resid 24   and name C   ) (segid "   B" and resid 25   and name N   )  1.00 -44.151 35.00 2

 ASSIGN  (segid "   B" and resid 24   and name C   ) (segid "   B" and resid 25   and name N   )
         (segid "   B" and resid 25   and name CA  ) (segid "   B" and resid 25   and name C   )  1.00 -66.021 35.00 2

 ASSIGN  (segid "   B" and resid 25   and name N   ) (segid "   B" and resid 25   and name CA  )
         (segid "   B" and resid 25   and name C   ) (segid "   B" and resid 26   and name N   )  1.00 -37.560 35.00 2

 ASSIGN  (segid "   B" and resid 25   and name C   ) (segid "   B" and resid 26   and name N   )
         (segid "   B" and resid 26   and name CA  ) (segid "   B" and resid 26   and name C   )  1.00 -67.194 35.00 2

 ASSIGN  (segid "   B" and resid 26   and name N   ) (segid "   B" and resid 26   and name CA  )
         (segid "   B" and resid 26   and name C   ) (segid "   B" and resid 27   and name N   )  1.00 -41.431 35.00 2

 ASSIGN  (segid "   B" and resid 26   and name C   ) (segid "   B" and resid 27   and name N   )
         (segid "   B" and resid 27   and name CA  ) (segid "   B" and resid 27   and name C   )  1.00 -65.449 35.00 2

 ASSIGN  (segid "   B" and resid 27   and name N   ) (segid "   B" and resid 27   and name CA  )
         (segid "   B" and resid 27   and name C   ) (segid "   B" and resid 28   and name N   )  1.00 -41.339 35.00 2

 ASSIGN  (segid "   B" and resid 27   and name C   ) (segid "   B" and resid 28   and name N   )
         (segid "   B" and resid 28   and name CA  ) (segid "   B" and resid 28   and name C   )  1.00 -62.743 35.00 2

 ASSIGN  (segid "   B" and resid 28   and name N   ) (segid "   B" and resid 28   and name CA  )
         (segid "   B" and resid 28   and name C   ) (segid "   B" and resid 29   and name N   )  1.00 -37.158 35.00 2

 ASSIGN  (segid "   B" and resid 28   and name C   ) (segid "   B" and resid 29   and name N   )
         (segid "   B" and resid 29   and name CA  ) (segid "   B" and resid 29   and name C   )  1.00 -67.753 35.00 2

 ASSIGN  (segid "   B" and resid 29   and name N   ) (segid "   B" and resid 29   and name CA  )
         (segid "   B" and resid 29   and name C   ) (segid "   B" and resid 30   and name N   )  1.00 -31.659 35.00 2

 ASSIGN  (segid "   B" and resid 29   and name C   ) (segid "   B" and resid 30   and name N   )
         (segid "   B" and resid 30   and name CA  ) (segid "   B" and resid 30   and name C   )  1.00 -77.310 35.00 2

 ASSIGN  (segid "   B" and resid 30   and name N   ) (segid "   B" and resid 30   and name CA  )
         (segid "   B" and resid 30   and name C   ) (segid "   B" and resid 31   and name N   )  1.00 -26.650 35.00 2

 ASSIGN  (segid "   B" and resid 30   and name C   ) (segid "   B" and resid 31   and name N   )
         (segid "   B" and resid 31   and name CA  ) (segid "   B" and resid 31   and name C   )  1.00 -97.019 35.00 2

 ASSIGN  (segid "   B" and resid 31   and name N   ) (segid "   B" and resid 31   and name CA  )
         (segid "   B" and resid 31   and name C   ) (segid "   B" and resid 32   and name N   )  1.00  -0.159 35.00 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name CB  ) (segid "   A" and resid 8    and name CG  )  1.00 -73.700 35.00 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name CB  ) (segid "   A" and resid 10   and name CG1 )  1.00 174.400 35.00 2
 
 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )  
         (segid "   A" and resid 11   and name CB  ) (segid "   A" and resid 11   and name CG1 )  1.00 -65.500 35.00 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name CB  ) (segid "   A" and resid 13   and name CG  )  1.00 -70.700 35.00 2

! ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )  
!         (segid "   A" and resid 17   and name CB  ) (segid "   A" and resid 17   and name CG  )  1.00 -75.100 35.00 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )  
         (segid "   A" and resid 22   and name CB  ) (segid "   A" and resid 22   and name CG  )  1.00 -74.300 35.00 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )  
         (segid "   A" and resid 24   and name CB  ) (segid "   A" and resid 24   and name CG1 )  1.00 174.700 35.00 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  ) 
         (segid "   A" and resid 30   and name CB  ) (segid "   A" and resid 30   and name CG  )  1.00 -69.400 35.00 2

 ASSIGN  (segid "   B" and resid 8    and name N   ) (segid "   B" and resid 8    and name CA  )
         (segid "   B" and resid 8    and name CB  ) (segid "   B" and resid 8    and name CG  )  1.00 -73.700 35.00 2

 ASSIGN  (segid "   B" and resid 10   and name N   ) (segid "   B" and resid 10   and name CA  )
         (segid "   B" and resid 10   and name CB  ) (segid "   B" and resid 10   and name CG1 )  1.00 174.400 35.00 2
 
 ASSIGN  (segid "   B" and resid 11   and name N   ) (segid "   B" and resid 11   and name CA  )  
         (segid "   B" and resid 11   and name CB  ) (segid "   B" and resid 11   and name CG1 )  1.00 -65.500 35.00 2

 ASSIGN  (segid "   B" and resid 13   and name N   ) (segid "   B" and resid 13   and name CA  )
         (segid "   B" and resid 13   and name CB  ) (segid "   B" and resid 13   and name CG  )  1.00 -70.700 35.00 2

! ASSIGN  (segid "   B" and resid 17   and name N   ) (segid "   B" and resid 17   and name CA  )  
!         (segid "   B" and resid 17   and name CB  ) (segid "   B" and resid 17   and name CG  )  1.00 -75.100 35.00 2

 ASSIGN  (segid "   B" and resid 22   and name N   ) (segid "   B" and resid 22   and name CA  )  
         (segid "   B" and resid 22   and name CB  ) (segid "   B" and resid 22   and name CG  )  1.00 -74.300 35.00 2

 ASSIGN  (segid "   B" and resid 24   and name N   ) (segid "   B" and resid 24   and name CA  )  
         (segid "   B" and resid 24   and name CB  ) (segid "   B" and resid 24   and name CG1 )  1.00 174.700 35.00 2

 ASSIGN  (segid "   B" and resid 30   and name N   ) (segid "   B" and resid 30   and name CA  ) 
         (segid "   B" and resid 30   and name CB  ) (segid "   B" and resid 30   and name CG  )  1.00 -69.400 35.00 2


set message=off echo=off end
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  26.486   4.148  -6.008
    2    H2   GLY   1           H2       GLY   1  27.548   3.484  -4.873
    3    H3   GLY   1           H3       GLY   1  26.109   4.212  -4.362
    4    HA2  GLY   1           HA2      GLY   1  26.340   1.729  -5.965
    5    HA3  GLY   1           HA3      GLY   1  25.895   1.824  -4.266
    6    H    SER   2           H        SER   2  23.848   1.000  -4.418
    7    HA   SER   2           HA       SER   2  21.937   2.608  -5.984
    8    HB2  SER   2           HB3      SER   2  21.715  -0.359  -5.418
    9    HB3  SER   2           HB2      SER   2  20.645   0.607  -6.433
   10    HG   SER   2           HG       SER   2  22.141   0.690  -7.983
   11    H    MET   3           H        MET   3  22.813   2.903  -3.216
   12    HA   MET   3           HA       MET   3  20.999   1.719  -1.411
   13    HB2  MET   3           HB3      MET   3  23.247   2.905  -0.942
   14    HB3  MET   3           HB2      MET   3  22.305   4.389  -0.949
   15    HG2  MET   3           HG3      MET   3  22.542   3.682   1.305
   16    HG3  MET   3           HG2      MET   3  20.867   3.406   0.825
   17    HE1  MET   3           HE1      MET   3  20.538   1.832   2.935
   18    HE2  MET   3           HE2      MET   3  22.217   2.083   3.411
   19    HE3  MET   3           HE3      MET   3  21.567   0.447   3.297
   20    H    LYS   4           H        LYS   4  21.042   4.902  -2.985
   21    HA   LYS   4           HA       LYS   4  18.636   5.821  -1.829
   22    HB2  LYS   4           HB3      LYS   4  20.269   6.680  -4.180
   23    HB3  LYS   4           HB2      LYS   4  18.667   7.357  -3.948
   24    HG2  LYS   4           HG3      LYS   4  20.328   8.824  -3.006
   25    HG3  LYS   4           HG2      LYS   4  19.331   8.145  -1.722
   26    HD2  LYS   4           HD3      LYS   4  21.089   6.515  -1.224
   27    HD3  LYS   4           HD2      LYS   4  22.084   7.195  -2.513
   28    HE2  LYS   4           HE3      LYS   4  22.140   9.337  -1.352
   29    HE3  LYS   4           HE2      LYS   4  21.116   8.684  -0.075
   30    HZ1  LYS   4           HZ1      LYS   4  23.832   7.710  -0.770
   31    HZ2  LYS   4           HZ2      LYS   4  22.854   7.109   0.472
   32    HZ3  LYS   4           HZ3      LYS   4  23.447   8.688   0.554
   33    H    GLN   5           H        GLN   5  19.244   3.671  -4.471
   34    HA   GLN   5           HA       GLN   5  16.820   3.933  -5.862
   35    HB2  GLN   5           HB3      GLN   5  18.647   2.689  -6.831
   36    HB3  GLN   5           HB2      GLN   5  18.641   1.549  -5.496
   37    HG2  GLN   5           HG3      GLN   5  17.641   0.573  -7.468
   38    HG3  GLN   5           HG2      GLN   5  16.448   0.740  -6.183
   39   HE21  GLN   5          HE21      GLN   5  17.572   3.384  -8.197
   40   HE22  GLN   5          HE22      GLN   5  16.073   3.635  -9.018
   41    H    LEU   6           H        LEU   6  17.747   1.823  -3.147
   42    HA   LEU   6           HA       LEU   6  15.101   0.771  -2.882
   43    HB2  LEU   6           HB3      LEU   6  17.453   0.664  -1.006
   44    HB3  LEU   6           HB2      LEU   6  15.904  -0.065  -0.670
   45    HG   LEU   6           HG       LEU   6  16.166  -1.469  -2.718
   46   HD11  LEU   6          HD11      LEU   6  17.767  -0.113  -3.933
   47   HD12  LEU   6          HD12      LEU   6  18.405  -1.734  -3.659
   48   HD13  LEU   6          HD13      LEU   6  18.974  -0.383  -2.677
   49   HD21  LEU   6          HD21      LEU   6  18.279  -1.730  -0.591
   50   HD22  LEU   6          HD22      LEU   6  17.766  -3.009  -1.693
   51   HD23  LEU   6          HD23      LEU   6  16.630  -2.353  -0.513
   52    H    GLU   7           H        GLU   7  16.846   3.491  -1.539
   53    HA   GLU   7           HA       GLU   7  15.115   4.222   0.516
   54    HB2  GLU   7           HB3      GLU   7  16.754   5.907  -1.370
   55    HB3  GLU   7           HB2      GLU   7  15.809   6.608  -0.068
   56    HG2  GLU   7           HG3      GLU   7  17.963   4.543   0.335
   57    HG3  GLU   7           HG2      GLU   7  18.217   6.299   0.453
   58    H    ASP   8           H        ASP   8  15.052   5.342  -2.878
   59    HA   ASP   8           HA       ASP   8  12.634   6.756  -2.687
   60    HB2  ASP   8           HB3      ASP   8  13.953   5.457  -5.077
   61    HB3  ASP   8           HB2      ASP   8  12.525   6.478  -5.195
   62    H    LYS   9           H        LYS   9  13.310   3.399  -3.420
   63    HA   LYS   9           HA       LYS   9  10.807   2.485  -4.211
   64    HB2  LYS   9           HB3      LYS   9  13.196   1.338  -2.936
   65    HB3  LYS   9           HB2      LYS   9  11.709   0.444  -2.706
   66    HG2  LYS   9           HG3      LYS   9  12.877   1.225  -5.370
   67    HG3  LYS   9           HG2      LYS   9  13.035  -0.351  -4.603
   68    HD2  LYS   9           HD3      LYS   9  10.542  -0.526  -4.607
   69    HD3  LYS   9           HD2      LYS   9  10.497   0.960  -5.558
   70    HE2  LYS   9           HE3      LYS   9  10.322  -0.932  -7.037
   71    HE3  LYS   9           HE2      LYS   9  11.881  -0.147  -7.282
   72    HZ1  LYS   9           HZ1      LYS   9  11.374  -2.630  -5.736
   73    HZ2  LYS   9           HZ2      LYS   9  12.872  -1.853  -5.825
   74    HZ3  LYS   9           HZ3      LYS   9  12.180  -2.510  -7.218
   75    H    VAL  10           H        VAL  10  12.185   2.484  -0.956
   76    HA   VAL  10           HA       VAL  10  10.017   1.356   0.412
   77    HB   VAL  10           HB       VAL  10  12.118   3.285   1.432
   78   HG11  VAL  10          HG11      VAL  10  10.272   1.465   2.975
   79   HG12  VAL  10          HG12      VAL  10  10.184   3.226   2.919
   80   HG13  VAL  10          HG13      VAL  10  11.575   2.436   3.660
   81   HG21  VAL  10          HG21      VAL  10  13.106   1.273   0.536
   82   HG22  VAL  10          HG22      VAL  10  11.986   0.275   1.463
   83   HG23  VAL  10          HG23      VAL  10  13.202   1.242   2.297
   84    H    GLU  11           H        GLU  11  10.832   4.526  -0.603
   85    HA   GLU  11           HA       GLU  11   8.818   5.874   0.957
   86    HB2  GLU  11           HB3      GLU  11  10.578   6.852  -1.286
   87    HB3  GLU  11           HB2      GLU  11   9.479   7.881  -0.375
   88    HG2  GLU  11           HG3      GLU  11  10.691   7.196   1.699
   89    HG3  GLU  11           HG2      GLU  11  11.864   6.382   0.667
   90    H    GLU  12           H        GLU  12   9.117   5.076  -2.540
   91    HA   GLU  12           HA       GLU  12   6.701   6.304  -3.308
   92    HB2  GLU  12           HB3      GLU  12   8.183   3.958  -4.495
   93    HB3  GLU  12           HB2      GLU  12   6.778   4.696  -5.251
   94    HG2  GLU  12           HG3      GLU  12   9.382   6.075  -4.639
   95    HG3  GLU  12           HG2      GLU  12   8.847   5.518  -6.224
   96    H    LEU  13           H        LEU  13   7.326   2.879  -2.654
   97    HA   LEU  13           HA       LEU  13   4.739   1.931  -2.838
   98    HB2  LEU  13           HB3      LEU  13   6.968   0.965  -1.052
   99    HB3  LEU  13           HB2      LEU  13   5.504   0.064  -1.396
  100    HG   LEU  13           HG       LEU  13   7.587   0.864  -3.431
  101   HD11  LEU  13          HD11      LEU  13   8.386  -0.857  -1.915
  102   HD12  LEU  13          HD12      LEU  13   8.081  -1.530  -3.517
  103   HD13  LEU  13          HD13      LEU  13   6.933  -1.809  -2.208
  104   HD21  LEU  13          HD21      LEU  13   6.326  -0.623  -4.937
  105   HD22  LEU  13          HD22      LEU  13   5.384   0.779  -4.433
  106   HD23  LEU  13          HD23      LEU  13   5.083  -0.796  -3.699
  107    H    LEU  14           H        LEU  14   6.363   3.295   0.007
  108    HA   LEU  14           HA       LEU  14   4.292   2.818   1.834
  109    HB2  LEU  14           HB3      LEU  14   6.550   3.378   2.556
  110    HB3  LEU  14           HB2      LEU  14   6.412   4.972   1.850
  111    HG   LEU  14           HG       LEU  14   4.575   5.467   3.469
  112   HD11  LEU  14          HD11      LEU  14   3.839   3.226   3.975
  113   HD12  LEU  14          HD12      LEU  14   4.390   4.013   5.452
  114   HD13  LEU  14          HD13      LEU  14   5.418   2.825   4.650
  115   HD21  LEU  14          HD21      LEU  14   6.064   5.786   5.377
  116   HD22  LEU  14          HD22      LEU  14   6.860   6.212   3.863
  117   HD23  LEU  14          HD23      LEU  14   7.232   4.681   4.655
  118    H    SER  15           H        SER  15   4.984   5.621  -0.260
  119    HA   SER  15           HA       SER  15   2.871   7.231   0.657
  120    HB2  SER  15           HB3      SER  15   4.097   7.138  -2.110
  121    HB3  SER  15           HB2      SER  15   3.176   8.477  -1.424
  122    HG   SER  15           HG       SER  15   5.777   7.608  -0.848
  123    H    LYS  16           H        LYS  16   3.021   4.741  -1.838
  124    HA   LYS  16           HA       LYS  16   0.325   5.046  -2.707
  125    HB2  LYS  16           HB3      LYS  16   2.168   3.943  -4.011
  126    HB3  LYS  16           HB2      LYS  16   2.083   2.592  -2.891
  127    HG2  LYS  16           HG3      LYS  16   0.885   2.069  -4.912
  128    HG3  LYS  16           HG2      LYS  16  -0.245   2.199  -3.562
  129    HD2  LYS  16           HD3      LYS  16  -0.933   4.388  -4.273
  130    HD3  LYS  16           HD2      LYS  16   0.316   4.424  -5.520
  131    HE2  LYS  16           HE3      LYS  16  -2.007   2.501  -5.411
  132    HE3  LYS  16           HE2      LYS  16  -1.902   3.923  -6.448
  133    HZ1  LYS  16           HZ1      LYS  16  -0.110   1.556  -6.538
  134    HZ2  LYS  16           HZ2      LYS  16   0.054   2.935  -7.503
  135    HZ3  LYS  16           HZ3      LYS  16  -1.306   1.948  -7.666
  136    H    ASN  17           H        ASN  17   1.968   2.853  -0.473
  137    HA   ASN  17           HA       ASN  17  -0.095   1.257   0.417
  138    HB2  ASN  17           HB3      ASN  17   2.273   1.015   1.087
  139    HB3  ASN  17           HB2      ASN  17   2.147   2.481   2.046
  140   HD21  ASN  17          HD21      ASN  17   1.442  -0.919   1.925
  141   HD22  ASN  17          HD22      ASN  17   0.857  -1.047   3.543
  142    H    TYR  18           H        TYR  18   0.836   4.473   1.576
  143    HA   TYR  18           HA       TYR  18  -0.908   4.727   3.691
  144    HB2  TYR  18           HB3      TYR  18   0.910   6.230   3.418
  145    HB3  TYR  18           HB2      TYR  18   0.370   6.703   1.812
  146    HD1  TYR  18           HD1      TYR  18  -0.859   8.613   1.542
  147    HD2  TYR  18           HD2      TYR  18  -0.690   6.793   5.371
  148    HE1  TYR  18           HE1      TYR  18  -2.070  10.507   2.487
  149    HE2  TYR  18           HE2      TYR  18  -1.902   8.685   6.332
  150    HH   TYR  18           HH       TYR  18  -2.319  11.055   5.839
  151    H    HIS  19           H        HIS  19  -1.362   5.723   0.288
  152    HA   HIS  19           HA       HIS  19  -3.945   6.797   0.751
  153    HB2  HIS  19           HB3      HIS  19  -2.587   7.482  -1.182
  154    HB3  HIS  19           HB2      HIS  19  -2.745   5.865  -1.864
  155    HD1  HIS  19           HD1      HIS  19  -4.217   6.191  -3.848
  156    HD2  HIS  19           HD2      HIS  19  -5.664   8.154  -0.483
  157    HE1  HIS  19           HE1      HIS  19  -6.484   7.066  -4.495
  158    HE2  HIS  19           HE2      HIS  19  -7.421   8.049  -2.371
  159    H    LEU  20           H        LEU  20  -2.806   3.610  -0.268
  160    HA   LEU  20           HA       LEU  20  -5.327   2.518  -0.883
  161    HB2  LEU  20           HB3      LEU  20  -2.915   1.117   0.272
  162    HB3  LEU  20           HB2      LEU  20  -4.301   0.329  -0.452
  163    HG   LEU  20           HG       LEU  20  -2.405   2.159  -1.921
  164   HD11  LEU  20          HD11      LEU  20  -1.343   0.074  -1.249
  165   HD12  LEU  20          HD12      LEU  20  -1.610   0.122  -2.991
  166   HD13  LEU  20          HD13      LEU  20  -2.672  -0.840  -1.961
  167   HD21  LEU  20          HD21      LEU  20  -4.647   2.193  -2.863
  168   HD22  LEU  20          HD22      LEU  20  -4.677   0.431  -2.895
  169   HD23  LEU  20          HD23      LEU  20  -3.546   1.311  -3.921
  170    H    GLU  21           H        GLU  21  -3.466   2.590   2.123
  171    HA   GLU  21           HA       GLU  21  -5.245   1.255   3.796
  172    HB2  GLU  21           HB3      GLU  21  -2.841   2.673   4.061
  173    HB3  GLU  21           HB2      GLU  21  -3.968   3.525   5.103
  174    HG2  GLU  21           HG3      GLU  21  -3.312   0.583   5.249
  175    HG3  GLU  21           HG2      GLU  21  -2.700   1.842   6.317
  176    H    ASN  22           H        ASN  22  -5.150   4.633   2.790
  177    HA   ASN  22           HA       ASN  22  -7.264   5.569   4.400
  178    HB2  ASN  22           HB3      ASN  22  -6.285   6.534   1.707
  179    HB3  ASN  22           HB2      ASN  22  -7.469   7.388   2.685
  180   HD21  ASN  22          HD21      ASN  22  -6.124   6.716   5.202
  181   HD22  ASN  22          HD22      ASN  22  -4.716   7.715   5.264
  182    H    GLU  23           H        GLU  23  -7.251   4.464   1.011
  183    HA   GLU  23           HA       GLU  23  -9.993   4.790   0.548
  184    HB2  GLU  23           HB3      GLU  23  -8.073   2.834  -0.726
  185    HB3  GLU  23           HB2      GLU  23  -9.674   3.219  -1.348
  186    HG2  GLU  23           HG3      GLU  23  -7.362   5.131  -1.067
  187    HG3  GLU  23           HG2      GLU  23  -7.954   4.415  -2.565
  188    H    VAL  24           H        VAL  24  -8.178   2.027   1.802
  189    HA   VAL  24           HA       VAL  24 -10.191   0.122   1.886
  190    HB   VAL  24           HB       VAL  24  -7.971   0.577   3.893
  191   HG11  VAL  24          HG11      VAL  24  -8.336  -1.746   4.582
  192   HG12  VAL  24          HG12      VAL  24  -9.732  -1.845   3.509
  193   HG13  VAL  24          HG13      VAL  24  -9.760  -0.752   4.893
  194   HG21  VAL  24          HG21      VAL  24  -6.884  -1.284   2.688
  195   HG22  VAL  24          HG22      VAL  24  -7.144   0.129   1.665
  196   HG23  VAL  24          HG23      VAL  24  -8.207  -1.271   1.521
  197    H    ALA  25           H        ALA  25  -9.262   2.434   4.441
  198    HA   ALA  25           HA       ALA  25 -11.326   1.843   6.231
  199    HB1  ALA  25           HB1      ALA  25  -9.891   4.465   5.869
  200    HB2  ALA  25           HB2      ALA  25  -9.333   3.108   6.847
  201    HB3  ALA  25           HB3      ALA  25 -10.806   3.967   7.291
  202    H    ARG  26           H        ARG  26 -11.182   4.331   3.690
  203    HA   ARG  26           HA       ARG  26 -13.587   5.630   4.223
  204    HB2  ARG  26           HB3      ARG  26 -12.331   5.128   1.517
  205    HB3  ARG  26           HB2      ARG  26 -13.541   6.351   1.875
  206    HG2  ARG  26           HG3      ARG  26 -11.984   7.490   3.346
  207    HG3  ARG  26           HG2      ARG  26 -10.778   6.236   3.049
  208    HD2  ARG  26           HD2      ARG  26 -10.274   8.146   1.675
  209    HD3  ARG  26           HD1      ARG  26 -10.821   6.826   0.644
  210    HE   ARG  26           HE       ARG  26 -12.956   8.568   1.392
  211   HH11  ARG  26          HH11      ARG  26 -10.302   8.131  -0.859
  212   HH12  ARG  26          HH12      ARG  26 -10.969   9.223  -2.034
  213   HH21  ARG  26          HH21      ARG  26 -13.841   9.980  -0.171
  214   HH22  ARG  26          HH22      ARG  26 -12.985  10.262  -1.652
  215    H    LEU  27           H        LEU  27 -12.993   3.071   1.837
  216    HA   LEU  27           HA       LEU  27 -15.671   2.732   1.072
  217    HB2  LEU  27           HB3      LEU  27 -13.355   0.804   1.005
  218    HB3  LEU  27           HB2      LEU  27 -14.884   0.531   0.193
  219    HG   LEU  27           HG       LEU  27 -13.074   2.866  -0.372
  220   HD11  LEU  27          HD11      LEU  27 -11.968   0.795  -0.976
  221   HD12  LEU  27          HD12      LEU  27 -12.464   1.682  -2.416
  222   HD13  LEU  27          HD13      LEU  27 -13.394   0.283  -1.879
  223   HD21  LEU  27          HD21      LEU  27 -15.481   1.782  -1.822
  224   HD22  LEU  27          HD22      LEU  27 -14.454   3.096  -2.390
  225   HD23  LEU  27          HD23      LEU  27 -15.400   3.292  -0.916
  226    H    LYS  28           H        LYS  28 -13.895   1.427   3.766
  227    HA   LYS  28           HA       LYS  28 -15.629  -0.765   4.286
  228    HB2  LYS  28           HB3      LYS  28 -13.210  -0.555   4.970
  229    HB3  LYS  28           HB2      LYS  28 -13.736   0.580   6.202
  230    HG2  LYS  28           HG3      LYS  28 -15.048  -1.130   7.281
  231    HG3  LYS  28           HG2      LYS  28 -14.659  -2.275   5.996
  232    HD2  LYS  28           HD3      LYS  28 -12.565  -0.949   7.712
  233    HD3  LYS  28           HD2      LYS  28 -13.314  -2.507   8.123
  234    HE2  LYS  28           HE3      LYS  28 -11.889  -1.973   5.507
  235    HE3  LYS  28           HE2      LYS  28 -11.098  -2.643   6.933
  236    HZ1  LYS  28           HZ1      LYS  28 -12.633  -4.499   6.872
  237    HZ2  LYS  28           HZ2      LYS  28 -11.804  -4.374   5.406
  238    HZ3  LYS  28           HZ3      LYS  28 -13.409  -3.857   5.516
  239    H    LYS  29           H        LYS  29 -15.247   2.472   5.757
  240    HA   LYS  29           HA       LYS  29 -17.383   2.170   7.587
  241    HB2  LYS  29           HB3      LYS  29 -17.204   4.529   7.966
  242    HB3  LYS  29           HB2      LYS  29 -15.583   3.875   7.786
  243    HG2  LYS  29           HG3      LYS  29 -15.492   4.698   5.498
  244    HG3  LYS  29           HG2      LYS  29 -17.133   5.331   5.656
  245    HD2  LYS  29           HD3      LYS  29 -16.344   6.749   7.524
  246    HD3  LYS  29           HD2      LYS  29 -14.701   6.189   7.216
  247    HE2  LYS  29           HE3      LYS  29 -14.856   7.077   4.923
  248    HE3  LYS  29           HE2      LYS  29 -16.467   7.690   5.286
  249    HZ1  LYS  29           HZ1      LYS  29 -13.969   8.507   6.667
  250    HZ2  LYS  29           HZ2      LYS  29 -15.516   9.113   6.976
  251    HZ3  LYS  29           HZ3      LYS  29 -14.777   9.408   5.486
  252    H    LEU  30           H        LEU  30 -17.339   2.638   4.213
  253    HA   LEU  30           HA       LEU  30 -19.969   3.856   4.120
  254    HB2  LEU  30           HB3      LEU  30 -18.228   2.775   1.905
  255    HB3  LEU  30           HB2      LEU  30 -19.739   3.634   1.674
  256    HG   LEU  30           HG       LEU  30 -17.223   4.783   2.883
  257   HD11  LEU  30          HD11      LEU  30 -18.560   5.304   0.233
  258   HD12  LEU  30          HD12      LEU  30 -17.060   4.408   0.477
  259   HD13  LEU  30          HD13      LEU  30 -17.132   6.128   0.858
  260   HD21  LEU  30          HD21      LEU  30 -18.422   6.924   2.791
  261   HD22  LEU  30          HD22      LEU  30 -19.196   5.778   3.885
  262   HD23  LEU  30          HD23      LEU  30 -19.882   6.073   2.288
  263    H    VAL  31           H        VAL  31 -18.553   0.783   2.935
  264    HA   VAL  31           HA       VAL  31 -21.082  -0.336   2.335
  265    HB   VAL  31           HB       VAL  31 -18.968  -1.026   1.248
  266   HG11  VAL  31          HG11      VAL  31 -17.494  -1.094   3.161
  267   HG12  VAL  31          HG12      VAL  31 -17.522  -2.668   2.363
  268   HG13  VAL  31          HG13      VAL  31 -18.422  -2.421   3.859
  269   HG21  VAL  31          HG21      VAL  31 -19.479  -3.432   1.175
  270   HG22  VAL  31          HG22      VAL  31 -20.917  -2.422   1.034
  271   HG23  VAL  31          HG23      VAL  31 -20.548  -3.223   2.560
  272    H    GLY  32           H        GLY  32 -19.121  -0.397   5.264
  273    HA2  GLY  32           HA3      GLY  32 -21.001  -2.333   6.437
  274    HA3  GLY  32           HA2      GLY  32 -19.396  -1.971   7.056
  275    H    GLU  33           H        GLU  33 -22.353  -0.156   6.263
  276    HA   GLU  33           HA       GLU  33 -22.628   0.760   8.968
  277    HB2  GLU  33           HB3      GLU  33 -20.829   2.217   7.677
  278    HB3  GLU  33           HB2      GLU  33 -22.247   2.956   6.957
  279    HG2  GLU  33           HG3      GLU  33 -21.614   2.858   9.905
  280    HG3  GLU  33           HG2      GLU  33 -21.400   4.242   8.842
  281    H1   GLY   1           H1       GLY   1  26.628  -4.284   6.286
  282    H2   GLY   1           H2       GLY   1  27.648  -3.595   5.129
  283    H3   GLY   1           H3       GLY   1  26.217  -4.351   4.648
  284    HA2  GLY   1           HA2      GLY   1  26.424  -1.874   6.260
  285    HA3  GLY   1           HA3      GLY   1  25.959  -1.965   4.568
  286    H    SER   2           H        SER   2  23.907  -1.177   4.751
  287    HA   SER   2           HA       SER   2  22.037  -2.817   6.329
  288    HB2  SER   2           HB3      SER   2  21.771   0.149   5.785
  289    HB3  SER   2           HB2      SER   2  20.737  -0.837   6.819
  290    HG   SER   2           HG       SER   2  22.255  -0.889   8.337
  291    H    MET   3           H        MET   3  22.879  -3.090   3.553
  292    HA   MET   3           HA       MET   3  21.029  -1.903   1.779
  293    HB2  MET   3           HB3      MET   3  23.283  -3.050   1.272
  294    HB3  MET   3           HB2      MET   3  22.368  -4.550   1.281
  295    HG2  MET   3           HG3      MET   3  22.564  -3.829  -0.971
  296    HG3  MET   3           HG2      MET   3  20.892  -3.576  -0.470
  297    HE1  MET   3           HE1      MET   3  20.513  -2.003  -2.568
  298    HE2  MET   3           HE2      MET   3  22.190  -2.223  -3.069
  299    HE3  MET   3           HE3      MET   3  21.515  -0.599  -2.937
  300    H    LYS   4           H        LYS   4  21.142  -5.092   3.329
  301    HA   LYS   4           HA       LYS   4  18.735  -6.044   2.196
  302    HB2  LYS   4           HB3      LYS   4  20.414  -6.897   4.519
  303    HB3  LYS   4           HB2      LYS   4  18.818  -7.594   4.308
  304    HG2  LYS   4           HG3      LYS   4  20.483  -9.031   3.329
  305    HG3  LYS   4           HG2      LYS   4  19.458  -8.357   2.064
  306    HD2  LYS   4           HD3      LYS   4  21.185  -6.703   1.549
  307    HD3  LYS   4           HD2      LYS   4  22.205  -7.369   2.824
  308    HE2  LYS   4           HE3      LYS   4  22.284  -9.508   1.653
  309    HE3  LYS   4           HE2      LYS   4  21.238  -8.863   0.389
  310    HZ1  LYS   4           HZ1      LYS   4  23.944  -7.843   1.065
  311    HZ2  LYS   4           HZ2      LYS   4  22.944  -7.258  -0.165
  312    HZ3  LYS   4           HZ3      LYS   4  23.568  -8.825  -0.259
  313    H    GLN   5           H        GLN   5  19.347  -3.902   4.841
  314    HA   GLN   5           HA       GLN   5  16.947  -4.214   6.266
  315    HB2  GLN   5           HB3      GLN   5  18.771  -2.955   7.222
  316    HB3  GLN   5           HB2      GLN   5  18.734  -1.804   5.895
  317    HG2  GLN   5           HG3      GLN   5  17.748  -0.854   7.888
  318    HG3  GLN   5           HG2      GLN   5  16.544  -1.027   6.614
  319   HE21  GLN   5          HE21      GLN   5  17.712  -3.676   8.598
  320   HE22  GLN   5          HE22      GLN   5  16.223  -3.941   9.437
  321    H    LEU   6           H        LEU   6  17.807  -2.071   3.555
  322    HA   LEU   6           HA       LEU   6  15.144  -1.053   3.332
  323    HB2  LEU   6           HB3      LEU   6  17.471  -0.900   1.429
  324    HB3  LEU   6           HB2      LEU   6  15.907  -0.191   1.115
  325    HG   LEU   6           HG       LEU   6  16.173   1.202   3.171
  326   HD11  LEU   6          HD11      LEU   6  17.810  -0.142   4.354
  327   HD12  LEU   6          HD12      LEU   6  18.420   1.491   4.084
  328   HD13  LEU   6          HD13      LEU   6  18.996   0.157   3.083
  329   HD21  LEU   6          HD21      LEU   6  18.256   1.509   1.017
  330   HD22  LEU   6          HD22      LEU   6  17.738   2.772   2.134
  331   HD23  LEU   6          HD23      LEU   6  16.596   2.106   0.965
  332    H    GLU   7           H        GLU   7  16.908  -3.739   1.946
  333    HA   GLU   7           HA       GLU   7  15.159  -4.483  -0.091
  334    HB2  GLU   7           HB3      GLU   7  16.846  -6.150   1.768
  335    HB3  GLU   7           HB2      GLU   7  15.894  -6.863   0.478
  336    HG2  GLU   7           HG3      GLU   7  18.013  -4.765   0.054
  337    HG3  GLU   7           HG2      GLU   7  18.287  -6.518  -0.082
  338    H    ASP   8           H        ASP   8  15.159  -5.633   3.294
  339    HA   ASP   8           HA       ASP   8  12.757  -7.074   3.132
  340    HB2  ASP   8           HB3      ASP   8  14.085  -5.764   5.511
  341    HB3  ASP   8           HB2      ASP   8  12.673  -6.806   5.640
  342    H    LYS   9           H        LYS   9  13.398  -3.713   3.874
  343    HA   LYS   9           HA       LYS   9  10.892  -2.843   4.707
  344    HB2  LYS   9           HB3      LYS   9  13.245  -1.648   3.411
  345    HB3  LYS   9           HB2      LYS   9  11.741  -0.777   3.206
  346    HG2  LYS   9           HG3      LYS   9  12.955  -1.557   5.851
  347    HG3  LYS   9           HG2      LYS   9  13.076   0.027   5.093
  348    HD2  LYS   9           HD3      LYS   9  10.584   0.162   5.131
  349    HD3  LYS   9           HD2      LYS   9  10.572  -1.333   6.069
  350    HE2  LYS   9           HE3      LYS   9  10.387   0.547   7.566
  351    HE3  LYS   9           HE2      LYS   9  11.957  -0.222   7.788
  352    HZ1  LYS   9           HZ1      LYS   9  11.414   2.268   6.265
  353    HZ2  LYS   9           HZ2      LYS   9  12.920   1.503   6.346
  354    HZ3  LYS   9           HZ3      LYS   9  12.225   2.146   7.744
  355    H    VAL  10           H        VAL  10  12.223  -2.797   1.436
  356    HA   VAL  10           HA       VAL  10  10.021  -1.691   0.105
  357    HB   VAL  10           HB       VAL  10  12.140  -3.581  -0.953
  358   HG11  VAL  10          HG11      VAL  10  10.248  -1.782  -2.465
  359   HG12  VAL  10          HG12      VAL  10  10.185  -3.544  -2.416
  360   HG13  VAL  10          HG13      VAL  10  11.556  -2.731  -3.171
  361   HG21  VAL  10          HG21      VAL  10  13.107  -1.559  -0.060
  362   HG22  VAL  10          HG22      VAL  10  11.960  -0.572  -0.965
  363   HG23  VAL  10          HG23      VAL  10  13.179  -1.517  -1.822
  364    H    GLU  11           H        GLU  11  10.897  -4.858   1.082
  365    HA   GLU  11           HA       GLU  11   8.876  -6.223  -0.456
  366    HB2  GLU  11           HB3      GLU  11  10.681  -7.197   1.751
  367    HB3  GLU  11           HB2      GLU  11   9.590  -8.231   0.837
  368    HG2  GLU  11           HG3      GLU  11  10.765  -7.510  -1.238
  369    HG3  GLU  11           HG2      GLU  11  11.932  -6.671  -0.219
  370    H    GLU  12           H        GLU  12   9.218  -5.448   3.042
  371    HA   GLU  12           HA       GLU  12   6.830  -6.717   3.834
  372    HB2  GLU  12           HB3      GLU  12   8.295  -4.358   5.017
  373    HB3  GLU  12           HB2      GLU  12   6.914  -5.125   5.789
  374    HG2  GLU  12           HG3      GLU  12   9.530  -6.458   5.125
  375    HG3  GLU  12           HG2      GLU  12   9.014  -5.917   6.722
  376    H    LEU  13           H        LEU  13   7.397  -3.278   3.200
  377    HA   LEU  13           HA       LEU  13   4.799  -2.368   3.420
  378    HB2  LEU  13           HB3      LEU  13   6.989  -1.358   1.613
  379    HB3  LEU  13           HB2      LEU  13   5.515  -0.482   1.983
  380    HG   LEU  13           HG       LEU  13   7.637  -1.264   3.985
  381   HD11  LEU  13          HD11      LEU  13   8.391   0.481   2.472
  382   HD12  LEU  13          HD12      LEU  13   8.098   1.135   4.083
  383   HD13  LEU  13          HD13      LEU  13   6.928   1.409   2.793
  384   HD21  LEU  13          HD21      LEU  13   6.373   0.192   5.520
  385   HD22  LEU  13          HD22      LEU  13   5.447  -1.220   5.016
  386   HD23  LEU  13          HD23      LEU  13   5.111   0.355   4.299
  387    H    LEU  14           H        LEU  14   6.404  -3.689   0.543
  388    HA   LEU  14           HA       LEU  14   4.299  -3.227  -1.250
  389    HB2  LEU  14           HB3      LEU  14   6.555  -3.750  -2.006
  390    HB3  LEU  14           HB2      LEU  14   6.448  -5.350  -1.310
  391    HG   LEU  14           HG       LEU  14   4.596  -5.859  -2.912
  392   HD11  LEU  14          HD11      LEU  14   3.825  -3.624  -3.387
  393   HD12  LEU  14          HD12      LEU  14   4.369  -4.390  -4.879
  394   HD13  LEU  14          HD13      LEU  14   5.390  -3.197  -4.077
  395   HD21  LEU  14          HD21      LEU  14   6.065  -6.140  -4.843
  396   HD22  LEU  14          HD22      LEU  14   6.887  -6.570  -3.343
  397   HD23  LEU  14          HD23      LEU  14   7.229  -5.026  -4.124
  398    H    SER  15           H        SER  15   5.062  -6.038   0.811
  399    HA   SER  15           HA       SER  15   2.957  -7.668  -0.085
  400    HB2  SER  15           HB3      SER  15   4.217  -7.584   2.665
  401    HB3  SER  15           HB2      SER  15   3.305  -8.930   1.979
  402    HG   SER  15           HG       SER  15   5.880  -8.001   1.353
  403    H    LYS  16           H        LYS  16   3.110  -5.193   2.423
  404    HA   LYS  16           HA       LYS  16   0.430  -5.544   3.327
  405    HB2  LYS  16           HB3      LYS  16   2.270  -4.421   4.615
  406    HB3  LYS  16           HB2      LYS  16   2.153  -3.065   3.505
  407    HG2  LYS  16           HG3      LYS  16   0.968  -2.573   5.543
  408    HG3  LYS  16           HG2      LYS  16  -0.175  -2.714   4.208
  409    HD2  LYS  16           HD3      LYS  16  -0.815  -4.918   4.912
  410    HD3  LYS  16           HD2      LYS  16   0.453  -4.943   6.139
  411    HE2  LYS  16           HE3      LYS  16  -1.901  -3.056   6.086
  412    HE3  LYS  16           HE2      LYS  16  -1.766  -4.494   7.098
  413    HZ1  LYS  16           HZ1      LYS  16   0.007  -2.114   7.203
  414    HZ2  LYS  16           HZ2      LYS  16   0.187  -3.502   8.148
  415    HZ3  LYS  16           HZ3      LYS  16  -1.178  -2.525   8.339
  416    H    ASN  17           H        ASN  17   2.010  -3.312   1.084
  417    HA   ASN  17           HA       ASN  17  -0.089  -1.741   0.234
  418    HB2  ASN  17           HB3      ASN  17   2.265  -1.458  -0.463
  419    HB3  ASN  17           HB2      ASN  17   2.153  -2.919  -1.429
  420   HD21  ASN  17          HD21      ASN  17   1.397   0.466  -1.280
  421   HD22  ASN  17          HD22      ASN  17   0.787   0.593  -2.888
  422    H    TYR  18           H        TYR  18   0.879  -4.931  -0.967
  423    HA   TYR  18           HA       TYR  18  -0.893  -5.202  -3.052
  424    HB2  TYR  18           HB3      TYR  18   0.950  -6.681  -2.815
  425    HB3  TYR  18           HB2      TYR  18   0.438  -7.174  -1.205
  426    HD1  TYR  18           HD1      TYR  18  -0.764  -9.105  -0.939
  427    HD2  TYR  18           HD2      TYR  18  -0.666  -7.248  -4.752
  428    HE1  TYR  18           HE1      TYR  18  -1.963 -11.006  -1.886
  429    HE2  TYR  18           HE2      TYR  18  -1.867  -9.144  -5.715
  430    HH   TYR  18           HH       TYR  18  -2.227 -11.555  -5.212
  431    H    HIS  19           H        HIS  19  -1.289  -6.230   0.351
  432    HA   HIS  19           HA       HIS  19  -3.864  -7.335  -0.087
  433    HB2  HIS  19           HB3      HIS  19  -2.476  -8.015   1.827
  434    HB3  HIS  19           HB2      HIS  19  -2.643  -6.404   2.521
  435    HD1  HIS  19           HD1      HIS  19  -4.087  -6.775   4.531
  436    HD2  HIS  19           HD2      HIS  19  -5.553  -8.713   1.160
  437    HE1  HIS  19           HE1      HIS  19  -6.335  -7.685   5.194
  438    HE2  HIS  19           HE2      HIS  19  -7.280  -8.674   3.079
  439    H    LEU  20           H        LEU  20  -2.758  -4.140   0.944
  440    HA   LEU  20           HA       LEU  20  -5.286  -3.089   1.600
  441    HB2  LEU  20           HB3      LEU  20  -2.908  -1.649   0.424
  442    HB3  LEU  20           HB2      LEU  20  -4.296  -0.884   1.167
  443    HG   LEU  20           HG       LEU  20  -2.356  -2.691   2.605
  444   HD11  LEU  20          HD11      LEU  20  -1.333  -0.589   1.932
  445   HD12  LEU  20          HD12      LEU  20  -1.576  -0.653   3.676
  446   HD13  LEU  20          HD13      LEU  20  -2.665   0.302   2.667
  447   HD21  LEU  20          HD21      LEU  20  -4.585  -2.769   3.572
  448   HD22  LEU  20          HD22      LEU  20  -4.641  -1.007   3.618
  449   HD23  LEU  20          HD23      LEU  20  -3.484  -1.879   4.623
  450    H    GLU  21           H        GLU  21  -3.464  -3.107  -1.434
  451    HA   GLU  21           HA       GLU  21  -5.288  -1.791  -3.074
  452    HB2  GLU  21           HB3      GLU  21  -2.868  -3.172  -3.380
  453    HB3  GLU  21           HB2      GLU  21  -3.996  -4.029  -4.416
  454    HG2  GLU  21           HG3      GLU  21  -3.382  -1.078  -4.546
  455    HG3  GLU  21           HG2      GLU  21  -2.761  -2.319  -5.627
  456    H    ASN  22           H        ASN  22  -5.129  -5.173  -2.089
  457    HA   ASN  22           HA       ASN  22  -7.251  -6.131  -3.681
  458    HB2  ASN  22           HB3      ASN  22  -6.224  -7.107  -1.009
  459    HB3  ASN  22           HB2      ASN  22  -7.407  -7.969  -1.982
  460   HD21  ASN  22          HD21      ASN  22  -6.099  -7.254  -4.509
  461   HD22  ASN  22          HD22      ASN  22  -4.681  -8.237  -4.595
  462    H    GLU  23           H        GLU  23  -7.205  -5.047  -0.282
  463    HA   GLU  23           HA       GLU  23  -9.937  -5.419   0.214
  464    HB2  GLU  23           HB3      GLU  23  -8.028  -3.446   1.480
  465    HB3  GLU  23           HB2      GLU  23  -9.617  -3.856   2.119
  466    HG2  GLU  23           HG3      GLU  23  -7.279  -5.729   1.796
  467    HG3  GLU  23           HG2      GLU  23  -7.879  -5.046   3.307
  468    H    VAL  24           H        VAL  24  -8.178  -2.623  -1.044
  469    HA   VAL  24           HA       VAL  24 -10.219  -0.749  -1.088
  470    HB   VAL  24           HB       VAL  24  -8.021  -1.156  -3.128
  471   HG11  VAL  24          HG11      VAL  24  -8.429   1.165  -3.799
  472   HG12  VAL  24          HG12      VAL  24  -9.812   1.238  -2.707
  473   HG13  VAL  24          HG13      VAL  24  -9.842   0.153  -4.096
  474   HG21  VAL  24          HG21      VAL  24  -6.943   0.711  -1.924
  475   HG22  VAL  24          HG22      VAL  24  -7.171  -0.712  -0.908
  476   HG23  VAL  24          HG23      VAL  24  -8.249   0.673  -0.740
  477    H    ALA  25           H        ALA  25  -9.296  -3.027  -3.675
  478    HA   ALA  25           HA       ALA  25 -11.394  -2.449  -5.431
  479    HB1  ALA  25           HB1      ALA  25  -9.917  -5.056  -5.109
  480    HB2  ALA  25           HB2      ALA  25  -9.392  -3.684  -6.083
  481    HB3  ALA  25           HB3      ALA  25 -10.860  -4.558  -6.514
  482    H    ARG  26           H        ARG  26 -11.178  -4.955  -2.910
  483    HA   ARG  26           HA       ARG  26 -13.570  -6.286  -3.418
  484    HB2  ARG  26           HB3      ARG  26 -12.282  -5.786  -0.727
  485    HB3  ARG  26           HB2      ARG  26 -13.479  -7.023  -1.074
  486    HG2  ARG  26           HG3      ARG  26 -11.927  -8.130  -2.578
  487    HG3  ARG  26           HG2      ARG  26 -10.736  -6.860  -2.290
  488    HD2  ARG  26           HD2      ARG  26 -10.182  -8.772  -0.938
  489    HD3  ARG  26           HD1      ARG  26 -10.733  -7.467   0.111
  490    HE   ARG  26           HE       ARG  26 -12.853  -9.237  -0.618
  491   HH11  ARG  26          HH11      ARG  26 -10.176  -8.767   1.608
  492   HH12  ARG  26          HH12      ARG  26 -10.811  -9.881   2.783
  493   HH21  ARG  26          HH21      ARG  26 -13.687 -10.681   0.949
  494   HH22  ARG  26          HH22      ARG  26 -12.804 -10.955   2.418
  495    H    LEU  27           H        LEU  27 -12.976  -3.735  -1.026
  496    HA   LEU  27           HA       LEU  27 -15.647  -3.440  -0.217
  497    HB2  LEU  27           HB3      LEU  27 -13.357  -1.478  -0.167
  498    HB3  LEU  27           HB2      LEU  27 -14.879  -1.232   0.666
  499    HG   LEU  27           HG       LEU  27 -13.027  -3.545   1.190
  500   HD11  LEU  27          HD11      LEU  27 -11.945  -1.461   1.796
  501   HD12  LEU  27          HD12      LEU  27 -12.407  -2.368   3.237
  502   HD13  LEU  27          HD13      LEU  27 -13.366  -0.979   2.722
  503   HD21  LEU  27          HD21      LEU  27 -15.429  -2.505   2.678
  504   HD22  LEU  27          HD22      LEU  27 -14.377  -3.809   3.224
  505   HD23  LEU  27          HD23      LEU  27 -15.340  -4.009   1.761
  506    H    LYS  28           H        LYS  28 -13.930  -2.094  -2.928
  507    HA   LYS  28           HA       LYS  28 -15.704   0.078  -3.409
  508    HB2  LYS  28           HB3      LYS  28 -13.292  -0.090  -4.125
  509    HB3  LYS  28           HB2      LYS  28 -13.816  -1.223  -5.358
  510    HG2  LYS  28           HG3      LYS  28 -15.170   0.474  -6.408
  511    HG3  LYS  28           HG2      LYS  28 -14.778   1.617  -5.120
  512    HD2  LYS  28           HD3      LYS  28 -12.691   0.329  -6.872
  513    HD3  LYS  28           HD2      LYS  28 -13.467   1.880  -7.267
  514    HE2  LYS  28           HE3      LYS  28 -12.001   1.349  -4.674
  515    HE3  LYS  28           HE2      LYS  28 -11.240   2.045  -6.103
  516    HZ1  LYS  28           HZ1      LYS  28 -12.803   3.873  -6.011
  517    HZ2  LYS  28           HZ2      LYS  28 -11.956   3.750  -4.554
  518    HZ3  LYS  28           HZ3      LYS  28 -13.552   3.208  -4.651
  519    H    LYS  29           H        LYS  29 -15.294  -3.146  -4.907
  520    HA   LYS  29           HA       LYS  29 -17.465  -2.864  -6.699
  521    HB2  LYS  29           HB3      LYS  29 -17.248  -5.213  -7.109
  522    HB3  LYS  29           HB2      LYS  29 -15.635  -4.534  -6.939
  523    HG2  LYS  29           HG3      LYS  29 -15.502  -5.376  -4.665
  524    HG3  LYS  29           HG2      LYS  29 -17.137  -6.027  -4.802
  525    HD2  LYS  29           HD3      LYS  29 -16.366  -7.428  -6.688
  526    HD3  LYS  29           HD2      LYS  29 -14.725  -6.846  -6.410
  527    HE2  LYS  29           HE3      LYS  29 -14.825  -7.745  -4.114
  528    HE3  LYS  29           HE2      LYS  29 -16.431  -8.383  -4.454
  529    HZ1  LYS  29           HZ1      LYS  29 -13.939  -9.144  -5.873
  530    HZ2  LYS  29           HZ2      LYS  29 -15.480  -9.774  -6.174
  531    HZ3  LYS  29           HZ3      LYS  29 -14.719 -10.071  -4.694
  532    H    LEU  30           H        LEU  30 -17.365  -3.348  -3.333
  533    HA   LEU  30           HA       LEU  30 -19.976  -4.605  -3.213
  534    HB2  LEU  30           HB3      LEU  30 -18.219  -3.517  -1.014
  535    HB3  LEU  30           HB2      LEU  30 -19.713  -4.400  -0.768
  536    HG   LEU  30           HG       LEU  30 -17.200  -5.503  -2.026
  537   HD11  LEU  30          HD11      LEU  30 -18.488  -6.061   0.640
  538   HD12  LEU  30          HD12      LEU  30 -17.008  -5.139   0.382
  539   HD13  LEU  30          HD13      LEU  30 -17.056  -6.857  -0.010
  540   HD21  LEU  30          HD21      LEU  30 -18.369  -7.660  -1.929
  541   HD22  LEU  30          HD22      LEU  30 -19.175  -6.518  -3.004
  542   HD23  LEU  30          HD23      LEU  30 -19.833  -6.833  -1.397
  543    H    VAL  31           H        VAL  31 -18.585  -1.519  -2.027
  544    HA   VAL  31           HA       VAL  31 -21.123  -0.442  -1.385
  545    HB   VAL  31           HB       VAL  31 -19.005   0.270  -0.323
  546   HG11  VAL  31          HG11      VAL  31 -17.560   0.374  -2.256
  547   HG12  VAL  31          HG12      VAL  31 -17.597   1.940  -1.444
  548   HG13  VAL  31          HG13      VAL  31 -18.515   1.694  -2.929
  549   HG21  VAL  31          HG21      VAL  31 -19.552   2.667  -0.227
  550   HG22  VAL  31          HG22      VAL  31 -20.970   1.632  -0.072
  551   HG23  VAL  31          HG23      VAL  31 -20.638   2.449  -1.599
  552    H    GLY  32           H        GLY  32 -19.206  -0.340  -4.342
  553    HA2  GLY  32           HA3      GLY  32 -21.124   1.582  -5.473
  554    HA3  GLY  32           HA2      GLY  32 -19.523   1.251  -6.116
  555    H    GLU  33           H        GLU  33 -22.436  -0.622  -5.297
  556    HA   GLU  33           HA       GLU  33 -22.744  -1.522  -8.004
  557    HB2  GLU  33           HB3      GLU  33 -20.898  -2.953  -6.755
  558    HB3  GLU  33           HB2      GLU  33 -22.290  -3.721  -6.018
  559    HG2  GLU  33           HG3      GLU  33 -21.706  -3.593  -8.972
  560    HG3  GLU  33           HG2      GLU  33 -21.464  -4.982  -7.922
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  19.779  -4.481  -5.799
    2    H2   GLY   1           H2       GLY   1  20.423  -4.181  -4.265
    3    H3   GLY   1           H3       GLY   1  21.367  -3.918  -5.641
    4    HA2  GLY   1           HA2      GLY   1  19.913  -2.139  -6.351
    5    HA3  GLY   1           HA3      GLY   1  18.908  -2.420  -4.936
    6    H    SER   2           H        SER   2  20.578  -0.085  -5.896
    7    HA   SER   2           HA       SER   2  22.684   0.206  -3.986
    8    HB2  SER   2           HB3      SER   2  21.275   2.318  -5.637
    9    HB3  SER   2           HB2      SER   2  22.822   2.505  -4.812
   10    HG   SER   2           HG       SER   2  23.369   0.517  -6.176
   11    H    MET   3           H        MET   3  22.718   1.898  -2.286
   12    HA   MET   3           HA       MET   3  20.673   1.378  -0.457
   13    HB2  MET   3           HB3      MET   3  22.778   3.533  -0.484
   14    HB3  MET   3           HB2      MET   3  21.678   3.291   0.864
   15    HG2  MET   3           HG3      MET   3  22.527   1.012   1.133
   16    HG3  MET   3           HG2      MET   3  23.645   1.280  -0.203
   17    HE1  MET   3           HE1      MET   3  25.932   1.214   3.003
   18    HE2  MET   3           HE2      MET   3  25.592   0.461   1.445
   19    HE3  MET   3           HE3      MET   3  24.442   0.298   2.772
   20    H    LYS   4           H        LYS   4  21.357   4.537  -2.022
   21    HA   LYS   4           HA       LYS   4  18.975   5.698  -1.074
   22    HB2  LYS   4           HB3      LYS   4  19.568   7.604  -2.212
   23    HB3  LYS   4           HB2      LYS   4  21.122   6.810  -2.069
   24    HG2  LYS   4           HG3      LYS   4  19.370   6.741  -4.514
   25    HG3  LYS   4           HG2      LYS   4  20.736   7.825  -4.276
   26    HD2  LYS   4           HD3      LYS   4  22.190   5.809  -4.040
   27    HD3  LYS   4           HD2      LYS   4  20.799   4.819  -4.484
   28    HE2  LYS   4           HE3      LYS   4  22.150   6.931  -6.158
   29    HE3  LYS   4           HE2      LYS   4  22.143   5.192  -6.443
   30    HZ1  LYS   4           HZ1      LYS   4  19.760   5.300  -6.832
   31    HZ2  LYS   4           HZ2      LYS   4  20.578   6.341  -7.879
   32    HZ3  LYS   4           HZ3      LYS   4  19.759   6.966  -6.538
   33    H    GLN   5           H        GLN   5  19.586   3.635  -3.751
   34    HA   GLN   5           HA       GLN   5  17.332   4.285  -5.343
   35    HB2  GLN   5           HB3      GLN   5  19.201   3.105  -6.310
   36    HB3  GLN   5           HB2      GLN   5  19.031   1.797  -5.151
   37    HG2  GLN   5           HG3      GLN   5  16.853   1.233  -6.136
   38    HG3  GLN   5           HG2      GLN   5  17.082   2.510  -7.330
   39   HE21  GLN   5          HE21      GLN   5  18.602   2.239  -8.953
   40   HE22  GLN   5          HE22      GLN   5  19.297   0.697  -9.321
   41    H    LEU   6           H        LEU   6  17.984   1.722  -2.981
   42    HA   LEU   6           HA       LEU   6  15.350   0.643  -3.082
   43    HB2  LEU   6           HB3      LEU   6  17.540   0.363  -1.023
   44    HB3  LEU   6           HB2      LEU   6  16.040  -0.539  -0.988
   45    HG   LEU   6           HG       LEU   6  18.036  -0.689  -3.252
   46   HD11  LEU   6          HD11      LEU   6  17.606  -2.556  -0.929
   47   HD12  LEU   6          HD12      LEU   6  19.031  -1.558  -1.220
   48   HD13  LEU   6          HD13      LEU   6  18.635  -2.873  -2.326
   49   HD21  LEU   6          HD21      LEU   6  15.627  -2.363  -2.563
   50   HD22  LEU   6          HD22      LEU   6  16.761  -2.688  -3.872
   51   HD23  LEU   6          HD23      LEU   6  15.763  -1.236  -3.912
   52    H    GLU   7           H        GLU   7  16.997   3.011  -1.094
   53    HA   GLU   7           HA       GLU   7  15.106   3.409   0.893
   54    HB2  GLU   7           HB3      GLU   7  17.400   4.391   0.813
   55    HB3  GLU   7           HB2      GLU   7  16.844   5.504  -0.427
   56    HG2  GLU   7           HG3      GLU   7  15.203   6.418   1.181
   57    HG3  GLU   7           HG2      GLU   7  15.900   5.354   2.424
   58    H    ASP   8           H        ASP   8  15.364   4.912  -2.318
   59    HA   ASP   8           HA       ASP   8  13.166   6.631  -2.132
   60    HB2  ASP   8           HB3      ASP   8  14.648   5.378  -4.395
   61    HB3  ASP   8           HB2      ASP   8  13.086   6.109  -4.743
   62    H    LYS   9           H        LYS   9  13.355   3.271  -3.176
   63    HA   LYS   9           HA       LYS   9  10.643   2.932  -3.910
   64    HB2  LYS   9           HB3      LYS   9  12.139   0.705  -2.560
   65    HB3  LYS   9           HB2      LYS   9  10.942   0.612  -3.836
   66    HG2  LYS   9           HG3      LYS   9  13.771   1.592  -4.150
   67    HG3  LYS   9           HG2      LYS   9  13.114   0.061  -4.725
   68    HD2  LYS   9           HD3      LYS   9  12.417   2.835  -5.692
   69    HD3  LYS   9           HD2      LYS   9  13.237   1.561  -6.584
   70    HE2  LYS   9           HE3      LYS   9  11.253   0.235  -6.666
   71    HE3  LYS   9           HE2      LYS   9  10.416   1.320  -5.557
   72    HZ1  LYS   9           HZ1      LYS   9   9.728   1.721  -7.817
   73    HZ2  LYS   9           HZ2      LYS   9  11.324   1.993  -8.300
   74    HZ3  LYS   9           HZ3      LYS   9  10.569   3.070  -7.228
   75    H    VAL  10           H        VAL  10  12.256   2.499  -0.812
   76    HA   VAL  10           HA       VAL  10  10.140   1.469   0.698
   77    HB   VAL  10           HB       VAL  10  12.326   3.356   1.611
   78   HG11  VAL  10          HG11      VAL  10  10.485   3.231   3.214
   79   HG12  VAL  10          HG12      VAL  10  11.930   2.439   3.840
   80   HG13  VAL  10          HG13      VAL  10  10.597   1.472   3.211
   81   HG21  VAL  10          HG21      VAL  10  12.209   0.347   1.520
   82   HG22  VAL  10          HG22      VAL  10  13.457   1.276   2.349
   83   HG23  VAL  10          HG23      VAL  10  13.284   1.397   0.598
   84    H    GLU  11           H        GLU  11  11.033   4.670  -0.282
   85    HA   GLU  11           HA       GLU  11   8.988   6.041   1.199
   86    HB2  GLU  11           HB3      GLU  11  10.660   6.941  -1.148
   87    HB3  GLU  11           HB2      GLU  11   9.576   7.987  -0.242
   88    HG2  GLU  11           HG3      GLU  11  12.003   6.568   0.832
   89    HG3  GLU  11           HG2      GLU  11  11.864   8.289   0.480
   90    H    GLU  12           H        GLU  12   9.339   5.215  -2.278
   91    HA   GLU  12           HA       GLU  12   6.949   6.311  -3.190
   92    HB2  GLU  12           HB3      GLU  12   8.343   3.811  -4.162
   93    HB3  GLU  12           HB2      GLU  12   7.098   4.677  -5.046
   94    HG2  GLU  12           HG3      GLU  12   8.569   6.645  -5.142
   95    HG3  GLU  12           HG2      GLU  12   9.823   5.717  -4.317
   96    H    LEU  13           H        LEU  13   7.506   2.888  -2.476
   97    HA   LEU  13           HA       LEU  13   4.920   1.975  -2.719
   98    HB2  LEU  13           HB3      LEU  13   7.117   0.974  -0.917
   99    HB3  LEU  13           HB2      LEU  13   5.638   0.094  -1.253
  100    HG   LEU  13           HG       LEU  13   7.684   0.882  -3.330
  101   HD11  LEU  13          HD11      LEU  13   8.589  -0.778  -1.818
  102   HD12  LEU  13          HD12      LEU  13   8.221  -1.514  -3.378
  103   HD13  LEU  13          HD13      LEU  13   7.144  -1.770  -2.006
  104   HD21  LEU  13          HD21      LEU  13   6.423  -0.658  -4.773
  105   HD22  LEU  13          HD22      LEU  13   5.447   0.715  -4.254
  106   HD23  LEU  13          HD23      LEU  13   5.227  -0.860  -3.493
  107    H    LEU  14           H        LEU  14   6.464   3.353   0.163
  108    HA   LEU  14           HA       LEU  14   4.303   2.820   1.895
  109    HB2  LEU  14           HB3      LEU  14   6.549   3.324   2.729
  110    HB3  LEU  14           HB2      LEU  14   6.436   4.950   2.096
  111    HG   LEU  14           HG       LEU  14   4.556   5.390   3.663
  112   HD11  LEU  14          HD11      LEU  14   4.242   3.823   5.546
  113   HD12  LEU  14          HD12      LEU  14   5.261   2.653   4.710
  114   HD13  LEU  14          HD13      LEU  14   3.726   3.154   4.001
  115   HD21  LEU  14          HD21      LEU  14   5.945   5.550   5.661
  116   HD22  LEU  14          HD22      LEU  14   6.838   6.035   4.221
  117   HD23  LEU  14          HD23      LEU  14   7.120   4.451   4.939
  118    H    SER  15           H        SER  15   5.152   5.649  -0.099
  119    HA   SER  15           HA       SER  15   3.012   7.284   0.683
  120    HB2  SER  15           HB3      SER  15   4.965   8.024  -0.683
  121    HB3  SER  15           HB2      SER  15   4.309   7.128  -2.051
  122    HG   SER  15           HG       SER  15   3.472   9.522  -0.906
  123    H    LYS  16           H        LYS  16   3.269   4.827  -1.856
  124    HA   LYS  16           HA       LYS  16   0.625   5.113  -2.827
  125    HB2  LYS  16           HB3      LYS  16   2.404   3.991  -4.107
  126    HB3  LYS  16           HB2      LYS  16   2.454   2.703  -2.913
  127    HG2  LYS  16           HG3      LYS  16   0.091   2.169  -3.470
  128    HG3  LYS  16           HG2      LYS  16   0.170   3.373  -4.757
  129    HD2  LYS  16           HD3      LYS  16   1.917   2.138  -5.868
  130    HD3  LYS  16           HD2      LYS  16   2.003   0.987  -4.533
  131    HE2  LYS  16           HE3      LYS  16   0.763   0.023  -6.372
  132    HE3  LYS  16           HE2      LYS  16  -0.314   0.300  -5.006
  133    HZ1  LYS  16           HZ1      LYS  16  -1.091   2.324  -6.095
  134    HZ2  LYS  16           HZ2      LYS  16  -1.343   0.971  -7.076
  135    HZ3  LYS  16           HZ3      LYS  16  -0.068   2.031  -7.410
  136    H    ASN  17           H        ASN  17   2.086   2.975  -0.405
  137    HA   ASN  17           HA       ASN  17  -0.092   1.370   0.194
  138    HB2  ASN  17           HB3      ASN  17   2.230   1.079   1.078
  139    HB3  ASN  17           HB2      ASN  17   1.952   2.437   2.158
  140   HD21  ASN  17          HD21      ASN  17   1.262  -0.930   1.560
  141   HD22  ASN  17          HD22      ASN  17   0.482  -1.224   3.066
  142    H    TYR  18           H        TYR  18   0.721   4.570   1.439
  143    HA   TYR  18           HA       TYR  18  -1.326   4.756   3.360
  144    HB2  TYR  18           HB3      TYR  18   0.173   6.872   1.823
  145    HB3  TYR  18           HB2      TYR  18  -1.080   7.287   2.986
  146    HD1  TYR  18           HD1      TYR  18  -0.537   5.305   5.134
  147    HD2  TYR  18           HD2      TYR  18   2.147   7.667   2.813
  148    HE1  TYR  18           HE1      TYR  18   1.108   5.218   6.950
  149    HE2  TYR  18           HE2      TYR  18   3.800   7.568   4.625
  150    HH   TYR  18           HH       TYR  18   3.474   5.454   7.304
  151    H    HIS  19           H        HIS  19  -1.268   5.493  -0.079
  152    HA   HIS  19           HA       HIS  19  -3.722   6.760  -0.374
  153    HB2  HIS  19           HB3      HIS  19  -2.111   6.532  -2.220
  154    HB3  HIS  19           HB2      HIS  19  -2.399   4.792  -2.263
  155    HD1  HIS  19           HD1      HIS  19  -3.883   8.055  -3.324
  156    HD2  HIS  19           HD2      HIS  19  -4.815   4.008  -3.453
  157    HE1  HIS  19           HE1      HIS  19  -5.832   7.856  -4.902
  158    HE2  HIS  19           HE2      HIS  19  -6.534   5.439  -4.735
  159    H    LEU  20           H        LEU  20  -2.987   3.292  -0.506
  160    HA   LEU  20           HA       LEU  20  -5.673   2.548  -1.027
  161    HB2  LEU  20           HB3      LEU  20  -3.317   0.934  -0.061
  162    HB3  LEU  20           HB2      LEU  20  -4.890   0.251  -0.381
  163    HG   LEU  20           HG       LEU  20  -3.435  -0.199  -2.231
  164   HD11  LEU  20          HD11      LEU  20  -5.786   0.168  -2.694
  165   HD12  LEU  20          HD12      LEU  20  -4.777   0.683  -4.044
  166   HD13  LEU  20          HD13      LEU  20  -5.474   1.883  -2.956
  167   HD21  LEU  20          HD21      LEU  20  -1.870   1.640  -2.009
  168   HD22  LEU  20          HD22      LEU  20  -3.118   2.773  -2.530
  169   HD23  LEU  20          HD23      LEU  20  -2.519   1.547  -3.646
  170    H    GLU  21           H        GLU  21  -3.715   2.713   1.930
  171    HA   GLU  21           HA       GLU  21  -5.495   1.511   3.700
  172    HB2  GLU  21           HB3      GLU  21  -3.636   3.842   4.182
  173    HB3  GLU  21           HB2      GLU  21  -4.490   2.996   5.457
  174    HG2  GLU  21           HG3      GLU  21  -3.300   0.910   4.751
  175    HG3  GLU  21           HG2      GLU  21  -2.338   1.911   3.662
  176    H    ASN  22           H        ASN  22  -5.363   4.848   2.554
  177    HA   ASN  22           HA       ASN  22  -7.392   5.867   4.224
  178    HB2  ASN  22           HB3      ASN  22  -6.431   6.817   1.521
  179    HB3  ASN  22           HB2      ASN  22  -7.534   7.720   2.552
  180   HD21  ASN  22          HD21      ASN  22  -6.174   6.942   5.018
  181   HD22  ASN  22          HD22      ASN  22  -4.705   7.851   5.056
  182    H    GLU  23           H        GLU  23  -7.487   4.546   0.929
  183    HA   GLU  23           HA       GLU  23 -10.262   5.040   0.592
  184    HB2  GLU  23           HB3      GLU  23  -8.471   3.104  -0.883
  185    HB3  GLU  23           HB2      GLU  23 -10.104   3.549  -1.372
  186    HG2  GLU  23           HG3      GLU  23  -9.160   5.974  -1.303
  187    HG3  GLU  23           HG2      GLU  23  -7.601   5.164  -1.433
  188    H    VAL  24           H        VAL  24  -8.418   2.185   1.633
  189    HA   VAL  24           HA       VAL  24 -10.487   0.349   1.825
  190    HB   VAL  24           HB       VAL  24  -8.072   0.695   3.612
  191   HG11  VAL  24          HG11      VAL  24 -10.022  -1.611   3.555
  192   HG12  VAL  24          HG12      VAL  24  -9.827  -0.457   4.874
  193   HG13  VAL  24          HG13      VAL  24  -8.512  -1.557   4.462
  194   HG21  VAL  24          HG21      VAL  24  -7.512   0.087   1.363
  195   HG22  VAL  24          HG22      VAL  24  -8.741  -1.178   1.351
  196   HG23  VAL  24          HG23      VAL  24  -7.322  -1.339   2.385
  197    H    ALA  25           H        ALA  25  -9.339   2.645   4.295
  198    HA   ALA  25           HA       ALA  25 -11.218   2.054   6.280
  199    HB1  ALA  25           HB1      ALA  25 -10.613   4.200   7.263
  200    HB2  ALA  25           HB2      ALA  25  -9.830   4.675   5.756
  201    HB3  ALA  25           HB3      ALA  25  -9.185   3.330   6.698
  202    H    ARG  26           H        ARG  26 -11.362   4.455   3.665
  203    HA   ARG  26           HA       ARG  26 -13.780   5.659   4.449
  204    HB2  ARG  26           HB3      ARG  26 -12.252   6.685   2.831
  205    HB3  ARG  26           HB2      ARG  26 -12.581   5.391   1.687
  206    HG2  ARG  26           HG3      ARG  26 -14.960   6.095   1.657
  207    HG3  ARG  26           HG2      ARG  26 -14.523   7.464   2.681
  208    HD2  ARG  26           HD2      ARG  26 -12.966   8.244   0.961
  209    HD3  ARG  26           HD1      ARG  26 -13.417   6.879  -0.059
  210    HE   ARG  26           HE       ARG  26 -15.659   8.473   0.739
  211   HH11  ARG  26          HH11      ARG  26 -13.063   8.164  -1.588
  212   HH12  ARG  26          HH12      ARG  26 -13.875   9.093  -2.808
  213   HH21  ARG  26          HH21      ARG  26 -16.733   9.694  -0.868
  214   HH22  ARG  26          HH22      ARG  26 -15.960   9.960  -2.396
  215    H    LEU  27           H        LEU  27 -13.117   3.165   2.006
  216    HA   LEU  27           HA       LEU  27 -15.785   2.713   1.274
  217    HB2  LEU  27           HB3      LEU  27 -13.444   0.808   1.181
  218    HB3  LEU  27           HB2      LEU  27 -14.960   0.589   0.329
  219    HG   LEU  27           HG       LEU  27 -13.054   2.873  -0.141
  220   HD11  LEU  27          HD11      LEU  27 -13.506   0.372  -1.751
  221   HD12  LEU  27          HD12      LEU  27 -12.063   0.761  -0.813
  222   HD13  LEU  27          HD13      LEU  27 -12.489   1.734  -2.220
  223   HD21  LEU  27          HD21      LEU  27 -15.521   1.977  -1.620
  224   HD22  LEU  27          HD22      LEU  27 -14.411   3.235  -2.163
  225   HD23  LEU  27          HD23      LEU  27 -15.338   3.458  -0.680
  226    H    LYS  28           H        LYS  28 -13.982   1.626   4.029
  227    HA   LYS  28           HA       LYS  28 -15.523  -0.668   4.647
  228    HB2  LYS  28           HB3      LYS  28 -13.203   0.393   5.610
  229    HB3  LYS  28           HB2      LYS  28 -14.320   0.833   6.893
  230    HG2  LYS  28           HG3      LYS  28 -13.329  -1.235   7.490
  231    HG3  LYS  28           HG2      LYS  28 -14.992  -1.579   7.012
  232    HD2  LYS  28           HD3      LYS  28 -14.248  -2.317   4.824
  233    HD3  LYS  28           HD2      LYS  28 -12.572  -1.880   5.226
  234    HE2  LYS  28           HE3      LYS  28 -12.837  -4.257   5.460
  235    HE3  LYS  28           HE2      LYS  28 -12.641  -3.547   7.060
  236    HZ1  LYS  28           HZ1      LYS  28 -15.044  -3.675   7.358
  237    HZ2  LYS  28           HZ2      LYS  28 -14.387  -5.201   7.052
  238    HZ3  LYS  28           HZ3      LYS  28 -15.211  -4.378   5.828
  239    H    LYS  29           H        LYS  29 -15.562   2.686   5.851
  240    HA   LYS  29           HA       LYS  29 -17.843   2.474   7.459
  241    HB2  LYS  29           HB3      LYS  29 -16.944   4.896   5.882
  242    HB3  LYS  29           HB2      LYS  29 -17.963   4.902   7.313
  243    HG2  LYS  29           HG3      LYS  29 -16.126   4.194   8.697
  244    HG3  LYS  29           HG2      LYS  29 -15.099   3.964   7.279
  245    HD2  LYS  29           HD3      LYS  29 -15.217   6.357   6.809
  246    HD3  LYS  29           HD2      LYS  29 -16.271   6.587   8.205
  247    HE2  LYS  29           HE3      LYS  29 -14.005   7.205   8.779
  248    HE3  LYS  29           HE2      LYS  29 -14.475   5.759   9.670
  249    HZ1  LYS  29           HZ1      LYS  29 -13.254   4.420   8.078
  250    HZ2  LYS  29           HZ2      LYS  29 -12.239   5.574   8.788
  251    HZ3  LYS  29           HZ3      LYS  29 -12.809   5.807   7.214
  252    H    LEU  30           H        LEU  30 -17.499   2.854   3.999
  253    HA   LEU  30           HA       LEU  30 -20.184   3.715   3.535
  254    HB2  LEU  30           HB3      LEU  30 -18.167   2.559   1.616
  255    HB3  LEU  30           HB2      LEU  30 -19.671   3.335   1.161
  256    HG   LEU  30           HG       LEU  30 -17.307   4.647   2.501
  257   HD11  LEU  30          HD11      LEU  30 -18.522   5.046  -0.229
  258   HD12  LEU  30          HD12      LEU  30 -17.021   4.188   0.114
  259   HD13  LEU  30          HD13      LEU  30 -17.141   5.916   0.439
  260   HD21  LEU  30          HD21      LEU  30 -18.592   6.735   2.245
  261   HD22  LEU  30          HD22      LEU  30 -19.342   5.608   3.373
  262   HD23  LEU  30          HD23      LEU  30 -19.992   5.788   1.744
  263    H    VAL  31           H        VAL  31 -18.514   0.586   3.017
  264    HA   VAL  31           HA       VAL  31 -20.840  -0.847   2.341
  265    HB   VAL  31           HB       VAL  31 -18.378  -1.925   3.730
  266   HG11  VAL  31          HG11      VAL  31 -20.245  -3.481   3.781
  267   HG12  VAL  31          HG12      VAL  31 -18.999  -4.050   2.671
  268   HG13  VAL  31          HG13      VAL  31 -20.465  -3.300   2.041
  269   HG21  VAL  31          HG21      VAL  31 -17.576  -2.468   1.473
  270   HG22  VAL  31          HG22      VAL  31 -17.763  -0.730   1.706
  271   HG23  VAL  31          HG23      VAL  31 -18.968  -1.631   0.787
  272    H    GLY  32           H        GLY  32 -19.497   0.086   5.450
  273    HA2  GLY  32           HA3      GLY  32 -21.154  -1.598   7.034
  274    HA3  GLY  32           HA2      GLY  32 -20.285  -0.176   7.590
  275    H    GLU  33           H        GLU  33 -21.248   1.928   7.096
  276    HA   GLU  33           HA       GLU  33 -22.939   3.386   7.473
  277    HB2  GLU  33           HB3      GLU  33 -24.075   1.605   5.326
  278    HB3  GLU  33           HB2      GLU  33 -24.947   3.022   5.898
  279    HG2  GLU  33           HG3      GLU  33 -22.156   3.078   4.771
  280    HG3  GLU  33           HG2      GLU  33 -23.617   3.399   3.839
  281    H1   GLY   1           H1       GLY   1  19.788   4.327   6.004
  282    H2   GLY   1           H2       GLY   1  20.417   3.997   4.470
  283    H3   GLY   1           H3       GLY   1  21.374   3.768   5.844
  284    HA2  GLY   1           HA2      GLY   1  19.948   1.995   6.604
  285    HA3  GLY   1           HA3      GLY   1  18.917   2.246   5.200
  286    H    SER   2           H        SER   2  20.618  -0.062   6.167
  287    HA   SER   2           HA       SER   2  22.705  -0.362   4.236
  288    HB2  SER   2           HB3      SER   2  21.345  -2.465   5.941
  289    HB3  SER   2           HB2      SER   2  22.890  -2.639   5.109
  290    HG   SER   2           HG       SER   2  23.457  -0.658   6.417
  291    H    MET   3           H        MET   3  22.733  -2.089   2.564
  292    HA   MET   3           HA       MET   3  20.659  -1.613   0.750
  293    HB2  MET   3           HB3      MET   3  22.788  -3.748   0.786
  294    HB3  MET   3           HB2      MET   3  21.667  -3.538  -0.551
  295    HG2  MET   3           HG3      MET   3  22.491  -1.255  -0.871
  296    HG3  MET   3           HG2      MET   3  23.628  -1.490   0.454
  297    HE1  MET   3           HE1      MET   3  25.875  -1.459  -2.787
  298    HE2  MET   3           HE2      MET   3  25.549  -0.678  -1.239
  299    HE3  MET   3           HE3      MET   3  24.381  -0.553  -2.555
  300    H    LYS   4           H        LYS   4  21.399  -4.738   2.359
  301    HA   LYS   4           HA       LYS   4  19.016  -5.941   1.467
  302    HB2  LYS   4           HB3      LYS   4  19.648  -7.820   2.630
  303    HB3  LYS   4           HB2      LYS   4  21.192  -7.012   2.446
  304    HG2  LYS   4           HG3      LYS   4  19.474  -6.911   4.916
  305    HG3  LYS   4           HG2      LYS   4  20.843  -7.990   4.677
  306    HD2  LYS   4           HD3      LYS   4  22.285  -5.970   4.383
  307    HD3  LYS   4           HD2      LYS   4  20.892  -4.981   4.832
  308    HE2  LYS   4           HE3      LYS   4  22.281  -7.055   6.524
  309    HE3  LYS   4           HE2      LYS   4  22.264  -5.311   6.777
  310    HZ1  LYS   4           HZ1      LYS   4  19.891  -5.427   7.205
  311    HZ2  LYS   4           HZ2      LYS   4  20.726  -6.451   8.253
  312    HZ3  LYS   4           HZ3      LYS   4  19.892  -7.094   6.933
  313    H    GLN   5           H        GLN   5  19.648  -3.823   4.098
  314    HA   GLN   5           HA       GLN   5  17.430  -4.475   5.736
  315    HB2  GLN   5           HB3      GLN   5  19.296  -3.254   6.656
  316    HB3  GLN   5           HB2      GLN   5  19.092  -1.969   5.477
  317    HG2  GLN   5           HG3      GLN   5  16.919  -1.419   6.481
  318    HG3  GLN   5           HG2      GLN   5  17.186  -2.671   7.696
  319   HE21  GLN   5          HE21      GLN   5  18.729  -2.353   9.285
  320   HE22  GLN   5          HE22      GLN   5  19.398  -0.793   9.622
  321    H    LEU   6           H        LEU   6  18.014  -1.947   3.321
  322    HA   LEU   6           HA       LEU   6  15.370  -0.894   3.444
  323    HB2  LEU   6           HB3      LEU   6  17.529  -0.624   1.351
  324    HB3  LEU   6           HB2      LEU   6  16.017   0.261   1.321
  325    HG   LEU   6           HG       LEU   6  18.039   0.469   3.558
  326   HD11  LEU   6          HD11      LEU   6  17.569   2.293   1.208
  327   HD12  LEU   6          HD12      LEU   6  19.005   1.313   1.502
  328   HD13  LEU   6          HD13      LEU   6  18.608   2.643   2.589
  329   HD21  LEU   6          HD21      LEU   6  15.605   2.108   2.870
  330   HD22  LEU   6          HD22      LEU   6  16.753   2.468   4.158
  331   HD23  LEU   6          HD23      LEU   6  15.771   1.007   4.237
  332    H    GLU   7           H        GLU   7  17.011  -3.277   1.467
  333    HA   GLU   7           HA       GLU   7  15.093  -3.727  -0.480
  334    HB2  GLU   7           HB3      GLU   7  17.398  -4.681  -0.423
  335    HB3  GLU   7           HB2      GLU   7  16.879  -5.778   0.845
  336    HG2  GLU   7           HG3      GLU   7  15.217  -6.732  -0.723
  337    HG3  GLU   7           HG2      GLU   7  15.903  -5.699  -1.998
  338    H    ASP   8           H        ASP   8  15.413  -5.167   2.755
  339    HA   ASP   8           HA       ASP   8  13.234  -6.921   2.621
  340    HB2  ASP   8           HB3      ASP   8  14.728  -5.617   4.847
  341    HB3  ASP   8           HB2      ASP   8  13.184  -6.372   5.225
  342    H    LYS   9           H        LYS   9  13.405  -3.543   3.605
  343    HA   LYS   9           HA       LYS   9  10.702  -3.221   4.382
  344    HB2  LYS   9           HB3      LYS   9  12.156  -1.000   2.973
  345    HB3  LYS   9           HB2      LYS   9  10.974  -0.899   4.263
  346    HG2  LYS   9           HG3      LYS   9  13.818  -1.842   4.555
  347    HG3  LYS   9           HG2      LYS   9  13.151  -0.309   5.114
  348    HD2  LYS   9           HD3      LYS   9  12.498  -3.077   6.133
  349    HD3  LYS   9           HD2      LYS   9  13.321  -1.781   6.994
  350    HE2  LYS   9           HE3      LYS   9  11.329  -0.472   7.088
  351    HE3  LYS   9           HE2      LYS   9  10.486  -1.572   6.000
  352    HZ1  LYS   9           HZ1      LYS   9   9.823  -1.944   8.274
  353    HZ2  LYS   9           HZ2      LYS   9  11.422  -2.217   8.737
  354    HZ3  LYS   9           HZ3      LYS   9  10.650  -3.303   7.687
  355    H    VAL  10           H        VAL  10  12.263  -2.819   1.257
  356    HA   VAL  10           HA       VAL  10  10.115  -1.839  -0.243
  357    HB   VAL  10           HB       VAL  10  12.310  -3.717  -1.159
  358   HG11  VAL  10          HG11      VAL  10  10.441  -3.633  -2.732
  359   HG12  VAL  10          HG12      VAL  10  11.869  -2.840  -3.395
  360   HG13  VAL  10          HG13      VAL  10  10.538  -1.874  -2.761
  361   HG21  VAL  10          HG21      VAL  10  12.158  -0.707  -1.113
  362   HG22  VAL  10          HG22      VAL  10  13.406  -1.635  -1.944
  363   HG23  VAL  10          HG23      VAL  10  13.258  -1.728  -0.189
  364    H    GLU  11           H        GLU  11  11.057  -5.011   0.780
  365    HA   GLU  11           HA       GLU  11   9.009  -6.430  -0.650
  366    HB2  GLU  11           HB3      GLU  11  10.719  -7.273   1.691
  367    HB3  GLU  11           HB2      GLU  11   9.638  -8.345   0.814
  368    HG2  GLU  11           HG3      GLU  11  12.031  -6.913  -0.316
  369    HG3  GLU  11           HG2      GLU  11  11.920  -8.630   0.071
  370    H    GLU  12           H        GLU  12   9.399  -5.546   2.807
  371    HA   GLU  12           HA       GLU  12   7.035  -6.649   3.770
  372    HB2  GLU  12           HB3      GLU  12   8.415  -4.119   4.681
  373    HB3  GLU  12           HB2      GLU  12   7.197  -4.990   5.597
  374    HG2  GLU  12           HG3      GLU  12   8.696  -6.937   5.693
  375    HG3  GLU  12           HG2      GLU  12   9.926  -6.004   4.837
  376    H    LEU  13           H        LEU  13   7.543  -3.234   2.992
  377    HA   LEU  13           HA       LEU  13   4.948  -2.348   3.256
  378    HB2  LEU  13           HB3      LEU  13   7.109  -1.353   1.407
  379    HB3  LEU  13           HB2      LEU  13   5.626  -0.483   1.752
  380    HG   LEU  13           HG       LEU  13   7.713  -1.215   3.808
  381   HD11  LEU  13          HD11      LEU  13   8.577   0.431   2.259
  382   HD12  LEU  13          HD12      LEU  13   8.222   1.189   3.810
  383   HD13  LEU  13          HD13      LEU  13   7.123   1.408   2.449
  384   HD21  LEU  13          HD21      LEU  13   6.461   0.336   5.247
  385   HD22  LEU  13          HD22      LEU  13   5.491  -1.055   4.767
  386   HD23  LEU  13          HD23      LEU  13   5.242   0.505   3.985
  387    H    LEU  14           H        LEU  14   6.470  -3.758   0.378
  388    HA   LEU  14           HA       LEU  14   4.278  -3.273  -1.333
  389    HB2  LEU  14           HB3      LEU  14   6.516  -3.768  -2.190
  390    HB3  LEU  14           HB2      LEU  14   6.432  -5.385  -1.530
  391    HG   LEU  14           HG       LEU  14   4.532  -5.870  -3.061
  392   HD11  LEU  14          HD11      LEU  14   4.176  -4.337  -4.966
  393   HD12  LEU  14          HD12      LEU  14   5.193  -3.143  -4.161
  394   HD13  LEU  14          HD13      LEU  14   3.674  -3.651  -3.424
  395   HD21  LEU  14          HD21      LEU  14   5.895  -6.053  -5.077
  396   HD22  LEU  14          HD22      LEU  14   6.815  -6.504  -3.642
  397   HD23  LEU  14          HD23      LEU  14   7.067  -4.928  -4.392
  398    H    SER  15           H        SER  15   5.186  -6.061   0.693
  399    HA   SER  15           HA       SER  15   3.054  -7.734  -0.030
  400    HB2  SER  15           HB3      SER  15   5.026  -8.436   1.321
  401    HB3  SER  15           HB2      SER  15   4.394  -7.513   2.680
  402    HG   SER  15           HG       SER  15   3.565  -9.944   1.629
  403    H    LYS  16           H        LYS  16   3.317  -5.234   2.467
  404    HA   LYS  16           HA       LYS  16   0.691  -5.529   3.483
  405    HB2  LYS  16           HB3      LYS  16   2.477  -4.367   4.718
  406    HB3  LYS  16           HB2      LYS  16   2.494  -3.097   3.501
  407    HG2  LYS  16           HG3      LYS  16   0.134  -2.583   4.084
  408    HG3  LYS  16           HG2      LYS  16   0.244  -3.763   5.391
  409    HD2  LYS  16           HD3      LYS  16   1.994  -2.486   6.456
  410    HD3  LYS  16           HD2      LYS  16   2.048  -1.359   5.100
  411    HE2  LYS  16           HE3      LYS  16   0.824  -0.373   6.941
  412    HE3  LYS  16           HE2      LYS  16  -0.269  -0.687   5.594
  413    HZ1  LYS  16           HZ1      LYS  16  -1.015  -2.692   6.728
  414    HZ2  LYS  16           HZ2      LYS  16  -1.259  -1.329   7.693
  415    HZ3  LYS  16           HZ3      LYS  16   0.028  -2.375   8.020
  416    H    ASN  17           H        ASN  17   2.094  -3.417   1.001
  417    HA   ASN  17           HA       ASN  17  -0.110  -1.846   0.408
  418    HB2  ASN  17           HB3      ASN  17   2.195  -1.543  -0.513
  419    HB3  ASN  17           HB2      ASN  17   1.916  -2.920  -1.569
  420   HD21  ASN  17          HD21      ASN  17   1.202   0.450  -1.013
  421   HD22  ASN  17          HD22      ASN  17   0.393   0.713  -2.510
  422    H    TYR  18           H        TYR  18   0.716  -5.057  -0.797
  423    HA   TYR  18           HA       TYR  18  -1.356  -5.301  -2.685
  424    HB2  TYR  18           HB3      TYR  18   0.193  -7.371  -1.133
  425    HB3  TYR  18           HB2      TYR  18  -1.074  -7.823  -2.265
  426    HD1  TYR  18           HD1      TYR  18  -0.597  -5.883  -4.458
  427    HD2  TYR  18           HD2      TYR  18   2.165  -8.156  -2.138
  428    HE1  TYR  18           HE1      TYR  18   1.016  -5.804  -6.302
  429    HE2  TYR  18           HE2      TYR  18   3.782  -8.063  -3.982
  430    HH   TYR  18           HH       TYR  18   3.394  -5.991  -6.670
  431    H    HIS  19           H        HIS  19  -1.235  -5.976   0.766
  432    HA   HIS  19           HA       HIS  19  -3.670  -7.269   1.121
  433    HB2  HIS  19           HB3      HIS  19  -2.038  -6.986   2.938
  434    HB3  HIS  19           HB2      HIS  19  -2.342  -5.250   2.953
  435    HD1  HIS  19           HD1      HIS  19  -3.786  -8.509   4.081
  436    HD2  HIS  19           HD2      HIS  19  -4.748  -4.469   4.173
  437    HE1  HIS  19           HE1      HIS  19  -5.710  -8.305   5.688
  438    HE2  HIS  19           HE2      HIS  19  -6.422  -5.892   5.522
  439    H    LEU  20           H        LEU  20  -2.975  -3.788   1.188
  440    HA   LEU  20           HA       LEU  20  -5.661  -3.064   1.730
  441    HB2  LEU  20           HB3      LEU  20  -3.333  -1.450   0.708
  442    HB3  LEU  20           HB2      LEU  20  -4.910  -0.773   1.026
  443    HG   LEU  20           HG       LEU  20  -3.455  -0.269   2.852
  444   HD11  LEU  20          HD11      LEU  20  -5.790  -0.679   3.357
  445   HD12  LEU  20          HD12      LEU  20  -4.749  -1.146   4.701
  446   HD13  LEU  20          HD13      LEU  20  -5.437  -2.380   3.646
  447   HD21  LEU  20          HD21      LEU  20  -1.859  -2.077   2.645
  448   HD22  LEU  20          HD22      LEU  20  -3.077  -3.223   3.205
  449   HD23  LEU  20          HD23      LEU  20  -2.491  -1.958   4.286
  450    H    GLU  21           H        GLU  21  -3.747  -3.262  -1.253
  451    HA   GLU  21           HA       GLU  21  -5.578  -2.115  -3.012
  452    HB2  GLU  21           HB3      GLU  21  -3.686  -4.422  -3.495
  453    HB3  GLU  21           HB2      GLU  21  -4.570  -3.596  -4.764
  454    HG2  GLU  21           HG3      GLU  21  -3.397  -1.490  -4.093
  455    HG3  GLU  21           HG2      GLU  21  -2.406  -2.468  -3.010
  456    H    ASN  22           H        ASN  22  -5.368  -5.430  -1.830
  457    HA   ASN  22           HA       ASN  22  -7.417  -6.497  -3.442
  458    HB2  ASN  22           HB3      ASN  22  -6.409  -7.387  -0.736
  459    HB3  ASN  22           HB2      ASN  22  -7.515  -8.319  -1.736
  460   HD21  ASN  22          HD21      ASN  22  -6.188  -7.558  -4.232
  461   HD22  ASN  22          HD22      ASN  22  -4.707  -8.447  -4.268
  462    H    GLU  23           H        GLU  23  -7.477  -5.111  -0.171
  463    HA   GLU  23           HA       GLU  23 -10.242  -5.635   0.221
  464    HB2  GLU  23           HB3      GLU  23  -8.448  -3.653   1.631
  465    HB3  GLU  23           HB2      GLU  23 -10.066  -4.103   2.153
  466    HG2  GLU  23           HG3      GLU  23  -9.100  -6.520   2.121
  467    HG3  GLU  23           HG2      GLU  23  -7.546  -5.693   2.208
  468    H    VAL  24           H        VAL  24  -8.442  -2.777  -0.894
  469    HA   VAL  24           HA       VAL  24 -10.532  -0.968  -1.086
  470    HB   VAL  24           HB       VAL  24  -8.143  -1.314  -2.903
  471   HG11  VAL  24          HG11      VAL  24 -10.119   0.970  -2.853
  472   HG12  VAL  24          HG12      VAL  24  -9.933  -0.202  -4.157
  473   HG13  VAL  24          HG13      VAL  24  -8.622   0.918  -3.784
  474   HG21  VAL  24          HG21      VAL  24  -7.558  -0.662  -0.671
  475   HG22  VAL  24          HG22      VAL  24  -8.799   0.590  -0.664
  476   HG23  VAL  24          HG23      VAL  24  -7.396   0.746  -1.720
  477    H    ALA  25           H        ALA  25  -9.398  -3.292  -3.534
  478    HA   ALA  25           HA       ALA  25 -11.314  -2.760  -5.499
  479    HB1  ALA  25           HB1      ALA  25 -10.694  -4.910  -6.456
  480    HB2  ALA  25           HB2      ALA  25  -9.886  -5.355  -4.954
  481    HB3  ALA  25           HB3      ALA  25  -9.271  -4.017  -5.924
  482    H    ARG  26           H        ARG  26 -11.398  -5.111  -2.839
  483    HA   ARG  26           HA       ARG  26 -13.812  -6.357  -3.574
  484    HB2  ARG  26           HB3      ARG  26 -12.247  -7.339  -1.959
  485    HB3  ARG  26           HB2      ARG  26 -12.577  -6.030  -0.834
  486    HG2  ARG  26           HG3      ARG  26 -14.946  -6.761  -0.759
  487    HG3  ARG  26           HG2      ARG  26 -14.508  -8.143  -1.765
  488    HD2  ARG  26           HD2      ARG  26 -12.918  -8.874  -0.049
  489    HD3  ARG  26           HD1      ARG  26 -13.373  -7.499   0.954
  490    HE   ARG  26           HE       ARG  26 -15.611  -9.132   0.213
  491   HH11  ARG  26          HH11      ARG  26 -12.985  -8.762   2.497
  492   HH12  ARG  26          HH12      ARG  26 -13.765  -9.684   3.741
  493   HH21  ARG  26          HH21      ARG  26 -16.650 -10.336   1.849
  494   HH22  ARG  26          HH22      ARG  26 -15.855 -10.576   3.370
  495    H    LEU  27           H        LEU  27 -13.139  -3.821  -1.176
  496    HA   LEU  27           HA       LEU  27 -15.798  -3.376  -0.415
  497    HB2  LEU  27           HB3      LEU  27 -13.467  -1.453  -0.392
  498    HB3  LEU  27           HB2      LEU  27 -14.975  -1.226   0.475
  499    HG   LEU  27           HG       LEU  27 -13.046  -3.487   0.961
  500   HD11  LEU  27          HD11      LEU  27 -13.507  -0.962   2.532
  501   HD12  LEU  27          HD12      LEU  27 -12.074  -1.349   1.580
  502   HD13  LEU  27          HD13      LEU  27 -12.465  -2.303   3.010
  503   HD21  LEU  27          HD21      LEU  27 -15.504  -2.588   2.456
  504   HD22  LEU  27          HD22      LEU  27 -14.373  -3.825   3.007
  505   HD23  LEU  27          HD23      LEU  27 -15.317  -4.085   1.541
  506    H    LYS  28           H        LYS  28 -14.048  -2.322  -3.215
  507    HA   LYS  28           HA       LYS  28 -15.621  -0.052  -3.845
  508    HB2  LYS  28           HB3      LYS  28 -13.306  -1.109  -4.827
  509    HB3  LYS  28           HB2      LYS  28 -14.438  -1.579  -6.086
  510    HG2  LYS  28           HG3      LYS  28 -13.474   0.489  -6.729
  511    HG3  LYS  28           HG2      LYS  28 -15.135   0.822  -6.235
  512    HD2  LYS  28           HD3      LYS  28 -14.372   1.604  -4.070
  513    HD3  LYS  28           HD2      LYS  28 -12.696   1.179  -4.485
  514    HE2  LYS  28           HE3      LYS  28 -12.989   3.548  -4.757
  515    HE3  LYS  28           HE2      LYS  28 -12.809   2.812  -6.350
  516    HZ1  LYS  28           HZ1      LYS  28 -15.211   2.910  -6.628
  517    HZ2  LYS  28           HZ2      LYS  28 -14.579   4.451  -6.335
  518    HZ3  LYS  28           HZ3      LYS  28 -15.380   3.621  -5.104
  519    H    LYS  29           H        LYS  29 -15.648  -3.426  -4.995
  520    HA   LYS  29           HA       LYS  29 -17.952  -3.263  -6.576
  521    HB2  LYS  29           HB3      LYS  29 -17.004  -5.649  -4.969
  522    HB3  LYS  29           HB2      LYS  29 -18.047  -5.691  -6.380
  523    HG2  LYS  29           HG3      LYS  29 -16.243  -4.990  -7.808
  524    HG3  LYS  29           HG2      LYS  29 -15.194  -4.723  -6.413
  525    HD2  LYS  29           HD3      LYS  29 -15.276  -7.110  -5.900
  526    HD3  LYS  29           HD2      LYS  29 -16.348  -7.376  -7.275
  527    HE2  LYS  29           HE3      LYS  29 -14.087  -7.978  -7.876
  528    HE3  LYS  29           HE2      LYS  29 -14.582  -6.548  -8.778
  529    HZ1  LYS  29           HZ1      LYS  29 -13.354  -5.178  -7.212
  530    HZ2  LYS  29           HZ2      LYS  29 -12.338  -6.324  -7.929
  531    HZ3  LYS  29           HZ3      LYS  29 -12.884  -6.554  -6.346
  532    H    LEU  30           H        LEU  30 -17.556  -3.595  -3.113
  533    HA   LEU  30           HA       LEU  30 -20.224  -4.467  -2.595
  534    HB2  LEU  30           HB3      LEU  30 -18.190  -3.256  -0.728
  535    HB3  LEU  30           HB2      LEU  30 -19.679  -4.041  -0.236
  536    HG   LEU  30           HG       LEU  30 -17.320  -5.349  -1.590
  537   HD11  LEU  30          HD11      LEU  30 -18.489  -5.714   1.164
  538   HD12  LEU  30          HD12      LEU  30 -17.003  -4.845   0.785
  539   HD13  LEU  30          HD13      LEU  30 -17.109  -6.580   0.490
  540   HD21  LEU  30          HD21      LEU  30 -18.576  -7.446  -1.281
  541   HD22  LEU  30          HD22      LEU  30 -19.355  -6.347  -2.415
  542   HD23  LEU  30          HD23      LEU  30 -19.979  -6.506  -0.774
  543    H    VAL  31           H        VAL  31 -18.581  -1.312  -2.155
  544    HA   VAL  31           HA       VAL  31 -20.913   0.107  -1.470
  545    HB   VAL  31           HB       VAL  31 -18.483   1.189  -2.911
  546   HG11  VAL  31          HG11      VAL  31 -20.368   2.727  -2.962
  547   HG12  VAL  31          HG12      VAL  31 -19.111   3.327  -1.880
  548   HG13  VAL  31          HG13      VAL  31 -20.560   2.574  -1.215
  549   HG21  VAL  31          HG21      VAL  31 -17.655   1.779  -0.675
  550   HG22  VAL  31          HG22      VAL  31 -17.824   0.036  -0.877
  551   HG23  VAL  31          HG23      VAL  31 -19.026   0.938   0.045
  552    H    GLY  32           H        GLY  32 -19.600  -0.862  -4.586
  553    HA2  GLY  32           HA3      GLY  32 -21.298   0.778  -6.172
  554    HA3  GLY  32           HA2      GLY  32 -20.424  -0.646  -6.717
  555    H    GLU  33           H        GLU  33 -21.353  -2.747  -6.176
  556    HA   GLU  33           HA       GLU  33 -23.028  -4.237  -6.491
  557    HB2  GLU  33           HB3      GLU  33 -24.160  -2.425  -4.369
  558    HB3  GLU  33           HB2      GLU  33 -25.023  -3.863  -4.902
  559    HG2  GLU  33           HG3      GLU  33 -22.218  -3.867  -3.808
  560    HG3  GLU  33           HG2      GLU  33 -23.664  -4.184  -2.852
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  19.993  -4.457  -5.755
    2    H2   GLY   1           H2       GLY   1  20.313  -4.121  -4.128
    3    H3   GLY   1           H3       GLY   1  21.549  -4.006  -5.272
    4    HA2  GLY   1           HA2      GLY   1  20.436  -2.164  -6.351
    5    HA3  GLY   1           HA3      GLY   1  19.136  -2.288  -5.173
    6    H    SER   2           H        SER   2  20.829  -0.000  -5.694
    7    HA   SER   2           HA       SER   2  22.675   0.171  -3.482
    8    HB2  SER   2           HB3      SER   2  23.027   2.482  -4.283
    9    HB3  SER   2           HB2      SER   2  23.182   1.310  -5.594
   10    HG   SER   2           HG       SER   2  21.685   2.403  -6.563
   11    H    MET   3           H        MET   3  22.498   2.199  -2.038
   12    HA   MET   3           HA       MET   3  20.226   2.040  -0.446
   13    HB2  MET   3           HB3      MET   3  22.193   4.316  -0.746
   14    HB3  MET   3           HB2      MET   3  20.968   4.239   0.509
   15    HG2  MET   3           HG3      MET   3  22.991   3.531   1.479
   16    HG3  MET   3           HG2      MET   3  22.003   2.092   1.262
   17    HE1  MET   3           HE1      MET   3  24.255   0.669   1.715
   18    HE2  MET   3           HE2      MET   3  25.170   2.171   1.846
   19    HE3  MET   3           HE3      MET   3  25.733   0.887   0.777
   20    H    LYS   4           H        LYS   4  21.057   4.426  -2.933
   21    HA   LYS   4           HA       LYS   4  18.781   6.044  -2.625
   22    HB2  LYS   4           HB3      LYS   4  20.629   5.617  -4.969
   23    HB3  LYS   4           HB2      LYS   4  19.301   6.763  -5.015
   24    HG2  LYS   4           HG3      LYS   4  21.259   7.985  -4.511
   25    HG3  LYS   4           HG2      LYS   4  20.323   7.888  -3.020
   26    HD2  LYS   4           HD3      LYS   4  21.755   6.121  -2.196
   27    HD3  LYS   4           HD2      LYS   4  22.636   6.084  -3.726
   28    HE2  LYS   4           HE3      LYS   4  23.394   8.372  -3.345
   29    HE3  LYS   4           HE2      LYS   4  22.501   8.421  -1.827
   30    HZ1  LYS   4           HZ1      LYS   4  24.721   6.543  -2.431
   31    HZ2  LYS   4           HZ2      LYS   4  23.902   6.686  -0.958
   32    HZ3  LYS   4           HZ3      LYS   4  24.866   7.957  -1.513
   33    H    GLN   5           H        GLN   5  19.430   3.337  -4.822
   34    HA   GLN   5           HA       GLN   5  17.044   3.499  -6.287
   35    HB2  GLN   5           HB3      GLN   5  19.000   2.185  -7.004
   36    HB3  GLN   5           HB2      GLN   5  18.722   1.058  -5.684
   37    HG2  GLN   5           HG3      GLN   5  17.890   0.149  -7.762
   38    HG3  GLN   5           HG2      GLN   5  16.556   0.461  -6.651
   39   HE21  GLN   5          HE21      GLN   5  15.116   2.141  -7.097
   40   HE22  GLN   5          HE22      GLN   5  15.020   2.869  -8.664
   41    H    LEU   6           H        LEU   6  17.868   1.698  -3.365
   42    HA   LEU   6           HA       LEU   6  15.310   0.408  -3.221
   43    HB2  LEU   6           HB3      LEU   6  17.466   0.694  -1.125
   44    HB3  LEU   6           HB2      LEU   6  16.046  -0.319  -0.971
   45    HG   LEU   6           HG       LEU   6  18.224  -0.682  -3.037
   46   HD11  LEU   6          HD11      LEU   6  18.945  -1.205  -0.745
   47   HD12  LEU   6          HD12      LEU   6  18.862  -2.632  -1.776
   48   HD13  LEU   6          HD13      LEU   6  17.590  -2.325  -0.597
   49   HD21  LEU   6          HD21      LEU   6  16.076  -1.430  -3.867
   50   HD22  LEU   6          HD22      LEU   6  15.801  -2.350  -2.389
   51   HD23  LEU   6          HD23      LEU   6  17.098  -2.814  -3.490
   52    H    GLU   7           H        GLU   7  16.735   3.319  -1.921
   53    HA   GLU   7           HA       GLU   7  14.891   4.005   0.034
   54    HB2  GLU   7           HB3      GLU   7  17.089   5.131  -0.543
   55    HB3  GLU   7           HB2      GLU   7  16.247   5.921  -1.867
   56    HG2  GLU   7           HG3      GLU   7  16.253   7.497  -0.161
   57    HG3  GLU   7           HG2      GLU   7  14.631   6.769  -0.105
   58    H    ASP   8           H        ASP   8  14.904   4.711  -3.446
   59    HA   ASP   8           HA       ASP   8  12.566   6.223  -3.601
   60    HB2  ASP   8           HB3      ASP   8  13.880   4.393  -5.607
   61    HB3  ASP   8           HB2      ASP   8  12.442   5.328  -5.991
   62    H    LYS   9           H        LYS   9  12.996   2.740  -4.005
   63    HA   LYS   9           HA       LYS   9  10.339   1.959  -4.316
   64    HB2  LYS   9           HB3      LYS   9  12.172   0.416  -2.494
   65    HB3  LYS   9           HB2      LYS   9  10.899  -0.191  -3.544
   66    HG2  LYS   9           HG3      LYS   9  12.215   0.425  -5.523
   67    HG3  LYS   9           HG2      LYS   9  13.527   0.950  -4.467
   68    HD2  LYS   9           HD3      LYS   9  13.868  -1.259  -3.661
   69    HD3  LYS   9           HD2      LYS   9  12.381  -1.832  -4.416
   70    HE2  LYS   9           HE3      LYS   9  14.797  -0.801  -5.899
   71    HE3  LYS   9           HE2      LYS   9  14.407  -2.503  -5.658
   72    HZ1  LYS   9           HZ1      LYS   9  13.678  -1.759  -7.825
   73    HZ2  LYS   9           HZ2      LYS   9  12.749  -0.529  -7.135
   74    HZ3  LYS   9           HZ3      LYS   9  12.333  -2.146  -6.874
   75    H    VAL  10           H        VAL  10  12.120   2.299  -1.278
   76    HA   VAL  10           HA       VAL  10  10.169   1.438   0.502
   77    HB   VAL  10           HB       VAL  10  12.289   3.548   0.952
   78   HG11  VAL  10          HG11      VAL  10  12.033   3.033   3.332
   79   HG12  VAL  10          HG12      VAL  10  10.704   1.939   2.953
   80   HG13  VAL  10          HG13      VAL  10  10.536   3.668   2.649
   81   HG21  VAL  10          HG21      VAL  10  13.263   1.455   0.258
   82   HG22  VAL  10          HG22      VAL  10  12.285   0.571   1.428
   83   HG23  VAL  10          HG23      VAL  10  13.540   1.677   1.985
   84    H    GLU  11           H        GLU  11  10.882   4.640  -0.756
   85    HA   GLU  11           HA       GLU  11   8.783   5.897   0.766
   86    HB2  GLU  11           HB3      GLU  11   9.293   7.937  -0.526
   87    HB3  GLU  11           HB2      GLU  11  10.710   7.220   0.221
   88    HG2  GLU  11           HG3      GLU  11  11.373   6.269  -1.909
   89    HG3  GLU  11           HG2      GLU  11   9.926   6.932  -2.668
   90    H    GLU  12           H        GLU  12   9.063   4.904  -2.660
   91    HA   GLU  12           HA       GLU  12   6.652   6.032  -3.545
   92    HB2  GLU  12           HB3      GLU  12   8.387   5.143  -5.037
   93    HB3  GLU  12           HB2      GLU  12   8.043   3.514  -4.477
   94    HG2  GLU  12           HG3      GLU  12   5.818   3.630  -5.439
   95    HG3  GLU  12           HG2      GLU  12   6.119   5.289  -5.960
   96    H    LEU  13           H        LEU  13   7.307   2.733  -2.471
   97    HA   LEU  13           HA       LEU  13   4.691   1.776  -2.501
   98    HB2  LEU  13           HB3      LEU  13   6.996   0.950  -0.742
   99    HB3  LEU  13           HB2      LEU  13   5.526   0.025  -0.974
  100    HG   LEU  13           HG       LEU  13   7.476   0.707  -3.175
  101   HD11  LEU  13          HD11      LEU  13   8.089  -1.677  -3.055
  102   HD12  LEU  13          HD12      LEU  13   7.106  -1.832  -1.599
  103   HD13  LEU  13          HD13      LEU  13   8.522  -0.783  -1.599
  104   HD21  LEU  13          HD21      LEU  13   5.212   0.382  -3.985
  105   HD22  LEU  13          HD22      LEU  13   5.089  -1.135  -3.096
  106   HD23  LEU  13          HD23      LEU  13   6.224  -0.990  -4.438
  107    H    LEU  14           H        LEU  14   6.500   3.260   0.190
  108    HA   LEU  14           HA       LEU  14   4.545   2.854   2.142
  109    HB2  LEU  14           HB3      LEU  14   6.837   3.383   2.724
  110    HB3  LEU  14           HB2      LEU  14   6.698   4.964   1.989
  111    HG   LEU  14           HG       LEU  14   4.993   5.561   3.705
  112   HD11  LEU  14          HD11      LEU  14   4.183   3.361   4.284
  113   HD12  LEU  14          HD12      LEU  14   4.845   4.145   5.718
  114   HD13  LEU  14          HD13      LEU  14   5.776   2.901   4.886
  115   HD21  LEU  14          HD21      LEU  14   6.595   5.826   5.529
  116   HD22  LEU  14          HD22      LEU  14   7.326   6.202   3.969
  117   HD23  LEU  14          HD23      LEU  14   7.669   4.662   4.756
  118    H    SER  15           H        SER  15   5.116   5.696   0.023
  119    HA   SER  15           HA       SER  15   3.027   7.235   1.109
  120    HB2  SER  15           HB3      SER  15   3.084   8.397  -1.168
  121    HB3  SER  15           HB2      SER  15   4.588   8.383  -0.249
  122    HG   SER  15           HG       SER  15   5.413   6.864  -1.589
  123    H    LYS  16           H        LYS  16   3.068   4.752  -1.385
  124    HA   LYS  16           HA       LYS  16   0.334   5.059  -2.125
  125    HB2  LYS  16           HB3      LYS  16   2.069   3.919  -3.523
  126    HB3  LYS  16           HB2      LYS  16   2.056   2.589  -2.376
  127    HG2  LYS  16           HG3      LYS  16   0.709   2.052  -4.308
  128    HG3  LYS  16           HG2      LYS  16  -0.305   2.191  -2.870
  129    HD2  LYS  16           HD3      LYS  16  -1.050   4.378  -3.538
  130    HD3  LYS  16           HD2      LYS  16   0.100   4.412  -4.874
  131    HE2  LYS  16           HE3      LYS  16  -1.091   2.512  -5.908
  132    HE3  LYS  16           HE2      LYS  16  -2.266   2.556  -4.596
  133    HZ1  LYS  16           HZ1      LYS  16  -2.853   4.808  -5.256
  134    HZ2  LYS  16           HZ2      LYS  16  -3.092   3.718  -6.527
  135    HZ3  LYS  16           HZ3      LYS  16  -1.747   4.742  -6.532
  136    H    ASN  17           H        ASN  17   2.064   2.958   0.136
  137    HA   ASN  17           HA       ASN  17   0.031   1.399   1.144
  138    HB2  ASN  17           HB3      ASN  17   2.296   1.053   1.872
  139    HB3  ASN  17           HB2      ASN  17   2.397   2.680   2.523
  140   HD21  ASN  17          HD21      ASN  17   1.237  -0.564   3.098
  141   HD22  ASN  17          HD22      ASN  17   0.810  -0.316   4.750
  142    H    TYR  18           H        TYR  18   0.896   4.700   2.058
  143    HA   TYR  18           HA       TYR  18  -0.992   4.993   4.134
  144    HB2  TYR  18           HB3      TYR  18   0.319   7.049   2.348
  145    HB3  TYR  18           HB2      TYR  18  -0.767   7.482   3.660
  146    HD1  TYR  18           HD1      TYR  18   0.100   5.556   5.758
  147    HD2  TYR  18           HD2      TYR  18   2.384   7.911   3.033
  148    HE1  TYR  18           HE1      TYR  18   1.990   5.534   7.320
  149    HE2  TYR  18           HE2      TYR  18   4.278   7.878   4.591
  150    HH   TYR  18           HH       TYR  18   4.423   5.794   7.274
  151    H    HIS  19           H        HIS  19  -1.136   5.809   0.698
  152    HA   HIS  19           HA       HIS  19  -3.703   6.952   0.728
  153    HB2  HIS  19           HB3      HIS  19  -2.114   5.672  -1.495
  154    HB3  HIS  19           HB2      HIS  19  -3.671   6.448  -1.756
  155    HD1  HIS  19           HD1      HIS  19  -0.369   7.216  -2.337
  156    HD2  HIS  19           HD2      HIS  19  -3.371   9.232  -0.293
  157    HE1  HIS  19           HE1      HIS  19   0.352   9.619  -2.275
  158    HE2  HIS  19           HE2      HIS  19  -1.390  10.781  -0.881
  159    H    LEU  20           H        LEU  20  -2.669   3.641  -0.111
  160    HA   LEU  20           HA       LEU  20  -5.215   2.660  -0.751
  161    HB2  LEU  20           HB3      LEU  20  -2.857   1.162   0.382
  162    HB3  LEU  20           HB2      LEU  20  -4.276   0.425  -0.328
  163    HG   LEU  20           HG       LEU  20  -2.379   2.227  -1.824
  164   HD11  LEU  20          HD11      LEU  20  -1.609   0.184  -2.915
  165   HD12  LEU  20          HD12      LEU  20  -2.644  -0.776  -1.857
  166   HD13  LEU  20          HD13      LEU  20  -1.297   0.139  -1.180
  167   HD21  LEU  20          HD21      LEU  20  -4.596   2.293  -2.754
  168   HD22  LEU  20          HD22      LEU  20  -4.715   0.534  -2.696
  169   HD23  LEU  20          HD23      LEU  20  -3.571   1.305  -3.793
  170    H    GLU  21           H        GLU  21  -3.470   2.694   2.331
  171    HA   GLU  21           HA       GLU  21  -5.338   1.227   3.826
  172    HB2  GLU  21           HB3      GLU  21  -2.914   2.562   4.306
  173    HB3  GLU  21           HB2      GLU  21  -4.076   3.309   5.392
  174    HG2  GLU  21           HG3      GLU  21  -3.387   0.379   5.228
  175    HG3  GLU  21           HG2      GLU  21  -2.942   1.506   6.506
  176    H    ASN  22           H        ASN  22  -5.152   4.647   3.020
  177    HA   ASN  22           HA       ASN  22  -7.315   5.431   4.709
  178    HB2  ASN  22           HB3      ASN  22  -5.996   6.794   2.359
  179    HB3  ASN  22           HB2      ASN  22  -7.290   7.528   3.299
  180   HD21  ASN  22          HD21      ASN  22  -6.359   6.370   5.815
  181   HD22  ASN  22          HD22      ASN  22  -4.952   7.270   6.257
  182    H    GLU  23           H        GLU  23  -7.028   4.664   1.249
  183    HA   GLU  23           HA       GLU  23  -9.688   5.051   0.510
  184    HB2  GLU  23           HB3      GLU  23  -7.427   3.464  -0.516
  185    HB3  GLU  23           HB2      GLU  23  -9.010   2.842  -0.951
  186    HG2  GLU  23           HG3      GLU  23  -8.455   4.218  -2.724
  187    HG3  GLU  23           HG2      GLU  23  -9.522   5.217  -1.744
  188    H    VAL  24           H        VAL  24  -8.121   2.122   1.762
  189    HA   VAL  24           HA       VAL  24 -10.282   0.393   1.758
  190    HB   VAL  24           HB       VAL  24  -8.019   0.529   3.767
  191   HG11  VAL  24          HG11      VAL  24  -9.968  -1.705   3.213
  192   HG12  VAL  24          HG12      VAL  24  -9.874  -0.742   4.687
  193   HG13  VAL  24          HG13      VAL  24  -8.549  -1.821   4.253
  194   HG21  VAL  24          HG21      VAL  24  -8.376  -1.141   1.284
  195   HG22  VAL  24          HG22      VAL  24  -7.045  -1.281   2.432
  196   HG23  VAL  24          HG23      VAL  24  -7.246   0.197   1.492
  197    H    ALA  25           H        ALA  25  -9.195   2.588   4.329
  198    HA   ALA  25           HA       ALA  25 -10.994   1.848   6.315
  199    HB1  ALA  25           HB1      ALA  25  -9.783   4.568   5.866
  200    HB2  ALA  25           HB2      ALA  25  -9.013   3.225   6.710
  201    HB3  ALA  25           HB3      ALA  25 -10.468   3.967   7.375
  202    H    ARG  26           H        ARG  26 -11.315   4.417   3.871
  203    HA   ARG  26           HA       ARG  26 -13.779   5.403   4.856
  204    HB2  ARG  26           HB3      ARG  26 -12.752   5.565   2.023
  205    HB3  ARG  26           HB2      ARG  26 -13.953   6.610   2.770
  206    HG2  ARG  26           HG3      ARG  26 -12.260   7.479   4.289
  207    HG3  ARG  26           HG2      ARG  26 -11.055   6.418   3.551
  208    HD2  ARG  26           HD2      ARG  26 -11.710   7.547   1.347
  209    HD3  ARG  26           HD1      ARG  26 -12.477   8.771   2.355
  210    HE   ARG  26           HE       ARG  26 -10.295   9.237   3.302
  211   HH11  ARG  26          HH11      ARG  26 -10.376   7.320   0.379
  212   HH12  ARG  26          HH12      ARG  26  -8.745   7.704  -0.086
  213   HH21  ARG  26          HH21      ARG  26  -8.157   9.772   2.689
  214   HH22  ARG  26          HH22      ARG  26  -7.500   9.130   1.218
  215    H    LEU  27           H        LEU  27 -12.954   3.124   2.275
  216    HA   LEU  27           HA       LEU  27 -15.582   2.676   1.390
  217    HB2  LEU  27           HB3      LEU  27 -13.218   0.800   1.303
  218    HB3  LEU  27           HB2      LEU  27 -14.697   0.611   0.380
  219    HG   LEU  27           HG       LEU  27 -12.763   2.903   0.097
  220   HD11  LEU  27          HD11      LEU  27 -13.260   0.527  -1.684
  221   HD12  LEU  27          HD12      LEU  27 -11.820   0.811  -0.707
  222   HD13  LEU  27          HD13      LEU  27 -12.200   1.889  -2.048
  223   HD21  LEU  27          HD21      LEU  27 -15.037   3.570  -0.426
  224   HD22  LEU  27          HD22      LEU  27 -15.225   2.168  -1.482
  225   HD23  LEU  27          HD23      LEU  27 -14.084   3.445  -1.903
  226    H    LYS  28           H        LYS  28 -13.818   1.364   4.118
  227    HA   LYS  28           HA       LYS  28 -15.524  -0.829   4.620
  228    HB2  LYS  28           HB3      LYS  28 -13.655   0.737   6.395
  229    HB3  LYS  28           HB2      LYS  28 -14.622  -0.591   7.014
  230    HG2  LYS  28           HG3      LYS  28 -13.523  -2.108   5.405
  231    HG3  LYS  28           HG2      LYS  28 -12.525  -0.758   4.857
  232    HD2  LYS  28           HD3      LYS  28 -11.460  -0.569   6.971
  233    HD3  LYS  28           HD2      LYS  28 -12.633  -1.667   7.731
  234    HE2  LYS  28           HE3      LYS  28 -11.790  -3.485   6.276
  235    HE3  LYS  28           HE2      LYS  28 -10.571  -2.385   5.642
  236    HZ1  LYS  28           HZ1      LYS  28 -10.838  -3.224   8.476
  237    HZ2  LYS  28           HZ2      LYS  28  -9.668  -2.165   7.873
  238    HZ3  LYS  28           HZ3      LYS  28  -9.673  -3.783   7.385
  239    H    LYS  29           H        LYS  29 -15.495   2.515   5.837
  240    HA   LYS  29           HA       LYS  29 -17.666   2.389   7.539
  241    HB2  LYS  29           HB3      LYS  29 -16.272   4.364   7.379
  242    HB3  LYS  29           HB2      LYS  29 -16.762   4.627   5.713
  243    HG2  LYS  29           HG3      LYS  29 -19.071   5.048   6.511
  244    HG3  LYS  29           HG2      LYS  29 -18.488   4.909   8.170
  245    HD2  LYS  29           HD3      LYS  29 -16.944   6.768   7.781
  246    HD3  LYS  29           HD2      LYS  29 -17.543   6.916   6.128
  247    HE2  LYS  29           HE3      LYS  29 -18.591   8.570   7.571
  248    HE3  LYS  29           HE2      LYS  29 -19.783   7.410   6.990
  249    HZ1  LYS  29           HZ1      LYS  29 -18.500   7.381   9.669
  250    HZ2  LYS  29           HZ2      LYS  29 -19.635   6.259   9.114
  251    HZ3  LYS  29           HZ3      LYS  29 -20.083   7.872   9.337
  252    H    LEU  30           H        LEU  30 -17.617   2.611   4.028
  253    HA   LEU  30           HA       LEU  30 -20.438   3.095   3.803
  254    HB2  LEU  30           HB3      LEU  30 -18.230   2.585   1.868
  255    HB3  LEU  30           HB2      LEU  30 -19.886   2.398   1.331
  256    HG   LEU  30           HG       LEU  30 -19.045   4.593   0.742
  257   HD11  LEU  30          HD11      LEU  30 -21.059   4.776   2.974
  258   HD12  LEU  30          HD12      LEU  30 -21.417   4.351   1.302
  259   HD13  LEU  30          HD13      LEU  30 -20.804   5.957   1.690
  260   HD21  LEU  30          HD21      LEU  30 -17.364   4.853   2.484
  261   HD22  LEU  30          HD22      LEU  30 -18.633   5.013   3.698
  262   HD23  LEU  30          HD23      LEU  30 -18.454   6.240   2.445
  263    H    VAL  31           H        VAL  31 -18.369   0.277   3.053
  264    HA   VAL  31           HA       VAL  31 -20.483  -1.468   2.435
  265    HB   VAL  31           HB       VAL  31 -17.779  -2.203   3.576
  266   HG11  VAL  31          HG11      VAL  31 -19.352  -4.058   3.629
  267   HG12  VAL  31          HG12      VAL  31 -18.109  -4.333   2.409
  268   HG13  VAL  31          HG13      VAL  31 -19.722  -3.812   1.922
  269   HG21  VAL  31          HG21      VAL  31 -17.096  -2.472   1.220
  270   HG22  VAL  31          HG22      VAL  31 -17.491  -0.804   1.634
  271   HG23  VAL  31          HG23      VAL  31 -18.639  -1.782   0.719
  272    H    GLY  32           H        GLY  32 -19.082  -0.529   5.514
  273    HA2  GLY  32           HA3      GLY  32 -20.166  -2.664   7.037
  274    HA3  GLY  32           HA2      GLY  32 -19.543  -1.150   7.668
  275    H    GLU  33           H        GLU  33 -21.495   0.346   5.910
  276    HA   GLU  33           HA       GLU  33 -24.000  -0.330   7.254
  277    HB2  GLU  33           HB3      GLU  33 -22.672   1.381   8.596
  278    HB3  GLU  33           HB2      GLU  33 -22.946   2.492   7.265
  279    HG2  GLU  33           HG3      GLU  33 -24.571   2.923   8.950
  280    HG3  GLU  33           HG2      GLU  33 -25.386   2.178   7.575
  281    H1   GLY   1           H1       GLY   1  20.018   4.201   6.123
  282    H2   GLY   1           H2       GLY   1  20.320   3.866   4.496
  283    H3   GLY   1           H3       GLY   1  21.572   3.768   5.626
  284    HA2  GLY   1           HA2      GLY   1  20.493   1.916   6.723
  285    HA3  GLY   1           HA3      GLY   1  19.178   2.020   5.560
  286    H    SER   2           H        SER   2  20.897  -0.251   6.070
  287    HA   SER   2           HA       SER   2  22.718  -0.406   3.835
  288    HB2  SER   2           HB3      SER   2  23.099  -2.717   4.630
  289    HB3  SER   2           HB2      SER   2  23.261  -1.542   5.936
  290    HG   SER   2           HG       SER   2  21.783  -2.638   6.936
  291    H    MET   3           H        MET   3  22.544  -2.425   2.383
  292    HA   MET   3           HA       MET   3  20.255  -2.295   0.820
  293    HB2  MET   3           HB3      MET   3  22.244  -4.553   1.098
  294    HB3  MET   3           HB2      MET   3  21.002  -4.489  -0.142
  295    HG2  MET   3           HG3      MET   3  23.007  -3.765  -1.139
  296    HG3  MET   3           HG2      MET   3  22.011  -2.330  -0.909
  297    HE1  MET   3           HE1      MET   3  24.237  -0.886  -1.382
  298    HE2  MET   3           HE2      MET   3  25.168  -2.376  -1.532
  299    HE3  MET   3           HE3      MET   3  25.730  -1.089  -0.466
  300    H    LYS   4           H        LYS   4  21.134  -4.672   3.295
  301    HA   LYS   4           HA       LYS   4  18.872  -6.311   3.010
  302    HB2  LYS   4           HB3      LYS   4  20.744  -5.872   5.331
  303    HB3  LYS   4           HB2      LYS   4  19.429  -7.032   5.391
  304    HG2  LYS   4           HG3      LYS   4  21.392  -8.231   4.865
  305    HG3  LYS   4           HG2      LYS   4  20.439  -8.143   3.385
  306    HD2  LYS   4           HD3      LYS   4  21.842  -6.362   2.546
  307    HD3  LYS   4           HD2      LYS   4  22.740  -6.317   4.064
  308    HE2  LYS   4           HE3      LYS   4  23.519  -8.598   3.675
  309    HE3  LYS   4           HE2      LYS   4  22.605  -8.658   2.169
  310    HZ1  LYS   4           HZ1      LYS   4  24.808  -6.753   2.739
  311    HZ2  LYS   4           HZ2      LYS   4  23.975  -6.911   1.274
  312    HZ3  LYS   4           HZ3      LYS   4  24.964  -8.168   1.824
  313    H    GLN   5           H        GLN   5  19.524  -3.604   5.205
  314    HA   GLN   5           HA       GLN   5  17.158  -3.793   6.700
  315    HB2  GLN   5           HB3      GLN   5  19.109  -2.460   7.393
  316    HB3  GLN   5           HB2      GLN   5  18.801  -1.333   6.079
  317    HG2  GLN   5           HG3      GLN   5  17.990  -0.436   8.170
  318    HG3  GLN   5           HG2      GLN   5  16.645  -0.757   7.076
  319   HE21  GLN   5          HE21      GLN   5  15.231  -2.458   7.532
  320   HE22  GLN   5          HE22      GLN   5  15.155  -3.182   9.102
  321    H    LEU   6           H        LEU   6  17.926  -1.979   3.768
  322    HA   LEU   6           HA       LEU   6  15.355  -0.714   3.660
  323    HB2  LEU   6           HB3      LEU   6  17.486  -0.974   1.536
  324    HB3  LEU   6           HB2      LEU   6  16.054   0.024   1.401
  325    HG   LEU   6           HG       LEU   6  18.254   0.407   3.440
  326   HD11  LEU   6          HD11      LEU   6  18.941   0.933   1.137
  327   HD12  LEU   6          HD12      LEU   6  18.862   2.359   2.167
  328   HD13  LEU   6          HD13      LEU   6  17.575   2.043   1.006
  329   HD21  LEU   6          HD21      LEU   6  16.110   1.135   4.297
  330   HD22  LEU   6          HD22      LEU   6  15.807   2.054   2.823
  331   HD23  LEU   6          HD23      LEU   6  17.113   2.531   3.908
  332    H    GLU   7           H        GLU   7  16.793  -3.607   2.342
  333    HA   GLU   7           HA       GLU   7  14.933  -4.313   0.409
  334    HB2  GLU   7           HB3      GLU   7  17.148  -5.418   0.958
  335    HB3  GLU   7           HB2      GLU   7  16.332  -6.213   2.294
  336    HG2  GLU   7           HG3      GLU   7  16.326  -7.794   0.594
  337    HG3  GLU   7           HG2      GLU   7  14.700  -7.079   0.555
  338    H    ASP   8           H        ASP   8  14.996  -5.026   3.889
  339    HA   ASP   8           HA       ASP   8  12.672  -6.557   4.069
  340    HB2  ASP   8           HB3      ASP   8  13.988  -4.714   6.063
  341    HB3  ASP   8           HB2      ASP   8  12.571  -5.677   6.464
  342    H    LYS   9           H        LYS   9  13.081  -3.075   4.458
  343    HA   LYS   9           HA       LYS   9  10.423  -2.318   4.815
  344    HB2  LYS   9           HB3      LYS   9  12.213  -0.752   2.973
  345    HB3  LYS   9           HB2      LYS   9  10.948  -0.160   4.041
  346    HG2  LYS   9           HG3      LYS   9  12.295  -0.765   6.003
  347    HG3  LYS   9           HG2      LYS   9  13.598  -1.276   4.928
  348    HD2  LYS   9           HD3      LYS   9  13.903   0.937   4.113
  349    HD3  LYS   9           HD2      LYS   9  12.421   1.493   4.892
  350    HE2  LYS   9           HE3      LYS   9  14.868   0.490   6.340
  351    HE3  LYS   9           HE2      LYS   9  14.461   2.188   6.096
  352    HZ1  LYS   9           HZ1      LYS   9  13.770   1.449   8.274
  353    HZ2  LYS   9           HZ2      LYS   9  12.837   0.210   7.603
  354    HZ3  LYS   9           HZ3      LYS   9  12.411   1.825   7.341
  355    H    VAL  10           H        VAL  10  12.162  -2.637   1.755
  356    HA   VAL  10           HA       VAL  10  10.179  -1.792  -0.000
  357    HB   VAL  10           HB       VAL  10  12.313  -3.882  -0.478
  358   HG11  VAL  10          HG11      VAL  10  12.024  -3.369  -2.853
  359   HG12  VAL  10          HG12      VAL  10  10.689  -2.288  -2.460
  360   HG13  VAL  10          HG13      VAL  10  10.541  -4.018  -2.153
  361   HG21  VAL  10          HG21      VAL  10  13.276  -1.781   0.204
  362   HG22  VAL  10          HG22      VAL  10  12.274  -0.907  -0.952
  363   HG23  VAL  10          HG23      VAL  10  13.532  -1.998  -1.527
  364    H    GLU  11           H        GLU  11  10.933  -4.987   1.252
  365    HA   GLU  11           HA       GLU  11   8.829  -6.261  -0.246
  366    HB2  GLU  11           HB3      GLU  11   9.376  -8.299   1.033
  367    HB3  GLU  11           HB2      GLU  11  10.776  -7.568   0.268
  368    HG2  GLU  11           HG3      GLU  11  11.456  -6.610   2.391
  369    HG3  GLU  11           HG2      GLU  11  10.032  -7.299   3.168
  370    H    GLU  12           H        GLU  12   9.148  -5.271   3.179
  371    HA   GLU  12           HA       GLU  12   6.759  -6.419   4.096
  372    HB2  GLU  12           HB3      GLU  12   8.505  -5.513   5.563
  373    HB3  GLU  12           HB2      GLU  12   8.138  -3.888   5.006
  374    HG2  GLU  12           HG3      GLU  12   5.921  -4.037   5.989
  375    HG3  GLU  12           HG2      GLU  12   6.260  -5.682   6.524
  376    H    LEU  13           H        LEU  13   7.369  -3.117   3.006
  377    HA   LEU  13           HA       LEU  13   4.743  -2.185   3.070
  378    HB2  LEU  13           HB3      LEU  13   7.018  -1.336   1.283
  379    HB3  LEU  13           HB2      LEU  13   5.540  -0.424   1.532
  380    HG   LEU  13           HG       LEU  13   7.523  -1.090   3.709
  381   HD11  LEU  13          HD11      LEU  13   8.112   1.301   3.587
  382   HD12  LEU  13          HD12      LEU  13   7.109   1.449   2.143
  383   HD13  LEU  13          HD13      LEU  13   8.537   0.416   2.123
  384   HD21  LEU  13          HD21      LEU  13   5.268  -0.785   4.550
  385   HD22  LEU  13          HD22      LEU  13   5.118   0.731   3.661
  386   HD23  LEU  13          HD23      LEU  13   6.274   0.596   4.987
  387    H    LEU  14           H        LEU  14   6.531  -3.651   0.354
  388    HA   LEU  14           HA       LEU  14   4.547  -3.266  -1.572
  389    HB2  LEU  14           HB3      LEU  14   6.840  -3.771  -2.179
  390    HB3  LEU  14           HB2      LEU  14   6.723  -5.355  -1.446
  391    HG   LEU  14           HG       LEU  14   5.007  -5.965  -3.145
  392   HD11  LEU  14          HD11      LEU  14   4.165  -3.771  -3.706
  393   HD12  LEU  14          HD12      LEU  14   4.815  -4.544  -5.150
  394   HD13  LEU  14          HD13      LEU  14   5.745  -3.293  -4.327
  395   HD21  LEU  14          HD21      LEU  14   6.589  -6.210  -4.991
  396   HD22  LEU  14          HD22      LEU  14   7.345  -6.579  -3.442
  397   HD23  LEU  14          HD23      LEU  14   7.662  -5.034  -4.232
  398    H    SER  15           H        SER  15   5.179  -6.099   0.539
  399    HA   SER  15           HA       SER  15   3.091  -7.661  -0.516
  400    HB2  SER  15           HB3      SER  15   3.189  -8.816   1.765
  401    HB3  SER  15           HB2      SER  15   4.679  -8.794   0.825
  402    HG   SER  15           HG       SER  15   5.510  -7.256   2.144
  403    H    LYS  16           H        LYS  16   3.134  -5.172   1.971
  404    HA   LYS  16           HA       LYS  16   0.411  -5.506   2.743
  405    HB2  LYS  16           HB3      LYS  16   2.154  -4.347   4.119
  406    HB3  LYS  16           HB2      LYS  16   2.110  -3.016   2.976
  407    HG2  LYS  16           HG3      LYS  16   0.785  -2.498   4.926
  408    HG3  LYS  16           HG2      LYS  16  -0.248  -2.648   3.503
  409    HD2  LYS  16           HD3      LYS  16  -0.958  -4.846   4.182
  410    HD3  LYS  16           HD2      LYS  16   0.209  -4.864   5.504
  411    HE2  LYS  16           HE3      LYS  16  -0.994  -2.977   6.549
  412    HE3  LYS  16           HE2      LYS  16  -2.182  -3.035   5.251
  413    HZ1  LYS  16           HZ1      LYS  16  -2.749  -5.285   5.924
  414    HZ2  LYS  16           HZ2      LYS  16  -2.969  -4.195   7.198
  415    HZ3  LYS  16           HZ3      LYS  16  -1.622  -5.215   7.184
  416    H    ASN  17           H        ASN  17   2.094  -3.390   0.462
  417    HA   ASN  17           HA       ASN  17   0.031  -1.849  -0.516
  418    HB2  ASN  17           HB3      ASN  17   2.282  -1.479  -1.274
  419    HB3  ASN  17           HB2      ASN  17   2.391  -3.106  -1.925
  420   HD21  ASN  17          HD21      ASN  17   1.195   0.127  -2.489
  421   HD22  ASN  17          HD22      ASN  17   0.760  -0.126  -4.140
  422    H    TYR  18           H        TYR  18   0.920  -5.141  -1.443
  423    HA   TYR  18           HA       TYR  18  -0.992  -5.454  -3.494
  424    HB2  TYR  18           HB3      TYR  18   0.359  -7.502  -1.729
  425    HB3  TYR  18           HB2      TYR  18  -0.739  -7.940  -3.028
  426    HD1  TYR  18           HD1      TYR  18   0.084  -6.012  -5.139
  427    HD2  TYR  18           HD2      TYR  18   2.428  -8.338  -2.438
  428    HE1  TYR  18           HE1      TYR  18   1.956  -5.971  -6.724
  429    HE2  TYR  18           HE2      TYR  18   4.300  -8.286  -4.020
  430    HH   TYR  18           HH       TYR  18   4.390  -6.205  -6.709
  431    H    HIS  19           H        HIS  19  -1.083  -6.267  -0.056
  432    HA   HIS  19           HA       HIS  19  -3.636  -7.438  -0.056
  433    HB2  HIS  19           HB3      HIS  19  -2.036  -6.144   2.151
  434    HB3  HIS  19           HB2      HIS  19  -3.584  -6.935   2.428
  435    HD1  HIS  19           HD1      HIS  19  -0.252  -7.670   2.949
  436    HD2  HIS  19           HD2      HIS  19  -3.288  -9.720   0.990
  437    HE1  HIS  19           HE1      HIS  19   0.478 -10.068   2.894
  438    HE2  HIS  19           HE2      HIS  19  -1.281 -11.247   1.534
  439    H    LEU  20           H        LEU  20  -2.628  -4.121   0.777
  440    HA   LEU  20           HA       LEU  20  -5.176  -3.166   1.445
  441    HB2  LEU  20           HB3      LEU  20  -2.845  -1.645   0.286
  442    HB3  LEU  20           HB2      LEU  20  -4.263  -0.921   1.012
  443    HG   LEU  20           HG       LEU  20  -2.333  -2.707   2.486
  444   HD11  LEU  20          HD11      LEU  20  -1.567  -0.655   3.564
  445   HD12  LEU  20          HD12      LEU  20  -2.625   0.294   2.520
  446   HD13  LEU  20          HD13      LEU  20  -1.279  -0.608   1.825
  447   HD21  LEU  20          HD21      LEU  20  -4.541  -2.793   3.440
  448   HD22  LEU  20          HD22      LEU  20  -4.676  -1.036   3.386
  449   HD23  LEU  20          HD23      LEU  20  -3.514  -1.797   4.470
  450    H    GLU  21           H        GLU  21  -3.469  -3.167  -1.659
  451    HA   GLU  21           HA       GLU  21  -5.375  -1.729  -3.128
  452    HB2  GLU  21           HB3      GLU  21  -2.945  -3.041  -3.639
  453    HB3  GLU  21           HB2      GLU  21  -4.114  -3.794  -4.711
  454    HG2  GLU  21           HG3      GLU  21  -3.456  -0.860  -4.551
  455    HG3  GLU  21           HG2      GLU  21  -3.008  -1.980  -5.832
  456    H    ASN  22           H        ASN  22  -5.139  -5.148  -2.327
  457    HA   ASN  22           HA       ASN  22  -7.316  -5.951  -3.989
  458    HB2  ASN  22           HB3      ASN  22  -5.953  -7.300  -1.659
  459    HB3  ASN  22           HB2      ASN  22  -7.254  -8.047  -2.579
  460   HD21  ASN  22          HD21      ASN  22  -6.374  -6.896  -5.113
  461   HD22  ASN  22          HD22      ASN  22  -4.959  -7.776  -5.570
  462    H    GLU  23           H        GLU  23  -6.993  -5.173  -0.538
  463    HA   GLU  23           HA       GLU  23  -9.638  -5.600   0.235
  464    HB2  GLU  23           HB3      GLU  23  -7.382  -3.994   1.240
  465    HB3  GLU  23           HB2      GLU  23  -8.965  -3.384   1.691
  466    HG2  GLU  23           HG3      GLU  23  -8.376  -4.757   3.458
  467    HG3  GLU  23           HG2      GLU  23  -9.452  -5.761   2.493
  468    H    VAL  24           H        VAL  24  -8.121  -2.651  -1.030
  469    HA   VAL  24           HA       VAL  24 -10.297  -0.945  -0.999
  470    HB   VAL  24           HB       VAL  24  -8.062  -1.062  -3.041
  471   HG11  VAL  24          HG11      VAL  24 -10.024   1.154  -2.457
  472   HG12  VAL  24          HG12      VAL  24  -9.936   0.192  -3.933
  473   HG13  VAL  24          HG13      VAL  24  -8.617   1.285  -3.513
  474   HG21  VAL  24          HG21      VAL  24  -8.397   0.605  -0.551
  475   HG22  VAL  24          HG22      VAL  24  -7.084   0.759  -1.718
  476   HG23  VAL  24          HG23      VAL  24  -7.257  -0.722  -0.775
  477    H    ALA  25           H        ALA  25  -9.217  -3.115  -3.593
  478    HA   ALA  25           HA       ALA  25 -11.055  -2.406  -5.551
  479    HB1  ALA  25           HB1      ALA  25  -9.811  -5.112  -5.113
  480    HB2  ALA  25           HB2      ALA  25  -9.062  -3.762  -5.964
  481    HB3  ALA  25           HB3      ALA  25 -10.517  -4.517  -6.615
  482    H    ARG  26           H        ARG  26 -11.316  -4.972  -3.096
  483    HA   ARG  26           HA       ARG  26 -13.783  -5.992  -4.058
  484    HB2  ARG  26           HB3      ARG  26 -12.720  -6.144  -1.236
  485    HB3  ARG  26           HB2      ARG  26 -13.918  -7.202  -1.969
  486    HG2  ARG  26           HG3      ARG  26 -12.237  -8.050  -3.512
  487    HG3  ARG  26           HG2      ARG  26 -11.034  -6.977  -2.788
  488    HD2  ARG  26           HD2      ARG  26 -11.644  -8.112  -0.581
  489    HD3  ARG  26           HD1      ARG  26 -12.415  -9.343  -1.575
  490    HE   ARG  26           HE       ARG  26 -10.237  -9.792  -2.554
  491   HH11  ARG  26          HH11      ARG  26 -10.311  -7.892   0.380
  492   HH12  ARG  26          HH12      ARG  26  -8.669  -8.247   0.822
  493   HH21  ARG  26          HH21      ARG  26  -8.085 -10.315  -1.958
  494   HH22  ARG  26          HH22      ARG  26  -7.419  -9.667  -0.493
  495    H    LEU  27           H        LEU  27 -12.949  -3.702  -1.488
  496    HA   LEU  27           HA       LEU  27 -15.569  -3.279  -0.566
  497    HB2  LEU  27           HB3      LEU  27 -13.219  -1.382  -0.507
  498    HB3  LEU  27           HB2      LEU  27 -14.688  -1.205   0.434
  499    HG   LEU  27           HG       LEU  27 -12.732  -3.481   0.693
  500   HD11  LEU  27          HD11      LEU  27 -13.228  -1.111   2.482
  501   HD12  LEU  27          HD12      LEU  27 -11.799  -1.380   1.485
  502   HD13  LEU  27          HD13      LEU  27 -12.152  -2.463   2.831
  503   HD21  LEU  27          HD21      LEU  27 -14.993  -4.169   1.244
  504   HD22  LEU  27          HD22      LEU  27 -15.180  -2.771   2.302
  505   HD23  LEU  27          HD23      LEU  27 -14.022  -4.037   2.709
  506    H    LYS  28           H        LYS  28 -13.854  -1.949  -3.317
  507    HA   LYS  28           HA       LYS  28 -15.578   0.234  -3.801
  508    HB2  LYS  28           HB3      LYS  28 -13.720  -1.326  -5.590
  509    HB3  LYS  28           HB2      LYS  28 -14.702  -0.005  -6.200
  510    HG2  LYS  28           HG3      LYS  28 -13.623   1.513  -4.589
  511    HG3  LYS  28           HG2      LYS  28 -12.604   0.171  -4.056
  512    HD2  LYS  28           HD3      LYS  28 -11.540   0.016  -6.180
  513    HD3  LYS  28           HD2      LYS  28 -12.740   1.092  -6.930
  514    HE2  LYS  28           HE3      LYS  28 -11.902   2.934  -5.490
  515    HE3  LYS  28           HE2      LYS  28 -10.651   1.859  -4.874
  516    HZ1  LYS  28           HZ1      LYS  28 -10.988   2.676  -7.705
  517    HZ2  LYS  28           HZ2      LYS  28  -9.796   1.631  -7.122
  518    HZ3  LYS  28           HZ3      LYS  28  -9.807   3.251  -6.641
  519    H    LYS  29           H        LYS  29 -15.544  -3.115  -5.007
  520    HA   LYS  29           HA       LYS  29 -17.736  -3.010  -6.691
  521    HB2  LYS  29           HB3      LYS  29 -16.315  -4.969  -6.551
  522    HB3  LYS  29           HB2      LYS  29 -16.783  -5.241  -4.882
  523    HG2  LYS  29           HG3      LYS  29 -19.095  -5.686  -5.650
  524    HG3  LYS  29           HG2      LYS  29 -18.536  -5.541  -7.317
  525    HD2  LYS  29           HD3      LYS  29 -16.967  -7.384  -6.946
  526    HD3  LYS  29           HD2      LYS  29 -17.545  -7.538  -5.286
  527    HE2  LYS  29           HE3      LYS  29 -18.593  -9.200  -6.716
  528    HE3  LYS  29           HE2      LYS  29 -19.787  -8.053  -6.119
  529    HZ1  LYS  29           HZ1      LYS  29 -18.542  -8.007  -8.812
  530    HZ2  LYS  29           HZ2      LYS  29 -19.681  -6.898  -8.241
  531    HZ3  LYS  29           HZ3      LYS  29 -20.115  -8.516  -8.457
  532    H    LEU  30           H        LEU  30 -17.639  -3.228  -3.177
  533    HA   LEU  30           HA       LEU  30 -20.454  -3.747  -2.921
  534    HB2  LEU  30           HB3      LEU  30 -18.226  -3.213  -1.008
  535    HB3  LEU  30           HB2      LEU  30 -19.879  -3.045  -0.453
  536    HG   LEU  30           HG       LEU  30 -19.004  -5.232   0.125
  537   HD11  LEU  30          HD11      LEU  30 -21.043  -5.439  -2.081
  538   HD12  LEU  30          HD12      LEU  30 -21.384  -5.018  -0.404
  539   HD13  LEU  30          HD13      LEU  30 -20.757  -6.617  -0.802
  540   HD21  LEU  30          HD21      LEU  30 -17.341  -5.474  -1.638
  541   HD22  LEU  30          HD22      LEU  30 -18.624  -5.649  -2.835
  542   HD23  LEU  30          HD23      LEU  30 -18.415  -6.872  -1.582
  543    H    VAL  31           H        VAL  31 -18.401  -0.910  -2.191
  544    HA   VAL  31           HA       VAL  31 -20.522   0.817  -1.545
  545    HB   VAL  31           HB       VAL  31 -17.841   1.576  -2.720
  546   HG11  VAL  31          HG11      VAL  31 -19.433   3.416  -2.751
  547   HG12  VAL  31          HG12      VAL  31 -18.178   3.703  -1.545
  548   HG13  VAL  31          HG13      VAL  31 -19.780   3.164  -1.041
  549   HG21  VAL  31          HG21      VAL  31 -17.129   1.850  -0.372
  550   HG22  VAL  31          HG22      VAL  31 -17.515   0.179  -0.782
  551   HG23  VAL  31          HG23      VAL  31 -18.660   1.146   0.148
  552    H    GLY  32           H        GLY  32 -19.148  -0.102  -4.646
  553    HA2  GLY  32           HA3      GLY  32 -20.273   2.025  -6.149
  554    HA3  GLY  32           HA2      GLY  32 -19.647   0.518  -6.792
  555    H    GLU  33           H        GLU  33 -21.551  -1.012  -5.024
  556    HA   GLU  33           HA       GLU  33 -24.087  -0.348  -6.322
  557    HB2  GLU  33           HB3      GLU  33 -22.760  -2.053  -7.678
  558    HB3  GLU  33           HB2      GLU  33 -23.003  -3.163  -6.338
  559    HG2  GLU  33           HG3      GLU  33 -24.648  -3.612  -7.999
  560    HG3  GLU  33           HG2      GLU  33 -25.451  -2.874  -6.614
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  25.505   2.755  -2.182
    2    H2   GLY   1           H2       GLY   1  27.012   2.019  -2.383
    3    H3   GLY   1           H3       GLY   1  25.778   1.200  -1.574
    4    HA2  GLY   1           HA2      GLY   1  25.800   1.937  -4.441
    5    HA3  GLY   1           HA3      GLY   1  26.035   0.321  -3.790
    6    H    SER   2           H        SER   2  23.912   2.056  -5.375
    7    HA   SER   2           HA       SER   2  21.683   2.128  -5.703
    8    HB2  SER   2           HB3      SER   2  20.568  -0.180  -5.434
    9    HB3  SER   2           HB2      SER   2  21.895  -0.009  -6.577
   10    HG   SER   2           HG       SER   2  21.741  -1.445  -4.217
   11    H    MET   3           H        MET   3  22.455   2.951  -2.990
   12    HA   MET   3           HA       MET   3  20.417   2.016  -1.219
   13    HB2  MET   3           HB3      MET   3  22.240   4.414  -1.138
   14    HB3  MET   3           HB2      MET   3  21.030   4.111   0.099
   15    HG2  MET   3           HG3      MET   3  22.091   1.960   0.594
   16    HG3  MET   3           HG2      MET   3  23.321   2.302  -0.623
   17    HE1  MET   3           HE1      MET   3  25.160   2.678   2.862
   18    HE2  MET   3           HE2      MET   3  25.099   1.774   1.351
   19    HE3  MET   3           HE3      MET   3  23.808   1.594   2.537
   20    H    LYS   4           H        LYS   4  20.839   4.877  -3.247
   21    HA   LYS   4           HA       LYS   4  18.448   6.169  -2.555
   22    HB2  LYS   4           HB3      LYS   4  20.005   6.283  -5.141
   23    HB3  LYS   4           HB2      LYS   4  18.727   7.402  -4.688
   24    HG2  LYS   4           HG3      LYS   4  20.052   8.079  -2.727
   25    HG3  LYS   4           HG2      LYS   4  21.344   7.007  -3.259
   26    HD2  LYS   4           HD3      LYS   4  20.264   9.289  -4.908
   27    HD3  LYS   4           HD2      LYS   4  21.660   9.422  -3.844
   28    HE2  LYS   4           HE3      LYS   4  22.675   9.006  -5.861
   29    HE3  LYS   4           HE2      LYS   4  22.534   7.378  -5.207
   30    HZ1  LYS   4           HZ1      LYS   4  21.859   7.473  -7.522
   31    HZ2  LYS   4           HZ2      LYS   4  20.674   8.619  -7.158
   32    HZ3  LYS   4           HZ3      LYS   4  20.550   7.052  -6.542
   33    H    GLN   5           H        GLN   5  19.164   3.702  -4.977
   34    HA   GLN   5           HA       GLN   5  16.654   3.735  -6.255
   35    HB2  GLN   5           HB3      GLN   5  18.779   1.622  -5.992
   36    HB3  GLN   5           HB2      GLN   5  17.278   1.317  -6.853
   37    HG2  GLN   5           HG3      GLN   5  17.786   3.242  -8.324
   38    HG3  GLN   5           HG2      GLN   5  19.338   3.407  -7.507
   39   HE21  GLN   5          HE21      GLN   5  20.962   1.950  -7.934
   40   HE22  GLN   5          HE22      GLN   5  20.873   0.782  -9.206
   41    H    LEU   6           H        LEU   6  17.856   1.965  -3.447
   42    HA   LEU   6           HA       LEU   6  15.501   0.365  -3.199
   43    HB2  LEU   6           HB3      LEU   6  17.719   0.900  -1.221
   44    HB3  LEU   6           HB2      LEU   6  16.414  -0.234  -0.957
   45    HG   LEU   6           HG       LEU   6  18.442  -0.437  -3.183
   46   HD11  LEU   6          HD11      LEU   6  19.386  -2.274  -1.911
   47   HD12  LEU   6          HD12      LEU   6  18.213  -2.008  -0.623
   48   HD13  LEU   6          HD13      LEU   6  19.436  -0.784  -0.967
   49   HD21  LEU   6          HD21      LEU   6  17.516  -2.712  -3.437
   50   HD22  LEU   6          HD22      LEU   6  16.339  -1.452  -3.799
   51   HD23  LEU   6          HD23      LEU   6  16.265  -2.310  -2.259
   52    H    GLU   7           H        GLU   7  16.640   3.334  -1.583
   53    HA   GLU   7           HA       GLU   7  14.455   3.340   0.250
   54    HB2  GLU   7           HB3      GLU   7  15.205   5.582   0.881
   55    HB3  GLU   7           HB2      GLU   7  16.528   4.429   0.852
   56    HG2  GLU   7           HG3      GLU   7  17.249   5.295  -1.306
   57    HG3  GLU   7           HG2      GLU   7  15.906   6.460  -1.279
   58    H    ASP   8           H        ASP   8  14.880   4.521  -2.993
   59    HA   ASP   8           HA       ASP   8  12.672   6.288  -3.071
   60    HB2  ASP   8           HB3      ASP   8  14.407   4.993  -5.029
   61    HB3  ASP   8           HB2      ASP   8  12.749   5.154  -5.595
   62    H    LYS   9           H        LYS   9  12.959   2.851  -3.829
   63    HA   LYS   9           HA       LYS   9  10.273   2.256  -4.342
   64    HB2  LYS   9           HB3      LYS   9  11.920   0.388  -2.654
   65    HB3  LYS   9           HB2      LYS   9  10.713   0.005  -3.873
   66    HG2  LYS   9           HG3      LYS   9  12.195   0.720  -5.651
   67    HG3  LYS   9           HG2      LYS   9  13.419   1.183  -4.467
   68    HD2  LYS   9           HD3      LYS   9  13.595  -1.136  -3.729
   69    HD3  LYS   9           HD2      LYS   9  12.346  -1.607  -4.884
   70    HE2  LYS   9           HE3      LYS   9  14.995  -0.364  -5.615
   71    HE3  LYS   9           HE2      LYS   9  14.643  -2.089  -5.674
   72    HZ1  LYS   9           HZ1      LYS   9  12.940  -1.667  -7.318
   73    HZ2  LYS   9           HZ2      LYS   9  14.417  -1.029  -7.845
   74    HZ3  LYS   9           HZ3      LYS   9  13.224  -0.000  -7.237
   75    H    VAL  10           H        VAL  10  11.980   2.235  -1.263
   76    HA   VAL  10           HA       VAL  10   9.953   1.441   0.467
   77    HB   VAL  10           HB       VAL  10  12.155   3.445   1.027
   78   HG11  VAL  10          HG11      VAL  10  10.500   1.777   2.918
   79   HG12  VAL  10          HG12      VAL  10  10.408   3.526   2.717
   80   HG13  VAL  10          HG13      VAL  10  11.870   2.789   3.373
   81   HG21  VAL  10          HG21      VAL  10  13.066   1.351   0.216
   82   HG22  VAL  10          HG22      VAL  10  12.087   0.450   1.373
   83   HG23  VAL  10          HG23      VAL  10  13.374   1.510   1.944
   84    H    GLU  11           H        GLU  11  10.858   4.553  -0.802
   85    HA   GLU  11           HA       GLU  11   8.929   6.092   0.628
   86    HB2  GLU  11           HB3      GLU  11  10.972   7.077  -0.317
   87    HB3  GLU  11           HB2      GLU  11  10.387   6.739  -1.941
   88    HG2  GLU  11           HG3      GLU  11   8.483   8.241  -1.545
   89    HG3  GLU  11           HG2      GLU  11   9.131   8.612   0.052
   90    H    GLU  12           H        GLU  12   9.023   4.932  -2.764
   91    HA   GLU  12           HA       GLU  12   6.571   6.056  -3.552
   92    HB2  GLU  12           HB3      GLU  12   8.292   5.160  -5.097
   93    HB3  GLU  12           HB2      GLU  12   7.878   3.531  -4.583
   94    HG2  GLU  12           HG3      GLU  12   6.837   3.983  -6.691
   95    HG3  GLU  12           HG2      GLU  12   5.594   3.871  -5.446
   96    H    LEU  13           H        LEU  13   7.256   2.693  -2.697
   97    HA   LEU  13           HA       LEU  13   4.711   1.663  -2.696
   98    HB2  LEU  13           HB3      LEU  13   7.011   0.954  -0.881
   99    HB3  LEU  13           HB2      LEU  13   5.566  -0.020  -1.077
  100    HG   LEU  13           HG       LEU  13   7.518   0.629  -3.287
  101   HD11  LEU  13          HD11      LEU  13   8.143  -1.748  -3.096
  102   HD12  LEU  13          HD12      LEU  13   7.144  -1.869  -1.648
  103   HD13  LEU  13          HD13      LEU  13   8.555  -0.813  -1.660
  104   HD21  LEU  13          HD21      LEU  13   6.295  -1.122  -4.515
  105   HD22  LEU  13          HD22      LEU  13   5.275   0.263  -4.129
  106   HD23  LEU  13          HD23      LEU  13   5.137  -1.221  -3.188
  107    H    LEU  14           H        LEU  14   6.348   3.276   0.029
  108    HA   LEU  14           HA       LEU  14   4.261   2.849   1.873
  109    HB2  LEU  14           HB3      LEU  14   6.498   3.392   2.628
  110    HB3  LEU  14           HB2      LEU  14   6.429   4.953   1.841
  111    HG   LEU  14           HG       LEU  14   4.606   5.615   3.396
  112   HD11  LEU  14          HD11      LEU  14   3.709   3.441   3.953
  113   HD12  LEU  14          HD12      LEU  14   4.257   4.251   5.420
  114   HD13  LEU  14          HD13      LEU  14   5.235   2.971   4.701
  115   HD21  LEU  14          HD21      LEU  14   7.170   4.702   4.691
  116   HD22  LEU  14          HD22      LEU  14   6.050   5.891   5.354
  117   HD23  LEU  14          HD23      LEU  14   6.914   6.232   3.855
  118    H    SER  15           H        SER  15   5.013   5.592  -0.280
  119    HA   SER  15           HA       SER  15   2.923   7.268   0.509
  120    HB2  SER  15           HB3      SER  15   4.018   6.945  -2.295
  121    HB3  SER  15           HB2      SER  15   3.216   8.370  -1.632
  122    HG   SER  15           HG       SER  15   5.772   7.323  -1.033
  123    H    LYS  16           H        LYS  16   3.003   4.698  -1.938
  124    HA   LYS  16           HA       LYS  16   0.291   4.996  -2.733
  125    HB2  LYS  16           HB3      LYS  16   2.042   3.888  -4.114
  126    HB3  LYS  16           HB2      LYS  16   2.077   2.561  -2.962
  127    HG2  LYS  16           HG3      LYS  16  -0.296   2.103  -3.475
  128    HG3  LYS  16           HG2      LYS  16  -0.246   3.373  -4.697
  129    HD2  LYS  16           HD3      LYS  16   1.534   2.158  -5.872
  130    HD3  LYS  16           HD2      LYS  16   1.448   0.878  -4.661
  131    HE2  LYS  16           HE3      LYS  16   0.204   0.236  -6.639
  132    HE3  LYS  16           HE2      LYS  16  -0.893   0.470  -5.282
  133    HZ1  LYS  16           HZ1      LYS  16  -1.773   1.460  -7.291
  134    HZ2  LYS  16           HZ2      LYS  16  -0.395   2.422  -7.463
  135    HZ3  LYS  16           HZ3      LYS  16  -1.435   2.663  -6.153
  136    H    ASN  17           H        ASN  17   1.951   2.885  -0.439
  137    HA   ASN  17           HA       ASN  17  -0.133   1.253   0.390
  138    HB2  ASN  17           HB3      ASN  17   2.264   1.037   1.067
  139    HB3  ASN  17           HB2      ASN  17   2.065   2.435   2.110
  140   HD21  ASN  17          HD21      ASN  17   1.423  -0.964   1.731
  141   HD22  ASN  17          HD22      ASN  17   0.801  -1.210   3.319
  142    H    TYR  18           H        TYR  18   0.879   4.385   1.732
  143    HA   TYR  18           HA       TYR  18  -1.034   4.711   3.681
  144    HB2  TYR  18           HB3      TYR  18   1.010   6.187   2.797
  145    HB3  TYR  18           HB2      TYR  18  -0.305   7.077   2.036
  146    HD1  TYR  18           HD1      TYR  18   1.034   5.907   5.256
  147    HD2  TYR  18           HD2      TYR  18  -1.711   8.508   3.314
  148    HE1  TYR  18           HE1      TYR  18   0.627   7.048   7.378
  149    HE2  TYR  18           HE2      TYR  18  -2.127   9.664   5.442
  150    HH   TYR  18           HH       TYR  18  -1.953   9.192   7.858
  151    H    HIS  19           H        HIS  19  -1.221   5.583   0.248
  152    HA   HIS  19           HA       HIS  19  -3.755   6.815   0.368
  153    HB2  HIS  19           HB3      HIS  19  -2.388   5.485  -1.981
  154    HB3  HIS  19           HB2      HIS  19  -3.796   6.533  -2.091
  155    HD1  HIS  19           HD1      HIS  19  -1.039   7.124  -3.468
  156    HD2  HIS  19           HD2      HIS  19  -2.338   8.744   0.126
  157    HE1  HIS  19           HE1      HIS  19   0.271   9.242  -3.173
  158    HE2  HIS  19           HE2      HIS  19  -0.391  10.095  -0.903
  159    H    LEU  20           H        LEU  20  -2.769   3.504  -0.407
  160    HA   LEU  20           HA       LEU  20  -5.347   2.556  -1.030
  161    HB2  LEU  20           HB3      LEU  20  -2.977   1.020   0.031
  162    HB3  LEU  20           HB2      LEU  20  -4.421   0.308  -0.654
  163    HG   LEU  20           HG       LEU  20  -2.469   2.055  -2.154
  164   HD11  LEU  20          HD11      LEU  20  -2.972  -0.907  -2.241
  165   HD12  LEU  20          HD12      LEU  20  -1.516  -0.102  -1.653
  166   HD13  LEU  20          HD13      LEU  20  -1.944  -0.016  -3.363
  167   HD21  LEU  20          HD21      LEU  20  -4.909   0.562  -3.103
  168   HD22  LEU  20          HD22      LEU  20  -3.753   1.407  -4.133
  169   HD23  LEU  20          HD23      LEU  20  -4.741   2.313  -2.988
  170    H    GLU  21           H        GLU  21  -3.513   2.608   2.011
  171    HA   GLU  21           HA       GLU  21  -5.356   1.099   3.494
  172    HB2  GLU  21           HB3      GLU  21  -2.931   1.933   4.105
  173    HB3  GLU  21           HB2      GLU  21  -3.795   3.291   4.812
  174    HG2  GLU  21           HG3      GLU  21  -5.154   1.599   6.099
  175    HG3  GLU  21           HG2      GLU  21  -4.003   0.384   5.544
  176    H    ASN  22           H        ASN  22  -5.151   4.539   2.805
  177    HA   ASN  22           HA       ASN  22  -7.193   5.437   4.507
  178    HB2  ASN  22           HB3      ASN  22  -6.291   6.511   1.828
  179    HB3  ASN  22           HB2      ASN  22  -7.429   7.338   2.883
  180   HD21  ASN  22          HD21      ASN  22  -4.902   8.285   1.952
  181   HD22  ASN  22          HD22      ASN  22  -3.929   8.572   3.353
  182    H    GLU  23           H        GLU  23  -7.306   4.304   1.145
  183    HA   GLU  23           HA       GLU  23 -10.096   4.681   0.855
  184    HB2  GLU  23           HB3      GLU  23  -8.180   2.916  -0.672
  185    HB3  GLU  23           HB2      GLU  23  -9.865   3.153  -1.118
  186    HG2  GLU  23           HG3      GLU  23  -9.339   5.632  -1.205
  187    HG3  GLU  23           HG2      GLU  23  -7.642   5.167  -1.111
  188    H    VAL  24           H        VAL  24  -8.128   1.887   1.809
  189    HA   VAL  24           HA       VAL  24 -10.097  -0.063   1.951
  190    HB   VAL  24           HB       VAL  24  -7.808   0.348   3.886
  191   HG11  VAL  24          HG11      VAL  24  -9.492  -2.099   3.370
  192   HG12  VAL  24          HG12      VAL  24  -9.492  -1.122   4.839
  193   HG13  VAL  24          HG13      VAL  24  -8.054  -2.040   4.390
  194   HG21  VAL  24          HG21      VAL  24  -8.032  -1.326   1.392
  195   HG22  VAL  24          HG22      VAL  24  -6.677  -1.361   2.520
  196   HG23  VAL  24          HG23      VAL  24  -7.029   0.109   1.611
  197    H    ALA  25           H        ALA  25  -9.044   2.166   4.520
  198    HA   ALA  25           HA       ALA  25 -10.915   1.410   6.457
  199    HB1  ALA  25           HB1      ALA  25 -10.365   3.492   7.571
  200    HB2  ALA  25           HB2      ALA  25  -9.623   4.106   6.095
  201    HB3  ALA  25           HB3      ALA  25  -8.909   2.730   6.935
  202    H    ARG  26           H        ARG  26 -11.050   4.112   4.133
  203    HA   ARG  26           HA       ARG  26 -13.487   5.184   4.970
  204    HB2  ARG  26           HB3      ARG  26 -11.942   6.347   3.454
  205    HB3  ARG  26           HB2      ARG  26 -12.296   5.177   2.191
  206    HG2  ARG  26           HG3      ARG  26 -14.622   5.919   2.144
  207    HG3  ARG  26           HG2      ARG  26 -14.274   7.089   3.417
  208    HD2  ARG  26           HD2      ARG  26 -12.653   8.193   1.950
  209    HD3  ARG  26           HD1      ARG  26 -13.014   7.026   0.679
  210    HE   ARG  26           HE       ARG  26 -15.392   8.298   1.521
  211   HH11  ARG  26          HH11      ARG  26 -12.470   8.924  -0.297
  212   HH12  ARG  26          HH12      ARG  26 -13.202  10.136  -1.299
  213   HH21  ARG  26          HH21      ARG  26 -16.358   9.887   0.205
  214   HH22  ARG  26          HH22      ARG  26 -15.415  10.690  -1.009
  215    H    LEU  27           H        LEU  27 -12.872   2.966   2.246
  216    HA   LEU  27           HA       LEU  27 -15.548   2.628   1.508
  217    HB2  LEU  27           HB3      LEU  27 -13.213   0.744   1.188
  218    HB3  LEU  27           HB2      LEU  27 -14.755   0.563   0.377
  219    HG   LEU  27           HG       LEU  27 -12.922   2.926   0.030
  220   HD11  LEU  27          HD11      LEU  27 -13.361   0.539  -1.750
  221   HD12  LEU  27          HD12      LEU  27 -11.889   0.923  -0.858
  222   HD13  LEU  27          HD13      LEU  27 -12.425   1.974  -2.168
  223   HD21  LEU  27          HD21      LEU  27 -14.356   3.440  -1.882
  224   HD22  LEU  27          HD22      LEU  27 -15.266   3.448  -0.373
  225   HD23  LEU  27          HD23      LEU  27 -15.390   2.074  -1.471
  226    H    LYS  28           H        LYS  28 -13.717   1.167   4.068
  227    HA   LYS  28           HA       LYS  28 -15.380  -1.131   4.382
  228    HB2  LYS  28           HB3      LYS  28 -12.970  -0.963   5.067
  229    HB3  LYS  28           HB2      LYS  28 -13.478   0.081   6.383
  230    HG2  LYS  28           HG3      LYS  28 -14.625  -1.654   7.467
  231    HG3  LYS  28           HG2      LYS  28 -14.580  -2.686   6.037
  232    HD2  LYS  28           HD3      LYS  28 -12.142  -1.807   7.592
  233    HD3  LYS  28           HD2      LYS  28 -12.973  -3.364   7.814
  234    HE2  LYS  28           HE3      LYS  28 -12.545  -3.872   5.424
  235    HE3  LYS  28           HE2      LYS  28 -11.636  -2.369   5.291
  236    HZ1  LYS  28           HZ1      LYS  28 -10.959  -4.634   7.085
  237    HZ2  LYS  28           HZ2      LYS  28 -10.076  -3.200   6.933
  238    HZ3  LYS  28           HZ3      LYS  28 -10.182  -4.273   5.622
  239    H    LYS  29           H        LYS  29 -14.986   1.889   6.272
  240    HA   LYS  29           HA       LYS  29 -17.189   1.455   7.962
  241    HB2  LYS  29           HB3      LYS  29 -15.703   3.915   7.073
  242    HB3  LYS  29           HB2      LYS  29 -17.165   4.082   8.024
  243    HG2  LYS  29           HG3      LYS  29 -15.067   4.214   9.332
  244    HG3  LYS  29           HG2      LYS  29 -16.161   2.960   9.896
  245    HD2  LYS  29           HD3      LYS  29 -14.812   1.296   8.637
  246    HD3  LYS  29           HD2      LYS  29 -13.697   2.587   8.189
  247    HE2  LYS  29           HE3      LYS  29 -14.332   1.687  10.997
  248    HE3  LYS  29           HE2      LYS  29 -12.862   1.313  10.099
  249    HZ1  LYS  29           HZ1      LYS  29 -13.757   4.034  10.884
  250    HZ2  LYS  29           HZ2      LYS  29 -12.336   3.668  10.045
  251    HZ3  LYS  29           HZ3      LYS  29 -12.534   3.145  11.640
  252    H    LEU  30           H        LEU  30 -16.957   2.698   4.704
  253    HA   LEU  30           HA       LEU  30 -19.598   3.753   4.596
  254    HB2  LEU  30           HB3      LEU  30 -17.422   3.263   2.666
  255    HB3  LEU  30           HB2      LEU  30 -19.039   3.243   1.996
  256    HG   LEU  30           HG       LEU  30 -17.995   5.449   1.786
  257   HD11  LEU  30          HD11      LEU  30 -20.295   5.405   3.731
  258   HD12  LEU  30          HD12      LEU  30 -20.418   5.296   1.976
  259   HD13  LEU  30          HD13      LEU  30 -19.814   6.772   2.727
  260   HD21  LEU  30          HD21      LEU  30 -17.987   5.458   4.800
  261   HD22  LEU  30          HD22      LEU  30 -17.580   6.822   3.759
  262   HD23  LEU  30          HD23      LEU  30 -16.565   5.381   3.761
  263    H    VAL  31           H        VAL  31 -18.228   0.763   3.144
  264    HA   VAL  31           HA       VAL  31 -20.757  -0.200   2.347
  265    HB   VAL  31           HB       VAL  31 -18.538  -0.897   1.392
  266   HG11  VAL  31          HG11      VAL  31 -18.451  -2.652   3.839
  267   HG12  VAL  31          HG12      VAL  31 -17.320  -1.363   3.424
  268   HG13  VAL  31          HG13      VAL  31 -17.405  -2.815   2.428
  269   HG21  VAL  31          HG21      VAL  31 -20.569  -2.031   0.782
  270   HG22  VAL  31          HG22      VAL  31 -20.465  -3.053   2.215
  271   HG23  VAL  31          HG23      VAL  31 -19.260  -3.201   0.937
  272    H    GLY  32           H        GLY  32 -18.957  -0.574   5.353
  273    HA2  GLY  32           HA3      GLY  32 -20.412  -0.952   7.317
  274    HA3  GLY  32           HA2      GLY  32 -21.194  -2.212   6.370
  275    H    GLU  33           H        GLU  33 -19.545  -2.094   8.959
  276    HA   GLU  33           HA       GLU  33 -18.197  -4.600   8.523
  277    HB2  GLU  33           HB3      GLU  33 -16.490  -2.882   7.857
  278    HB3  GLU  33           HB2      GLU  33 -16.584  -2.228   9.485
  279    HG2  GLU  33           HG3      GLU  33 -14.653  -3.640   9.297
  280    HG3  GLU  33           HG2      GLU  33 -15.825  -4.392  10.377
  281    H1   GLY   1           H1       GLY   1  25.556  -2.882   2.458
  282    H2   GLY   1           H2       GLY   1  27.057  -2.134   2.638
  283    H3   GLY   1           H3       GLY   1  25.803  -1.325   1.854
  284    HA2  GLY   1           HA2      GLY   1  25.878  -2.072   4.718
  285    HA3  GLY   1           HA3      GLY   1  26.080  -0.451   4.071
  286    H    SER   2           H        SER   2  24.012  -2.206   5.693
  287    HA   SER   2           HA       SER   2  21.785  -2.328   6.042
  288    HB2  SER   2           HB3      SER   2  20.633  -0.031   5.781
  289    HB3  SER   2           HB2      SER   2  21.960  -0.196   6.923
  290    HG   SER   2           HG       SER   2  21.809   1.238   4.549
  291    H    MET   3           H        MET   3  22.529  -3.133   3.310
  292    HA   MET   3           HA       MET   3  20.451  -2.224   1.575
  293    HB2  MET   3           HB3      MET   3  22.300  -4.600   1.461
  294    HB3  MET   3           HB2      MET   3  21.068  -4.309   0.244
  295    HG2  MET   3           HG3      MET   3  22.097  -2.139  -0.256
  296    HG3  MET   3           HG2      MET   3  23.356  -2.480   0.930
  297    HE1  MET   3           HE1      MET   3  25.142  -2.813  -2.576
  298    HE2  MET   3           HE2      MET   3  25.089  -1.926  -1.052
  299    HE3  MET   3           HE3      MET   3  23.786  -1.740  -2.226
  300    H    LYS   4           H        LYS   4  20.939  -5.080   3.595
  301    HA   LYS   4           HA       LYS   4  18.557  -6.403   2.935
  302    HB2  LYS   4           HB3      LYS   4  20.156  -6.494   5.496
  303    HB3  LYS   4           HB2      LYS   4  18.889  -7.634   5.062
  304    HG2  LYS   4           HG3      LYS   4  20.193  -8.286   3.078
  305    HG3  LYS   4           HG2      LYS   4  21.480  -7.198   3.592
  306    HD2  LYS   4           HD3      LYS   4  20.451  -9.496   5.251
  307    HD3  LYS   4           HD2      LYS   4  21.838  -9.609   4.170
  308    HE2  LYS   4           HE3      LYS   4  22.865  -9.189   6.184
  309    HE3  LYS   4           HE2      LYS   4  22.708  -7.561   5.531
  310    HZ1  LYS   4           HZ1      LYS   4  22.055  -7.661   7.852
  311    HZ2  LYS   4           HZ2      LYS   4  20.871  -8.813   7.501
  312    HZ3  LYS   4           HZ3      LYS   4  20.733  -7.249   6.887
  313    H    GLN   5           H        GLN   5  19.275  -3.928   5.351
  314    HA   GLN   5           HA       GLN   5  16.786  -3.999   6.666
  315    HB2  GLN   5           HB3      GLN   5  18.878  -1.857   6.373
  316    HB3  GLN   5           HB2      GLN   5  17.385  -1.571   7.255
  317    HG2  GLN   5           HG3      GLN   5  17.936  -3.483   8.723
  318    HG3  GLN   5           HG2      GLN   5  19.478  -3.635   7.881
  319   HE21  GLN   5          HE21      GLN   5  21.094  -2.166   8.278
  320   HE22  GLN   5          HE22      GLN   5  21.021  -1.008   9.559
  321    H    LEU   6           H        LEU   6  17.921  -2.211   3.840
  322    HA   LEU   6           HA       LEU   6  15.543  -0.643   3.627
  323    HB2  LEU   6           HB3      LEU   6  17.738  -1.147   1.616
  324    HB3  LEU   6           HB2      LEU   6  16.414  -0.030   1.372
  325    HG   LEU   6           HG       LEU   6  18.472   0.200   3.569
  326   HD11  LEU   6          HD11      LEU   6  19.372   2.049   2.281
  327   HD12  LEU   6          HD12      LEU   6  18.185   1.767   1.011
  328   HD13  LEU   6          HD13      LEU   6  19.429   0.559   1.338
  329   HD21  LEU   6          HD21      LEU   6  17.517   2.463   3.835
  330   HD22  LEU   6          HD22      LEU   6  16.364   1.186   4.215
  331   HD23  LEU   6          HD23      LEU   6  16.256   2.041   2.677
  332    H    GLU   7           H        GLU   7  16.696  -3.594   1.992
  333    HA   GLU   7           HA       GLU   7  14.485  -3.630   0.189
  334    HB2  GLU   7           HB3      GLU   7  15.264  -5.854  -0.458
  335    HB3  GLU   7           HB2      GLU   7  16.570  -4.682  -0.444
  336    HG2  GLU   7           HG3      GLU   7  17.329  -5.543   1.703
  337    HG3  GLU   7           HG2      GLU   7  16.005  -6.732   1.690
  338    H    ASP   8           H        ASP   8  14.978  -4.809   3.420
  339    HA   ASP   8           HA       ASP   8  12.796  -6.605   3.526
  340    HB2  ASP   8           HB3      ASP   8  14.543  -5.288   5.464
  341    HB3  ASP   8           HB2      ASP   8  12.895  -5.478   6.052
  342    H    LYS   9           H        LYS   9  13.047  -3.162   4.281
  343    HA   LYS   9           HA       LYS   9  10.360  -2.607   4.839
  344    HB2  LYS   9           HB3      LYS   9  11.955  -0.710   3.131
  345    HB3  LYS   9           HB2      LYS   9  10.760  -0.347   4.368
  346    HG2  LYS   9           HG3      LYS   9  12.275  -1.041   6.122
  347    HG3  LYS   9           HG2      LYS   9  13.490  -1.485   4.922
  348    HD2  LYS   9           HD3      LYS   9  13.623   0.836   4.185
  349    HD3  LYS   9           HD2      LYS   9  12.382   1.288   5.356
  350    HE2  LYS   9           HE3      LYS   9  15.058   0.082   6.047
  351    HE3  LYS   9           HE2      LYS   9  14.679   1.801   6.123
  352    HZ1  LYS   9           HZ1      LYS   9  13.002   1.330   7.788
  353    HZ2  LYS   9           HZ2      LYS   9  14.502   0.738   8.292
  354    HZ3  LYS   9           HZ3      LYS   9  13.330  -0.328   7.702
  355    H    VAL  10           H        VAL  10  12.023  -2.557   1.737
  356    HA   VAL  10           HA       VAL  10   9.963  -1.787   0.036
  357    HB   VAL  10           HB       VAL  10  12.185  -3.760  -0.557
  358   HG11  VAL  10          HG11      VAL  10  10.478  -2.111  -2.419
  359   HG12  VAL  10          HG12      VAL  10  10.413  -3.862  -2.222
  360   HG13  VAL  10          HG13      VAL  10  11.855  -3.102  -2.898
  361   HG21  VAL  10          HG21      VAL  10  13.077  -1.656   0.242
  362   HG22  VAL  10          HG22      VAL  10  12.068  -0.767  -0.898
  363   HG23  VAL  10          HG23      VAL  10  13.361  -1.809  -1.492
  364    H    GLU  11           H        GLU  11  10.926  -4.887   1.288
  365    HA   GLU  11           HA       GLU  11   8.998  -6.450  -0.115
  366    HB2  GLU  11           HB3      GLU  11  11.062  -7.412   0.798
  367    HB3  GLU  11           HB2      GLU  11  10.498  -7.084   2.430
  368    HG2  GLU  11           HG3      GLU  11   8.603  -8.606   2.052
  369    HG3  GLU  11           HG2      GLU  11   9.241  -8.968   0.450
  370    H    GLU  12           H        GLU  12   9.119  -5.289   3.273
  371    HA   GLU  12           HA       GLU  12   6.696  -6.451   4.092
  372    HB2  GLU  12           HB3      GLU  12   8.421  -5.534   5.617
  373    HB3  GLU  12           HB2      GLU  12   7.983  -3.909   5.109
  374    HG2  GLU  12           HG3      GLU  12   6.970  -4.383   7.227
  375    HG3  GLU  12           HG2      GLU  12   5.714  -4.276   5.995
  376    H    LEU  13           H        LEU  13   7.322  -3.075   3.236
  377    HA   LEU  13           HA       LEU  13   4.766  -2.083   3.271
  378    HB2  LEU  13           HB3      LEU  13   7.029  -1.345   1.423
  379    HB3  LEU  13           HB2      LEU  13   5.574  -0.390   1.639
  380    HG   LEU  13           HG       LEU  13   7.565  -1.013   3.823
  381   HD11  LEU  13          HD11      LEU  13   8.155   1.373   3.626
  382   HD12  LEU  13          HD12      LEU  13   7.134   1.482   2.192
  383   HD13  LEU  13          HD13      LEU  13   8.561   0.445   2.182
  384   HD21  LEU  13          HD21      LEU  13   6.337   0.720   5.065
  385   HD22  LEU  13          HD22      LEU  13   5.330  -0.679   4.694
  386   HD23  LEU  13          HD23      LEU  13   5.159   0.804   3.757
  387    H    LEU  14           H        LEU  14   6.384  -3.667   0.518
  388    HA   LEU  14           HA       LEU  14   4.266  -3.276  -1.296
  389    HB2  LEU  14           HB3      LEU  14   6.504  -3.784  -2.079
  390    HB3  LEU  14           HB2      LEU  14   6.466  -5.348  -1.294
  391    HG   LEU  14           HG       LEU  14   4.631  -6.032  -2.825
  392   HD11  LEU  14          HD11      LEU  14   3.693  -3.873  -3.362
  393   HD12  LEU  14          HD12      LEU  14   4.235  -4.669  -4.840
  394   HD13  LEU  14          HD13      LEU  14   5.202  -3.377  -4.131
  395   HD21  LEU  14          HD21      LEU  14   7.161  -5.076  -4.158
  396   HD22  LEU  14          HD22      LEU  14   6.049  -6.284  -4.802
  397   HD23  LEU  14          HD23      LEU  14   6.941  -6.611  -3.317
  398    H    SER  15           H        SER  15   5.085  -6.003   0.850
  399    HA   SER  15           HA       SER  15   3.010  -7.713   0.083
  400    HB2  SER  15           HB3      SER  15   4.138  -7.375   2.873
  401    HB3  SER  15           HB2      SER  15   3.341  -8.809   2.222
  402    HG   SER  15           HG       SER  15   5.877  -7.731   1.576
  403    H    LYS  16           H        LYS  16   3.090  -5.146   2.532
  404    HA   LYS  16           HA       LYS  16   0.395  -5.477   3.362
  405    HB2  LYS  16           HB3      LYS  16   2.152  -4.349   4.715
  406    HB3  LYS  16           HB2      LYS  16   2.151  -3.020   3.567
  407    HG2  LYS  16           HG3      LYS  16  -0.221  -2.598   4.117
  408    HG3  LYS  16           HG2      LYS  16  -0.131  -3.867   5.339
  409    HD2  LYS  16           HD3      LYS  16   1.648  -2.626   6.485
  410    HD3  LYS  16           HD2      LYS  16   1.526  -1.348   5.274
  411    HE2  LYS  16           HE3      LYS  16   0.304  -0.728   7.275
  412    HE3  LYS  16           HE2      LYS  16  -0.810  -0.970   5.931
  413    HZ1  LYS  16           HZ1      LYS  16  -1.645  -1.980   7.951
  414    HZ2  LYS  16           HZ2      LYS  16  -0.254  -2.926   8.096
  415    HZ3  LYS  16           HZ3      LYS  16  -1.313  -3.173   6.802
  416    H    ASN  17           H        ASN  17   1.992  -3.335   1.055
  417    HA   ASN  17           HA       ASN  17  -0.124  -1.736   0.252
  418    HB2  ASN  17           HB3      ASN  17   2.261  -1.486  -0.457
  419    HB3  ASN  17           HB2      ASN  17   2.067  -2.886  -1.499
  420   HD21  ASN  17          HD21      ASN  17   1.377   0.503  -1.105
  421   HD22  ASN  17          HD22      ASN  17   0.731   0.742  -2.685
  422    H    TYR  18           H        TYR  18   0.910  -4.853  -1.106
  423    HA   TYR  18           HA       TYR  18  -1.025  -5.201  -3.028
  424    HB2  TYR  18           HB3      TYR  18   1.052  -6.653  -2.176
  425    HB3  TYR  18           HB2      TYR  18  -0.242  -7.562  -1.398
  426    HD1  TYR  18           HD1      TYR  18   1.038  -6.369  -4.637
  427    HD2  TYR  18           HD2      TYR  18  -1.643  -9.008  -2.655
  428    HE1  TYR  18           HE1      TYR  18   0.609  -7.510  -6.755
  429    HE2  TYR  18           HE2      TYR  18  -2.080 -10.162  -4.778
  430    HH   TYR  18           HH       TYR  18  -1.959  -9.687  -7.192
  431    H    HIS  19           H        HIS  19  -1.153  -6.085   0.406
  432    HA   HIS  19           HA       HIS  19  -3.673  -7.347   0.319
  433    HB2  HIS  19           HB3      HIS  19  -2.292  -6.001   2.651
  434    HB3  HIS  19           HB2      HIS  19  -3.686  -7.066   2.781
  435    HD1  HIS  19           HD1      HIS  19  -0.906  -7.625   4.126
  436    HD2  HIS  19           HD2      HIS  19  -2.224  -9.253   0.540
  437    HE1  HIS  19           HE1      HIS  19   0.432  -9.725   3.808
  438    HE2  HIS  19           HE2      HIS  19  -0.232 -10.568   1.531
  439    H    LEU  20           H        LEU  20  -2.718  -4.023   1.082
  440    HA   LEU  20           HA       LEU  20  -5.300  -3.109   1.745
  441    HB2  LEU  20           HB3      LEU  20  -2.966  -1.543   0.651
  442    HB3  LEU  20           HB2      LEU  20  -4.410  -0.850   1.357
  443    HG   LEU  20           HG       LEU  20  -2.414  -2.572   2.827
  444   HD11  LEU  20          HD11      LEU  20  -2.955   0.383   2.922
  445   HD12  LEU  20          HD12      LEU  20  -1.497  -0.401   2.314
  446   HD13  LEU  20          HD13      LEU  20  -1.899  -0.494   4.029
  447   HD21  LEU  20          HD21      LEU  20  -4.859  -1.109   3.810
  448   HD22  LEU  20          HD22      LEU  20  -3.680  -1.940   4.823
  449   HD23  LEU  20          HD23      LEU  20  -4.672  -2.858   3.690
  450    H    GLU  21           H        GLU  21  -3.512  -3.133  -1.322
  451    HA   GLU  21           HA       GLU  21  -5.392  -1.646  -2.777
  452    HB2  GLU  21           HB3      GLU  21  -2.967  -2.454  -3.415
  453    HB3  GLU  21           HB2      GLU  21  -3.825  -3.820  -4.113
  454    HG2  GLU  21           HG3      GLU  21  -5.211  -2.147  -5.390
  455    HG3  GLU  21           HG2      GLU  21  -4.072  -0.916  -4.843
  456    H    ASN  22           H        ASN  22  -5.132  -5.084  -2.099
  457    HA   ASN  22           HA       ASN  22  -7.182  -6.010  -3.775
  458    HB2  ASN  22           HB3      ASN  22  -6.228  -7.078  -1.111
  459    HB3  ASN  22           HB2      ASN  22  -7.368  -7.918  -2.153
  460   HD21  ASN  22          HD21      ASN  22  -4.821  -8.838  -1.263
  461   HD22  ASN  22          HD22      ASN  22  -3.855  -9.098  -2.671
  462    H    GLU  23           H        GLU  23  -7.268  -4.896  -0.404
  463    HA   GLU  23           HA       GLU  23 -10.048  -5.301  -0.075
  464    HB2  GLU  23           HB3      GLU  23  -8.134  -3.508   1.419
  465    HB3  GLU  23           HB2      GLU  23  -9.807  -3.768   1.892
  466    HG2  GLU  23           HG3      GLU  23  -9.237  -6.243   1.960
  467    HG3  GLU  23           HG2      GLU  23  -7.551  -5.740   1.864
  468    H    VAL  24           H        VAL  24  -8.132  -2.481  -1.059
  469    HA   VAL  24           HA       VAL  24 -10.127  -0.559  -1.168
  470    HB   VAL  24           HB       VAL  24  -7.861  -0.934  -3.135
  471   HG11  VAL  24          HG11      VAL  24  -9.575   1.486  -2.592
  472   HG12  VAL  24          HG12      VAL  24  -9.577   0.513  -4.061
  473   HG13  VAL  24          HG13      VAL  24  -8.150   1.453  -3.629
  474   HG21  VAL  24          HG21      VAL  24  -8.073   0.734  -0.634
  475   HG22  VAL  24          HG22      VAL  24  -6.736   0.790  -1.781
  476   HG23  VAL  24          HG23      VAL  24  -7.054  -0.686  -0.869
  477    H    ALA  25           H        ALA  25  -9.080  -2.763  -3.757
  478    HA   ALA  25           HA       ALA  25 -10.989  -2.034  -5.665
  479    HB1  ALA  25           HB1      ALA  25 -10.422  -4.108  -6.789
  480    HB2  ALA  25           HB2      ALA  25  -9.647  -4.708  -5.323
  481    HB3  ALA  25           HB3      ALA  25  -8.970  -3.318  -6.173
  482    H    ARG  26           H        ARG  26 -11.054  -4.733  -3.333
  483    HA   ARG  26           HA       ARG  26 -13.486  -5.840  -4.147
  484    HB2  ARG  26           HB3      ARG  26 -11.910  -6.988  -2.655
  485    HB3  ARG  26           HB2      ARG  26 -12.258  -5.824  -1.384
  486    HG2  ARG  26           HG3      ARG  26 -14.578  -6.597  -1.311
  487    HG3  ARG  26           HG2      ARG  26 -14.227  -7.765  -2.587
  488    HD2  ARG  26           HD2      ARG  26 -12.573  -8.841  -1.136
  489    HD3  ARG  26           HD1      ARG  26 -12.935  -7.678   0.137
  490    HE   ARG  26           HE       ARG  26 -15.303  -8.986  -0.665
  491   HH11  ARG  26          HH11      ARG  26 -12.337  -9.568   1.102
  492   HH12  ARG  26          HH12      ARG  26 -13.033 -10.792   2.115
  493   HH21  ARG  26          HH21      ARG  26 -16.218 -10.603   0.657
  494   HH22  ARG  26          HH22      ARG  26 -15.245 -11.376   1.865
  495    H    LEU  27           H        LEU  27 -12.864  -3.618  -1.427
  496    HA   LEU  27           HA       LEU  27 -15.534  -3.321  -0.653
  497    HB2  LEU  27           HB3      LEU  27 -13.219  -1.407  -0.359
  498    HB3  LEU  27           HB2      LEU  27 -14.752  -1.246   0.473
  499    HG   LEU  27           HG       LEU  27 -12.883  -3.584   0.791
  500   HD11  LEU  27          HD11      LEU  27 -13.330  -1.204   2.577
  501   HD12  LEU  27          HD12      LEU  27 -11.866  -1.565   1.663
  502   HD13  LEU  27          HD13      LEU  27 -12.366  -2.623   2.981
  503   HD21  LEU  27          HD21      LEU  27 -14.283  -4.123   2.721
  504   HD22  LEU  27          HD22      LEU  27 -15.215  -4.139   1.223
  505   HD23  LEU  27          HD23      LEU  27 -15.340  -2.768   2.327
  506    H    LYS  28           H        LYS  28 -13.759  -1.829  -3.234
  507    HA   LYS  28           HA       LYS  28 -15.459   0.446  -3.526
  508    HB2  LYS  28           HB3      LYS  28 -13.056   0.312  -4.245
  509    HB3  LYS  28           HB2      LYS  28 -13.567  -0.740  -5.554
  510    HG2  LYS  28           HG3      LYS  28 -14.754   0.981  -6.622
  511    HG3  LYS  28           HG2      LYS  28 -14.703   2.011  -5.191
  512    HD2  LYS  28           HD3      LYS  28 -12.275   1.168  -6.780
  513    HD3  LYS  28           HD2      LYS  28 -13.130   2.714  -6.989
  514    HE2  LYS  28           HE3      LYS  28 -12.684   3.220  -4.600
  515    HE3  LYS  28           HE2      LYS  28 -11.744   1.734  -4.485
  516    HZ1  LYS  28           HZ1      LYS  28 -11.135   4.020  -6.277
  517    HZ2  LYS  28           HZ2      LYS  28 -10.225   2.601  -6.144
  518    HZ3  LYS  28           HZ3      LYS  28 -10.329   3.664  -4.829
  519    H    LYS  29           H        LYS  29 -15.049  -2.570  -5.421
  520    HA   LYS  29           HA       LYS  29 -17.282  -2.162  -7.081
  521    HB2  LYS  29           HB3      LYS  29 -15.748  -4.601  -6.217
  522    HB3  LYS  29           HB2      LYS  29 -17.221  -4.788  -7.147
  523    HG2  LYS  29           HG3      LYS  29 -15.141  -4.888  -8.485
  524    HG3  LYS  29           HG2      LYS  29 -16.260  -3.648  -9.033
  525    HD2  LYS  29           HD3      LYS  29 -14.918  -1.967  -7.791
  526    HD3  LYS  29           HD2      LYS  29 -13.779  -3.244  -7.356
  527    HE2  LYS  29           HE3      LYS  29 -14.464  -2.359 -10.159
  528    HE3  LYS  29           HE2      LYS  29 -12.990  -1.954  -9.281
  529    HZ1  LYS  29           HZ1      LYS  29 -13.840  -4.697 -10.041
  530    HZ2  LYS  29           HZ2      LYS  29 -12.416  -4.298  -9.225
  531    HZ3  LYS  29           HZ3      LYS  29 -12.647  -3.789 -10.818
  532    H    LEU  30           H        LEU  30 -16.990  -3.397  -3.829
  533    HA   LEU  30           HA       LEU  30 -19.613  -4.491  -3.685
  534    HB2  LEU  30           HB3      LEU  30 -17.413  -3.985  -1.788
  535    HB3  LEU  30           HB2      LEU  30 -19.020  -3.985  -1.091
  536    HG   LEU  30           HG       LEU  30 -17.948  -6.179  -0.905
  537   HD11  LEU  30          HD11      LEU  30 -20.279  -6.166  -2.814
  538   HD12  LEU  30          HD12      LEU  30 -20.377  -6.053  -1.057
  539   HD13  LEU  30          HD13      LEU  30 -19.763  -7.523  -1.815
  540   HD21  LEU  30          HD21      LEU  30 -17.984  -6.188  -3.919
  541   HD22  LEU  30          HD22      LEU  30 -17.546  -7.545  -2.883
  542   HD23  LEU  30          HD23      LEU  30 -16.548  -6.091  -2.901
  543    H    VAL  31           H        VAL  31 -18.262  -1.483  -2.252
  544    HA   VAL  31           HA       VAL  31 -20.795  -0.558  -1.418
  545    HB   VAL  31           HB       VAL  31 -18.576   0.170  -0.491
  546   HG11  VAL  31          HG11      VAL  31 -18.540   1.925  -2.939
  547   HG12  VAL  31          HG12      VAL  31 -17.392   0.648  -2.538
  548   HG13  VAL  31          HG13      VAL  31 -17.477   2.101  -1.543
  549   HG21  VAL  31          HG21      VAL  31 -20.612   1.278   0.151
  550   HG22  VAL  31          HG22      VAL  31 -20.547   2.301  -1.282
  551   HG23  VAL  31          HG23      VAL  31 -19.324   2.468  -0.024
  552    H    GLY  32           H        GLY  32 -19.048  -0.171  -4.449
  553    HA2  GLY  32           HA3      GLY  32 -20.526   0.199  -6.394
  554    HA3  GLY  32           HA2      GLY  32 -21.310   1.448  -5.436
  555    H    GLU  33           H        GLU  33 -19.702   1.364  -8.046
  556    HA   GLU  33           HA       GLU  33 -18.372   3.878  -7.613
  557    HB2  GLU  33           HB3      GLU  33 -16.637   2.175  -6.990
  558    HB3  GLU  33           HB2      GLU  33 -16.750   1.529  -8.621
  559    HG2  GLU  33           HG3      GLU  33 -14.832   2.966  -8.445
  560    HG3  GLU  33           HG2      GLU  33 -16.027   3.701  -9.512
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  21.605  -1.931  -8.140
    2    H2   GLY   1           H2       GLY   1  21.388  -2.059  -6.469
    3    H3   GLY   1           H3       GLY   1  22.937  -1.829  -7.103
    4    HA2  GLY   1           HA2      GLY   1  22.302   0.359  -7.917
    5    HA3  GLY   1           HA3      GLY   1  20.701   0.112  -7.233
    6    H    SER   2           H        SER   2  21.795   2.285  -6.333
    7    HA   SER   2           HA       SER   2  23.492   1.837  -4.054
    8    HB2  SER   2           HB3      SER   2  23.188   4.290  -3.698
    9    HB3  SER   2           HB2      SER   2  23.753   3.890  -5.320
   10    HG   SER   2           HG       SER   2  22.105   5.305  -5.615
   11    H    MET   3           H        MET   3  22.784   2.946  -1.921
   12    HA   MET   3           HA       MET   3  20.507   1.576  -0.946
   13    HB2  MET   3           HB3      MET   3  22.148   3.805   0.262
   14    HB3  MET   3           HB2      MET   3  20.868   2.960   1.121
   15    HG2  MET   3           HG3      MET   3  22.074   0.859   0.868
   16    HG3  MET   3           HG2      MET   3  23.354   1.696  -0.008
   17    HE1  MET   3           HE1      MET   3  23.842  -0.170   2.532
   18    HE2  MET   3           HE2      MET   3  25.021   0.785   3.430
   19    HE3  MET   3           HE3      MET   3  25.146   0.651   1.675
   20    H    LYS   4           H        LYS   4  21.063   4.867  -2.045
   21    HA   LYS   4           HA       LYS   4  18.588   5.933  -1.231
   22    HB2  LYS   4           HB3      LYS   4  20.605   6.730  -3.291
   23    HB3  LYS   4           HB2      LYS   4  19.066   7.569  -3.195
   24    HG2  LYS   4           HG3      LYS   4  21.041   7.297  -0.937
   25    HG3  LYS   4           HG2      LYS   4  20.831   8.725  -1.955
   26    HD2  LYS   4           HD3      LYS   4  18.480   8.871  -1.202
   27    HD3  LYS   4           HD2      LYS   4  18.763   7.505  -0.125
   28    HE2  LYS   4           HE3      LYS   4  20.476   8.794   1.053
   29    HE3  LYS   4           HE2      LYS   4  20.188  10.160  -0.023
   30    HZ1  LYS   4           HZ1      LYS   4  19.020  10.451   2.055
   31    HZ2  LYS   4           HZ2      LYS   4  18.215   8.979   1.854
   32    HZ3  LYS   4           HZ3      LYS   4  17.906  10.258   0.796
   33    H    GLN   5           H        GLN   5  19.527   4.157  -4.133
   34    HA   GLN   5           HA       GLN   5  17.157   4.579  -5.593
   35    HB2  GLN   5           HB3      GLN   5  19.098   2.266  -5.593
   36    HB3  GLN   5           HB2      GLN   5  17.758   2.401  -6.723
   37    HG2  GLN   5           HG3      GLN   5  20.005   4.382  -6.435
   38    HG3  GLN   5           HG2      GLN   5  19.879   3.146  -7.686
   39   HE21  GLN   5          HE21      GLN   5  18.662   6.178  -6.516
   40   HE22  GLN   5          HE22      GLN   5  17.767   6.597  -7.934
   41    H    LEU   6           H        LEU   6  18.031   2.232  -3.131
   42    HA   LEU   6           HA       LEU   6  15.569   0.777  -3.267
   43    HB2  LEU   6           HB3      LEU   6  17.645   0.919  -1.071
   44    HB3  LEU   6           HB2      LEU   6  16.276  -0.175  -1.078
   45    HG   LEU   6           HG       LEU   6  18.431  -0.185  -3.193
   46   HD11  LEU   6          HD11      LEU   6  19.350  -0.758  -0.996
   47   HD12  LEU   6          HD12      LEU   6  19.305  -2.152  -2.075
   48   HD13  LEU   6          HD13      LEU   6  18.098  -1.985  -0.800
   49   HD21  LEU   6          HD21      LEU   6  17.489  -2.384  -3.728
   50   HD22  LEU   6          HD22      LEU   6  16.303  -1.096  -3.936
   51   HD23  LEU   6          HD23      LEU   6  16.234  -2.136  -2.513
   52    H    GLU   7           H        GLU   7  16.793   3.480  -1.406
   53    HA   GLU   7           HA       GLU   7  14.762   3.708   0.493
   54    HB2  GLU   7           HB3      GLU   7  16.978   4.899   0.464
   55    HB3  GLU   7           HB2      GLU   7  16.334   5.952  -0.788
   56    HG2  GLU   7           HG3      GLU   7  16.135   7.136   1.223
   57    HG3  GLU   7           HG2      GLU   7  14.506   6.547   0.823
   58    H    ASP   8           H        ASP   8  15.043   4.926  -2.813
   59    HA   ASP   8           HA       ASP   8  12.711   6.495  -2.866
   60    HB2  ASP   8           HB3      ASP   8  14.127   5.005  -5.080
   61    HB3  ASP   8           HB2      ASP   8  12.764   6.079  -5.360
   62    H    LYS   9           H        LYS   9  13.232   3.087  -3.647
   63    HA   LYS   9           HA       LYS   9  10.584   2.404  -4.321
   64    HB2  LYS   9           HB3      LYS   9  12.263   0.508  -2.696
   65    HB3  LYS   9           HB2      LYS   9  11.089   0.150  -3.950
   66    HG2  LYS   9           HG3      LYS   9  12.622   1.154  -5.629
   67    HG3  LYS   9           HG2      LYS   9  13.835   1.298  -4.356
   68    HD2  LYS   9           HD3      LYS   9  13.812  -1.102  -4.021
   69    HD3  LYS   9           HD2      LYS   9  12.523  -1.280  -5.212
   70    HE2  LYS   9           HE3      LYS   9  14.050  -0.348  -6.930
   71    HE3  LYS   9           HE2      LYS   9  15.335  -0.314  -5.723
   72    HZ1  LYS   9           HZ1      LYS   9  13.912  -2.737  -6.684
   73    HZ2  LYS   9           HZ2      LYS   9  15.107  -2.725  -5.493
   74    HZ3  LYS   9           HZ3      LYS   9  15.492  -2.291  -7.080
   75    H    VAL  10           H        VAL  10  12.195   2.325  -1.180
   76    HA   VAL  10           HA       VAL  10  10.120   1.358   0.417
   77    HB   VAL  10           HB       VAL  10  12.225   3.400   1.180
   78   HG11  VAL  10          HG11      VAL  10  11.861   2.603   3.473
   79   HG12  VAL  10          HG12      VAL  10  10.547   1.576   2.901
   80   HG13  VAL  10          HG13      VAL  10  10.406   3.330   2.792
   81   HG21  VAL  10          HG21      VAL  10  13.483   1.476   2.037
   82   HG22  VAL  10          HG22      VAL  10  13.233   1.376   0.295
   83   HG23  VAL  10          HG23      VAL  10  12.255   0.392   1.384
   84    H    GLU  11           H        GLU  11  10.940   4.518  -0.749
   85    HA   GLU  11           HA       GLU  11   8.932   5.972   0.662
   86    HB2  GLU  11           HB3      GLU  11  10.936   7.067  -0.176
   87    HB3  GLU  11           HB2      GLU  11  10.490   6.673  -1.829
   88    HG2  GLU  11           HG3      GLU  11   8.511   8.095  -1.627
   89    HG3  GLU  11           HG2      GLU  11   8.984   8.505   0.022
   90    H    GLU  12           H        GLU  12   9.143   4.857  -2.740
   91    HA   GLU  12           HA       GLU  12   6.735   5.995  -3.603
   92    HB2  GLU  12           HB3      GLU  12   8.583   4.996  -5.016
   93    HB3  GLU  12           HB2      GLU  12   7.913   3.415  -4.638
   94    HG2  GLU  12           HG3      GLU  12   7.132   4.118  -6.793
   95    HG3  GLU  12           HG2      GLU  12   5.781   4.110  -5.661
   96    H    LEU  13           H        LEU  13   7.342   2.637  -2.646
   97    HA   LEU  13           HA       LEU  13   4.745   1.680  -2.731
   98    HB2  LEU  13           HB3      LEU  13   7.003   0.869  -0.907
   99    HB3  LEU  13           HB2      LEU  13   5.528  -0.051  -1.131
  100    HG   LEU  13           HG       LEU  13   7.533   0.558  -3.304
  101   HD11  LEU  13          HD11      LEU  13   8.091  -1.821  -3.146
  102   HD12  LEU  13          HD12      LEU  13   7.013  -1.973  -1.758
  103   HD13  LEU  13          HD13      LEU  13   8.451  -0.958  -1.650
  104   HD21  LEU  13          HD21      LEU  13   6.257  -1.121  -4.581
  105   HD22  LEU  13          HD22      LEU  13   5.297   0.305  -4.194
  106   HD23  LEU  13          HD23      LEU  13   5.071  -1.185  -3.278
  107    H    LEU  14           H        LEU  14   6.391   3.294  -0.035
  108    HA   LEU  14           HA       LEU  14   4.366   2.927   1.861
  109    HB2  LEU  14           HB3      LEU  14   6.618   3.594   2.493
  110    HB3  LEU  14           HB2      LEU  14   6.436   5.117   1.651
  111    HG   LEU  14           HG       LEU  14   4.657   5.760   3.257
  112   HD11  LEU  14          HD11      LEU  14   5.435   3.185   4.619
  113   HD12  LEU  14          HD12      LEU  14   3.860   3.584   3.929
  114   HD13  LEU  14          HD13      LEU  14   4.449   4.455   5.343
  115   HD21  LEU  14          HD21      LEU  14   6.969   6.464   3.596
  116   HD22  LEU  14          HD22      LEU  14   7.290   4.988   4.505
  117   HD23  LEU  14          HD23      LEU  14   6.155   6.181   5.134
  118    H    SER  15           H        SER  15   4.952   5.523  -0.491
  119    HA   SER  15           HA       SER  15   2.715   7.089   0.290
  120    HB2  SER  15           HB3      SER  15   4.658   7.934  -1.058
  121    HB3  SER  15           HB2      SER  15   4.063   6.991  -2.423
  122    HG   SER  15           HG       SER  15   3.392   9.230  -2.408
  123    H    LYS  16           H        LYS  16   3.231   4.446  -1.942
  124    HA   LYS  16           HA       LYS  16   0.706   4.453  -3.197
  125    HB2  LYS  16           HB3      LYS  16   2.614   3.187  -4.073
  126    HB3  LYS  16           HB2      LYS  16   2.609   2.164  -2.645
  127    HG2  LYS  16           HG3      LYS  16   1.615   0.996  -4.495
  128    HG3  LYS  16           HG2      LYS  16   0.387   1.327  -3.273
  129    HD2  LYS  16           HD3      LYS  16  -0.431   3.210  -4.580
  130    HD3  LYS  16           HD2      LYS  16   0.828   2.939  -5.787
  131    HE2  LYS  16           HE3      LYS  16  -1.289   0.925  -5.049
  132    HE3  LYS  16           HE2      LYS  16  -1.403   2.026  -6.420
  133    HZ1  LYS  16           HZ1      LYS  16   0.438   0.993  -7.449
  134    HZ2  LYS  16           HZ2      LYS  16  -0.579  -0.257  -6.937
  135    HZ3  LYS  16           HZ3      LYS  16   0.824   0.103  -6.066
  136    H    ASN  17           H        ASN  17   1.958   2.620  -0.401
  137    HA   ASN  17           HA       ASN  17  -0.368   1.249   0.280
  138    HB2  ASN  17           HB3      ASN  17   1.836   0.873   1.342
  139    HB3  ASN  17           HB2      ASN  17   1.674   2.391   2.195
  140   HD21  ASN  17          HD21      ASN  17   1.589   1.593   4.285
  141   HD22  ASN  17          HD22      ASN  17   0.290   0.611   4.850
  142    H    TYR  18           H        TYR  18   0.728   4.446   1.275
  143    HA   TYR  18           HA       TYR  18  -1.181   5.139   3.113
  144    HB2  TYR  18           HB3      TYR  18   0.902   6.405   2.023
  145    HB3  TYR  18           HB2      TYR  18  -0.386   7.203   1.126
  146    HD1  TYR  18           HD1      TYR  18   1.118   6.685   4.406
  147    HD2  TYR  18           HD2      TYR  18  -1.955   8.677   2.251
  148    HE1  TYR  18           HE1      TYR  18   0.737   8.152   6.325
  149    HE2  TYR  18           HE2      TYR  18  -2.346  10.157   4.168
  150    HH   TYR  18           HH       TYR  18  -0.195  10.372   6.801
  151    H    HIS  19           H        HIS  19  -1.395   5.274  -0.404
  152    HA   HIS  19           HA       HIS  19  -3.877   6.601  -0.571
  153    HB2  HIS  19           HB3      HIS  19  -2.314   6.349  -2.477
  154    HB3  HIS  19           HB2      HIS  19  -2.657   4.623  -2.516
  155    HD1  HIS  19           HD1      HIS  19  -3.898   7.878  -3.697
  156    HD2  HIS  19           HD2      HIS  19  -5.307   3.980  -3.421
  157    HE1  HIS  19           HE1      HIS  19  -5.911   7.780  -5.201
  158    HE2  HIS  19           HE2      HIS  19  -6.652   5.372  -5.132
  159    H    LEU  20           H        LEU  20  -3.091   3.131  -0.756
  160    HA   LEU  20           HA       LEU  20  -5.822   2.374  -1.017
  161    HB2  LEU  20           HB3      LEU  20  -3.418   0.677  -0.328
  162    HB3  LEU  20           HB2      LEU  20  -5.026   0.053  -0.591
  163    HG   LEU  20           HG       LEU  20  -3.759  -0.315  -2.578
  164   HD11  LEU  20          HD11      LEU  20  -6.091   0.317  -2.892
  165   HD12  LEU  20          HD12      LEU  20  -5.088   0.843  -4.242
  166   HD13  LEU  20          HD13      LEU  20  -5.616   2.007  -3.028
  167   HD21  LEU  20          HD21      LEU  20  -2.012   1.321  -2.310
  168   HD22  LEU  20          HD22      LEU  20  -3.163   2.630  -2.576
  169   HD23  LEU  20          HD23      LEU  20  -2.783   1.511  -3.885
  170    H    GLU  21           H        GLU  21  -3.617   2.626   1.702
  171    HA   GLU  21           HA       GLU  21  -5.209   1.238   3.562
  172    HB2  GLU  21           HB3      GLU  21  -2.742   1.973   3.744
  173    HB3  GLU  21           HB2      GLU  21  -3.378   3.518   4.290
  174    HG2  GLU  21           HG3      GLU  21  -4.521   2.359   6.143
  175    HG3  GLU  21           HG2      GLU  21  -3.797   0.842   5.616
  176    H    ASN  22           H        ASN  22  -5.281   4.536   2.403
  177    HA   ASN  22           HA       ASN  22  -7.199   5.434   4.346
  178    HB2  ASN  22           HB3      ASN  22  -6.207   6.608   1.753
  179    HB3  ASN  22           HB2      ASN  22  -7.492   7.360   2.689
  180   HD21  ASN  22          HD21      ASN  22  -4.918   8.431   2.027
  181   HD22  ASN  22          HD22      ASN  22  -4.115   8.757   3.521
  182    H    GLU  23           H        GLU  23  -7.342   4.486   0.918
  183    HA   GLU  23           HA       GLU  23 -10.085   4.860   0.557
  184    HB2  GLU  23           HB3      GLU  23  -7.962   3.353  -0.839
  185    HB3  GLU  23           HB2      GLU  23  -9.606   2.801  -1.137
  186    HG2  GLU  23           HG3      GLU  23  -8.749   4.456  -2.781
  187    HG3  GLU  23           HG2      GLU  23 -10.253   4.916  -1.990
  188    H    VAL  24           H        VAL  24  -8.313   1.984   1.669
  189    HA   VAL  24           HA       VAL  24 -10.441   0.218   1.882
  190    HB   VAL  24           HB       VAL  24  -7.991   0.473   3.626
  191   HG11  VAL  24          HG11      VAL  24 -10.035  -1.750   3.603
  192   HG12  VAL  24          HG12      VAL  24  -9.753  -0.618   4.926
  193   HG13  VAL  24          HG13      VAL  24  -8.500  -1.772   4.471
  194   HG21  VAL  24          HG21      VAL  24  -7.354  -1.594   2.376
  195   HG22  VAL  24          HG22      VAL  24  -7.475  -0.144   1.382
  196   HG23  VAL  24          HG23      VAL  24  -8.769  -1.342   1.354
  197    H    ALA  25           H        ALA  25  -9.183   2.469   4.335
  198    HA   ALA  25           HA       ALA  25 -10.968   1.861   6.387
  199    HB1  ALA  25           HB1      ALA  25  -8.913   3.133   6.705
  200    HB2  ALA  25           HB2      ALA  25 -10.308   3.975   7.377
  201    HB3  ALA  25           HB3      ALA  25  -9.622   4.493   5.837
  202    H    ARG  26           H        ARG  26 -11.307   4.212   3.754
  203    HA   ARG  26           HA       ARG  26 -13.688   5.383   4.788
  204    HB2  ARG  26           HB3      ARG  26 -12.671   5.344   1.939
  205    HB3  ARG  26           HB2      ARG  26 -13.931   6.397   2.567
  206    HG2  ARG  26           HG3      ARG  26 -12.217   7.310   4.164
  207    HG3  ARG  26           HG2      ARG  26 -11.010   6.407   3.243
  208    HD2  ARG  26           HD2      ARG  26 -12.865   8.503   2.119
  209    HD3  ARG  26           HD1      ARG  26 -11.171   8.756   2.528
  210    HE   ARG  26           HE       ARG  26 -10.579   7.244   0.741
  211   HH11  ARG  26          HH11      ARG  26 -13.935   8.267   0.783
  212   HH12  ARG  26          HH12      ARG  26 -14.161   8.005  -0.912
  213   HH21  ARG  26          HH21      ARG  26 -10.870   6.910  -1.470
  214   HH22  ARG  26          HH22      ARG  26 -12.416   7.222  -2.204
  215    H    LEU  27           H        LEU  27 -13.068   3.084   2.156
  216    HA   LEU  27           HA       LEU  27 -15.756   2.596   1.515
  217    HB2  LEU  27           HB3      LEU  27 -13.372   0.774   1.211
  218    HB3  LEU  27           HB2      LEU  27 -14.922   0.543   0.432
  219    HG   LEU  27           HG       LEU  27 -13.119   2.910  -0.036
  220   HD11  LEU  27          HD11      LEU  27 -13.592   0.474  -1.743
  221   HD12  LEU  27          HD12      LEU  27 -12.113   0.848  -0.860
  222   HD13  LEU  27          HD13      LEU  27 -12.629   1.882  -2.190
  223   HD21  LEU  27          HD21      LEU  27 -15.614   1.990  -1.452
  224   HD22  LEU  27          HD22      LEU  27 -14.597   3.345  -1.938
  225   HD23  LEU  27          HD23      LEU  27 -15.476   3.406  -0.411
  226    H    LYS  28           H        LYS  28 -13.862   1.474   4.168
  227    HA   LYS  28           HA       LYS  28 -15.296  -0.967   4.573
  228    HB2  LYS  28           HB3      LYS  28 -12.961  -0.725   5.278
  229    HB3  LYS  28           HB2      LYS  28 -13.431   0.524   6.421
  230    HG2  LYS  28           HG3      LYS  28 -14.563  -1.010   7.794
  231    HG3  LYS  28           HG2      LYS  28 -14.543  -2.258   6.549
  232    HD2  LYS  28           HD3      LYS  28 -12.017  -1.144   7.747
  233    HD3  LYS  28           HD2      LYS  28 -12.889  -2.513   8.472
  234    HE2  LYS  28           HE3      LYS  28 -11.853  -2.426   5.623
  235    HE3  LYS  28           HE2      LYS  28 -11.030  -3.204   6.977
  236    HZ1  LYS  28           HZ1      LYS  28 -12.969  -4.642   7.259
  237    HZ2  LYS  28           HZ2      LYS  28 -12.282  -4.817   5.727
  238    HZ3  LYS  28           HZ3      LYS  28 -13.708  -3.930   5.914
  239    H    LYS  29           H        LYS  29 -15.236   2.187   6.296
  240    HA   LYS  29           HA       LYS  29 -17.490   1.505   7.885
  241    HB2  LYS  29           HB3      LYS  29 -17.632   4.019   8.252
  242    HB3  LYS  29           HB2      LYS  29 -16.159   3.215   8.767
  243    HG2  LYS  29           HG3      LYS  29 -14.983   4.020   6.832
  244    HG3  LYS  29           HG2      LYS  29 -16.468   4.713   6.176
  245    HD2  LYS  29           HD3      LYS  29 -16.570   6.349   7.867
  246    HD3  LYS  29           HD2      LYS  29 -15.373   5.511   8.857
  247    HE2  LYS  29           HE3      LYS  29 -14.791   6.714   6.158
  248    HE3  LYS  29           HE2      LYS  29 -14.526   7.552   7.685
  249    HZ1  LYS  29           HZ1      LYS  29 -13.252   4.986   6.893
  250    HZ2  LYS  29           HZ2      LYS  29 -12.981   5.828   8.335
  251    HZ3  LYS  29           HZ3      LYS  29 -12.505   6.504   6.863
  252    H    LEU  30           H        LEU  30 -17.189   2.434   4.614
  253    HA   LEU  30           HA       LEU  30 -19.849   3.465   4.322
  254    HB2  LEU  30           HB3      LEU  30 -17.619   2.742   2.493
  255    HB3  LEU  30           HB2      LEU  30 -19.227   2.691   1.810
  256    HG   LEU  30           HG       LEU  30 -19.516   5.017   1.981
  257   HD11  LEU  30          HD11      LEU  30 -18.078   6.491   3.298
  258   HD12  LEU  30          HD12      LEU  30 -17.156   5.098   3.866
  259   HD13  LEU  30          HD13      LEU  30 -18.849   5.281   4.322
  260   HD21  LEU  30          HD21      LEU  30 -17.544   5.985   0.951
  261   HD22  LEU  30          HD22      LEU  30 -17.882   4.387   0.283
  262   HD23  LEU  30          HD23      LEU  30 -16.580   4.597   1.455
  263    H    VAL  31           H        VAL  31 -18.310   0.383   3.345
  264    HA   VAL  31           HA       VAL  31 -20.727  -0.939   2.754
  265    HB   VAL  31           HB       VAL  31 -18.100  -2.140   3.664
  266   HG11  VAL  31          HG11      VAL  31 -20.414  -3.424   2.219
  267   HG12  VAL  31          HG12      VAL  31 -19.932  -3.729   3.887
  268   HG13  VAL  31          HG13      VAL  31 -18.861  -4.186   2.563
  269   HG21  VAL  31          HG21      VAL  31 -19.169  -1.624   0.891
  270   HG22  VAL  31          HG22      VAL  31 -17.675  -2.481   1.272
  271   HG23  VAL  31          HG23      VAL  31 -17.839  -0.771   1.675
  272    H    GLY  32           H        GLY  32 -19.023  -0.430   5.789
  273    HA2  GLY  32           HA3      GLY  32 -20.948  -2.161   7.163
  274    HA3  GLY  32           HA2      GLY  32 -19.438  -1.572   7.837
  275    H    GLU  33           H        GLU  33 -22.273  -0.036   6.339
  276    HA   GLU  33           HA       GLU  33 -22.314   1.977   8.423
  277    HB2  GLU  33           HB3      GLU  33 -23.793   1.553   5.857
  278    HB3  GLU  33           HB2      GLU  33 -24.486   2.616   7.072
  279    HG2  GLU  33           HG3      GLU  33 -21.694   2.934   6.014
  280    HG3  GLU  33           HG2      GLU  33 -23.099   3.719   5.295
  281    H1   GLY   1           H1       GLY   1  21.664   1.695   8.535
  282    H2   GLY   1           H2       GLY   1  21.441   1.836   6.868
  283    H3   GLY   1           H3       GLY   1  22.994   1.621   7.495
  284    HA2  GLY   1           HA2      GLY   1  22.402  -0.578   8.285
  285    HA3  GLY   1           HA3      GLY   1  20.790  -0.354   7.620
  286    H    SER   2           H        SER   2  21.902  -2.501   6.686
  287    HA   SER   2           HA       SER   2  23.568  -2.003   4.393
  288    HB2  SER   2           HB3      SER   2  23.318  -4.452   4.013
  289    HB3  SER   2           HB2      SER   2  23.871  -4.067   5.642
  290    HG   SER   2           HG       SER   2  22.260  -5.465   6.003
  291    H    MET   3           H        MET   3  22.855  -3.097   2.251
  292    HA   MET   3           HA       MET   3  20.540  -1.765   1.320
  293    HB2  MET   3           HB3      MET   3  22.201  -3.960   0.075
  294    HB3  MET   3           HB2      MET   3  20.894  -3.131  -0.760
  295    HG2  MET   3           HG3      MET   3  22.071  -1.009  -0.505
  296    HG3  MET   3           HG2      MET   3  23.379  -1.834   0.338
  297    HE1  MET   3           HE1      MET   3  23.797   0.063  -2.186
  298    HE2  MET   3           HE2      MET   3  24.979  -0.867  -3.107
  299    HE3  MET   3           HE3      MET   3  25.123  -0.749  -1.353
  300    H    LYS   4           H        LYS   4  21.161  -5.059   2.388
  301    HA   LYS   4           HA       LYS   4  18.692  -6.154   1.597
  302    HB2  LYS   4           HB3      LYS   4  20.750  -6.941   3.622
  303    HB3  LYS   4           HB2      LYS   4  19.220  -7.801   3.543
  304    HG2  LYS   4           HG3      LYS   4  21.155  -7.484   1.257
  305    HG3  LYS   4           HG2      LYS   4  20.983  -8.922   2.264
  306    HD2  LYS   4           HD3      LYS   4  18.626  -9.104   1.538
  307    HD3  LYS   4           HD2      LYS   4  18.869  -7.719   0.476
  308    HE2  LYS   4           HE3      LYS   4  20.596  -8.956  -0.738
  309    HE3  LYS   4           HE2      LYS   4  20.342 -10.344   0.321
  310    HZ1  LYS   4           HZ1      LYS   4  19.157 -10.620  -1.749
  311    HZ2  LYS   4           HZ2      LYS   4  18.331  -9.165  -1.517
  312    HZ3  LYS   4           HZ3      LYS   4  18.053 -10.466  -0.478
  313    H    GLN   5           H        GLN   5  19.640  -4.386   4.499
  314    HA   GLN   5           HA       GLN   5  17.295  -4.857   5.987
  315    HB2  GLN   5           HB3      GLN   5  19.199  -2.515   5.979
  316    HB3  GLN   5           HB2      GLN   5  17.878  -2.683   7.127
  317    HG2  GLN   5           HG3      GLN   5  20.153  -4.623   6.793
  318    HG3  GLN   5           HG2      GLN   5  20.026  -3.397   8.053
  319   HE21  GLN   5          HE21      GLN   5  18.834  -6.435   6.878
  320   HE22  GLN   5          HE22      GLN   5  17.983  -6.888   8.313
  321    H    LEU   6           H        LEU   6  18.103  -2.471   3.537
  322    HA   LEU   6           HA       LEU   6  15.621  -1.062   3.718
  323    HB2  LEU   6           HB3      LEU   6  17.668  -1.149   1.495
  324    HB3  LEU   6           HB2      LEU   6  16.284  -0.080   1.529
  325    HG   LEU   6           HG       LEU   6  18.463  -0.052   3.616
  326   HD11  LEU   6          HD11      LEU   6  19.344   0.549   1.412
  327   HD12  LEU   6          HD12      LEU   6  19.296   1.933   2.501
  328   HD13  LEU   6          HD13      LEU   6  18.074   1.759   1.241
  329   HD21  LEU   6          HD21      LEU   6  17.495   2.129   4.181
  330   HD22  LEU   6          HD22      LEU   6  16.331   0.822   4.393
  331   HD23  LEU   6          HD23      LEU   6  16.228   1.872   2.980
  332    H    GLU   7           H        GLU   7  16.858  -3.730   1.817
  333    HA   GLU   7           HA       GLU   7  14.805  -3.967  -0.058
  334    HB2  GLU   7           HB3      GLU   7  17.039  -5.123  -0.073
  335    HB3  GLU   7           HB2      GLU   7  16.429  -6.199   1.176
  336    HG2  GLU   7           HG3      GLU   7  16.220  -7.368  -0.841
  337    HG3  GLU   7           HG2      GLU   7  14.588  -6.807  -0.415
  338    H    ASP   8           H        ASP   8  15.143  -5.196   3.237
  339    HA   ASP   8           HA       ASP   8  12.841  -6.810   3.304
  340    HB2  ASP   8           HB3      ASP   8  14.263  -5.317   5.510
  341    HB3  ASP   8           HB2      ASP   8  12.906  -6.400   5.800
  342    H    LYS   9           H        LYS   9  13.318  -3.405   4.114
  343    HA   LYS   9           HA       LYS   9  10.670  -2.773   4.823
  344    HB2  LYS   9           HB3      LYS   9  12.297  -0.834   3.197
  345    HB3  LYS   9           HB2      LYS   9  11.135  -0.507   4.472
  346    HG2  LYS   9           HG3      LYS   9  12.711  -1.505   6.118
  347    HG3  LYS   9           HG2      LYS   9  13.906  -1.617   4.824
  348    HD2  LYS   9           HD3      LYS   9  13.842   0.786   4.513
  349    HD3  LYS   9           HD2      LYS   9  12.569   0.933   5.725
  350    HE2  LYS   9           HE3      LYS   9  14.134   0.008   7.410
  351    HE3  LYS   9           HE2      LYS   9  15.400   0.002   6.184
  352    HZ1  LYS   9           HZ1      LYS   9  13.964   2.396   7.197
  353    HZ2  LYS   9           HZ2      LYS   9  15.138   2.411   5.982
  354    HZ3  LYS   9           HZ3      LYS   9  15.561   1.966   7.557
  355    H    VAL  10           H        VAL  10  12.242  -2.643   1.664
  356    HA   VAL  10           HA       VAL  10  10.131  -1.689   0.102
  357    HB   VAL  10           HB       VAL  10  12.255  -3.691  -0.709
  358   HG11  VAL  10          HG11      VAL  10  11.845  -2.875  -2.986
  359   HG12  VAL  10          HG12      VAL  10  10.526  -1.874  -2.383
  360   HG13  VAL  10          HG13      VAL  10  10.413  -3.631  -2.291
  361   HG21  VAL  10          HG21      VAL  10  13.474  -1.743  -1.565
  362   HG22  VAL  10          HG22      VAL  10  13.248  -1.661   0.181
  363   HG23  VAL  10          HG23      VAL  10  12.242  -0.681  -0.885
  364    H    GLU  11           H        GLU  11  11.016  -4.847   1.224
  365    HA   GLU  11           HA       GLU  11   9.007  -6.319  -0.171
  366    HB2  GLU  11           HB3      GLU  11  11.042  -7.388   0.630
  367    HB3  GLU  11           HB2      GLU  11  10.610  -7.018   2.292
  368    HG2  GLU  11           HG3      GLU  11   8.657  -8.474   2.106
  369    HG3  GLU  11           HG2      GLU  11   9.102  -8.850   0.443
  370    H    GLU  12           H        GLU  12   9.250  -5.230   3.240
  371    HA   GLU  12           HA       GLU  12   6.870  -6.413   4.123
  372    HB2  GLU  12           HB3      GLU  12   8.722  -5.401   5.523
  373    HB3  GLU  12           HB2      GLU  12   8.025  -3.826   5.168
  374    HG2  GLU  12           HG3      GLU  12   7.281  -4.553   7.324
  375    HG3  GLU  12           HG2      GLU  12   5.914  -4.563   6.212
  376    H    LEU  13           H        LEU  13   7.413  -3.037   3.188
  377    HA   LEU  13           HA       LEU  13   4.804  -2.121   3.316
  378    HB2  LEU  13           HB3      LEU  13   7.026  -1.261   1.472
  379    HB3  LEU  13           HB2      LEU  13   5.542  -0.364   1.722
  380    HG   LEU  13           HG       LEU  13   7.583  -0.963   3.864
  381   HD11  LEU  13          HD11      LEU  13   8.106   1.426   3.721
  382   HD12  LEU  13          HD12      LEU  13   7.008   1.577   2.349
  383   HD13  LEU  13          HD13      LEU  13   8.459   0.583   2.212
  384   HD21  LEU  13          HD21      LEU  13   6.301   0.686   5.171
  385   HD22  LEU  13          HD22      LEU  13   5.355  -0.749   4.784
  386   HD23  LEU  13          HD23      LEU  13   5.098   0.746   3.885
  387    H    LEU  14           H        LEU  14   6.435  -3.696   0.588
  388    HA   LEU  14           HA       LEU  14   4.381  -3.335  -1.281
  389    HB2  LEU  14           HB3      LEU  14   6.634  -3.965  -1.948
  390    HB3  LEU  14           HB2      LEU  14   6.485  -5.497  -1.118
  391    HG   LEU  14           HG       LEU  14   4.695  -6.151  -2.706
  392   HD11  LEU  14          HD11      LEU  14   5.419  -3.552  -4.053
  393   HD12  LEU  14          HD12      LEU  14   3.860  -3.979  -3.348
  394   HD13  LEU  14          HD13      LEU  14   4.443  -4.829  -4.777
  395   HD21  LEU  14          HD21      LEU  14   7.011  -6.817  -3.077
  396   HD22  LEU  14          HD22      LEU  14   7.303  -5.328  -3.973
  397   HD23  LEU  14          HD23      LEU  14   6.178  -6.530  -4.605
  398    H    SER  15           H        SER  15   5.039  -5.947   1.036
  399    HA   SER  15           HA       SER  15   2.810  -7.537   0.281
  400    HB2  SER  15           HB3      SER  15   4.776  -8.371   1.594
  401    HB3  SER  15           HB2      SER  15   4.202  -7.432   2.971
  402    HG   SER  15           HG       SER  15   3.556  -9.694   2.927
  403    H    LYS  16           H        LYS  16   3.321  -4.900   2.521
  404    HA   LYS  16           HA       LYS  16   0.814  -4.953   3.813
  405    HB2  LYS  16           HB3      LYS  16   2.715  -3.668   4.674
  406    HB3  LYS  16           HB2      LYS  16   2.676  -2.632   3.258
  407    HG2  LYS  16           HG3      LYS  16   1.692  -1.497   5.134
  408    HG3  LYS  16           HG2      LYS  16   0.455  -1.831   3.924
  409    HD2  LYS  16           HD3      LYS  16  -0.320  -3.741   5.221
  410    HD3  LYS  16           HD2      LYS  16   0.950  -3.466   6.415
  411    HE2  LYS  16           HE3      LYS  16  -1.207  -1.475   5.726
  412    HE3  LYS  16           HE2      LYS  16  -1.285  -2.589   7.088
  413    HZ1  LYS  16           HZ1      LYS  16   0.561  -1.542   8.098
  414    HZ2  LYS  16           HZ2      LYS  16  -0.484  -0.299   7.617
  415    HZ3  LYS  16           HZ3      LYS  16   0.909  -0.631   6.718
  416    H    ASN  17           H        ASN  17   2.003  -3.083   1.016
  417    HA   ASN  17           HA       ASN  17  -0.354  -1.740   0.378
  418    HB2  ASN  17           HB3      ASN  17   1.830  -1.322  -0.710
  419    HB3  ASN  17           HB2      ASN  17   1.682  -2.835  -1.571
  420   HD21  ASN  17          HD21      ASN  17   1.558  -2.022  -3.654
  421   HD22  ASN  17          HD22      ASN  17   0.233  -1.061  -4.195
  422    H    TYR  18           H        TYR  18   0.778  -4.912  -0.659
  423    HA   TYR  18           HA       TYR  18  -1.143  -5.620  -2.476
  424    HB2  TYR  18           HB3      TYR  18   0.970  -6.866  -1.422
  425    HB3  TYR  18           HB2      TYR  18  -0.297  -7.690  -0.517
  426    HD1  TYR  18           HD1      TYR  18   1.157  -7.121  -3.810
  427    HD2  TYR  18           HD2      TYR  18  -1.855  -9.179  -1.635
  428    HE1  TYR  18           HE1      TYR  18   0.770  -8.571  -5.741
  429    HE2  TYR  18           HE2      TYR  18  -2.252 -10.645  -3.565
  430    HH   TYR  18           HH       TYR  18  -0.138 -10.817  -6.208
  431    H    HIS  19           H        HIS  19  -1.312  -5.777   1.041
  432    HA   HIS  19           HA       HIS  19  -3.768  -7.153   1.227
  433    HB2  HIS  19           HB3      HIS  19  -2.185  -6.894   3.115
  434    HB3  HIS  19           HB2      HIS  19  -2.552  -5.175   3.174
  435    HD1  HIS  19           HD1      HIS  19  -3.735  -8.463   4.333
  436    HD2  HIS  19           HD2      HIS  19  -5.200  -4.579   4.127
  437    HE1  HIS  19           HE1      HIS  19  -5.719  -8.405   5.871
  438    HE2  HIS  19           HE2      HIS  19  -6.507  -6.013   5.831
  439    H    LEU  20           H        LEU  20  -3.033  -3.672   1.436
  440    HA   LEU  20           HA       LEU  20  -5.772  -2.955   1.743
  441    HB2  LEU  20           HB3      LEU  20  -3.402  -1.220   1.033
  442    HB3  LEU  20           HB2      LEU  20  -5.015  -0.620   1.323
  443    HG   LEU  20           HG       LEU  20  -3.723  -0.249   3.295
  444   HD11  LEU  20          HD11      LEU  20  -6.041  -0.906   3.639
  445   HD12  LEU  20          HD12      LEU  20  -5.014  -1.437   4.968
  446   HD13  LEU  20          HD13      LEU  20  -5.549  -2.594   3.751
  447   HD21  LEU  20          HD21      LEU  20  -1.960  -1.860   2.990
  448   HD22  LEU  20          HD22      LEU  20  -3.091  -3.186   3.259
  449   HD23  LEU  20          HD23      LEU  20  -2.707  -2.076   4.573
  450    H    GLU  21           H        GLU  21  -3.600  -3.158  -1.008
  451    HA   GLU  21           HA       GLU  21  -5.237  -1.778  -2.834
  452    HB2  GLU  21           HB3      GLU  21  -2.762  -2.472  -3.058
  453    HB3  GLU  21           HB2      GLU  21  -3.382  -4.021  -3.613
  454    HG2  GLU  21           HG3      GLU  21  -4.563  -2.868  -5.435
  455    HG3  GLU  21           HG2      GLU  21  -3.870  -1.340  -4.901
  456    H    ASN  22           H        ASN  22  -5.246  -5.083  -1.705
  457    HA   ASN  22           HA       ASN  22  -7.176  -5.993  -3.631
  458    HB2  ASN  22           HB3      ASN  22  -6.132  -7.177  -1.061
  459    HB3  ASN  22           HB2      ASN  22  -7.418  -7.939  -1.989
  460   HD21  ASN  22          HD21      ASN  22  -4.815  -8.975  -1.371
  461   HD22  ASN  22          HD22      ASN  22  -4.028  -9.275  -2.880
  462    H    GLU  23           H        GLU  23  -7.286  -5.070  -0.195
  463    HA   GLU  23           HA       GLU  23 -10.018  -5.494   0.200
  464    HB2  GLU  23           HB3      GLU  23  -7.900  -3.968   1.585
  465    HB3  GLU  23           HB2      GLU  23  -9.550  -3.441   1.909
  466    HG2  GLU  23           HG3      GLU  23  -8.652  -5.099   3.526
  467    HG3  GLU  23           HG2      GLU  23 -10.158  -5.573   2.747
  468    H    VAL  24           H        VAL  24  -8.308  -2.582  -0.909
  469    HA   VAL  24           HA       VAL  24 -10.464  -0.847  -1.079
  470    HB   VAL  24           HB       VAL  24  -8.034  -1.053  -2.858
  471   HG11  VAL  24          HG11      VAL  24 -10.109   1.142  -2.788
  472   HG12  VAL  24          HG12      VAL  24  -9.825   0.026  -4.124
  473   HG13  VAL  24          HG13      VAL  24  -8.584   1.196  -3.671
  474   HG21  VAL  24          HG21      VAL  24  -7.406   1.012  -1.601
  475   HG22  VAL  24          HG22      VAL  24  -7.494  -0.446  -0.617
  476   HG23  VAL  24          HG23      VAL  24  -8.802   0.735  -0.562
  477    H    ALA  25           H        ALA  25  -9.205  -3.060  -3.565
  478    HA   ALA  25           HA       ALA  25 -11.021  -2.456  -5.589
  479    HB1  ALA  25           HB1      ALA  25  -8.952  -3.695  -5.945
  480    HB2  ALA  25           HB2      ALA  25 -10.343  -4.553  -6.606
  481    HB3  ALA  25           HB3      ALA  25  -9.629  -5.076  -5.081
  482    H    ARG  26           H        ARG  26 -11.294  -4.835  -2.974
  483    HA   ARG  26           HA       ARG  26 -13.672  -6.033  -3.986
  484    HB2  ARG  26           HB3      ARG  26 -12.615  -6.004  -1.152
  485    HB3  ARG  26           HB2      ARG  26 -13.868  -7.071  -1.774
  486    HG2  ARG  26           HG3      ARG  26 -12.161  -7.943  -3.400
  487    HG3  ARG  26           HG2      ARG  26 -10.956  -7.031  -2.490
  488    HD2  ARG  26           HD2      ARG  26 -12.764  -9.165  -1.361
  489    HD3  ARG  26           HD1      ARG  26 -11.072  -9.389  -1.793
  490    HE   ARG  26           HE       ARG  26 -10.481  -7.881  -0.000
  491   HH11  ARG  26          HH11      ARG  26 -13.824  -8.963  -0.004
  492   HH12  ARG  26          HH12      ARG  26 -14.030  -8.714   1.697
  493   HH21  ARG  26          HH21      ARG  26 -10.748  -7.579   2.220
  494   HH22  ARG  26          HH22      ARG  26 -12.282  -7.919   2.967
  495    H    LEU  27           H        LEU  27 -13.049  -3.753  -1.340
  496    HA   LEU  27           HA       LEU  27 -15.734  -3.308  -0.658
  497    HB2  LEU  27           HB3      LEU  27 -13.372  -1.455  -0.373
  498    HB3  LEU  27           HB2      LEU  27 -14.914  -1.249   0.428
  499    HG   LEU  27           HG       LEU  27 -13.073  -3.596   0.853
  500   HD11  LEU  27          HD11      LEU  27 -13.557  -1.182   2.589
  501   HD12  LEU  27          HD12      LEU  27 -12.085  -1.526   1.682
  502   HD13  LEU  27          HD13      LEU  27 -12.568  -2.581   3.009
  503   HD21  LEU  27          HD21      LEU  27 -15.563  -2.722   2.310
  504   HD22  LEU  27          HD22      LEU  27 -14.520  -4.067   2.771
  505   HD23  LEU  27          HD23      LEU  27 -15.417  -4.126   1.254
  506    H    LYS  28           H        LYS  28 -13.900  -2.141  -3.332
  507    HA   LYS  28           HA       LYS  28 -15.372   0.289  -3.688
  508    HB2  LYS  28           HB3      LYS  28 -13.043   0.086  -4.430
  509    HB3  LYS  28           HB2      LYS  28 -13.513  -1.160  -5.578
  510    HG2  LYS  28           HG3      LYS  28 -14.684   0.370  -6.922
  511    HG3  LYS  28           HG2      LYS  28 -14.667   1.607  -5.665
  512    HD2  LYS  28           HD3      LYS  28 -12.138   0.542  -6.904
  513    HD3  LYS  28           HD2      LYS  28 -13.040   1.903  -7.607
  514    HE2  LYS  28           HE3      LYS  28 -11.976   1.806  -4.773
  515    HE3  LYS  28           HE2      LYS  28 -11.173   2.603  -6.126
  516    HZ1  LYS  28           HZ1      LYS  28 -13.126   4.031  -6.374
  517    HZ2  LYS  28           HZ2      LYS  28 -12.429   4.197  -4.845
  518    HZ3  LYS  28           HZ3      LYS  28 -13.851   3.297  -5.034
  519    H    LYS  29           H        LYS  29 -15.290  -2.849  -5.440
  520    HA   LYS  29           HA       LYS  29 -17.572  -2.187  -6.998
  521    HB2  LYS  29           HB3      LYS  29 -17.677  -4.699  -7.385
  522    HB3  LYS  29           HB2      LYS  29 -16.224  -3.868  -7.908
  523    HG2  LYS  29           HG3      LYS  29 -15.014  -4.673  -5.996
  524    HG3  LYS  29           HG2      LYS  29 -16.481  -5.393  -5.328
  525    HD2  LYS  29           HD3      LYS  29 -16.581  -7.016  -7.029
  526    HD3  LYS  29           HD2      LYS  29 -15.417  -6.152  -8.034
  527    HE2  LYS  29           HE3      LYS  29 -14.768  -7.376  -5.358
  528    HE3  LYS  29           HE2      LYS  29 -14.516  -8.190  -6.902
  529    HZ1  LYS  29           HZ1      LYS  29 -13.270  -5.615  -6.095
  530    HZ2  LYS  29           HZ2      LYS  29 -13.011  -6.430  -7.556
  531    HZ3  LYS  29           HZ3      LYS  29 -12.498  -7.122  -6.104
  532    H    LEU  30           H        LEU  30 -17.218  -3.142  -3.742
  533    HA   LEU  30           HA       LEU  30 -19.858  -4.217  -3.420
  534    HB2  LEU  30           HB3      LEU  30 -17.611  -3.472  -1.619
  535    HB3  LEU  30           HB2      LEU  30 -19.209  -3.450  -0.911
  536    HG   LEU  30           HG       LEU  30 -19.465  -5.781  -1.096
  537   HD11  LEU  30          HD11      LEU  30 -18.021  -7.218  -2.446
  538   HD12  LEU  30          HD12      LEU  30 -17.132  -5.806  -3.015
  539   HD13  LEU  30          HD13      LEU  30 -18.829  -6.013  -3.449
  540   HD21  LEU  30          HD21      LEU  30 -17.461  -6.725  -0.103
  541   HD22  LEU  30          HD22      LEU  30 -17.817  -5.140   0.585
  542   HD23  LEU  30          HD23      LEU  30 -16.529  -5.315  -0.607
  543    H    VAL  31           H        VAL  31 -18.352  -1.123  -2.431
  544    HA   VAL  31           HA       VAL  31 -20.777   0.163  -1.798
  545    HB   VAL  31           HB       VAL  31 -18.178   1.404  -2.733
  546   HG11  VAL  31          HG11      VAL  31 -20.486   2.642  -1.241
  547   HG12  VAL  31          HG12      VAL  31 -20.034   2.971  -2.909
  548   HG13  VAL  31          HG13      VAL  31 -18.950   3.429  -1.598
  549   HG21  VAL  31          HG21      VAL  31 -19.202   0.849   0.048
  550   HG22  VAL  31          HG22      VAL  31 -17.726   1.731  -0.345
  551   HG23  VAL  31          HG23      VAL  31 -17.869   0.022  -0.759
  552    H    GLY  32           H        GLY  32 -19.109  -0.297  -4.861
  553    HA2  GLY  32           HA3      GLY  32 -21.067   1.427  -6.197
  554    HA3  GLY  32           HA2      GLY  32 -19.558   0.859  -6.892
  555    H    GLU  33           H        GLU  33 -22.351  -0.730  -5.368
  556    HA   GLU  33           HA       GLU  33 -22.394  -2.721  -7.472
  557    HB2  GLU  33           HB3      GLU  33 -23.832  -2.353  -4.875
  558    HB3  GLU  33           HB2      GLU  33 -24.535  -3.410  -6.090
  559    HG2  GLU  33           HG3      GLU  33 -21.719  -3.703  -5.086
  560    HG3  GLU  33           HG2      GLU  33 -23.100  -4.517  -4.353
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  20.565  -3.369  -6.807
    2    H2   GLY   1           H2       GLY   1  18.908  -3.674  -6.945
    3    H3   GLY   1           H3       GLY   1  19.659  -3.755  -5.435
    4    HA2  GLY   1           HA2      GLY   1  19.369  -1.306  -7.081
    5    HA3  GLY   1           HA3      GLY   1  18.382  -1.710  -5.683
    6    H    SER   2           H        SER   2  20.313   0.526  -6.279
    7    HA   SER   2           HA       SER   2  22.516   0.179  -4.489
    8    HB2  SER   2           HB3      SER   2  21.326   2.755  -5.545
    9    HB3  SER   2           HB2      SER   2  22.946   2.535  -4.881
   10    HG   SER   2           HG       SER   2  22.389   2.408  -7.352
   11    H    MET   3           H        MET   3  22.821   1.613  -2.543
   12    HA   MET   3           HA       MET   3  20.839   0.998  -0.671
   13    HB2  MET   3           HB3      MET   3  23.209   1.367  -0.103
   14    HB3  MET   3           HB2      MET   3  23.018   3.079  -0.438
   15    HG2  MET   3           HG3      MET   3  21.370   3.240   1.371
   16    HG3  MET   3           HG2      MET   3  21.608   1.527   1.718
   17    HE1  MET   3           HE1      MET   3  23.896   0.504   2.567
   18    HE2  MET   3           HE2      MET   3  25.339   1.457   2.914
   19    HE3  MET   3           HE3      MET   3  24.792   1.259   1.249
   20    H    LYS   4           H        LYS   4  21.718   4.241  -1.930
   21    HA   LYS   4           HA       LYS   4  19.558   5.573  -0.718
   22    HB2  LYS   4           HB3      LYS   4  20.026   7.409  -2.293
   23    HB3  LYS   4           HB2      LYS   4  21.485   6.798  -1.535
   24    HG2  LYS   4           HG3      LYS   4  22.053   5.569  -3.542
   25    HG3  LYS   4           HG2      LYS   4  20.549   6.083  -4.304
   26    HD2  LYS   4           HD3      LYS   4  22.392   7.445  -5.099
   27    HD3  LYS   4           HD2      LYS   4  21.284   8.424  -4.139
   28    HE2  LYS   4           HE3      LYS   4  22.783   8.217  -2.209
   29    HE3  LYS   4           HE2      LYS   4  23.890   7.244  -3.176
   30    HZ1  LYS   4           HZ1      LYS   4  24.617   9.533  -3.067
   31    HZ2  LYS   4           HZ2      LYS   4  23.146  10.070  -3.699
   32    HZ3  LYS   4           HZ3      LYS   4  24.186   9.143  -4.653
   33    H    GLN   5           H        GLN   5  19.782   3.792  -3.707
   34    HA   GLN   5           HA       GLN   5  17.409   4.744  -4.908
   35    HB2  GLN   5           HB3      GLN   5  19.082   3.590  -6.228
   36    HB3  GLN   5           HB2      GLN   5  18.912   2.143  -5.245
   37    HG2  GLN   5           HG3      GLN   5  16.608   1.885  -6.049
   38    HG3  GLN   5           HG2      GLN   5  16.817   3.312  -7.064
   39   HE21  GLN   5          HE21      GLN   5  16.436   2.142  -8.939
   40   HE22  GLN   5          HE22      GLN   5  17.595   1.033  -9.584
   41    H    LEU   6           H        LEU   6  18.123   1.870  -2.950
   42    HA   LEU   6           HA       LEU   6  15.487   0.854  -2.935
   43    HB2  LEU   6           HB3      LEU   6  17.765   0.440  -1.001
   44    HB3  LEU   6           HB2      LEU   6  16.248  -0.434  -0.923
   45    HG   LEU   6           HG       LEU   6  18.142  -0.528  -3.279
   46   HD11  LEU   6          HD11      LEU   6  18.697  -2.770  -2.500
   47   HD12  LEU   6          HD12      LEU   6  17.698  -2.523  -1.068
   48   HD13  LEU   6          HD13      LEU   6  19.147  -1.547  -1.312
   49   HD21  LEU   6          HD21      LEU   6  15.842  -0.954  -3.909
   50   HD22  LEU   6          HD22      LEU   6  15.679  -2.127  -2.604
   51   HD23  LEU   6          HD23      LEU   6  16.770  -2.453  -3.949
   52    H    GLU   7           H        GLU   7  17.195   3.126  -0.913
   53    HA   GLU   7           HA       GLU   7  15.406   3.424   1.192
   54    HB2  GLU   7           HB3      GLU   7  17.758   4.487   0.677
   55    HB3  GLU   7           HB2      GLU   7  16.819   5.776  -0.047
   56    HG2  GLU   7           HG3      GLU   7  16.685   4.895   2.843
   57    HG3  GLU   7           HG2      GLU   7  17.528   6.321   2.210
   58    H    ASP   8           H        ASP   8  15.512   5.121  -1.937
   59    HA   ASP   8           HA       ASP   8  13.205   6.682  -1.567
   60    HB2  ASP   8           HB3      ASP   8  14.833   5.841  -3.907
   61    HB3  ASP   8           HB2      ASP   8  13.214   6.447  -4.233
   62    H    LYS   9           H        LYS   9  13.623   3.509  -3.089
   63    HA   LYS   9           HA       LYS   9  11.013   3.012  -3.931
   64    HB2  LYS   9           HB3      LYS   9  12.509   0.823  -2.525
   65    HB3  LYS   9           HB2      LYS   9  11.446   0.715  -3.914
   66    HG2  LYS   9           HG3      LYS   9  14.195   1.941  -3.962
   67    HG3  LYS   9           HG2      LYS   9  13.793   0.312  -4.500
   68    HD2  LYS   9           HD3      LYS   9  12.809   2.908  -5.689
   69    HD3  LYS   9           HD2      LYS   9  13.963   1.788  -6.403
   70    HE2  LYS   9           HE3      LYS   9  11.064   1.200  -5.818
   71    HE3  LYS   9           HE2      LYS   9  11.748   1.547  -7.403
   72    HZ1  LYS   9           HZ1      LYS   9  13.083  -0.451  -7.232
   73    HZ2  LYS   9           HZ2      LYS   9  11.447  -0.823  -7.054
   74    HZ3  LYS   9           HZ3      LYS   9  12.454  -0.781  -5.699
   75    H    VAL  10           H        VAL  10  12.388   2.422  -0.726
   76    HA   VAL  10           HA       VAL  10  10.205   1.192   0.513
   77    HB   VAL  10           HB       VAL  10  12.183   3.092   1.792
   78   HG11  VAL  10          HG11      VAL  10  11.665   1.887   3.864
   79   HG12  VAL  10          HG12      VAL  10  10.450   0.940   3.006
   80   HG13  VAL  10          HG13      VAL  10  10.237   2.680   3.197
   81   HG21  VAL  10          HG21      VAL  10  13.365   1.311   0.675
   82   HG22  VAL  10          HG22      VAL  10  12.302   0.106   1.399
   83   HG23  VAL  10          HG23      VAL  10  13.406   1.033   2.417
   84    H    GLU  11           H        GLU  11  11.076   4.506  -0.019
   85    HA   GLU  11           HA       GLU  11   8.927   5.665   1.468
   86    HB2  GLU  11           HB3      GLU  11  10.780   6.822  -0.608
   87    HB3  GLU  11           HB2      GLU  11   9.583   7.771   0.263
   88    HG2  GLU  11           HG3      GLU  11  11.825   6.221   1.542
   89    HG3  GLU  11           HG2      GLU  11  11.841   7.953   1.215
   90    H    GLU  12           H        GLU  12   9.445   5.168  -2.053
   91    HA   GLU  12           HA       GLU  12   7.126   6.411  -2.961
   92    HB2  GLU  12           HB3      GLU  12   8.441   3.938  -4.099
   93    HB3  GLU  12           HB2      GLU  12   7.309   4.976  -4.952
   94    HG2  GLU  12           HG3      GLU  12   8.902   6.841  -4.743
   95    HG3  GLU  12           HG2      GLU  12  10.043   5.748  -3.960
   96    H    LEU  13           H        LEU  13   7.529   2.932  -2.418
   97    HA   LEU  13           HA       LEU  13   4.881   2.175  -2.710
   98    HB2  LEU  13           HB3      LEU  13   7.042   0.945  -1.012
   99    HB3  LEU  13           HB2      LEU  13   5.498   0.180  -1.339
  100    HG   LEU  13           HG       LEU  13   7.556   0.910  -3.424
  101   HD11  LEU  13          HD11      LEU  13   8.312  -0.917  -2.024
  102   HD12  LEU  13          HD12      LEU  13   7.863  -1.515  -3.623
  103   HD13  LEU  13          HD13      LEU  13   6.777  -1.753  -2.254
  104   HD21  LEU  13          HD21      LEU  13   5.315   1.011  -4.332
  105   HD22  LEU  13          HD22      LEU  13   4.933  -0.564  -3.636
  106   HD23  LEU  13          HD23      LEU  13   6.132  -0.435  -4.924
  107    H    LEU  14           H        LEU  14   6.522   3.301   0.221
  108    HA   LEU  14           HA       LEU  14   4.416   2.856   2.008
  109    HB2  LEU  14           HB3      LEU  14   6.693   3.351   2.743
  110    HB3  LEU  14           HB2      LEU  14   6.583   4.965   2.082
  111    HG   LEU  14           HG       LEU  14   4.747   5.435   3.719
  112   HD11  LEU  14          HD11      LEU  14   4.553   3.943   5.660
  113   HD12  LEU  14          HD12      LEU  14   5.597   2.775   4.850
  114   HD13  LEU  14          HD13      LEU  14   4.019   3.170   4.169
  115   HD21  LEU  14          HD21      LEU  14   7.433   4.622   4.816
  116   HD22  LEU  14          HD22      LEU  14   6.268   5.662   5.637
  117   HD23  LEU  14          HD23      LEU  14   7.008   6.189   4.126
  118    H    SER  15           H        SER  15   5.216   5.669  -0.025
  119    HA   SER  15           HA       SER  15   3.121   7.341   0.784
  120    HB2  SER  15           HB3      SER  15   5.008   8.070  -0.642
  121    HB3  SER  15           HB2      SER  15   4.383   7.089  -1.962
  122    HG   SER  15           HG       SER  15   3.192   8.732  -2.461
  123    H    LYS  16           H        LYS  16   3.267   4.845  -1.730
  124    HA   LYS  16           HA       LYS  16   0.593   5.180  -2.615
  125    HB2  LYS  16           HB3      LYS  16   2.334   4.032  -3.957
  126    HB3  LYS  16           HB2      LYS  16   2.340   2.714  -2.791
  127    HG2  LYS  16           HG3      LYS  16  -0.118   2.425  -3.299
  128    HG3  LYS  16           HG2      LYS  16   0.130   3.532  -4.649
  129    HD2  LYS  16           HD3      LYS  16   1.718   2.034  -5.657
  130    HD3  LYS  16           HD2      LYS  16   1.686   0.979  -4.242
  131    HE2  LYS  16           HE3      LYS  16  -0.784   0.667  -4.692
  132    HE3  LYS  16           HE2      LYS  16  -0.514   1.465  -6.241
  133    HZ1  LYS  16           HZ1      LYS  16   0.995  -0.260  -6.874
  134    HZ2  LYS  16           HZ2      LYS  16  -0.449  -0.982  -6.356
  135    HZ3  LYS  16           HZ3      LYS  16   0.907  -0.978  -5.346
  136    H    ASN  17           H        ASN  17   2.118   3.017  -0.265
  137    HA   ASN  17           HA       ASN  17  -0.036   1.386   0.352
  138    HB2  ASN  17           HB3      ASN  17   2.342   1.132   1.165
  139    HB3  ASN  17           HB2      ASN  17   2.013   2.402   2.335
  140   HD21  ASN  17          HD21      ASN  17   1.467  -0.943   1.510
  141   HD22  ASN  17          HD22      ASN  17   0.689  -1.372   2.986
  142    H    TYR  18           H        TYR  18   0.820   4.553   1.702
  143    HA   TYR  18           HA       TYR  18  -1.160   4.705   3.642
  144    HB2  TYR  18           HB3      TYR  18   0.670   6.240   3.671
  145    HB3  TYR  18           HB2      TYR  18   0.311   6.796   2.038
  146    HD1  TYR  18           HD1      TYR  18  -0.971   6.761   5.502
  147    HD2  TYR  18           HD2      TYR  18  -1.150   8.570   1.667
  148    HE1  TYR  18           HE1      TYR  18  -2.391   8.528   6.407
  149    HE2  TYR  18           HE2      TYR  18  -2.567  10.344   2.561
  150    HH   TYR  18           HH       TYR  18  -3.049  10.816   5.920
  151    H    HIS  19           H        HIS  19  -1.175   5.501   0.203
  152    HA   HIS  19           HA       HIS  19  -3.635   6.815   0.061
  153    HB2  HIS  19           HB3      HIS  19  -1.989   6.664  -1.811
  154    HB3  HIS  19           HB2      HIS  19  -2.458   4.980  -2.040
  155    HD1  HIS  19           HD1      HIS  19  -3.754   4.941  -4.152
  156    HD2  HIS  19           HD2      HIS  19  -4.816   8.161  -1.751
  157    HE1  HIS  19           HE1      HIS  19  -5.686   6.042  -5.318
  158    HE2  HIS  19           HE2      HIS  19  -6.218   8.072  -3.922
  159    H    LEU  20           H        LEU  20  -2.895   3.359  -0.349
  160    HA   LEU  20           HA       LEU  20  -5.575   2.626  -0.876
  161    HB2  LEU  20           HB3      LEU  20  -3.202   0.981  -0.027
  162    HB3  LEU  20           HB2      LEU  20  -4.780   0.301  -0.318
  163    HG   LEU  20           HG       LEU  20  -3.341  -0.041  -2.233
  164   HD11  LEU  20          HD11      LEU  20  -4.833   0.746  -3.941
  165   HD12  LEU  20          HD12      LEU  20  -5.501   1.955  -2.845
  166   HD13  LEU  20          HD13      LEU  20  -5.758   0.239  -2.528
  167   HD21  LEU  20          HD21      LEU  20  -2.601   1.798  -3.631
  168   HD22  LEU  20          HD22      LEU  20  -1.889   1.894  -2.020
  169   HD23  LEU  20          HD23      LEU  20  -3.229   2.953  -2.456
  170    H    GLU  21           H        GLU  21  -3.660   2.713   2.106
  171    HA   GLU  21           HA       GLU  21  -5.444   1.386   3.788
  172    HB2  GLU  21           HB3      GLU  21  -3.637   3.727   4.424
  173    HB3  GLU  21           HB2      GLU  21  -4.475   2.768   5.631
  174    HG2  GLU  21           HG3      GLU  21  -3.229   0.771   4.826
  175    HG3  GLU  21           HG2      GLU  21  -2.320   1.832   3.751
  176    H    ASN  22           H        ASN  22  -5.329   4.790   2.829
  177    HA   ASN  22           HA       ASN  22  -7.519   5.627   4.417
  178    HB2  ASN  22           HB3      ASN  22  -6.190   6.818   1.989
  179    HB3  ASN  22           HB2      ASN  22  -7.563   7.588   2.774
  180   HD21  ASN  22          HD21      ASN  22  -6.350   9.386   3.321
  181   HD22  ASN  22          HD22      ASN  22  -5.161   9.355   4.578
  182    H    GLU  23           H        GLU  23  -7.248   4.573   1.050
  183    HA   GLU  23           HA       GLU  23  -9.886   5.049   0.250
  184    HB2  GLU  23           HB3      GLU  23  -8.048   2.816  -0.641
  185    HB3  GLU  23           HB2      GLU  23  -9.490   3.354  -1.490
  186    HG2  GLU  23           HG3      GLU  23  -7.005   4.980  -1.008
  187    HG3  GLU  23           HG2      GLU  23  -7.480   4.224  -2.527
  188    H    VAL  24           H        VAL  24  -8.406   2.176   1.695
  189    HA   VAL  24           HA       VAL  24 -10.569   0.458   1.698
  190    HB   VAL  24           HB       VAL  24  -8.342   0.741   3.722
  191   HG11  VAL  24          HG11      VAL  24 -10.247  -0.365   4.785
  192   HG12  VAL  24          HG12      VAL  24  -8.921  -1.497   4.513
  193   HG13  VAL  24          HG13      VAL  24 -10.328  -1.515   3.449
  194   HG21  VAL  24          HG21      VAL  24  -8.798  -1.134   1.408
  195   HG22  VAL  24          HG22      VAL  24  -7.495  -1.291   2.581
  196   HG23  VAL  24          HG23      VAL  24  -7.568   0.124   1.531
  197    H    ALA  25           H        ALA  25  -9.609   2.763   4.238
  198    HA   ALA  25           HA       ALA  25 -11.653   2.176   6.052
  199    HB1  ALA  25           HB1      ALA  25 -10.232   4.805   5.690
  200    HB2  ALA  25           HB2      ALA  25  -9.622   3.431   6.610
  201    HB3  ALA  25           HB3      ALA  25 -11.087   4.260   7.133
  202    H    ARG  26           H        ARG  26 -11.568   4.604   3.451
  203    HA   ARG  26           HA       ARG  26 -14.008   5.857   4.103
  204    HB2  ARG  26           HB3      ARG  26 -12.725   5.606   1.377
  205    HB3  ARG  26           HB2      ARG  26 -13.945   6.781   1.846
  206    HG2  ARG  26           HG3      ARG  26 -11.143   6.587   2.907
  207    HG3  ARG  26           HG2      ARG  26 -11.765   7.808   1.796
  208    HD2  ARG  26           HD2      ARG  26 -13.372   8.507   3.560
  209    HD3  ARG  26           HD1      ARG  26 -12.595   7.371   4.661
  210    HE   ARG  26           HE       ARG  26 -10.817   9.296   3.441
  211   HH11  ARG  26          HH11      ARG  26 -12.848   8.517   6.180
  212   HH12  ARG  26          HH12      ARG  26 -12.108   9.682   7.227
  213   HH21  ARG  26          HH21      ARG  26  -9.827  10.829   4.823
  214   HH22  ARG  26          HH22      ARG  26 -10.378  10.991   6.458
  215    H    LEU  27           H        LEU  27 -13.208   3.208   1.922
  216    HA   LEU  27           HA       LEU  27 -15.806   2.838   0.893
  217    HB2  LEU  27           HB3      LEU  27 -13.495   0.920   1.150
  218    HB3  LEU  27           HB2      LEU  27 -14.968   0.561   0.268
  219    HG   LEU  27           HG       LEU  27 -13.156   2.873  -0.377
  220   HD11  LEU  27          HD11      LEU  27 -13.310   0.149  -1.639
  221   HD12  LEU  27          HD12      LEU  27 -11.958   0.807  -0.718
  222   HD13  LEU  27          HD13      LEU  27 -12.396   1.519  -2.269
  223   HD21  LEU  27          HD21      LEU  27 -14.389   2.852  -2.516
  224   HD22  LEU  27          HD22      LEU  27 -15.421   3.216  -1.132
  225   HD23  LEU  27          HD23      LEU  27 -15.455   1.609  -1.858
  226    H    LYS  28           H        LYS  28 -14.241   1.562   3.795
  227    HA   LYS  28           HA       LYS  28 -16.324  -0.238   4.465
  228    HB2  LYS  28           HB3      LYS  28 -14.269   1.134   6.209
  229    HB3  LYS  28           HB2      LYS  28 -15.376  -0.101   6.790
  230    HG2  LYS  28           HG3      LYS  28 -14.399  -1.695   5.179
  231    HG3  LYS  28           HG2      LYS  28 -13.255  -0.447   4.680
  232    HD2  LYS  28           HD3      LYS  28 -12.302  -0.372   6.896
  233    HD3  LYS  28           HD2      LYS  28 -13.530  -1.513   7.492
  234    HE2  LYS  28           HE3      LYS  28 -12.658  -3.208   5.925
  235    HE3  LYS  28           HE2      LYS  28 -11.405  -2.078   5.420
  236    HZ1  LYS  28           HZ1      LYS  28 -11.763  -3.189   8.149
  237    HZ2  LYS  28           HZ2      LYS  28 -10.587  -2.056   7.712
  238    HZ3  LYS  28           HZ3      LYS  28 -10.552  -3.611   7.049
  239    H    LYS  29           H        LYS  29 -15.685   3.148   5.303
  240    HA   LYS  29           HA       LYS  29 -17.840   3.600   6.992
  241    HB2  LYS  29           HB3      LYS  29 -16.081   5.241   6.663
  242    HB3  LYS  29           HB2      LYS  29 -16.516   5.425   4.973
  243    HG2  LYS  29           HG3      LYS  29 -18.719   6.337   5.719
  244    HG3  LYS  29           HG2      LYS  29 -18.106   6.310   7.375
  245    HD2  LYS  29           HD3      LYS  29 -16.261   7.779   6.711
  246    HD3  LYS  29           HD2      LYS  29 -16.889   7.818   5.062
  247    HE2  LYS  29           HE3      LYS  29 -18.969   8.822   5.898
  248    HE3  LYS  29           HE2      LYS  29 -18.308   8.809   7.532
  249    HZ1  LYS  29           HZ1      LYS  29 -17.254  10.333   5.213
  250    HZ2  LYS  29           HZ2      LYS  29 -16.510  10.260   6.730
  251    HZ3  LYS  29           HZ3      LYS  29 -18.035  10.973   6.571
  252    H    LEU  30           H        LEU  30 -17.715   3.407   3.485
  253    HA   LEU  30           HA       LEU  30 -20.316   4.424   2.991
  254    HB2  LEU  30           HB3      LEU  30 -18.586   2.593   1.330
  255    HB3  LEU  30           HB2      LEU  30 -20.067   3.345   0.766
  256    HG   LEU  30           HG       LEU  30 -17.554   4.802   1.596
  257   HD11  LEU  30          HD11      LEU  30 -18.797   4.402  -1.122
  258   HD12  LEU  30          HD12      LEU  30 -17.345   3.602  -0.528
  259   HD13  LEU  30          HD13      LEU  30 -17.353   5.349  -0.765
  260   HD21  LEU  30          HD21      LEU  30 -19.512   6.126   2.115
  261   HD22  LEU  30          HD22      LEU  30 -20.173   5.830   0.508
  262   HD23  LEU  30          HD23      LEU  30 -18.707   6.791   0.696
  263    H    VAL  31           H        VAL  31 -19.104   1.056   2.961
  264    HA   VAL  31           HA       VAL  31 -21.654  -0.128   2.756
  265    HB   VAL  31           HB       VAL  31 -19.181  -1.345   3.999
  266   HG11  VAL  31          HG11      VAL  31 -21.587  -2.627   2.711
  267   HG12  VAL  31          HG12      VAL  31 -21.193  -2.636   4.429
  268   HG13  VAL  31          HG13      VAL  31 -20.152  -3.479   3.282
  269   HG21  VAL  31          HG21      VAL  31 -18.700  -2.235   1.765
  270   HG22  VAL  31          HG22      VAL  31 -18.656  -0.472   1.796
  271   HG23  VAL  31          HG23      VAL  31 -20.052  -1.308   1.114
  272    H    GLY  32           H        GLY  32 -19.755   0.890   5.546
  273    HA2  GLY  32           HA3      GLY  32 -21.180   1.582   7.481
  274    HA3  GLY  32           HA2      GLY  32 -21.951   0.007   7.306
  275    H    GLU  33           H        GLU  33 -20.683  -1.881   7.646
  276    HA   GLU  33           HA       GLU  33 -19.238  -3.197   8.774
  277    HB2  GLU  33           HB3      GLU  33 -17.374  -1.007   7.861
  278    HB3  GLU  33           HB2      GLU  33 -16.821  -2.514   8.570
  279    HG2  GLU  33           HG3      GLU  33 -18.439  -2.248   6.046
  280    HG3  GLU  33           HG2      GLU  33 -16.708  -2.572   6.138
  281    H1   GLY   1           H1       GLY   1  20.603   3.200   7.111
  282    H2   GLY   1           H2       GLY   1  18.943   3.488   7.254
  283    H3   GLY   1           H3       GLY   1  19.685   3.557   5.738
  284    HA2  GLY   1           HA2      GLY   1  19.440   1.125   7.413
  285    HA3  GLY   1           HA3      GLY   1  18.428   1.503   6.026
  286    H    SER   2           H        SER   2  20.389  -0.708   6.611
  287    HA   SER   2           HA       SER   2  22.568  -0.351   4.795
  288    HB2  SER   2           HB3      SER   2  21.425  -2.936   5.879
  289    HB3  SER   2           HB2      SER   2  23.032  -2.699   5.196
  290    HG   SER   2           HG       SER   2  22.481  -2.561   7.676
  291    H    MET   3           H        MET   3  22.864  -1.809   2.855
  292    HA   MET   3           HA       MET   3  20.850  -1.217   1.000
  293    HB2  MET   3           HB3      MET   3  23.217  -1.566   0.401
  294    HB3  MET   3           HB2      MET   3  23.047  -3.279   0.750
  295    HG2  MET   3           HG3      MET   3  21.380  -3.467  -1.035
  296    HG3  MET   3           HG2      MET   3  21.591  -1.755  -1.397
  297    HE1  MET   3           HE1      MET   3  23.852  -0.706  -2.287
  298    HE2  MET   3           HE2      MET   3  25.302  -1.643  -2.648
  299    HE3  MET   3           HE3      MET   3  24.777  -1.439  -0.976
  300    H    LYS   4           H        LYS   4  21.781  -4.434   2.285
  301    HA   LYS   4           HA       LYS   4  19.624  -5.803   1.099
  302    HB2  LYS   4           HB3      LYS   4  20.135  -7.626   2.677
  303    HB3  LYS   4           HB2      LYS   4  21.578  -6.999   1.895
  304    HG2  LYS   4           HG3      LYS   4  22.155  -5.755   3.890
  305    HG3  LYS   4           HG2      LYS   4  20.668  -6.282   4.674
  306    HD2  LYS   4           HD3      LYS   4  22.542  -7.610   5.451
  307    HD3  LYS   4           HD2      LYS   4  21.432  -8.612   4.518
  308    HE2  LYS   4           HE3      LYS   4  22.896  -8.404   2.563
  309    HE3  LYS   4           HE2      LYS   4  24.004  -7.406   3.501
  310    HZ1  LYS   4           HZ1      LYS   4  24.761  -9.688   3.397
  311    HZ2  LYS   4           HZ2      LYS   4  23.309 -10.235   4.070
  312    HZ3  LYS   4           HZ3      LYS   4  24.359  -9.280   4.989
  313    H    GLN   5           H        GLN   5  19.869  -3.998   4.073
  314    HA   GLN   5           HA       GLN   5  17.525  -4.967   5.318
  315    HB2  GLN   5           HB3      GLN   5  19.201  -3.780   6.599
  316    HB3  GLN   5           HB2      GLN   5  18.995  -2.343   5.609
  317    HG2  GLN   5           HG3      GLN   5  16.700  -2.112   6.444
  318    HG3  GLN   5           HG2      GLN   5  16.943  -3.529   7.465
  319   HE21  GLN   5          HE21      GLN   5  16.560  -2.333   9.335
  320   HE22  GLN   5          HE22      GLN   5  17.722  -1.210   9.957
  321    H    LEU   6           H        LEU   6  18.175  -2.104   3.320
  322    HA   LEU   6           HA       LEU   6  15.527  -1.119   3.338
  323    HB2  LEU   6           HB3      LEU   6  17.775  -0.694   1.374
  324    HB3  LEU   6           HB2      LEU   6  16.248   0.159   1.303
  325    HG   LEU   6           HG       LEU   6  18.166   0.297   3.635
  326   HD11  LEU   6          HD11      LEU   6  18.686   2.538   2.832
  327   HD12  LEU   6          HD12      LEU   6  17.671   2.269   1.415
  328   HD13  LEU   6          HD13      LEU   6  19.132   1.310   1.646
  329   HD21  LEU   6          HD21      LEU   6  15.869   0.699   4.294
  330   HD22  LEU   6          HD22      LEU   6  15.673   1.860   2.983
  331   HD23  LEU   6          HD23      LEU   6  16.778   2.210   4.310
  332    H    GLU   7           H        GLU   7  17.232  -3.383   1.302
  333    HA   GLU   7           HA       GLU   7  15.414  -3.717  -0.768
  334    HB2  GLU   7           HB3      GLU   7  17.791  -4.741  -0.282
  335    HB3  GLU   7           HB2      GLU   7  16.881  -6.037   0.465
  336    HG2  GLU   7           HG3      GLU   7  16.697  -5.187  -2.432
  337    HG3  GLU   7           HG2      GLU   7  17.560  -6.599  -1.794
  338    H    ASP   8           H        ASP   8  15.590  -5.392   2.369
  339    HA   ASP   8           HA       ASP   8  13.297  -6.982   2.042
  340    HB2  ASP   8           HB3      ASP   8  14.950  -6.111   4.354
  341    HB3  ASP   8           HB2      ASP   8  13.345  -6.744   4.705
  342    H    LYS   9           H        LYS   9  13.698  -3.790   3.526
  343    HA   LYS   9           HA       LYS   9  11.093  -3.324   4.406
  344    HB2  LYS   9           HB3      LYS   9  12.544  -1.127   2.965
  345    HB3  LYS   9           HB2      LYS   9  11.496  -1.022   4.368
  346    HG2  LYS   9           HG3      LYS   9  14.259  -2.215   4.391
  347    HG3  LYS   9           HG2      LYS   9  13.847  -0.585   4.920
  348    HD2  LYS   9           HD3      LYS   9  12.904  -3.181   6.143
  349    HD3  LYS   9           HD2      LYS   9  14.056  -2.045   6.835
  350    HE2  LYS   9           HE3      LYS   9  11.146  -1.481   6.275
  351    HE3  LYS   9           HE2      LYS   9  11.844  -1.823   7.853
  352    HZ1  LYS   9           HZ1      LYS   9  13.175   0.179   7.668
  353    HZ2  LYS   9           HZ2      LYS   9  11.534   0.543   7.516
  354    HZ3  LYS   9           HZ3      LYS   9  12.520   0.509   6.146
  355    H    VAL  10           H        VAL  10  12.418  -2.745   1.181
  356    HA   VAL  10           HA       VAL  10  10.207  -1.549  -0.037
  357    HB   VAL  10           HB       VAL  10  12.189  -3.436  -1.328
  358   HG11  VAL  10          HG11      VAL  10  11.627  -2.259  -3.401
  359   HG12  VAL  10          HG12      VAL  10  10.413  -1.319  -2.534
  360   HG13  VAL  10          HG13      VAL  10  10.219  -3.063  -2.709
  361   HG21  VAL  10          HG21      VAL  10  13.363  -1.633  -0.242
  362   HG22  VAL  10          HG22      VAL  10  12.274  -0.447  -0.961
  363   HG23  VAL  10          HG23      VAL  10  13.375  -1.367  -1.987
  364    H    GLU  11           H        GLU  11  11.121  -4.848   0.506
  365    HA   GLU  11           HA       GLU  11   8.964  -6.047  -0.939
  366    HB2  GLU  11           HB3      GLU  11  10.863  -7.159   1.122
  367    HB3  GLU  11           HB2      GLU  11   9.669  -8.132   0.276
  368    HG2  GLU  11           HG3      GLU  11  11.870  -6.565  -1.049
  369    HG3  GLU  11           HG2      GLU  11  11.918  -8.293  -0.702
  370    H    GLU  12           H        GLU  12   9.525  -5.513   2.574
  371    HA   GLU  12           HA       GLU  12   7.235  -6.781   3.523
  372    HB2  GLU  12           HB3      GLU  12   8.533  -4.283   4.624
  373    HB3  GLU  12           HB2      GLU  12   7.425  -5.329   5.500
  374    HG2  GLU  12           HG3      GLU  12   9.040  -7.173   5.289
  375    HG3  GLU  12           HG2      GLU  12  10.155  -6.077   4.476
  376    H    LEU  13           H        LEU  13   7.589  -3.302   2.939
  377    HA   LEU  13           HA       LEU  13   4.935  -2.573   3.269
  378    HB2  LEU  13           HB3      LEU  13   7.061  -1.334   1.534
  379    HB3  LEU  13           HB2      LEU  13   5.512  -0.584   1.872
  380    HG   LEU  13           HG       LEU  13   7.603  -1.270   3.942
  381   HD11  LEU  13          HD11      LEU  13   8.319   0.552   2.514
  382   HD12  LEU  13          HD12      LEU  13   7.884   1.160   4.112
  383   HD13  LEU  13          HD13      LEU  13   6.777   1.371   2.756
  384   HD21  LEU  13          HD21      LEU  13   5.372  -1.390   4.873
  385   HD22  LEU  13          HD22      LEU  13   4.965   0.174   4.169
  386   HD23  LEU  13          HD23      LEU  13   6.178   0.070   5.443
  387    H    LEU  14           H        LEU  14   6.553  -3.693   0.319
  388    HA   LEU  14           HA       LEU  14   4.416  -3.293  -1.440
  389    HB2  LEU  14           HB3      LEU  14   6.686  -3.770  -2.203
  390    HB3  LEU  14           HB2      LEU  14   6.604  -5.379  -1.524
  391    HG   LEU  14           HG       LEU  14   4.746  -5.887  -3.128
  392   HD11  LEU  14          HD11      LEU  14   4.516  -4.413  -5.083
  393   HD12  LEU  14          HD12      LEU  14   5.556  -3.228  -4.295
  394   HD13  LEU  14          HD13      LEU  14   3.992  -3.635  -3.592
  395   HD21  LEU  14          HD21      LEU  14   7.408  -5.060  -4.271
  396   HD22  LEU  14          HD22      LEU  14   6.242  -6.114  -5.069
  397   HD23  LEU  14          HD23      LEU  14   7.008  -6.624  -3.564
  398    H    SER  15           H        SER  15   5.279  -6.088   0.597
  399    HA   SER  15           HA       SER  15   3.187  -7.778  -0.169
  400    HB2  SER  15           HB3      SER  15   5.103  -8.489   1.223
  401    HB3  SER  15           HB2      SER  15   4.494  -7.508   2.554
  402    HG   SER  15           HG       SER  15   3.320  -9.156   3.073
  403    H    LYS  16           H        LYS  16   3.339  -5.256   2.315
  404    HA   LYS  16           HA       LYS  16   0.687  -5.625   3.254
  405    HB2  LYS  16           HB3      LYS  16   2.430  -4.449   4.561
  406    HB3  LYS  16           HB2      LYS  16   2.410  -3.140   3.386
  407    HG2  LYS  16           HG3      LYS  16  -0.045  -2.873   3.921
  408    HG3  LYS  16           HG2      LYS  16   0.233  -3.963   5.278
  409    HD2  LYS  16           HD3      LYS  16   1.816  -2.439   6.251
  410    HD3  LYS  16           HD2      LYS  16   1.752  -1.397   4.828
  411    HE2  LYS  16           HE3      LYS  16  -0.712  -1.108   5.309
  412    HE3  LYS  16           HE2      LYS  16  -0.417  -1.898   6.855
  413    HZ1  LYS  16           HZ1      LYS  16   1.089  -0.166   7.466
  414    HZ2  LYS  16           HZ2      LYS  16  -0.372   0.542   6.975
  415    HZ3  LYS  16           HZ3      LYS  16   0.968   0.557   5.941
  416    H    ASN  17           H        ASN  17   2.151  -3.467   0.862
  417    HA   ASN  17           HA       ASN  17  -0.034  -1.864   0.270
  418    HB2  ASN  17           HB3      ASN  17   2.328  -1.585  -0.579
  419    HB3  ASN  17           HB2      ASN  17   1.999  -2.866  -1.737
  420   HD21  ASN  17          HD21      ASN  17   1.427   0.476  -0.927
  421   HD22  ASN  17          HD22      ASN  17   0.617   0.886  -2.390
  422    H    TYR  18           H        TYR  18   0.842  -5.036  -1.057
  423    HA   TYR  18           HA       TYR  18  -1.159  -5.224  -2.975
  424    HB2  TYR  18           HB3      TYR  18   0.685  -6.742  -3.018
  425    HB3  TYR  18           HB2      TYR  18   0.356  -7.288  -1.376
  426    HD1  TYR  18           HD1      TYR  18  -0.970  -7.295  -4.822
  427    HD2  TYR  18           HD2      TYR  18  -1.088  -9.071  -0.971
  428    HE1  TYR  18           HE1      TYR  18  -2.389  -9.079  -5.695
  429    HE2  TYR  18           HE2      TYR  18  -2.503 -10.863  -1.831
  430    HH   TYR  18           HH       TYR  18  -3.013 -11.376  -5.174
  431    H    HIS  19           H        HIS  19  -1.122  -5.996   0.468
  432    HA   HIS  19           HA       HIS  19  -3.564  -7.336   0.652
  433    HB2  HIS  19           HB3      HIS  19  -1.892  -7.155   2.501
  434    HB3  HIS  19           HB2      HIS  19  -2.375  -5.471   2.723
  435    HD1  HIS  19           HD1      HIS  19  -3.633  -5.431   4.864
  436    HD2  HIS  19           HD2      HIS  19  -4.714  -8.669   2.488
  437    HE1  HIS  19           HE1      HIS  19  -5.546  -6.539   6.058
  438    HE2  HIS  19           HE2      HIS  19  -6.071  -8.585   4.687
  439    H    LEU  20           H        LEU  20  -2.859  -3.868   1.031
  440    HA   LEU  20           HA       LEU  20  -5.540  -3.163   1.584
  441    HB2  LEU  20           HB3      LEU  20  -3.199  -1.499   0.691
  442    HB3  LEU  20           HB2      LEU  20  -4.782  -0.834   0.989
  443    HG   LEU  20           HG       LEU  20  -3.334  -0.450   2.885
  444   HD11  LEU  20          HD11      LEU  20  -4.787  -1.248   4.619
  445   HD12  LEU  20          HD12      LEU  20  -5.447  -2.479   3.545
  446   HD13  LEU  20          HD13      LEU  20  -5.741  -0.774   3.215
  447   HD21  LEU  20          HD21      LEU  20  -2.557  -2.249   4.296
  448   HD22  LEU  20          HD22      LEU  20  -1.853  -2.358   2.683
  449   HD23  LEU  20          HD23      LEU  20  -3.172  -3.434   3.145
  450    H    GLU  21           H        GLU  21  -3.672  -3.253  -1.426
  451    HA   GLU  21           HA       GLU  21  -5.510  -1.972  -3.094
  452    HB2  GLU  21           HB3      GLU  21  -3.669  -4.281  -3.737
  453    HB3  GLU  21           HB2      GLU  21  -4.533  -3.341  -4.941
  454    HG2  GLU  21           HG3      GLU  21  -3.300  -1.327  -4.174
  455    HG3  GLU  21           HG2      GLU  21  -2.376  -2.362  -3.084
  456    H    ASN  22           H        ASN  22  -5.321  -5.351  -2.098
  457    HA   ASN  22           HA       ASN  22  -7.517  -6.237  -3.655
  458    HB2  ASN  22           HB3      ASN  22  -6.139  -7.381  -1.231
  459    HB3  ASN  22           HB2      ASN  22  -7.508  -8.180  -1.996
  460   HD21  ASN  22          HD21      ASN  22  -6.277  -9.958  -2.532
  461   HD22  ASN  22          HD22      ASN  22  -5.103  -9.925  -3.802
  462    H    GLU  23           H        GLU  23  -7.212  -5.147  -0.301
  463    HA   GLU  23           HA       GLU  23  -9.833  -5.646   0.537
  464    HB2  GLU  23           HB3      GLU  23  -8.010  -3.385   1.384
  465    HB3  GLU  23           HB2      GLU  23  -9.435  -3.931   2.257
  466    HG2  GLU  23           HG3      GLU  23  -6.936  -5.530   1.757
  467    HG3  GLU  23           HG2      GLU  23  -7.407  -4.772   3.278
  468    H    VAL  24           H        VAL  24  -8.412  -2.767  -0.950
  469    HA   VAL  24           HA       VAL  24 -10.593  -1.076  -0.933
  470    HB   VAL  24           HB       VAL  24  -8.393  -1.348  -2.988
  471   HG11  VAL  24          HG11      VAL  24 -10.325  -0.273  -4.031
  472   HG12  VAL  24          HG12      VAL  24  -9.009   0.875  -3.788
  473   HG13  VAL  24          HG13      VAL  24 -10.400   0.886  -2.705
  474   HG21  VAL  24          HG21      VAL  24  -8.837   0.541  -0.683
  475   HG22  VAL  24          HG22      VAL  24  -7.549   0.699  -1.873
  476   HG23  VAL  24          HG23      VAL  24  -7.597  -0.707  -0.810
  477    H    ALA  25           H        ALA  25  -9.641  -3.383  -3.470
  478    HA   ALA  25           HA       ALA  25 -11.719  -2.842  -5.258
  479    HB1  ALA  25           HB1      ALA  25 -10.257  -5.448  -4.897
  480    HB2  ALA  25           HB2      ALA  25  -9.679  -4.072  -5.835
  481    HB3  ALA  25           HB3      ALA  25 -11.139  -4.925  -6.331
  482    H    ARG  26           H        ARG  26 -11.563  -5.245  -2.637
  483    HA   ARG  26           HA       ARG  26 -13.997  -6.537  -3.248
  484    HB2  ARG  26           HB3      ARG  26 -12.675  -6.245  -0.545
  485    HB3  ARG  26           HB2      ARG  26 -13.889  -7.439  -0.982
  486    HG2  ARG  26           HG3      ARG  26 -11.108  -7.223  -2.091
  487    HG3  ARG  26           HG2      ARG  26 -11.701  -8.443  -0.962
  488    HD2  ARG  26           HD2      ARG  26 -13.332  -9.166  -2.693
  489    HD3  ARG  26           HD1      ARG  26 -12.580  -8.031  -3.813
  490    HE   ARG  26           HE       ARG  26 -10.773  -9.932  -2.603
  491   HH11  ARG  26          HH11      ARG  26 -12.842  -9.196  -5.329
  492   HH12  ARG  26          HH12      ARG  26 -12.099 -10.365  -6.372
  493   HH21  ARG  26          HH21      ARG  26  -9.777 -11.461  -3.990
  494   HH22  ARG  26          HH22      ARG  26 -10.343 -11.635  -5.616
  495    H    LEU  27           H        LEU  27 -13.201  -3.859  -1.103
  496    HA   LEU  27           HA       LEU  27 -15.788  -3.513  -0.039
  497    HB2  LEU  27           HB3      LEU  27 -13.504  -1.569  -0.345
  498    HB3  LEU  27           HB2      LEU  27 -14.970  -1.221   0.555
  499    HG   LEU  27           HG       LEU  27 -13.118  -3.505   1.193
  500   HD11  LEU  27          HD11      LEU  27 -13.291  -0.776   2.442
  501   HD12  LEU  27          HD12      LEU  27 -11.944  -1.422   1.504
  502   HD13  LEU  27          HD13      LEU  27 -12.350  -2.131   3.065
  503   HD21  LEU  27          HD21      LEU  27 -14.323  -3.491   3.347
  504   HD22  LEU  27          HD22      LEU  27 -15.368  -3.875   1.981
  505   HD23  LEU  27          HD23      LEU  27 -15.413  -2.265   2.701
  506    H    LYS  28           H        LYS  28 -14.283  -2.243  -2.974
  507    HA   LYS  28           HA       LYS  28 -16.395  -0.470  -3.623
  508    HB2  LYS  28           HB3      LYS  28 -14.350  -1.836  -5.387
  509    HB3  LYS  28           HB2      LYS  28 -15.478  -0.619  -5.963
  510    HG2  LYS  28           HG3      LYS  28 -14.503   0.992  -4.374
  511    HG3  LYS  28           HG2      LYS  28 -13.334  -0.233  -3.886
  512    HD2  LYS  28           HD3      LYS  28 -12.416  -0.308  -6.119
  513    HD3  LYS  28           HD2      LYS  28 -13.667   0.813  -6.702
  514    HE2  LYS  28           HE3      LYS  28 -12.789   2.533  -5.170
  515    HE3  LYS  28           HE2      LYS  28 -11.523   1.420  -4.660
  516    HZ1  LYS  28           HZ1      LYS  28 -11.909   2.494  -7.399
  517    HZ2  LYS  28           HZ2      LYS  28 -10.723   1.373  -6.956
  518    HZ3  LYS  28           HZ3      LYS  28 -10.690   2.936  -6.312
  519    H    LYS  29           H        LYS  29 -15.723  -3.843  -4.466
  520    HA   LYS  29           HA       LYS  29 -17.900  -4.348  -6.103
  521    HB2  LYS  29           HB3      LYS  29 -16.113  -5.961  -5.784
  522    HB3  LYS  29           HB2      LYS  29 -16.524  -6.139  -4.088
  523    HG2  LYS  29           HG3      LYS  29 -18.721  -7.088  -4.796
  524    HG3  LYS  29           HG2      LYS  29 -18.135  -7.061  -6.461
  525    HD2  LYS  29           HD3      LYS  29 -16.262  -8.504  -5.818
  526    HD3  LYS  29           HD2      LYS  29 -16.864  -8.540  -4.162
  527    HE2  LYS  29           HE3      LYS  29 -18.950  -9.570  -4.964
  528    HE3  LYS  29           HE2      LYS  29 -18.301  -9.574  -6.603
  529    HZ1  LYS  29           HZ1      LYS  29 -17.220 -11.056  -4.269
  530    HZ2  LYS  29           HZ2      LYS  29 -16.479 -10.996  -5.788
  531    HZ3  LYS  29           HZ3      LYS  29 -17.997 -11.720  -5.617
  532    H    LEU  30           H        LEU  30 -17.728  -4.119  -2.602
  533    HA   LEU  30           HA       LEU  30 -20.305  -5.174  -2.063
  534    HB2  LEU  30           HB3      LEU  30 -18.578  -3.303  -0.443
  535    HB3  LEU  30           HB2      LEU  30 -20.042  -4.066   0.147
  536    HG   LEU  30           HG       LEU  30 -17.525  -5.506  -0.701
  537   HD11  LEU  30          HD11      LEU  30 -18.734  -5.097   2.030
  538   HD12  LEU  30          HD12      LEU  30 -17.300  -4.281   1.409
  539   HD13  LEU  30          HD13      LEU  30 -17.283  -6.026   1.659
  540   HD21  LEU  30          HD21      LEU  30 -19.476  -6.851  -1.180
  541   HD22  LEU  30          HD22      LEU  30 -20.119  -6.546   0.434
  542   HD23  LEU  30          HD23      LEU  30 -18.645  -7.493   0.236
  543    H    VAL  31           H        VAL  31 -19.136  -1.791  -2.077
  544    HA   VAL  31           HA       VAL  31 -21.699  -0.636  -1.844
  545    HB   VAL  31           HB       VAL  31 -19.256   0.605  -3.131
  546   HG11  VAL  31          HG11      VAL  31 -21.661   1.865  -1.818
  547   HG12  VAL  31          HG12      VAL  31 -21.294   1.864  -3.543
  548   HG13  VAL  31          HG13      VAL  31 -20.248   2.732  -2.420
  549   HG21  VAL  31          HG21      VAL  31 -18.759   1.518  -0.910
  550   HG22  VAL  31          HG22      VAL  31 -18.694  -0.244  -0.928
  551   HG23  VAL  31          HG23      VAL  31 -20.091   0.579  -0.234
  552    H    GLY  32           H        GLY  32 -19.829  -1.659  -4.652
  553    HA2  GLY  32           HA3      GLY  32 -21.272  -2.378  -6.561
  554    HA3  GLY  32           HA2      GLY  32 -22.055  -0.810  -6.387
  555    H    GLU  33           H        GLU  33 -20.827   1.081  -6.770
  556    HA   GLU  33           HA       GLU  33 -19.407   2.414  -7.914
  557    HB2  GLU  33           HB3      GLU  33 -17.503   0.259  -7.011
  558    HB3  GLU  33           HB2      GLU  33 -16.981   1.769  -7.735
  559    HG2  GLU  33           HG3      GLU  33 -18.557   1.488  -5.189
  560    HG3  GLU  33           HG2      GLU  33 -16.834   1.839  -5.306
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  27.705   1.231  -3.312
    2    H2   GLY   1           H2       GLY   1  27.014   2.269  -4.454
    3    H3   GLY   1           H3       GLY   1  26.722   0.604  -4.536
    4    HA2  GLY   1           HA2      GLY   1  25.528   0.668  -2.455
    5    HA3  GLY   1           HA3      GLY   1  25.851   2.391  -2.342
    6    H    SER   2           H        SER   2  23.286   1.337  -2.274
    7    HA   SER   2           HA       SER   2  22.170   2.480  -4.738
    8    HB2  SER   2           HB3      SER   2  21.042   0.053  -3.317
    9    HB3  SER   2           HB2      SER   2  20.463   0.764  -4.823
   10    HG   SER   2           HG       SER   2  22.276   0.062  -5.862
   11    H    MET   3           H        MET   3  22.684   3.694  -2.230
   12    HA   MET   3           HA       MET   3  20.477   3.524  -0.472
   13    HB2  MET   3           HB3      MET   3  22.799   5.411  -0.698
   14    HB3  MET   3           HB2      MET   3  21.523   5.675   0.481
   15    HG2  MET   3           HG3      MET   3  23.410   4.510   1.473
   16    HG3  MET   3           HG2      MET   3  21.968   3.502   1.478
   17    HE1  MET   3           HE1      MET   3  24.651   2.180   2.108
   18    HE2  MET   3           HE2      MET   3  24.691   0.780   1.036
   19    HE3  MET   3           HE3      MET   3  23.192   1.219   1.856
   20    H    LYS   4           H        LYS   4  21.365   5.903  -2.964
   21    HA   LYS   4           HA       LYS   4  19.140   7.575  -2.578
   22    HB2  LYS   4           HB3      LYS   4  19.514   8.311  -4.913
   23    HB3  LYS   4           HB2      LYS   4  20.992   8.291  -3.964
   24    HG2  LYS   4           HG3      LYS   4  21.661   6.203  -5.003
   25    HG3  LYS   4           HG2      LYS   4  20.154   6.155  -5.915
   26    HD2  LYS   4           HD3      LYS   4  22.197   8.363  -6.120
   27    HD3  LYS   4           HD2      LYS   4  22.114   6.985  -7.216
   28    HE2  LYS   4           HE3      LYS   4  19.841   7.637  -7.855
   29    HE3  LYS   4           HE2      LYS   4  19.933   9.020  -6.765
   30    HZ1  LYS   4           HZ1      LYS   4  21.721   8.572  -9.091
   31    HZ2  LYS   4           HZ2      LYS   4  21.716   9.926  -8.081
   32    HZ3  LYS   4           HZ3      LYS   4  20.390   9.612  -9.080
   33    H    GLN   5           H        GLN   5  19.486   4.516  -4.216
   34    HA   GLN   5           HA       GLN   5  17.143   4.744  -5.802
   35    HB2  GLN   5           HB3      GLN   5  18.785   2.322  -5.064
   36    HB3  GLN   5           HB2      GLN   5  17.493   2.331  -6.256
   37    HG2  GLN   5           HG3      GLN   5  20.088   3.850  -6.383
   38    HG3  GLN   5           HG2      GLN   5  19.605   2.477  -7.378
   39   HE21  GLN   5          HE21      GLN   5  18.047   2.779  -8.993
   40   HE22  GLN   5          HE22      GLN   5  17.648   4.354  -9.589
   41    H    LEU   6           H        LEU   6  17.862   2.843  -2.830
   42    HA   LEU   6           HA       LEU   6  15.185   1.852  -2.826
   43    HB2  LEU   6           HB3      LEU   6  15.679   0.544  -0.998
   44    HB3  LEU   6           HB2      LEU   6  17.211   0.659  -1.817
   45    HG   LEU   6           HG       LEU   6  17.638   0.737   0.502
   46   HD11  LEU   6          HD11      LEU   6  18.689   2.887   0.853
   47   HD12  LEU   6          HD12      LEU   6  17.833   3.529  -0.549
   48   HD13  LEU   6          HD13      LEU   6  19.012   2.231  -0.751
   49   HD21  LEU   6          HD21      LEU   6  15.424   1.288   1.311
   50   HD22  LEU   6          HD22      LEU   6  15.623   2.953   0.760
   51   HD23  LEU   6          HD23      LEU   6  16.646   2.325   2.052
   52    H    GLU   7           H        GLU   7  16.714   4.645  -1.454
   53    HA   GLU   7           HA       GLU   7  14.817   5.268   0.508
   54    HB2  GLU   7           HB3      GLU   7  16.636   6.979  -1.164
   55    HB3  GLU   7           HB2      GLU   7  15.513   7.694  -0.016
   56    HG2  GLU   7           HG3      GLU   7  17.646   5.675   0.658
   57    HG3  GLU   7           HG2      GLU   7  17.769   7.433   0.906
   58    H    ASP   8           H        ASP   8  14.859   5.923  -2.972
   59    HA   ASP   8           HA       ASP   8  12.388   7.333  -2.960
   60    HB2  ASP   8           HB3      ASP   8  14.023   6.024  -5.100
   61    HB3  ASP   8           HB2      ASP   8  12.385   6.561  -5.459
   62    H    LYS   9           H        LYS   9  13.213   3.982  -3.743
   63    HA   LYS   9           HA       LYS   9  10.620   3.091  -4.344
   64    HB2  LYS   9           HB3      LYS   9  12.551   1.249  -2.950
   65    HB3  LYS   9           HB2      LYS   9  11.366   0.881  -4.194
   66    HG2  LYS   9           HG3      LYS   9  12.730   2.264  -5.794
   67    HG3  LYS   9           HG2      LYS   9  13.987   2.301  -4.559
   68    HD2  LYS   9           HD3      LYS   9  12.808  -0.215  -5.733
   69    HD3  LYS   9           HD2      LYS   9  14.310   0.530  -6.275
   70    HE2  LYS   9           HE3      LYS   9  15.250   0.234  -4.024
   71    HE3  LYS   9           HE2      LYS   9  13.751  -0.537  -3.508
   72    HZ1  LYS   9           HZ1      LYS   9  15.520  -1.541  -5.671
   73    HZ2  LYS   9           HZ2      LYS   9  14.133  -2.303  -5.081
   74    HZ3  LYS   9           HZ3      LYS   9  15.493  -2.141  -4.092
   75    H    VAL  10           H        VAL  10  12.308   2.954  -1.219
   76    HA   VAL  10           HA       VAL  10  10.278   1.545   0.160
   77    HB   VAL  10           HB       VAL  10  12.674   1.791   0.917
   78   HG11  VAL  10          HG11      VAL  10  11.715   4.480   1.892
   79   HG12  VAL  10          HG12      VAL  10  12.932   4.193   0.650
   80   HG13  VAL  10          HG13      VAL  10  13.246   3.718   2.317
   81   HG21  VAL  10          HG21      VAL  10  11.006   0.814   2.362
   82   HG22  VAL  10          HG22      VAL  10  10.493   2.411   2.905
   83   HG23  VAL  10          HG23      VAL  10  12.101   1.816   3.314
   84    H    GLU  11           H        GLU  11  10.894   4.865  -0.555
   85    HA   GLU  11           HA       GLU  11   8.860   5.967   1.150
   86    HB2  GLU  11           HB3      GLU  11  10.884   7.205   0.352
   87    HB3  GLU  11           HB2      GLU  11  10.173   7.239  -1.254
   88    HG2  GLU  11           HG3      GLU  11   9.780   9.339  -0.204
   89    HG3  GLU  11           HG2      GLU  11   8.245   8.481  -0.319
   90    H    GLU  12           H        GLU  12   9.073   5.408  -2.384
   91    HA   GLU  12           HA       GLU  12   6.621   6.494  -3.115
   92    HB2  GLU  12           HB3      GLU  12   8.369   5.865  -4.713
   93    HB3  GLU  12           HB2      GLU  12   8.102   4.166  -4.351
   94    HG2  GLU  12           HG3      GLU  12   5.778   4.416  -5.198
   95    HG3  GLU  12           HG2      GLU  12   6.188   6.058  -5.692
   96    H    LEU  13           H        LEU  13   7.354   3.055  -2.648
   97    HA   LEU  13           HA       LEU  13   4.854   1.965  -2.742
   98    HB2  LEU  13           HB3      LEU  13   7.116   1.233  -0.889
   99    HB3  LEU  13           HB2      LEU  13   5.697   0.240  -1.150
  100    HG   LEU  13           HG       LEU  13   7.719   0.984  -3.266
  101   HD11  LEU  13          HD11      LEU  13   8.347  -1.380  -3.157
  102   HD12  LEU  13          HD12      LEU  13   7.230  -1.612  -1.813
  103   HD13  LEU  13          HD13      LEU  13   8.631  -0.559  -1.623
  104   HD21  LEU  13          HD21      LEU  13   5.311  -0.832  -3.355
  105   HD22  LEU  13          HD22      LEU  13   6.527  -0.696  -4.624
  106   HD23  LEU  13          HD23      LEU  13   5.513   0.689  -4.225
  107    H    LEU  14           H        LEU  14   6.429   3.253   0.182
  108    HA   LEU  14           HA       LEU  14   4.329   2.768   1.947
  109    HB2  LEU  14           HB3      LEU  14   6.576   3.302   2.705
  110    HB3  LEU  14           HB2      LEU  14   6.450   4.914   2.031
  111    HG   LEU  14           HG       LEU  14   4.673   5.447   3.661
  112   HD11  LEU  14          HD11      LEU  14   5.271   2.693   4.728
  113   HD12  LEU  14          HD12      LEU  14   3.746   3.253   4.042
  114   HD13  LEU  14          HD13      LEU  14   4.325   3.920   5.567
  115   HD21  LEU  14          HD21      LEU  14   7.019   5.961   4.144
  116   HD22  LEU  14          HD22      LEU  14   7.203   4.383   4.907
  117   HD23  LEU  14          HD23      LEU  14   6.117   5.582   5.610
  118    H    SER  15           H        SER  15   4.991   5.578  -0.123
  119    HA   SER  15           HA       SER  15   2.851   7.173   0.757
  120    HB2  SER  15           HB3      SER  15   4.715   7.903  -0.771
  121    HB3  SER  15           HB2      SER  15   3.931   7.005  -2.068
  122    HG   SER  15           HG       SER  15   2.845   8.768  -2.371
  123    H    LYS  16           H        LYS  16   3.037   4.559  -1.592
  124    HA   LYS  16           HA       LYS  16   0.343   4.792  -2.481
  125    HB2  LYS  16           HB3      LYS  16   2.106   3.698  -3.818
  126    HB3  LYS  16           HB2      LYS  16   2.225   2.426  -2.614
  127    HG2  LYS  16           HG3      LYS  16  -0.071   1.744  -3.100
  128    HG3  LYS  16           HG2      LYS  16  -0.194   3.029  -4.305
  129    HD2  LYS  16           HD3      LYS  16   1.569   2.013  -5.619
  130    HD3  LYS  16           HD2      LYS  16   1.829   0.792  -4.377
  131    HE2  LYS  16           HE3      LYS  16  -0.477  -0.032  -4.765
  132    HE3  LYS  16           HE2      LYS  16  -0.645   1.129  -6.081
  133    HZ1  LYS  16           HZ1      LYS  16   1.232   0.053  -7.187
  134    HZ2  LYS  16           HZ2      LYS  16  -0.047  -1.022  -6.939
  135    HZ3  LYS  16           HZ3      LYS  16   1.320  -1.092  -5.948
  136    H    ASN  17           H        ASN  17   1.979   2.828   0.009
  137    HA   ASN  17           HA       ASN  17  -0.179   1.304   0.876
  138    HB2  ASN  17           HB3      ASN  17   1.996   2.599   2.546
  139    HB3  ASN  17           HB2      ASN  17   0.845   1.438   3.185
  140   HD21  ASN  17          HD21      ASN  17   1.064  -0.780   2.575
  141   HD22  ASN  17          HD22      ASN  17   2.518  -1.361   1.847
  142    H    TYR  18           H        TYR  18   0.795   4.543   1.962
  143    HA   TYR  18           HA       TYR  18  -1.202   5.119   3.736
  144    HB2  TYR  18           HB3      TYR  18   0.868   6.482   2.823
  145    HB3  TYR  18           HB2      TYR  18  -0.356   7.224   1.796
  146    HD1  TYR  18           HD1      TYR  18   0.557   6.548   5.305
  147    HD2  TYR  18           HD2      TYR  18  -1.781   8.899   2.648
  148    HE1  TYR  18           HE1      TYR  18  -0.051   8.016   7.158
  149    HE2  TYR  18           HE2      TYR  18  -2.401  10.385   4.503
  150    HH   TYR  18           HH       TYR  18  -2.550  10.341   6.939
  151    H    HIS  19           H        HIS  19  -1.248   5.717   0.231
  152    HA   HIS  19           HA       HIS  19  -3.821   6.824   0.116
  153    HB2  HIS  19           HB3      HIS  19  -2.043   5.529  -1.919
  154    HB3  HIS  19           HB2      HIS  19  -3.695   5.961  -2.345
  155    HD1  HIS  19           HD1      HIS  19  -4.212   8.417  -2.716
  156    HD2  HIS  19           HD2      HIS  19  -0.328   7.739  -1.407
  157    HE1  HIS  19           HE1      HIS  19  -3.011  10.607  -3.005
  158    HE2  HIS  19           HE2      HIS  19  -0.628  10.133  -2.340
  159    H    LEU  20           H        LEU  20  -2.772   3.474  -0.506
  160    HA   LEU  20           HA       LEU  20  -5.339   2.472  -1.083
  161    HB2  LEU  20           HB3      LEU  20  -2.956   1.014   0.055
  162    HB3  LEU  20           HB2      LEU  20  -4.372   0.256  -0.640
  163    HG   LEU  20           HG       LEU  20  -2.475   2.040  -2.164
  164   HD11  LEU  20          HD11      LEU  20  -1.755  -0.064  -3.238
  165   HD12  LEU  20          HD12      LEU  20  -2.711  -0.959  -2.058
  166   HD13  LEU  20          HD13      LEU  20  -1.343   0.016  -1.526
  167   HD21  LEU  20          HD21      LEU  20  -4.718   2.066  -3.083
  168   HD22  LEU  20          HD22      LEU  20  -4.770   0.305  -3.065
  169   HD23  LEU  20          HD23      LEU  20  -3.644   1.142  -4.133
  170    H    GLU  21           H        GLU  21  -3.510   2.661   1.918
  171    HA   GLU  21           HA       GLU  21  -5.250   1.172   3.540
  172    HB2  GLU  21           HB3      GLU  21  -2.808   2.177   3.899
  173    HB3  GLU  21           HB2      GLU  21  -3.701   3.481   4.657
  174    HG2  GLU  21           HG3      GLU  21  -3.827   0.581   5.486
  175    HG3  GLU  21           HG2      GLU  21  -2.830   1.820   6.241
  176    H    ASN  22           H        ASN  22  -5.131   4.617   2.748
  177    HA   ASN  22           HA       ASN  22  -7.277   5.391   4.430
  178    HB2  ASN  22           HB3      ASN  22  -6.123   6.665   1.948
  179    HB3  ASN  22           HB2      ASN  22  -7.414   7.397   2.892
  180   HD21  ASN  22          HD21      ASN  22  -6.272   6.390   5.428
  181   HD22  ASN  22          HD22      ASN  22  -4.915   7.415   5.750
  182    H    GLU  23           H        GLU  23  -7.117   4.369   1.042
  183    HA   GLU  23           HA       GLU  23  -9.816   4.823   0.410
  184    HB2  GLU  23           HB3      GLU  23  -7.828   2.857  -0.721
  185    HB3  GLU  23           HB2      GLU  23  -9.440   3.088  -1.383
  186    HG2  GLU  23           HG3      GLU  23  -7.277   5.170  -1.195
  187    HG3  GLU  23           HG2      GLU  23  -7.803   4.331  -2.654
  188    H    VAL  24           H        VAL  24  -8.185   2.054   1.876
  189    HA   VAL  24           HA       VAL  24 -10.306   0.246   1.848
  190    HB   VAL  24           HB       VAL  24  -8.212   0.569   4.009
  191   HG11  VAL  24          HG11      VAL  24 -10.080  -0.750   4.806
  192   HG12  VAL  24          HG12      VAL  24  -8.697  -1.802   4.505
  193   HG13  VAL  24          HG13      VAL  24 -10.030  -1.748   3.354
  194   HG21  VAL  24          HG21      VAL  24  -7.223   0.208   1.815
  195   HG22  VAL  24          HG22      VAL  24  -8.266  -1.190   1.557
  196   HG23  VAL  24          HG23      VAL  24  -7.035  -1.228   2.819
  197    H    ALA  25           H        ALA  25  -9.328   2.404   4.527
  198    HA   ALA  25           HA       ALA  25 -11.565   2.038   6.149
  199    HB1  ALA  25           HB1      ALA  25 -10.928   4.105   7.252
  200    HB2  ALA  25           HB2      ALA  25  -9.905   4.542   5.884
  201    HB3  ALA  25           HB3      ALA  25  -9.499   3.142   6.879
  202    H    ARG  26           H        ARG  26 -11.018   4.414   3.587
  203    HA   ARG  26           HA       ARG  26 -13.278   5.978   3.772
  204    HB2  ARG  26           HB3      ARG  26 -11.409   6.400   2.254
  205    HB3  ARG  26           HB2      ARG  26 -11.838   4.988   1.306
  206    HG2  ARG  26           HG3      ARG  26 -13.972   6.078   0.714
  207    HG3  ARG  26           HG2      ARG  26 -13.445   7.516   1.596
  208    HD2  ARG  26           HD2      ARG  26 -11.473   7.663   0.134
  209    HD3  ARG  26           HD1      ARG  26 -12.048   6.263  -0.767
  210    HE   ARG  26           HE       ARG  26 -13.986   8.357  -0.668
  211   HH11  ARG  26          HH11      ARG  26 -11.093   7.241  -2.312
  212   HH12  ARG  26          HH12      ARG  26 -11.415   8.157  -3.754
  213   HH21  ARG  26          HH21      ARG  26 -14.409   9.548  -2.572
  214   HH22  ARG  26          HH22      ARG  26 -13.302   9.459  -3.907
  215    H    LEU  27           H        LEU  27 -12.883   3.044   1.790
  216    HA   LEU  27           HA       LEU  27 -15.561   2.960   0.917
  217    HB2  LEU  27           HB3      LEU  27 -13.406   0.864   1.038
  218    HB3  LEU  27           HB2      LEU  27 -14.976   0.571   0.308
  219    HG   LEU  27           HG       LEU  27 -13.152   2.791  -0.570
  220   HD11  LEU  27          HD11      LEU  27 -13.411   0.025  -1.709
  221   HD12  LEU  27          HD12      LEU  27 -12.006   0.684  -0.873
  222   HD13  LEU  27          HD13      LEU  27 -12.503   1.357  -2.425
  223   HD21  LEU  27          HD21      LEU  27 -15.521   1.465  -1.872
  224   HD22  LEU  27          HD22      LEU  27 -14.524   2.726  -2.598
  225   HD23  LEU  27          HD23      LEU  27 -15.491   3.080  -1.166
  226    H    LYS  28           H        LYS  28 -14.003   1.617   3.767
  227    HA   LYS  28           HA       LYS  28 -16.078  -0.119   4.542
  228    HB2  LYS  28           HB3      LYS  28 -13.931   1.300   6.109
  229    HB3  LYS  28           HB2      LYS  28 -15.098   0.232   6.876
  230    HG2  LYS  28           HG3      LYS  28 -14.351  -1.584   5.381
  231    HG3  LYS  28           HG2      LYS  28 -13.112  -0.501   4.745
  232    HD2  LYS  28           HD3      LYS  28 -11.958  -0.430   6.783
  233    HD3  LYS  28           HD2      LYS  28 -13.356  -1.050   7.690
  234    HE2  LYS  28           HE3      LYS  28 -11.602  -2.582   5.762
  235    HE3  LYS  28           HE2      LYS  28 -11.698  -2.785   7.510
  236    HZ1  LYS  28           HZ1      LYS  28 -14.158  -3.290   7.075
  237    HZ2  LYS  28           HZ2      LYS  28 -13.016  -4.478   6.684
  238    HZ3  LYS  28           HZ3      LYS  28 -13.686  -3.525   5.463
  239    H    LYS  29           H        LYS  29 -15.384   3.257   5.332
  240    HA   LYS  29           HA       LYS  29 -17.520   3.803   7.011
  241    HB2  LYS  29           HB3      LYS  29 -15.734   5.398   6.670
  242    HB3  LYS  29           HB2      LYS  29 -16.130   5.547   4.966
  243    HG2  LYS  29           HG3      LYS  29 -18.322   6.537   5.639
  244    HG3  LYS  29           HG2      LYS  29 -17.746   6.538   7.307
  245    HD2  LYS  29           HD3      LYS  29 -15.854   7.948   6.651
  246    HD3  LYS  29           HD2      LYS  29 -16.443   7.959   4.988
  247    HE2  LYS  29           HE3      LYS  29 -18.523   9.023   5.752
  248    HE3  LYS  29           HE2      LYS  29 -17.892   9.045   7.397
  249    HZ1  LYS  29           HZ1      LYS  29 -16.081  10.460   6.637
  250    HZ2  LYS  29           HZ2      LYS  29 -17.583  11.175   6.332
  251    HZ3  LYS  29           HZ3      LYS  29 -16.716  10.460   5.068
  252    H    LEU  30           H        LEU  30 -17.421   3.517   3.518
  253    HA   LEU  30           HA       LEU  30 -20.046   4.629   3.136
  254    HB2  LEU  30           HB3      LEU  30 -18.302   3.068   1.230
  255    HB3  LEU  30           HB2      LEU  30 -19.751   3.953   0.796
  256    HG   LEU  30           HG       LEU  30 -17.204   5.179   1.861
  257   HD11  LEU  30          HD11      LEU  30 -16.964   6.084  -0.393
  258   HD12  LEU  30          HD12      LEU  30 -18.401   5.199  -0.906
  259   HD13  LEU  30          HD13      LEU  30 -16.956   4.321  -0.404
  260   HD21  LEU  30          HD21      LEU  30 -19.761   6.446   0.885
  261   HD22  LEU  30          HD22      LEU  30 -18.274   7.312   1.270
  262   HD23  LEU  30          HD23      LEU  30 -19.149   6.457   2.539
  263    H    VAL  31           H        VAL  31 -18.680   1.354   2.606
  264    HA   VAL  31           HA       VAL  31 -21.197   0.178   2.141
  265    HB   VAL  31           HB       VAL  31 -19.075  -0.783   1.338
  266   HG11  VAL  31          HG11      VAL  31 -17.669  -0.435   3.268
  267   HG12  VAL  31          HG12      VAL  31 -17.700  -2.147   2.849
  268   HG13  VAL  31          HG13      VAL  31 -18.647  -1.556   4.215
  269   HG21  VAL  31          HG21      VAL  31 -19.636  -3.131   1.767
  270   HG22  VAL  31          HG22      VAL  31 -21.057  -2.159   1.385
  271   HG23  VAL  31          HG23      VAL  31 -20.727  -2.617   3.054
  272    H    GLY  32           H        GLY  32 -19.404   0.716   5.113
  273    HA2  GLY  32           HA3      GLY  32 -20.280   0.641   7.269
  274    HA3  GLY  32           HA2      GLY  32 -21.704  -0.176   6.642
  275    H    GLU  33           H        GLU  33 -18.236  -0.953   6.472
  276    HA   GLU  33           HA       GLU  33 -18.814  -3.475   7.864
  277    HB2  GLU  33           HB3      GLU  33 -18.732  -3.812   5.376
  278    HB3  GLU  33           HB2      GLU  33 -17.072  -3.235   5.399
  279    HG2  GLU  33           HG3      GLU  33 -17.111  -5.638   5.312
  280    HG3  GLU  33           HG2      GLU  33 -16.453  -5.106   6.857
  281    H1   GLY   1           H1       GLY   1  27.783  -1.345   3.608
  282    H2   GLY   1           H2       GLY   1  27.122  -2.398   4.752
  283    H3   GLY   1           H3       GLY   1  26.802  -0.743   4.847
  284    HA2  GLY   1           HA2      GLY   1  25.582  -0.814   2.782
  285    HA3  GLY   1           HA3      GLY   1  25.937  -2.530   2.647
  286    H    SER   2           H        SER   2  23.349  -1.502   2.630
  287    HA   SER   2           HA       SER   2  22.286  -2.701   5.095
  288    HB2  SER   2           HB3      SER   2  21.105  -0.268   3.728
  289    HB3  SER   2           HB2      SER   2  20.544  -1.018   5.221
  290    HG   SER   2           HG       SER   2  22.409  -0.350   6.244
  291    H    MET   3           H        MET   3  22.780  -3.865   2.562
  292    HA   MET   3           HA       MET   3  20.548  -3.716   0.839
  293    HB2  MET   3           HB3      MET   3  22.902  -5.568   1.016
  294    HB3  MET   3           HB2      MET   3  21.616  -5.837  -0.153
  295    HG2  MET   3           HG3      MET   3  23.473  -4.630  -1.150
  296    HG3  MET   3           HG2      MET   3  22.014  -3.647  -1.128
  297    HE1  MET   3           HE1      MET   3  24.671  -2.273  -1.773
  298    HE2  MET   3           HE2      MET   3  24.703  -0.885  -0.686
  299    HE3  MET   3           HE3      MET   3  23.202  -1.335  -1.494
  300    H    LYS   4           H        LYS   4  21.509  -6.113   3.290
  301    HA   LYS   4           HA       LYS   4  19.302  -7.811   2.914
  302    HB2  LYS   4           HB3      LYS   4  19.716  -8.568   5.236
  303    HB3  LYS   4           HB2      LYS   4  21.180  -8.517   4.267
  304    HG2  LYS   4           HG3      LYS   4  21.832  -6.428   5.318
  305    HG3  LYS   4           HG2      LYS   4  20.337  -6.416   6.252
  306    HD2  LYS   4           HD3      LYS   4  22.420  -8.590   6.407
  307    HD3  LYS   4           HD2      LYS   4  22.327  -7.225   7.519
  308    HE2  LYS   4           HE3      LYS   4  20.075  -7.925   8.184
  309    HE3  LYS   4           HE2      LYS   4  20.170  -9.287   7.069
  310    HZ1  LYS   4           HZ1      LYS   4  21.984  -8.854   9.379
  311    HZ2  LYS   4           HZ2      LYS   4  21.984 -10.192   8.344
  312    HZ3  LYS   4           HZ3      LYS   4  20.664  -9.912   9.367
  313    H    GLN   5           H        GLN   5  19.624  -4.766   4.582
  314    HA   GLN   5           HA       GLN   5  17.306  -5.050   6.197
  315    HB2  GLN   5           HB3      GLN   5  18.907  -2.597   5.468
  316    HB3  GLN   5           HB2      GLN   5  17.629  -2.638   6.676
  317    HG2  GLN   5           HG3      GLN   5  20.241  -4.126   6.754
  318    HG3  GLN   5           HG2      GLN   5  19.752  -2.772   7.773
  319   HE21  GLN   5          HE21      GLN   5  18.223  -3.109   9.396
  320   HE22  GLN   5          HE22      GLN   5  17.854  -4.696   9.982
  321    H    LEU   6           H        LEU   6  17.955  -3.102   3.241
  322    HA   LEU   6           HA       LEU   6  15.266  -2.147   3.287
  323    HB2  LEU   6           HB3      LEU   6  15.716  -0.809   1.469
  324    HB3  LEU   6           HB2      LEU   6  17.260  -0.913   2.266
  325    HG   LEU   6           HG       LEU   6  17.655  -0.956  -0.060
  326   HD11  LEU   6          HD11      LEU   6  18.735  -3.086  -0.450
  327   HD12  LEU   6          HD12      LEU   6  17.907  -3.757   0.956
  328   HD13  LEU   6          HD13      LEU   6  19.068  -2.444   1.160
  329   HD21  LEU   6          HD21      LEU   6  15.439  -1.532  -0.845
  330   HD22  LEU   6          HD22      LEU   6  15.670  -3.198  -0.314
  331   HD23  LEU   6          HD23      LEU   6  16.665  -2.545  -1.612
  332    H    GLU   7           H        GLU   7  16.815  -4.897   1.860
  333    HA   GLU   7           HA       GLU   7  14.907  -5.527  -0.087
  334    HB2  GLU   7           HB3      GLU   7  16.773  -7.226   1.543
  335    HB3  GLU   7           HB2      GLU   7  15.647  -7.945   0.399
  336    HG2  GLU   7           HG3      GLU   7  17.736  -5.882  -0.283
  337    HG3  GLU   7           HG2      GLU   7  17.888  -7.635  -0.544
  338    H    ASP   8           H        ASP   8  15.002  -6.230   3.383
  339    HA   ASP   8           HA       ASP   8  12.552  -7.680   3.392
  340    HB2  ASP   8           HB3      ASP   8  14.192  -6.352   5.521
  341    HB3  ASP   8           HB2      ASP   8  12.573  -6.932   5.897
  342    H    LYS   9           H        LYS   9  13.336  -4.325   4.210
  343    HA   LYS   9           HA       LYS   9  10.738  -3.477   4.848
  344    HB2  LYS   9           HB3      LYS   9  12.623  -1.592   3.453
  345    HB3  LYS   9           HB2      LYS   9  11.451  -1.257   4.719
  346    HG2  LYS   9           HG3      LYS   9  12.860  -2.640   6.281
  347    HG3  LYS   9           HG2      LYS   9  14.098  -2.641   5.028
  348    HD2  LYS   9           HD3      LYS   9  12.900  -0.160   6.253
  349    HD3  LYS   9           HD2      LYS   9  14.422  -0.889   6.759
  350    HE2  LYS   9           HE3      LYS   9  15.320  -0.549   4.500
  351    HE3  LYS   9           HE2      LYS   9  13.800   0.203   4.015
  352    HZ1  LYS   9           HZ1      LYS   9  15.583   1.212   6.163
  353    HZ2  LYS   9           HZ2      LYS   9  14.171   1.956   5.604
  354    HZ3  LYS   9           HZ3      LYS   9  15.517   1.830   4.593
  355    H    VAL  10           H        VAL  10  12.385  -3.278   1.702
  356    HA   VAL  10           HA       VAL  10  10.315  -1.880   0.368
  357    HB   VAL  10           HB       VAL  10  12.705  -2.079  -0.424
  358   HG11  VAL  10          HG11      VAL  10  11.775  -4.771  -1.422
  359   HG12  VAL  10          HG12      VAL  10  13.004  -4.479  -0.194
  360   HG13  VAL  10          HG13      VAL  10  13.288  -3.978  -1.860
  361   HG21  VAL  10          HG21      VAL  10  11.004  -1.106  -1.832
  362   HG22  VAL  10          HG22      VAL  10  10.505  -2.702  -2.390
  363   HG23  VAL  10          HG23      VAL  10  12.100  -2.080  -2.813
  364    H    GLU  11           H        GLU  11  10.990  -5.197   1.034
  365    HA   GLU  11           HA       GLU  11   8.950  -6.310  -0.660
  366    HB2  GLU  11           HB3      GLU  11  11.001  -7.529   0.096
  367    HB3  GLU  11           HB2      GLU  11  10.312  -7.594   1.710
  368    HG2  GLU  11           HG3      GLU  11   9.931  -9.687   0.646
  369    HG3  GLU  11           HG2      GLU  11   8.386  -8.848   0.777
  370    H    GLU  12           H        GLU  12   9.201  -5.788   2.877
  371    HA   GLU  12           HA       GLU  12   6.776  -6.924   3.624
  372    HB2  GLU  12           HB3      GLU  12   8.536  -6.292   5.207
  373    HB3  GLU  12           HB2      GLU  12   8.238  -4.591   4.875
  374    HG2  GLU  12           HG3      GLU  12   5.932  -4.889   5.748
  375    HG3  GLU  12           HG2      GLU  12   6.371  -6.534   6.209
  376    H    LEU  13           H        LEU  13   7.447  -3.468   3.198
  377    HA   LEU  13           HA       LEU  13   4.934  -2.417   3.334
  378    HB2  LEU  13           HB3      LEU  13   7.163  -1.626   1.464
  379    HB3  LEU  13           HB2      LEU  13   5.733  -0.658   1.755
  380    HG   LEU  13           HG       LEU  13   7.791  -1.396   3.836
  381   HD11  LEU  13          HD11      LEU  13   8.384   0.976   3.751
  382   HD12  LEU  13          HD12      LEU  13   7.247   1.209   2.424
  383   HD13  LEU  13          HD13      LEU  13   8.660   0.180   2.203
  384   HD21  LEU  13          HD21      LEU  13   5.357   0.378   3.977
  385   HD22  LEU  13          HD22      LEU  13   6.592   0.246   5.228
  386   HD23  LEU  13          HD23      LEU  13   5.596  -1.152   4.824
  387    H    LEU  14           H        LEU  14   6.492  -3.644   0.373
  388    HA   LEU  14           HA       LEU  14   4.364  -3.167  -1.357
  389    HB2  LEU  14           HB3      LEU  14   6.608  -3.663  -2.147
  390    HB3  LEU  14           HB2      LEU  14   6.512  -5.283  -1.491
  391    HG   LEU  14           HG       LEU  14   4.725  -5.821  -3.105
  392   HD11  LEU  14          HD11      LEU  14   5.267  -3.047  -4.144
  393   HD12  LEU  14          HD12      LEU  14   3.759  -3.641  -3.445
  394   HD13  LEU  14          HD13      LEU  14   4.328  -4.278  -4.987
  395   HD21  LEU  14          HD21      LEU  14   7.072  -6.291  -3.630
  396   HD22  LEU  14          HD22      LEU  14   7.216  -4.701  -4.378
  397   HD23  LEU  14          HD23      LEU  14   6.140  -5.909  -5.077
  398    H    SER  15           H        SER  15   5.082  -5.989   0.675
  399    HA   SER  15           HA       SER  15   2.959  -7.610  -0.205
  400    HB2  SER  15           HB3      SER  15   4.837  -8.350   1.293
  401    HB3  SER  15           HB2      SER  15   4.077  -7.461   2.610
  402    HG   SER  15           HG       SER  15   3.043  -9.264   2.919
  403    H    LYS  16           H        LYS  16   3.137  -5.031   2.181
  404    HA   LYS  16           HA       LYS  16   0.459  -5.306   3.102
  405    HB2  LYS  16           HB3      LYS  16   2.228  -4.202   4.427
  406    HB3  LYS  16           HB2      LYS  16   2.314  -2.916   3.233
  407    HG2  LYS  16           HG3      LYS  16   0.015  -2.270   3.760
  408    HG3  LYS  16           HG2      LYS  16  -0.071  -3.568   4.955
  409    HD2  LYS  16           HD3      LYS  16   1.701  -2.542   6.250
  410    HD3  LYS  16           HD2      LYS  16   1.921  -1.298   5.020
  411    HE2  LYS  16           HE3      LYS  16  -0.389  -0.519   5.457
  412    HE3  LYS  16           HE2      LYS  16  -0.521  -1.704   6.755
  413    HZ1  LYS  16           HZ1      LYS  16   1.348  -0.619   7.861
  414    HZ2  LYS  16           HZ2      LYS  16   0.058   0.450   7.633
  415    HZ3  LYS  16           HZ3      LYS  16   1.416   0.541   6.633
  416    H    ASN  17           H        ASN  17   2.037  -3.282   0.621
  417    HA   ASN  17           HA       ASN  17  -0.154  -1.788  -0.206
  418    HB2  ASN  17           HB3      ASN  17   2.016  -3.027  -1.922
  419    HB3  ASN  17           HB2      ASN  17   0.841  -1.874  -2.529
  420   HD21  ASN  17          HD21      ASN  17   1.040   0.340  -1.892
  421   HD22  ASN  17          HD22      ASN  17   2.494   0.929  -1.171
  422    H    TYR  18           H        TYR  18   0.858  -4.995  -1.349
  423    HA   TYR  18           HA       TYR  18  -1.156  -5.579  -3.102
  424    HB2  TYR  18           HB3      TYR  18   0.946  -6.922  -2.232
  425    HB3  TYR  18           HB2      TYR  18  -0.255  -7.696  -1.201
  426    HD1  TYR  18           HD1      TYR  18   0.602  -6.959  -4.711
  427    HD2  TYR  18           HD2      TYR  18  -1.667  -9.378  -2.061
  428    HE1  TYR  18           HE1      TYR  18  -0.010  -8.411  -6.576
  429    HE2  TYR  18           HE2      TYR  18  -2.290 -10.848  -3.925
  430    HH   TYR  18           HH       TYR  18  -2.465 -10.777  -6.361
  431    H    HIS  19           H        HIS  19  -1.146  -6.218   0.398
  432    HA   HIS  19           HA       HIS  19  -3.700  -7.363   0.531
  433    HB2  HIS  19           HB3      HIS  19  -1.920  -6.067   2.561
  434    HB3  HIS  19           HB2      HIS  19  -3.561  -6.531   2.999
  435    HD1  HIS  19           HD1      HIS  19  -4.037  -9.005   3.338
  436    HD2  HIS  19           HD2      HIS  19  -0.177  -8.241   2.002
  437    HE1  HIS  19           HE1      HIS  19  -2.795 -11.171   3.588
  438    HE2  HIS  19           HE2      HIS  19  -0.427 -10.648   2.914
  439    H    LEU  20           H        LEU  20  -2.692  -4.008   1.182
  440    HA   LEU  20           HA       LEU  20  -5.268  -3.053   1.807
  441    HB2  LEU  20           HB3      LEU  20  -2.924  -1.542   0.654
  442    HB3  LEU  20           HB2      LEU  20  -4.343  -0.815   1.377
  443    HG   LEU  20           HG       LEU  20  -2.396  -2.582   2.858
  444   HD11  LEU  20          HD11      LEU  20  -1.692  -0.486   3.946
  445   HD12  LEU  20          HD12      LEU  20  -2.679   0.412   2.793
  446   HD13  LEU  20          HD13      LEU  20  -1.304  -0.537   2.227
  447   HD21  LEU  20          HD21      LEU  20  -4.624  -2.659   3.803
  448   HD22  LEU  20          HD22      LEU  20  -4.705  -0.897   3.807
  449   HD23  LEU  20          HD23      LEU  20  -3.551  -1.729   4.850
  450    H    GLU  21           H        GLU  21  -3.475  -3.175  -1.221
  451    HA   GLU  21           HA       GLU  21  -5.259  -1.694  -2.804
  452    HB2  GLU  21           HB3      GLU  21  -2.809  -2.658  -3.204
  453    HB3  GLU  21           HB2      GLU  21  -3.690  -3.969  -3.962
  454    HG2  GLU  21           HG3      GLU  21  -3.868  -1.067  -4.767
  455    HG3  GLU  21           HG2      GLU  21  -2.861  -2.282  -5.543
  456    H    ASN  22           H        ASN  22  -5.079  -5.146  -2.054
  457    HA   ASN  22           HA       ASN  22  -7.235  -5.930  -3.717
  458    HB2  ASN  22           HB3      ASN  22  -6.032  -7.219  -1.266
  459    HB3  ASN  22           HB2      ASN  22  -7.325  -7.957  -2.202
  460   HD21  ASN  22          HD21      ASN  22  -6.239  -6.907  -4.736
  461   HD22  ASN  22          HD22      ASN  22  -4.871  -7.903  -5.093
  462    H    GLU  23           H        GLU  23  -7.045  -4.940  -0.323
  463    HA   GLU  23           HA       GLU  23  -9.728  -5.450   0.343
  464    HB2  GLU  23           HB3      GLU  23  -7.759  -3.464   1.472
  465    HB3  GLU  23           HB2      GLU  23  -9.357  -3.733   2.155
  466    HG2  GLU  23           HG3      GLU  23  -7.158  -5.770   1.905
  467    HG3  GLU  23           HG2      GLU  23  -7.678  -4.963   3.382
  468    H    VAL  24           H        VAL  24  -8.164  -2.641  -1.112
  469    HA   VAL  24           HA       VAL  24 -10.311  -0.866  -1.029
  470    HB   VAL  24           HB       VAL  24  -8.241  -1.130  -3.221
  471   HG11  VAL  24          HG11      VAL  24 -10.138   0.172  -3.978
  472   HG12  VAL  24          HG12      VAL  24  -8.765   1.240  -3.679
  473   HG13  VAL  24          HG13      VAL  24 -10.084   1.152  -2.512
  474   HG21  VAL  24          HG21      VAL  24  -7.225  -0.782  -1.039
  475   HG22  VAL  24          HG22      VAL  24  -8.284   0.598  -0.748
  476   HG23  VAL  24          HG23      VAL  24  -7.073   0.670  -2.029
  477    H    ALA  25           H        ALA  25  -9.337  -2.980  -3.746
  478    HA   ALA  25           HA       ALA  25 -11.600  -2.624  -5.336
  479    HB1  ALA  25           HB1      ALA  25 -10.952  -4.668  -6.470
  480    HB2  ALA  25           HB2      ALA  25  -9.905  -5.106  -5.122
  481    HB3  ALA  25           HB3      ALA  25  -9.531  -3.691  -6.104
  482    H    ARG  26           H        ARG  26 -10.983  -5.027  -2.819
  483    HA   ARG  26           HA       ARG  26 -13.223  -6.616  -2.988
  484    HB2  ARG  26           HB3      ARG  26 -11.325  -7.033  -1.505
  485    HB3  ARG  26           HB2      ARG  26 -11.760  -5.641  -0.531
  486    HG2  ARG  26           HG3      ARG  26 -13.867  -6.767   0.079
  487    HG3  ARG  26           HG2      ARG  26 -13.334  -8.186  -0.831
  488    HD2  ARG  26           HD2      ARG  26 -11.335  -8.319   0.597
  489    HD3  ARG  26           HD1      ARG  26 -11.921  -6.942   1.527
  490    HE   ARG  26           HE       ARG  26 -13.829  -9.063   1.427
  491   HH11  ARG  26          HH11      ARG  26 -10.934  -7.930   3.043
  492   HH12  ARG  26          HH12      ARG  26 -11.220  -8.876   4.472
  493   HH21  ARG  26          HH21      ARG  26 -14.211 -10.295   3.310
  494   HH22  ARG  26          HH22      ARG  26 -13.084 -10.210   4.628
  495    H    LEU  27           H        LEU  27 -12.843  -3.701  -0.979
  496    HA   LEU  27           HA       LEU  27 -15.511  -3.667  -0.066
  497    HB2  LEU  27           HB3      LEU  27 -13.388  -1.537  -0.187
  498    HB3  LEU  27           HB2      LEU  27 -14.952  -1.278   0.570
  499    HG   LEU  27           HG       LEU  27 -13.081  -3.481   1.391
  500   HD11  LEU  27          HD11      LEU  27 -13.367  -0.733   2.569
  501   HD12  LEU  27          HD12      LEU  27 -11.961  -1.362   1.710
  502   HD13  LEU  27          HD13      LEU  27 -12.430  -2.060   3.260
  503   HD21  LEU  27          HD21      LEU  27 -15.452  -2.212   2.748
  504   HD22  LEU  27          HD22      LEU  27 -14.424  -3.469   3.440
  505   HD23  LEU  27          HD23      LEU  27 -15.406  -3.816   2.017
  506    H    LYS  28           H        LYS  28 -14.008  -2.266  -2.918
  507    HA   LYS  28           HA       LYS  28 -16.121  -0.555  -3.648
  508    HB2  LYS  28           HB3      LYS  28 -13.970  -1.914  -5.261
  509    HB3  LYS  28           HB2      LYS  28 -15.165  -0.853  -5.995
  510    HG2  LYS  28           HG3      LYS  28 -14.423   0.959  -4.488
  511    HG3  LYS  28           HG2      LYS  28 -13.162  -0.119  -3.879
  512    HD2  LYS  28           HD3      LYS  28 -12.033  -0.149  -5.932
  513    HD3  LYS  28           HD2      LYS  28 -13.449   0.465  -6.813
  514    HE2  LYS  28           HE3      LYS  28 -11.688   1.994  -4.887
  515    HE3  LYS  28           HE2      LYS  28 -11.812   2.221  -6.630
  516    HZ1  LYS  28           HZ1      LYS  28 -14.270   2.693  -6.151
  517    HZ2  LYS  28           HZ2      LYS  28 -13.135   3.890  -5.759
  518    HZ3  LYS  28           HZ3      LYS  28 -13.778   2.912  -4.544
  519    H    LYS  29           H        LYS  29 -15.386  -3.917  -4.483
  520    HA   LYS  29           HA       LYS  29 -17.536  -4.465  -6.141
  521    HB2  LYS  29           HB3      LYS  29 -15.720  -6.035  -5.849
  522    HB3  LYS  29           HB2      LYS  29 -16.092  -6.215  -4.143
  523    HG2  LYS  29           HG3      LYS  29 -18.277  -7.227  -4.801
  524    HG3  LYS  29           HG2      LYS  29 -17.724  -7.196  -6.477
  525    HD2  LYS  29           HD3      LYS  29 -15.799  -8.584  -5.860
  526    HD3  LYS  29           HD2      LYS  29 -16.374  -8.630  -4.192
  527    HE2  LYS  29           HE3      LYS  29 -18.444  -9.714  -4.961
  528    HE3  LYS  29           HE2      LYS  29 -17.822  -9.707  -6.609
  529    HZ1  LYS  29           HZ1      LYS  29 -15.984 -11.104  -5.866
  530    HZ2  LYS  29           HZ2      LYS  29 -17.472 -11.842  -5.562
  531    HZ3  LYS  29           HZ3      LYS  29 -16.613 -11.126  -4.297
  532    H    LEU  30           H        LEU  30 -17.392  -4.224  -2.651
  533    HA   LEU  30           HA       LEU  30 -19.997  -5.376  -2.244
  534    HB2  LEU  30           HB3      LEU  30 -18.250  -3.812  -0.344
  535    HB3  LEU  30           HB2      LEU  30 -19.680  -4.724   0.098
  536    HG   LEU  30           HG       LEU  30 -17.132  -5.899  -1.018
  537   HD11  LEU  30          HD11      LEU  30 -16.845  -6.827   1.220
  538   HD12  LEU  30          HD12      LEU  30 -18.286  -5.970   1.766
  539   HD13  LEU  30          HD13      LEU  30 -16.863  -5.065   1.254
  540   HD21  LEU  30          HD21      LEU  30 -19.654  -7.220  -0.022
  541   HD22  LEU  30          HD22      LEU  30 -18.160  -8.057  -0.437
  542   HD23  LEU  30          HD23      LEU  30 -19.064  -7.201  -1.684
  543    H    VAL  31           H        VAL  31 -18.669  -2.090  -1.695
  544    HA   VAL  31           HA       VAL  31 -21.199  -0.958  -1.183
  545    HB   VAL  31           HB       VAL  31 -19.083   0.027  -0.392
  546   HG11  VAL  31          HG11      VAL  31 -17.696  -0.275  -2.344
  547   HG12  VAL  31          HG12      VAL  31 -17.750   1.432  -1.902
  548   HG13  VAL  31          HG13      VAL  31 -18.702   0.843  -3.265
  549   HG21  VAL  31          HG21      VAL  31 -19.685   2.372  -0.783
  550   HG22  VAL  31          HG22      VAL  31 -21.086   1.374  -0.397
  551   HG23  VAL  31          HG23      VAL  31 -20.784   1.861  -2.064
  552    H    GLY  32           H        GLY  32 -19.430  -1.420  -4.184
  553    HA2  GLY  32           HA3      GLY  32 -20.341  -1.343  -6.328
  554    HA3  GLY  32           HA2      GLY  32 -21.772  -0.558  -5.672
  555    H    GLU  33           H        GLU  33 -18.316   0.274  -5.539
  556    HA   GLU  33           HA       GLU  33 -18.956   2.809  -6.883
  557    HB2  GLU  33           HB3      GLU  33 -18.839   3.112  -4.392
  558    HB3  GLU  33           HB2      GLU  33 -17.173   2.554  -4.448
  559    HG2  GLU  33           HG3      GLU  33 -17.234   4.955  -4.323
  560    HG3  GLU  33           HG2      GLU  33 -16.594   4.453  -5.886
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  19.710  -3.067  -8.371
    2    H2   GLY   1           H2       GLY   1  20.056  -3.081  -6.717
    3    H3   GLY   1           H3       GLY   1  21.314  -3.123  -7.841
    4    HA2  GLY   1           HA2      GLY   1  20.779  -0.908  -8.600
    5    HA3  GLY   1           HA3      GLY   1  19.434  -0.863  -7.468
    6    H    SER   2           H        SER   2  20.720   1.143  -6.854
    7    HA   SER   2           HA       SER   2  22.996   0.568  -5.138
    8    HB2  SER   2           HB3      SER   2  23.115   3.033  -4.905
    9    HB3  SER   2           HB2      SER   2  23.114   2.530  -6.594
   10    HG   SER   2           HG       SER   2  21.671   4.274  -6.214
   11    H    MET   3           H        MET   3  22.920   1.968  -2.981
   12    HA   MET   3           HA       MET   3  20.891   0.846  -1.357
   13    HB2  MET   3           HB3      MET   3  23.106   1.434  -0.473
   14    HB3  MET   3           HB2      MET   3  22.777   3.136  -0.761
   15    HG2  MET   3           HG3      MET   3  20.953   3.066   0.855
   16    HG3  MET   3           HG2      MET   3  21.265   1.356   1.137
   17    HE1  MET   3           HE1      MET   3  23.414   0.412   2.300
   18    HE2  MET   3           HE2      MET   3  24.758   1.403   2.866
   19    HE3  MET   3           HE3      MET   3  24.459   1.228   1.137
   20    H    LYS   4           H        LYS   4  21.454   4.160  -2.517
   21    HA   LYS   4           HA       LYS   4  19.121   5.274  -1.399
   22    HB2  LYS   4           HB3      LYS   4  20.964   6.105  -3.605
   23    HB3  LYS   4           HB2      LYS   4  19.454   6.972  -3.369
   24    HG2  LYS   4           HG3      LYS   4  21.202   8.135  -2.228
   25    HG3  LYS   4           HG2      LYS   4  20.125   7.419  -1.030
   26    HD2  LYS   4           HD3      LYS   4  21.712   5.556  -0.753
   27    HD3  LYS   4           HD2      LYS   4  22.791   6.327  -1.914
   28    HE2  LYS   4           HE3      LYS   4  21.895   7.533   0.698
   29    HE3  LYS   4           HE2      LYS   4  23.450   6.754   0.418
   30    HZ1  LYS   4           HZ1      LYS   4  22.475   9.158  -1.025
   31    HZ2  LYS   4           HZ2      LYS   4  23.998   8.442  -1.187
   32    HZ3  LYS   4           HZ3      LYS   4  23.561   9.182   0.272
   33    H    GLN   5           H        GLN   5  19.649   3.479  -4.352
   34    HA   GLN   5           HA       GLN   5  17.267   4.084  -5.691
   35    HB2  GLN   5           HB3      GLN   5  19.185   2.844  -6.669
   36    HB3  GLN   5           HB2      GLN   5  18.781   1.464  -5.663
   37    HG2  GLN   5           HG3      GLN   5  16.756   2.582  -7.551
   38    HG3  GLN   5           HG2      GLN   5  18.040   1.536  -8.146
   39   HE21  GLN   5          HE21      GLN   5  18.106  -0.068  -5.696
   40   HE22  GLN   5          HE22      GLN   5  16.696  -1.060  -5.744
   41    H    LEU   6           H        LEU   6  18.009   1.617  -3.266
   42    HA   LEU   6           HA       LEU   6  15.388   0.516  -3.184
   43    HB2  LEU   6           HB3      LEU   6  17.599   0.462  -1.123
   44    HB3  LEU   6           HB2      LEU   6  16.098  -0.425  -0.977
   45    HG   LEU   6           HG       LEU   6  18.117  -0.839  -3.186
   46   HD11  LEU   6          HD11      LEU   6  18.999  -1.531  -1.024
   47   HD12  LEU   6          HD12      LEU   6  18.633  -2.929  -2.034
   48   HD13  LEU   6          HD13      LEU   6  17.544  -2.479  -0.723
   49   HD21  LEU   6          HD21      LEU   6  15.616  -2.342  -2.421
   50   HD22  LEU   6          HD22      LEU   6  16.790  -2.869  -3.625
   51   HD23  LEU   6          HD23      LEU   6  15.866  -1.392  -3.886
   52    H    GLU   7           H        GLU   7  17.005   3.110  -1.487
   53    HA   GLU   7           HA       GLU   7  15.137   3.598   0.516
   54    HB2  GLU   7           HB3      GLU   7  17.416   4.556   0.407
   55    HB3  GLU   7           HB2      GLU   7  16.916   5.565  -0.940
   56    HG2  GLU   7           HG3      GLU   7  15.313   6.705   0.512
   57    HG3  GLU   7           HG2      GLU   7  15.852   5.690   1.869
   58    H    ASP   8           H        ASP   8  15.296   4.739  -2.828
   59    HA   ASP   8           HA       ASP   8  13.100   6.493  -2.750
   60    HB2  ASP   8           HB3      ASP   8  14.389   4.930  -4.969
   61    HB3  ASP   8           HB2      ASP   8  12.934   5.876  -5.263
   62    H    LYS   9           H        LYS   9  13.294   3.060  -3.552
   63    HA   LYS   9           HA       LYS   9  10.588   2.560  -4.086
   64    HB2  LYS   9           HB3      LYS   9  12.102   0.562  -2.449
   65    HB3  LYS   9           HB2      LYS   9  10.990   0.296  -3.780
   66    HG2  LYS   9           HG3      LYS   9  13.776   1.398  -4.093
   67    HG3  LYS   9           HG2      LYS   9  13.319  -0.286  -4.339
   68    HD2  LYS   9           HD3      LYS   9  12.264   2.076  -5.905
   69    HD3  LYS   9           HD2      LYS   9  13.490   0.939  -6.456
   70    HE2  LYS   9           HE3      LYS   9  10.664   0.204  -5.719
   71    HE3  LYS   9           HE2      LYS   9  11.243   0.456  -7.362
   72    HZ1  LYS   9           HZ1      LYS   9  11.185  -1.889  -6.761
   73    HZ2  LYS   9           HZ2      LYS   9  12.260  -1.614  -5.488
   74    HZ3  LYS   9           HZ3      LYS   9  12.765  -1.386  -7.084
   75    H    VAL  10           H        VAL  10  12.310   2.461  -1.013
   76    HA   VAL  10           HA       VAL  10  10.232   1.597   0.659
   77    HB   VAL  10           HB       VAL  10  12.522   3.445   1.369
   78   HG11  VAL  10          HG11      VAL  10  10.746   3.442   3.048
   79   HG12  VAL  10          HG12      VAL  10  12.193   2.634   3.650
   80   HG13  VAL  10          HG13      VAL  10  10.810   1.681   3.118
   81   HG21  VAL  10          HG21      VAL  10  13.609   1.353   2.167
   82   HG22  VAL  10          HG22      VAL  10  13.396   1.425   0.418
   83   HG23  VAL  10          HG23      VAL  10  12.312   0.439   1.397
   84    H    GLU  11           H        GLU  11  11.240   4.693  -0.523
   85    HA   GLU  11           HA       GLU  11   9.506   6.304   1.066
   86    HB2  GLU  11           HB3      GLU  11  11.652   6.819  -0.498
   87    HB3  GLU  11           HB2      GLU  11  10.363   7.323  -1.578
   88    HG2  GLU  11           HG3      GLU  11  10.848   8.352   1.207
   89    HG3  GLU  11           HG2      GLU  11  11.222   9.190  -0.295
   90    H    GLU  12           H        GLU  12   9.333   5.269  -2.370
   91    HA   GLU  12           HA       GLU  12   6.894   6.567  -2.930
   92    HB2  GLU  12           HB3      GLU  12   8.294   4.231  -4.204
   93    HB3  GLU  12           HB2      GLU  12   6.763   4.840  -4.821
   94    HG2  GLU  12           HG3      GLU  12   9.278   6.465  -4.521
   95    HG3  GLU  12           HG2      GLU  12   8.707   5.738  -6.023
   96    H    LEU  13           H        LEU  13   7.489   3.173  -2.203
   97    HA   LEU  13           HA       LEU  13   4.934   2.191  -2.164
   98    HB2  LEU  13           HB3      LEU  13   7.252   1.441  -0.397
   99    HB3  LEU  13           HB2      LEU  13   5.788   0.490  -0.565
  100    HG   LEU  13           HG       LEU  13   7.642   1.143  -2.854
  101   HD11  LEU  13          HD11      LEU  13   8.411  -1.169  -2.656
  102   HD12  LEU  13          HD12      LEU  13   7.442  -1.364  -1.195
  103   HD13  LEU  13          HD13      LEU  13   8.793  -0.230  -1.212
  104   HD21  LEU  13          HD21      LEU  13   5.349  -0.798  -2.588
  105   HD22  LEU  13          HD22      LEU  13   6.417  -0.664  -3.983
  106   HD23  LEU  13          HD23      LEU  13   5.363   0.681  -3.548
  107    H    LEU  14           H        LEU  14   6.539   3.965   0.445
  108    HA   LEU  14           HA       LEU  14   4.587   3.597   2.410
  109    HB2  LEU  14           HB3      LEU  14   6.778   5.522   2.041
  110    HB3  LEU  14           HB2      LEU  14   5.396   6.189   2.876
  111    HG   LEU  14           HG       LEU  14   7.159   5.289   4.392
  112   HD11  LEU  14          HD11      LEU  14   4.512   3.854   4.568
  113   HD12  LEU  14          HD12      LEU  14   4.821   5.501   5.114
  114   HD13  LEU  14          HD13      LEU  14   5.642   4.148   5.888
  115   HD21  LEU  14          HD21      LEU  14   7.865   3.395   3.036
  116   HD22  LEU  14          HD22      LEU  14   6.298   2.625   3.281
  117   HD23  LEU  14          HD23      LEU  14   7.378   2.882   4.651
  118    H    SER  15           H        SER  15   4.853   6.105  -0.072
  119    HA   SER  15           HA       SER  15   2.506   7.498   0.583
  120    HB2  SER  15           HB3      SER  15   4.286   8.322  -0.962
  121    HB3  SER  15           HB2      SER  15   3.742   7.151  -2.160
  122    HG   SER  15           HG       SER  15   2.345   9.386  -1.124
  123    H    LYS  16           H        LYS  16   3.111   4.705  -1.473
  124    HA   LYS  16           HA       LYS  16   0.483   4.416  -2.477
  125    HB2  LYS  16           HB3      LYS  16   2.523   3.320  -3.426
  126    HB3  LYS  16           HB2      LYS  16   2.557   2.258  -2.029
  127    HG2  LYS  16           HG3      LYS  16   1.556   1.019  -3.746
  128    HG3  LYS  16           HG2      LYS  16   0.233   1.524  -2.695
  129    HD2  LYS  16           HD3      LYS  16  -0.243   3.389  -4.241
  130    HD3  LYS  16           HD2      LYS  16   1.037   2.808  -5.305
  131    HE2  LYS  16           HE3      LYS  16  -1.500   1.367  -4.561
  132    HE3  LYS  16           HE2      LYS  16  -1.088   2.039  -6.135
  133    HZ1  LYS  16           HZ1      LYS  16   0.292  -0.211  -4.777
  134    HZ2  LYS  16           HZ2      LYS  16   0.727   0.440  -6.279
  135    HZ3  LYS  16           HZ3      LYS  16  -0.765  -0.340  -6.095
  136    H    ASN  17           H        ASN  17   2.202   2.916   0.232
  137    HA   ASN  17           HA       ASN  17   0.277   1.232   1.254
  138    HB2  ASN  17           HB3      ASN  17   2.572   1.355   2.107
  139    HB3  ASN  17           HB2      ASN  17   2.251   2.962   2.751
  140   HD21  ASN  17          HD21      ASN  17   2.979   1.977   4.863
  141   HD22  ASN  17          HD22      ASN  17   1.822   1.099   5.779
  142    H    TYR  18           H        TYR  18   0.779   4.647   2.120
  143    HA   TYR  18           HA       TYR  18  -1.407   4.713   3.939
  144    HB2  TYR  18           HB3      TYR  18   0.145   6.934   2.606
  145    HB3  TYR  18           HB2      TYR  18  -1.152   7.232   3.756
  146    HD1  TYR  18           HD1      TYR  18   2.016   7.780   3.758
  147    HD2  TYR  18           HD2      TYR  18  -0.581   5.022   5.718
  148    HE1  TYR  18           HE1      TYR  18   3.624   7.572   5.602
  149    HE2  TYR  18           HE2      TYR  18   1.026   4.816   7.560
  150    HH   TYR  18           HH       TYR  18   3.449   5.126   7.929
  151    H    HIS  19           H        HIS  19  -1.103   5.345   0.520
  152    HA   HIS  19           HA       HIS  19  -3.466   6.805   0.127
  153    HB2  HIS  19           HB3      HIS  19  -1.597   6.478  -1.545
  154    HB3  HIS  19           HB2      HIS  19  -2.237   4.868  -1.845
  155    HD1  HIS  19           HD1      HIS  19  -2.536   8.313  -2.926
  156    HD2  HIS  19           HD2      HIS  19  -4.989   4.957  -2.907
  157    HE1  HIS  19           HE1      HIS  19  -4.366   8.801  -4.577
  158    HE2  HIS  19           HE2      HIS  19  -5.923   6.826  -4.427
  159    H    LEU  20           H        LEU  20  -2.846   3.304  -0.051
  160    HA   LEU  20           HA       LEU  20  -5.565   2.747  -0.756
  161    HB2  LEU  20           HB3      LEU  20  -3.274   0.952  -0.003
  162    HB3  LEU  20           HB2      LEU  20  -4.889   0.353  -0.269
  163    HG   LEU  20           HG       LEU  20  -3.468   0.034  -2.232
  164   HD11  LEU  20          HD11      LEU  20  -5.878   0.271  -2.484
  165   HD12  LEU  20          HD12      LEU  20  -5.012   0.911  -3.879
  166   HD13  LEU  20          HD13      LEU  20  -5.690   2.013  -2.681
  167   HD21  LEU  20          HD21      LEU  20  -1.979   1.875  -2.157
  168   HD22  LEU  20          HD22      LEU  20  -3.308   3.033  -2.204
  169   HD23  LEU  20          HD23      LEU  20  -2.947   2.051  -3.621
  170    H    GLU  21           H        GLU  21  -3.699   2.683   2.252
  171    HA   GLU  21           HA       GLU  21  -5.563   1.335   3.838
  172    HB2  GLU  21           HB3      GLU  21  -3.668   3.559   4.621
  173    HB3  GLU  21           HB2      GLU  21  -4.590   2.603   5.770
  174    HG2  GLU  21           HG3      GLU  21  -3.436   0.568   4.873
  175    HG3  GLU  21           HG2      GLU  21  -2.416   1.649   3.925
  176    H    ASN  22           H        ASN  22  -5.303   4.802   3.086
  177    HA   ASN  22           HA       ASN  22  -7.530   5.636   4.591
  178    HB2  ASN  22           HB3      ASN  22  -6.092   6.801   2.229
  179    HB3  ASN  22           HB2      ASN  22  -7.583   7.538   2.806
  180   HD21  ASN  22          HD21      ASN  22  -7.626   8.476   4.872
  181   HD22  ASN  22          HD22      ASN  22  -6.165   8.926   5.684
  182    H    GLU  23           H        GLU  23  -7.271   4.680   1.172
  183    HA   GLU  23           HA       GLU  23  -9.934   5.054   0.445
  184    HB2  GLU  23           HB3      GLU  23  -7.726   3.322  -0.554
  185    HB3  GLU  23           HB2      GLU  23  -9.357   2.994  -1.126
  186    HG2  GLU  23           HG3      GLU  23  -8.022   5.683  -1.307
  187    HG3  GLU  23           HG2      GLU  23  -8.016   4.483  -2.599
  188    H    VAL  24           H        VAL  24  -8.374   2.146   1.767
  189    HA   VAL  24           HA       VAL  24 -10.567   0.448   1.774
  190    HB   VAL  24           HB       VAL  24  -8.263   0.615   3.726
  191   HG11  VAL  24          HG11      VAL  24 -10.301  -1.589   3.429
  192   HG12  VAL  24          HG12      VAL  24 -10.154  -0.500   4.807
  193   HG13  VAL  24          HG13      VAL  24  -8.860  -1.643   4.443
  194   HG21  VAL  24          HG21      VAL  24  -8.839  -1.129   1.341
  195   HG22  VAL  24          HG22      VAL  24  -7.522  -1.408   2.474
  196   HG23  VAL  24          HG23      VAL  24  -7.553   0.067   1.507
  197    H    ALA  25           H        ALA  25  -9.440   2.607   4.382
  198    HA   ALA  25           HA       ALA  25 -11.407   2.052   6.265
  199    HB1  ALA  25           HB1      ALA  25  -9.983   4.672   5.840
  200    HB2  ALA  25           HB2      ALA  25  -9.355   3.294   6.743
  201    HB3  ALA  25           HB3      ALA  25 -10.786   4.147   7.318
  202    H    ARG  26           H        ARG  26 -11.472   4.402   3.627
  203    HA   ARG  26           HA       ARG  26 -13.873   5.701   4.331
  204    HB2  ARG  26           HB3      ARG  26 -12.696   5.267   1.574
  205    HB3  ARG  26           HB2      ARG  26 -13.928   6.451   1.991
  206    HG2  ARG  26           HG3      ARG  26 -12.385   7.681   3.333
  207    HG3  ARG  26           HG2      ARG  26 -11.167   6.414   3.170
  208    HD2  ARG  26           HD2      ARG  26 -11.066   6.843   0.754
  209    HD3  ARG  26           HD1      ARG  26 -12.257   8.131   0.941
  210    HE   ARG  26           HE       ARG  26 -10.517   9.142   2.502
  211   HH11  ARG  26          HH11      ARG  26  -9.697   7.196  -0.303
  212   HH12  ARG  26          HH12      ARG  26  -8.152   7.966  -0.524
  213   HH21  ARG  26          HH21      ARG  26  -8.489  10.145   2.193
  214   HH22  ARG  26          HH22      ARG  26  -7.467   9.630   0.889
  215    H    LEU  27           H        LEU  27 -13.187   3.084   2.057
  216    HA   LEU  27           HA       LEU  27 -15.874   2.632   1.325
  217    HB2  LEU  27           HB3      LEU  27 -13.559   0.703   1.219
  218    HB3  LEU  27           HB2      LEU  27 -15.052   0.582   0.307
  219    HG   LEU  27           HG       LEU  27 -13.053   2.812   0.011
  220   HD11  LEU  27          HD11      LEU  27 -12.136   0.662  -0.704
  221   HD12  LEU  27          HD12      LEU  27 -12.412   1.748  -2.063
  222   HD13  LEU  27          HD13      LEU  27 -13.533   0.424  -1.755
  223   HD21  LEU  27          HD21      LEU  27 -15.480   2.056  -1.607
  224   HD22  LEU  27          HD22      LEU  27 -14.322   3.317  -2.028
  225   HD23  LEU  27          HD23      LEU  27 -15.311   3.478  -0.577
  226    H    LYS  28           H        LYS  28 -14.047   1.583   4.093
  227    HA   LYS  28           HA       LYS  28 -15.574  -0.712   4.739
  228    HB2  LYS  28           HB3      LYS  28 -13.855   1.105   6.436
  229    HB3  LYS  28           HB2      LYS  28 -14.666  -0.311   7.081
  230    HG2  LYS  28           HG3      LYS  28 -12.679  -0.394   4.828
  231    HG3  LYS  28           HG2      LYS  28 -12.262  -0.636   6.524
  232    HD2  LYS  28           HD3      LYS  28 -13.913  -2.528   6.572
  233    HD3  LYS  28           HD2      LYS  28 -14.072  -2.341   4.809
  234    HE2  LYS  28           HE3      LYS  28 -11.636  -2.723   4.592
  235    HE3  LYS  28           HE2      LYS  28 -11.539  -2.981   6.330
  236    HZ1  LYS  28           HZ1      LYS  28 -12.810  -4.936   6.159
  237    HZ2  LYS  28           HZ2      LYS  28 -11.661  -5.032   4.915
  238    HZ3  LYS  28           HZ3      LYS  28 -13.264  -4.615   4.564
  239    H    LYS  29           H        LYS  29 -15.641   2.647   5.980
  240    HA   LYS  29           HA       LYS  29 -17.894   2.246   7.629
  241    HB2  LYS  29           HB3      LYS  29 -18.040   4.667   7.772
  242    HB3  LYS  29           HB2      LYS  29 -16.374   4.136   7.929
  243    HG2  LYS  29           HG3      LYS  29 -15.878   4.822   5.693
  244    HG3  LYS  29           HG2      LYS  29 -17.578   5.176   5.380
  245    HD2  LYS  29           HD3      LYS  29 -17.499   6.894   7.157
  246    HD3  LYS  29           HD2      LYS  29 -15.768   6.591   7.331
  247    HE2  LYS  29           HE3      LYS  29 -15.372   7.280   5.054
  248    HE3  LYS  29           HE2      LYS  29 -17.103   7.454   4.769
  249    HZ1  LYS  29           HZ1      LYS  29 -16.050   9.586   5.158
  250    HZ2  LYS  29           HZ2      LYS  29 -15.496   9.072   6.668
  251    HZ3  LYS  29           HZ3      LYS  29 -17.154   9.241   6.393
  252    H    LEU  30           H        LEU  30 -17.623   2.710   4.227
  253    HA   LEU  30           HA       LEU  30 -20.326   3.592   3.835
  254    HB2  LEU  30           HB3      LEU  30 -18.342   2.418   1.884
  255    HB3  LEU  30           HB2      LEU  30 -19.887   3.120   1.444
  256    HG   LEU  30           HG       LEU  30 -17.562   4.587   2.694
  257   HD11  LEU  30          HD11      LEU  30 -18.756   4.761  -0.067
  258   HD12  LEU  30          HD12      LEU  30 -17.218   4.004   0.346
  259   HD13  LEU  30          HD13      LEU  30 -17.430   5.742   0.559
  260   HD21  LEU  30          HD21      LEU  30 -19.643   5.520   3.487
  261   HD22  LEU  30          HD22      LEU  30 -20.281   5.573   1.845
  262   HD23  LEU  30          HD23      LEU  30 -18.925   6.605   2.297
  263    H    VAL  31           H        VAL  31 -18.639   0.505   3.169
  264    HA   VAL  31           HA       VAL  31 -20.970  -0.964   2.584
  265    HB   VAL  31           HB       VAL  31 -18.331  -1.985   3.655
  266   HG11  VAL  31          HG11      VAL  31 -20.512  -3.435   2.160
  267   HG12  VAL  31          HG12      VAL  31 -20.101  -3.646   3.862
  268   HG13  VAL  31          HG13      VAL  31 -18.947  -4.110   2.612
  269   HG21  VAL  31          HG21      VAL  31 -18.024  -0.693   1.628
  270   HG22  VAL  31          HG22      VAL  31 -19.283  -1.626   0.818
  271   HG23  VAL  31          HG23      VAL  31 -17.779  -2.409   1.303
  272    H    GLY  32           H        GLY  32 -19.389  -0.239   5.644
  273    HA2  GLY  32           HA3      GLY  32 -21.160  -0.310   7.492
  274    HA3  GLY  32           HA2      GLY  32 -21.293  -2.002   7.034
  275    H    GLU  33           H        GLU  33 -19.377   0.392   8.642
  276    HA   GLU  33           HA       GLU  33 -17.463  -1.691   9.441
  277    HB2  GLU  33           HB3      GLU  33 -16.698   0.420   8.130
  278    HB3  GLU  33           HB2      GLU  33 -16.973   1.282   9.630
  279    HG2  GLU  33           HG3      GLU  33 -15.082  -1.054   9.396
  280    HG3  GLU  33           HG2      GLU  33 -14.606   0.620   9.150
  281    H1   GLY   1           H1       GLY   1  19.777   2.891   8.688
  282    H2   GLY   1           H2       GLY   1  20.101   2.907   7.031
  283    H3   GLY   1           H3       GLY   1  21.374   2.959   8.139
  284    HA2  GLY   1           HA2      GLY   1  20.863   0.743   8.908
  285    HA3  GLY   1           HA3      GLY   1  19.503   0.686   7.794
  286    H    SER   2           H        SER   2  20.809  -1.312   7.180
  287    HA   SER   2           HA       SER   2  23.050  -0.719   5.428
  288    HB2  SER   2           HB3      SER   2  23.215  -3.175   5.218
  289    HB3  SER   2           HB2      SER   2  23.208  -2.669   6.903
  290    HG   SER   2           HG       SER   2  21.805  -4.430   6.563
  291    H    MET   3           H        MET   3  22.964  -2.152   3.288
  292    HA   MET   3           HA       MET   3  20.901  -1.062   1.681
  293    HB2  MET   3           HB3      MET   3  23.111  -1.633   0.770
  294    HB3  MET   3           HB2      MET   3  22.803  -3.337   1.076
  295    HG2  MET   3           HG3      MET   3  20.959  -3.301  -0.516
  296    HG3  MET   3           HG2      MET   3  21.242  -1.587  -0.811
  297    HE1  MET   3           HE1      MET   3  23.364  -0.617  -2.014
  298    HE2  MET   3           HE2      MET   3  24.714  -1.597  -2.591
  299    HE3  MET   3           HE3      MET   3  24.434  -1.415  -0.860
  300    H    LYS   4           H        LYS   4  21.518  -4.361   2.852
  301    HA   LYS   4           HA       LYS   4  19.184  -5.512   1.781
  302    HB2  LYS   4           HB3      LYS   4  21.070  -6.300   3.964
  303    HB3  LYS   4           HB2      LYS   4  19.571  -7.188   3.759
  304    HG2  LYS   4           HG3      LYS   4  21.315  -8.340   2.601
  305    HG3  LYS   4           HG2      LYS   4  20.212  -7.650   1.413
  306    HD2  LYS   4           HD3      LYS   4  21.775  -5.770   1.093
  307    HD3  LYS   4           HD2      LYS   4  22.881  -6.519   2.244
  308    HE2  LYS   4           HE3      LYS   4  21.957  -7.762  -0.340
  309    HE3  LYS   4           HE2      LYS   4  23.506  -6.958  -0.096
  310    HZ1  LYS   4           HZ1      LYS   4  22.590  -9.359   1.392
  311    HZ2  LYS   4           HZ2      LYS   4  24.106  -8.621   1.518
  312    HZ3  LYS   4           HZ3      LYS   4  23.655  -9.386   0.078
  313    H    GLN   5           H        GLN   5  19.735  -3.691   4.715
  314    HA   GLN   5           HA       GLN   5  17.382  -4.315   6.096
  315    HB2  GLN   5           HB3      GLN   5  19.297  -3.039   7.033
  316    HB3  GLN   5           HB2      GLN   5  18.860  -1.674   6.020
  317    HG2  GLN   5           HG3      GLN   5  16.883  -2.802   7.951
  318    HG3  GLN   5           HG2      GLN   5  18.159  -1.729   8.511
  319   HE21  GLN   5          HE21      GLN   5  18.167  -0.150   6.055
  320   HE22  GLN   5          HE22      GLN   5  16.745   0.828   6.121
  321    H    LEU   6           H        LEU   6  18.052  -1.854   3.640
  322    HA   LEU   6           HA       LEU   6  15.419  -0.783   3.587
  323    HB2  LEU   6           HB3      LEU   6  17.601  -0.720   1.494
  324    HB3  LEU   6           HB2      LEU   6  16.086   0.148   1.362
  325    HG   LEU   6           HG       LEU   6  18.128   0.601   3.540
  326   HD11  LEU   6          HD11      LEU   6  18.976   1.288   1.362
  327   HD12  LEU   6          HD12      LEU   6  18.607   2.689   2.367
  328   HD13  LEU   6          HD13      LEU   6  17.505   2.217   1.073
  329   HD21  LEU   6          HD21      LEU   6  15.600   2.068   2.798
  330   HD22  LEU   6          HD22      LEU   6  16.784   2.620   3.980
  331   HD23  LEU   6          HD23      LEU   6  15.882   1.134   4.267
  332    H    GLU   7           H        GLU   7  17.042  -3.370   1.878
  333    HA   GLU   7           HA       GLU   7  15.149  -3.890  -0.090
  334    HB2  GLU   7           HB3      GLU   7  17.438  -4.829  -0.013
  335    HB3  GLU   7           HB2      GLU   7  16.972  -5.828   1.353
  336    HG2  GLU   7           HG3      GLU   7  15.350  -6.998  -0.061
  337    HG3  GLU   7           HG2      GLU   7  15.865  -5.999  -1.440
  338    H    ASP   8           H        ASP   8  15.367  -5.002   3.258
  339    HA   ASP   8           HA       ASP   8  13.195  -6.788   3.227
  340    HB2  ASP   8           HB3      ASP   8  14.508  -5.194   5.407
  341    HB3  ASP   8           HB2      ASP   8  13.065  -6.142   5.738
  342    H    LYS   9           H        LYS   9  13.360  -3.348   4.002
  343    HA   LYS   9           HA       LYS   9  10.655  -2.875   4.566
  344    HB2  LYS   9           HB3      LYS   9  12.122  -0.871   2.895
  345    HB3  LYS   9           HB2      LYS   9  11.026  -0.608   4.239
  346    HG2  LYS   9           HG3      LYS   9  13.829  -1.673   4.523
  347    HG3  LYS   9           HG2      LYS   9  13.355   0.007   4.760
  348    HD2  LYS   9           HD3      LYS   9  12.352  -2.353   6.359
  349    HD3  LYS   9           HD2      LYS   9  13.568  -1.196   6.885
  350    HE2  LYS   9           HE3      LYS   9  10.720  -0.501   6.181
  351    HE3  LYS   9           HE2      LYS   9  11.323  -0.743   7.817
  352    HZ1  LYS   9           HZ1      LYS   9  11.231   1.601   7.217
  353    HZ2  LYS   9           HZ2      LYS   9  12.292   1.337   5.929
  354    HZ3  LYS   9           HZ3      LYS   9  12.821   1.114   7.518
  355    H    VAL  10           H        VAL  10  12.335  -2.783   1.470
  356    HA   VAL  10           HA       VAL  10  10.222  -1.955  -0.177
  357    HB   VAL  10           HB       VAL  10  12.523  -3.780  -0.908
  358   HG11  VAL  10          HG11      VAL  10  10.721  -3.806  -2.561
  359   HG12  VAL  10          HG12      VAL  10  12.152  -2.994  -3.191
  360   HG13  VAL  10          HG13      VAL  10  10.769  -2.046  -2.647
  361   HG21  VAL  10          HG21      VAL  10  13.575  -1.682  -1.733
  362   HG22  VAL  10          HG22      VAL  10  13.387  -1.745   0.019
  363   HG23  VAL  10          HG23      VAL  10  12.279  -0.776  -0.952
  364    H    GLU  11           H        GLU  11  11.281  -5.027   1.020
  365    HA   GLU  11           HA       GLU  11   9.547  -6.671  -0.538
  366    HB2  GLU  11           HB3      GLU  11  11.723  -7.144   0.994
  367    HB3  GLU  11           HB2      GLU  11  10.457  -7.656   2.099
  368    HG2  GLU  11           HG3      GLU  11  10.906  -8.700  -0.687
  369    HG3  GLU  11           HG2      GLU  11  11.321  -9.522   0.813
  370    H    GLU  12           H        GLU  12   9.411  -5.615   2.891
  371    HA   GLU  12           HA       GLU  12   6.995  -6.936   3.495
  372    HB2  GLU  12           HB3      GLU  12   8.390  -4.577   4.731
  373    HB3  GLU  12           HB2      GLU  12   6.870  -5.189   5.367
  374    HG2  GLU  12           HG3      GLU  12   9.388  -6.807   5.057
  375    HG3  GLU  12           HG2      GLU  12   8.828  -6.066   6.558
  376    H    LEU  13           H        LEU  13   7.537  -3.540   2.736
  377    HA   LEU  13           HA       LEU  13   4.971  -2.589   2.720
  378    HB2  LEU  13           HB3      LEU  13   7.255  -1.824   0.915
  379    HB3  LEU  13           HB2      LEU  13   5.783  -0.890   1.101
  380    HG   LEU  13           HG       LEU  13   7.679  -1.507   3.367
  381   HD11  LEU  13          HD11      LEU  13   8.418   0.814   3.141
  382   HD12  LEU  13          HD12      LEU  13   7.426   0.986   1.693
  383   HD13  LEU  13          HD13      LEU  13   8.790  -0.132   1.701
  384   HD21  LEU  13          HD21      LEU  13   5.360   0.407   3.119
  385   HD22  LEU  13          HD22      LEU  13   6.448   0.296   4.501
  386   HD23  LEU  13          HD23      LEU  13   5.404  -1.064   4.091
  387    H    LEU  14           H        LEU  14   6.562  -4.373   0.108
  388    HA   LEU  14           HA       LEU  14   4.577  -4.041  -1.832
  389    HB2  LEU  14           HB3      LEU  14   6.797  -5.937  -1.481
  390    HB3  LEU  14           HB2      LEU  14   5.410  -6.625  -2.291
  391    HG   LEU  14           HG       LEU  14   7.142  -5.717  -3.838
  392   HD11  LEU  14          HD11      LEU  14   4.475  -4.313  -3.987
  393   HD12  LEU  14          HD12      LEU  14   4.796  -5.960  -4.526
  394   HD13  LEU  14          HD13      LEU  14   5.589  -4.601  -5.322
  395   HD21  LEU  14          HD21      LEU  14   7.845  -3.800  -2.508
  396   HD22  LEU  14          HD22      LEU  14   6.264  -3.053  -2.737
  397   HD23  LEU  14          HD23      LEU  14   7.328  -3.307  -4.119
  398    H    SER  15           H        SER  15   4.913  -6.531   0.662
  399    HA   SER  15           HA       SER  15   2.570  -7.954   0.059
  400    HB2  SER  15           HB3      SER  15   4.381  -8.737   1.592
  401    HB3  SER  15           HB2      SER  15   3.834  -7.564   2.786
  402    HG   SER  15           HG       SER  15   2.417  -9.798   1.755
  403    H    LYS  16           H        LYS  16   3.170  -5.137   2.086
  404    HA   LYS  16           HA       LYS  16   0.551  -4.866   3.120
  405    HB2  LYS  16           HB3      LYS  16   2.592  -3.744   4.032
  406    HB3  LYS  16           HB2      LYS  16   2.598  -2.693   2.625
  407    HG2  LYS  16           HG3      LYS  16   1.606  -1.447   4.344
  408    HG3  LYS  16           HG2      LYS  16   0.273  -1.977   3.318
  409    HD2  LYS  16           HD3      LYS  16  -0.152  -3.836   4.884
  410    HD3  LYS  16           HD2      LYS  16   1.135  -3.226   5.925
  411    HE2  LYS  16           HE3      LYS  16  -1.433  -1.827   5.203
  412    HE3  LYS  16           HE2      LYS  16  -0.994  -2.483   6.776
  413    HZ1  LYS  16           HZ1      LYS  16   0.343  -0.226   5.388
  414    HZ2  LYS  16           HZ2      LYS  16   0.801  -0.858   6.891
  415    HZ3  LYS  16           HZ3      LYS  16  -0.705  -0.098   6.715
  416    H    ASN  17           H        ASN  17   2.218  -3.371   0.374
  417    HA   ASN  17           HA       ASN  17   0.258  -1.712  -0.630
  418    HB2  ASN  17           HB3      ASN  17   2.541  -1.814  -1.520
  419    HB3  ASN  17           HB2      ASN  17   2.228  -3.430  -2.144
  420   HD21  ASN  17          HD21      ASN  17   2.913  -2.458  -4.274
  421   HD22  ASN  17          HD22      ASN  17   1.732  -1.605  -5.183
  422    H    TYR  18           H        TYR  18   0.784  -5.130  -1.469
  423    HA   TYR  18           HA       TYR  18  -1.419  -5.235  -3.266
  424    HB2  TYR  18           HB3      TYR  18   0.175  -7.427  -1.935
  425    HB3  TYR  18           HB2      TYR  18  -1.135  -7.753  -3.063
  426    HD1  TYR  18           HD1      TYR  18   2.040  -8.264  -3.111
  427    HD2  TYR  18           HD2      TYR  18  -0.613  -5.543  -5.048
  428    HE1  TYR  18           HE1      TYR  18   3.616  -8.056  -4.983
  429    HE2  TYR  18           HE2      TYR  18   0.962  -5.336  -6.915
  430    HH   TYR  18           HH       TYR  18   3.383  -5.632  -7.334
  431    H    HIS  19           H        HIS  19  -1.068  -5.842   0.149
  432    HA   HIS  19           HA       HIS  19  -3.409  -7.322   0.589
  433    HB2  HIS  19           HB3      HIS  19  -1.518  -6.952   2.229
  434    HB3  HIS  19           HB2      HIS  19  -2.182  -5.350   2.524
  435    HD1  HIS  19           HD1      HIS  19  -2.414  -8.795   3.630
  436    HD2  HIS  19           HD2      HIS  19  -4.910  -5.470   3.634
  437    HE1  HIS  19           HE1      HIS  19  -4.210  -9.297   5.318
  438    HE2  HIS  19           HE2      HIS  19  -5.788  -7.338   5.191
  439    H    LEU  20           H        LEU  20  -2.826  -3.814   0.733
  440    HA   LEU  20           HA       LEU  20  -5.539  -3.278   1.469
  441    HB2  LEU  20           HB3      LEU  20  -3.278  -1.470   0.670
  442    HB3  LEU  20           HB2      LEU  20  -4.897  -0.884   0.943
  443    HG   LEU  20           HG       LEU  20  -3.468  -0.520   2.887
  444   HD11  LEU  20          HD11      LEU  20  -5.866  -0.800   3.174
  445   HD12  LEU  20          HD12      LEU  20  -4.971  -1.411   4.563
  446   HD13  LEU  20          HD13      LEU  20  -5.644  -2.535   3.382
  447   HD21  LEU  20          HD21      LEU  20  -1.952  -2.331   2.819
  448   HD22  LEU  20          HD22      LEU  20  -3.261  -3.511   2.899
  449   HD23  LEU  20          HD23      LEU  20  -2.904  -2.496   4.295
  450    H    GLU  21           H        GLU  21  -3.722  -3.219  -1.569
  451    HA   GLU  21           HA       GLU  21  -5.643  -1.923  -3.139
  452    HB2  GLU  21           HB3      GLU  21  -3.716  -4.115  -3.932
  453    HB3  GLU  21           HB2      GLU  21  -4.665  -3.178  -5.074
  454    HG2  GLU  21           HG3      GLU  21  -3.524  -1.124  -4.194
  455    HG3  GLU  21           HG2      GLU  21  -2.474  -2.191  -3.264
  456    H    ASN  22           H        ASN  22  -5.311  -5.365  -2.348
  457    HA   ASN  22           HA       ASN  22  -7.541  -6.241  -3.822
  458    HB2  ASN  22           HB3      ASN  22  -6.054  -7.371  -1.474
  459    HB3  ASN  22           HB2      ASN  22  -7.547  -8.128  -2.020
  460   HD21  ASN  22          HD21      ASN  22  -7.618  -9.079  -4.066
  461   HD22  ASN  22          HD22      ASN  22  -6.175  -9.516  -4.915
  462    H    GLU  23           H        GLU  23  -7.249  -5.258  -0.416
  463    HA   GLU  23           HA       GLU  23  -9.898  -5.650   0.350
  464    HB2  GLU  23           HB3      GLU  23  -7.695  -3.883   1.302
  465    HB3  GLU  23           HB2      GLU  23  -9.319  -3.573   1.897
  466    HG2  GLU  23           HG3      GLU  23  -7.948  -6.242   2.071
  467    HG3  GLU  23           HG2      GLU  23  -7.939  -5.035   3.356
  468    H    VAL  24           H        VAL  24  -8.386  -2.738  -1.020
  469    HA   VAL  24           HA       VAL  24 -10.595  -1.064  -1.008
  470    HB   VAL  24           HB       VAL  24  -8.321  -1.218  -2.994
  471   HG11  VAL  24          HG11      VAL  24 -10.384   0.961  -2.681
  472   HG12  VAL  24          HG12      VAL  24 -10.245  -0.136  -4.054
  473   HG13  VAL  24          HG13      VAL  24  -8.961   1.026  -3.720
  474   HG21  VAL  24          HG21      VAL  24  -8.885   0.539  -0.615
  475   HG22  VAL  24          HG22      VAL  24  -7.584   0.820  -1.765
  476   HG23  VAL  24          HG23      VAL  24  -7.590  -0.647  -0.784
  477    H    ALA  25           H        ALA  25  -9.483  -3.228  -3.618
  478    HA   ALA  25           HA       ALA  25 -11.487  -2.711  -5.472
  479    HB1  ALA  25           HB1      ALA  25 -10.025  -5.313  -5.050
  480    HB2  ALA  25           HB2      ALA  25  -9.428  -3.934  -5.976
  481    HB3  ALA  25           HB3      ALA  25 -10.858  -4.809  -6.521
  482    H    ARG  26           H        ARG  26 -11.485  -5.036  -2.809
  483    HA   ARG  26           HA       ARG  26 -13.878  -6.374  -3.470
  484    HB2  ARG  26           HB3      ARG  26 -12.666  -5.903  -0.736
  485    HB3  ARG  26           HB2      ARG  26 -13.892  -7.102  -1.122
  486    HG2  ARG  26           HG3      ARG  26 -12.361  -8.328  -2.481
  487    HG3  ARG  26           HG2      ARG  26 -11.154  -7.047  -2.347
  488    HD2  ARG  26           HD2      ARG  26 -11.012  -7.456   0.071
  489    HD3  ARG  26           HD1      ARG  26 -12.187  -8.761  -0.090
  490    HE   ARG  26           HE       ARG  26 -10.456  -9.756  -1.674
  491   HH11  ARG  26          HH11      ARG  26  -9.624  -7.780   1.102
  492   HH12  ARG  26          HH12      ARG  26  -8.069  -8.526   1.313
  493   HH21  ARG  26          HH21      ARG  26  -8.414 -10.735  -1.384
  494   HH22  ARG  26          HH22      ARG  26  -7.385 -10.210  -0.090
  495    H    LEU  27           H        LEU  27 -13.194  -3.731  -1.230
  496    HA   LEU  27           HA       LEU  27 -15.875  -3.303  -0.464
  497    HB2  LEU  27           HB3      LEU  27 -13.577  -1.346  -0.406
  498    HB3  LEU  27           HB2      LEU  27 -15.061  -1.235   0.526
  499    HG   LEU  27           HG       LEU  27 -13.034  -3.445   0.811
  500   HD11  LEU  27          HD11      LEU  27 -12.133  -1.275   1.498
  501   HD12  LEU  27          HD12      LEU  27 -12.376  -2.357   2.866
  502   HD13  LEU  27          HD13      LEU  27 -13.518  -1.049   2.568
  503   HD21  LEU  27          HD21      LEU  27 -15.446  -2.701   2.458
  504   HD22  LEU  27          HD22      LEU  27 -14.270  -3.946   2.872
  505   HD23  LEU  27          HD23      LEU  27 -15.278  -4.129   1.436
  506    H    LYS  28           H        LYS  28 -14.099  -2.258  -3.267
  507    HA   LYS  28           HA       LYS  28 -15.662   0.014  -3.907
  508    HB2  LYS  28           HB3      LYS  28 -13.948  -1.795  -5.616
  509    HB3  LYS  28           HB2      LYS  28 -14.786  -0.394  -6.260
  510    HG2  LYS  28           HG3      LYS  28 -12.764  -0.269  -4.038
  511    HG3  LYS  28           HG2      LYS  28 -12.380  -0.036  -5.744
  512    HD2  LYS  28           HD3      LYS  28 -14.053   1.835  -5.781
  513    HD3  LYS  28           HD2      LYS  28 -14.188   1.660  -4.014
  514    HE2  LYS  28           HE3      LYS  28 -11.749   2.074  -3.837
  515    HE3  LYS  28           HE2      LYS  28 -11.686   2.325  -5.577
  516    HZ1  LYS  28           HZ1      LYS  28 -12.986   4.267  -5.392
  517    HZ2  LYS  28           HZ2      LYS  28 -11.810   4.384  -4.175
  518    HZ3  LYS  28           HZ3      LYS  28 -13.399   3.948  -3.784
  519    H    LYS  29           H        LYS  29 -15.709  -3.355  -5.127
  520    HA   LYS  29           HA       LYS  29 -17.991  -2.996  -6.744
  521    HB2  LYS  29           HB3      LYS  29 -18.110  -5.420  -6.863
  522    HB3  LYS  29           HB2      LYS  29 -16.452  -4.868  -7.050
  523    HG2  LYS  29           HG3      LYS  29 -15.914  -5.530  -4.817
  524    HG3  LYS  29           HG2      LYS  29 -17.605  -5.902  -4.475
  525    HD2  LYS  29           HD3      LYS  29 -17.530  -7.630  -6.242
  526    HD3  LYS  29           HD2      LYS  29 -15.807  -7.311  -6.442
  527    HE2  LYS  29           HE3      LYS  29 -15.372  -7.986  -4.167
  528    HE3  LYS  29           HE2      LYS  29 -17.096  -8.175  -3.858
  529    HZ1  LYS  29           HZ1      LYS  29 -16.038 -10.301  -4.254
  530    HZ2  LYS  29           HZ2      LYS  29 -15.492  -9.786  -5.767
  531    HZ3  LYS  29           HZ3      LYS  29 -17.149  -9.964  -5.485
  532    H    LEU  30           H        LEU  30 -17.665  -3.433  -3.339
  533    HA   LEU  30           HA       LEU  30 -20.350  -4.340  -2.904
  534    HB2  LEU  30           HB3      LEU  30 -18.353  -3.128  -0.992
  535    HB3  LEU  30           HB2      LEU  30 -19.884  -3.843  -0.523
  536    HG   LEU  30           HG       LEU  30 -17.564  -5.297  -1.798
  537   HD11  LEU  30          HD11      LEU  30 -18.712  -5.464   0.984
  538   HD12  LEU  30          HD12      LEU  30 -17.190  -4.691   0.543
  539   HD13  LEU  30          HD13      LEU  30 -17.384  -6.433   0.344
  540   HD21  LEU  30          HD21      LEU  30 -19.648  -6.261  -2.549
  541   HD22  LEU  30          HD22      LEU  30 -20.261  -6.301  -0.895
  542   HD23  LEU  30          HD23      LEU  30 -18.904  -7.324  -1.357
  543    H    VAL  31           H        VAL  31 -18.691  -1.228  -2.291
  544    HA   VAL  31           HA       VAL  31 -21.033   0.213  -1.679
  545    HB   VAL  31           HB       VAL  31 -18.424   1.266  -2.795
  546   HG11  VAL  31          HG11      VAL  31 -20.607   2.694  -1.282
  547   HG12  VAL  31          HG12      VAL  31 -20.219   2.899  -2.991
  548   HG13  VAL  31          HG13      VAL  31 -19.056   3.388  -1.758
  549   HG21  VAL  31          HG21      VAL  31 -18.071  -0.007  -0.760
  550   HG22  VAL  31          HG22      VAL  31 -19.332   0.916   0.057
  551   HG23  VAL  31          HG23      VAL  31 -17.846   1.715  -0.454
  552    H    GLY  32           H        GLY  32 -19.479  -0.511  -4.758
  553    HA2  GLY  32           HA3      GLY  32 -21.281  -0.491  -6.580
  554    HA3  GLY  32           HA2      GLY  32 -21.434   1.206  -6.136
  555    H    GLU  33           H        GLU  33 -19.507  -1.173  -7.751
  556    HA   GLU  33           HA       GLU  33 -17.630   0.928  -8.594
  557    HB2  GLU  33           HB3      GLU  33 -16.822  -1.159  -7.272
  558    HB3  GLU  33           HB2      GLU  33 -17.109  -2.039  -8.760
  559    HG2  GLU  33           HG3      GLU  33 -15.243   0.320  -8.568
  560    HG3  GLU  33           HG2      GLU  33 -14.744  -1.347  -8.328
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  21.315  -2.547  -8.353
    2    H2   GLY   1           H2       GLY   1  19.719  -2.649  -8.901
    3    H3   GLY   1           H3       GLY   1  20.104  -3.122  -7.324
    4    HA2  GLY   1           HA2      GLY   1  20.319  -0.366  -8.392
    5    HA3  GLY   1           HA3      GLY   1  19.023  -0.954  -7.360
    6    H    SER   2           H        SER   2  20.735   1.227  -6.747
    7    HA   SER   2           HA       SER   2  22.609   0.283  -4.763
    8    HB2  SER   2           HB3      SER   2  22.944   2.728  -4.353
    9    HB3  SER   2           HB2      SER   2  23.191   2.262  -6.035
   10    HG   SER   2           HG       SER   2  21.865   3.928  -6.275
   11    H    MET   3           H        MET   3  22.428   1.569  -2.532
   12    HA   MET   3           HA       MET   3  20.013   0.670  -1.319
   13    HB2  MET   3           HB3      MET   3  20.936   1.319   0.728
   14    HB3  MET   3           HB2      MET   3  22.386   1.023  -0.225
   15    HG2  MET   3           HG3      MET   3  22.590   3.422  -0.643
   16    HG3  MET   3           HG2      MET   3  21.154   3.713   0.335
   17    HE1  MET   3           HE1      MET   3  22.386   2.520   3.883
   18    HE2  MET   3           HE2      MET   3  21.647   1.475   2.669
   19    HE3  MET   3           HE3      MET   3  21.016   3.103   2.935
   20    H    LYS   4           H        LYS   4  21.086   3.721  -2.649
   21    HA   LYS   4           HA       LYS   4  19.049   5.368  -1.622
   22    HB2  LYS   4           HB3      LYS   4  20.985   6.325  -2.731
   23    HB3  LYS   4           HB2      LYS   4  20.556   5.530  -4.239
   24    HG2  LYS   4           HG3      LYS   4  18.501   6.875  -4.341
   25    HG3  LYS   4           HG2      LYS   4  18.988   7.699  -2.860
   26    HD2  LYS   4           HD3      LYS   4  20.614   7.665  -5.399
   27    HD3  LYS   4           HD2      LYS   4  19.504   8.959  -4.947
   28    HE2  LYS   4           HE3      LYS   4  20.800   9.381  -2.929
   29    HE3  LYS   4           HE2      LYS   4  21.891   8.061  -3.340
   30    HZ1  LYS   4           HZ1      LYS   4  22.792  10.232  -3.942
   31    HZ2  LYS   4           HZ2      LYS   4  21.479  10.504  -4.976
   32    HZ3  LYS   4           HZ3      LYS   4  22.572   9.257  -5.304
   33    H    GLN   5           H        GLN   5  19.246   3.473  -4.615
   34    HA   GLN   5           HA       GLN   5  16.723   4.138  -5.635
   35    HB2  GLN   5           HB3      GLN   5  18.405   1.657  -5.984
   36    HB3  GLN   5           HB2      GLN   5  16.929   1.961  -6.889
   37    HG2  GLN   5           HG3      GLN   5  19.379   3.708  -6.907
   38    HG3  GLN   5           HG2      GLN   5  18.932   2.548  -8.158
   39   HE21  GLN   5          HE21      GLN   5  18.221   5.626  -6.714
   40   HE22  GLN   5          HE22      GLN   5  17.160   6.191  -7.956
   41    H    LEU   6           H        LEU   6  17.722   1.684  -3.327
   42    HA   LEU   6           HA       LEU   6  15.169   0.423  -3.160
   43    HB2  LEU   6           HB3      LEU   6  17.464   0.428  -1.191
   44    HB3  LEU   6           HB2      LEU   6  16.034  -0.573  -1.054
   45    HG   LEU   6           HG       LEU   6  18.073  -0.729  -3.279
   46   HD11  LEU   6          HD11      LEU   6  17.510  -2.585  -0.977
   47   HD12  LEU   6          HD12      LEU   6  18.931  -1.559  -1.162
   48   HD13  LEU   6          HD13      LEU   6  18.647  -2.884  -2.291
   49   HD21  LEU   6          HD21      LEU   6  15.610  -2.379  -2.725
   50   HD22  LEU   6          HD22      LEU   6  16.846  -2.768  -3.920
   51   HD23  LEU   6          HD23      LEU   6  15.876  -1.309  -4.102
   52    H    GLU   7           H        GLU   7  16.765   3.034  -1.430
   53    HA   GLU   7           HA       GLU   7  14.839   3.403   0.583
   54    HB2  GLU   7           HB3      GLU   7  16.999   4.413   0.814
   55    HB3  GLU   7           HB2      GLU   7  16.829   5.273  -0.708
   56    HG2  GLU   7           HG3      GLU   7  14.984   6.584   0.295
   57    HG3  GLU   7           HG2      GLU   7  15.324   5.791   1.851
   58    H    ASP   8           H        ASP   8  15.203   4.835  -2.646
   59    HA   ASP   8           HA       ASP   8  12.972   6.539  -2.534
   60    HB2  ASP   8           HB3      ASP   8  14.498   5.280  -4.787
   61    HB3  ASP   8           HB2      ASP   8  13.023   6.181  -5.119
   62    H    LYS   9           H        LYS   9  13.270   3.136  -3.245
   63    HA   LYS   9           HA       LYS   9  10.609   2.716  -4.143
   64    HB2  LYS   9           HB3      LYS   9  12.672   0.915  -2.896
   65    HB3  LYS   9           HB2      LYS   9  11.074   0.357  -3.325
   66    HG2  LYS   9           HG3      LYS   9  11.518   0.819  -5.683
   67    HG3  LYS   9           HG2      LYS   9  13.085   1.517  -5.259
   68    HD2  LYS   9           HD3      LYS   9  13.817  -0.645  -4.404
   69    HD3  LYS   9           HD2      LYS   9  12.245  -1.342  -4.795
   70    HE2  LYS   9           HE3      LYS   9  14.175  -0.145  -6.781
   71    HE3  LYS   9           HE2      LYS   9  13.946  -1.869  -6.491
   72    HZ1  LYS   9           HZ1      LYS   9  11.623  -1.609  -7.180
   73    HZ2  LYS   9           HZ2      LYS   9  12.696  -1.180  -8.412
   74    HZ3  LYS   9           HZ3      LYS   9  11.903   0.020  -7.530
   75    H    VAL  10           H        VAL  10  12.170   2.415  -1.010
   76    HA   VAL  10           HA       VAL  10  10.014   1.460   0.516
   77    HB   VAL  10           HB       VAL  10  12.254   3.312   1.386
   78   HG11  VAL  10          HG11      VAL  10  10.381   3.321   2.963
   79   HG12  VAL  10          HG12      VAL  10  11.800   2.530   3.649
   80   HG13  VAL  10          HG13      VAL  10  10.451   1.561   3.053
   81   HG21  VAL  10          HG21      VAL  10  13.341   1.273   2.207
   82   HG22  VAL  10          HG22      VAL  10  13.106   1.234   0.459
   83   HG23  VAL  10          HG23      VAL  10  12.038   0.308   1.514
   84    H    GLU  11           H        GLU  11  10.888   4.457  -0.796
   85    HA   GLU  11           HA       GLU  11   9.135   6.111   0.796
   86    HB2  GLU  11           HB3      GLU  11  11.341   6.800  -0.317
   87    HB3  GLU  11           HB2      GLU  11  10.434   6.874  -1.817
   88    HG2  GLU  11           HG3      GLU  11   9.750   8.467   0.642
   89    HG3  GLU  11           HG2      GLU  11  10.768   9.058  -0.667
   90    H    GLU  12           H        GLU  12   9.188   5.198  -2.694
   91    HA   GLU  12           HA       GLU  12   6.717   6.499  -3.211
   92    HB2  GLU  12           HB3      GLU  12   6.759   5.255  -5.376
   93    HB3  GLU  12           HB2      GLU  12   8.226   6.155  -5.033
   94    HG2  GLU  12           HG3      GLU  12   9.306   4.082  -4.300
   95    HG3  GLU  12           HG2      GLU  12   7.840   3.192  -4.703
   96    H    LEU  13           H        LEU  13   7.487   3.086  -2.672
   97    HA   LEU  13           HA       LEU  13   4.908   2.057  -2.937
   98    HB2  LEU  13           HB3      LEU  13   7.168   1.112  -1.177
   99    HB3  LEU  13           HB2      LEU  13   5.711   0.190  -1.499
  100    HG   LEU  13           HG       LEU  13   7.747   1.024  -3.570
  101   HD11  LEU  13          HD11      LEU  13   7.163  -1.669  -2.349
  102   HD12  LEU  13          HD12      LEU  13   8.596  -0.685  -2.057
  103   HD13  LEU  13          HD13      LEU  13   8.298  -1.352  -3.661
  104   HD21  LEU  13          HD21      LEU  13   5.273  -0.689  -3.793
  105   HD22  LEU  13          HD22      LEU  13   6.487  -0.482  -5.055
  106   HD23  LEU  13          HD23      LEU  13   5.522   0.896  -4.527
  107    H    LEU  14           H        LEU  14   6.509   3.401  -0.061
  108    HA   LEU  14           HA       LEU  14   4.473   2.816   1.762
  109    HB2  LEU  14           HB3      LEU  14   6.773   3.460   2.387
  110    HB3  LEU  14           HB2      LEU  14   6.456   5.093   1.846
  111    HG   LEU  14           HG       LEU  14   4.668   5.252   3.593
  112   HD11  LEU  14          HD11      LEU  14   4.783   3.615   5.447
  113   HD12  LEU  14          HD12      LEU  14   5.838   2.611   4.454
  114   HD13  LEU  14          HD13      LEU  14   4.180   2.923   3.943
  115   HD21  LEU  14          HD21      LEU  14   6.891   6.196   3.931
  116   HD22  LEU  14          HD22      LEU  14   7.460   4.649   4.557
  117   HD23  LEU  14          HD23      LEU  14   6.237   5.559   5.441
  118    H    SER  15           H        SER  15   5.038   5.682  -0.292
  119    HA   SER  15           HA       SER  15   2.904   7.236   0.601
  120    HB2  SER  15           HB3      SER  15   4.565   8.101  -0.965
  121    HB3  SER  15           HB2      SER  15   4.020   6.971  -2.205
  122    HG   SER  15           HG       SER  15   3.018   9.392  -1.523
  123    H    LYS  16           H        LYS  16   2.968   4.767  -1.949
  124    HA   LYS  16           HA       LYS  16   0.209   4.925  -2.576
  125    HB2  LYS  16           HB3      LYS  16   1.855   3.991  -4.118
  126    HB3  LYS  16           HB2      LYS  16   2.201   2.688  -2.995
  127    HG2  LYS  16           HG3      LYS  16  -0.106   1.873  -3.273
  128    HG3  LYS  16           HG2      LYS  16  -0.393   3.156  -4.451
  129    HD2  LYS  16           HD3      LYS  16   1.259   2.260  -5.932
  130    HD3  LYS  16           HD2      LYS  16   1.794   1.098  -4.720
  131    HE2  LYS  16           HE3      LYS  16   0.436  -0.036  -6.344
  132    HE3  LYS  16           HE2      LYS  16  -0.439   0.036  -4.817
  133    HZ1  LYS  16           HZ1      LYS  16  -1.912   0.541  -6.605
  134    HZ2  LYS  16           HZ2      LYS  16  -0.883   1.752  -7.194
  135    HZ3  LYS  16           HZ3      LYS  16  -1.663   1.957  -5.710
  136    H    ASN  17           H        ASN  17   2.093   2.894  -0.392
  137    HA   ASN  17           HA       ASN  17   0.138   1.117   0.465
  138    HB2  ASN  17           HB3      ASN  17   2.539   0.963   1.037
  139    HB3  ASN  17           HB2      ASN  17   2.372   2.362   2.086
  140   HD21  ASN  17          HD21      ASN  17   1.827  -1.051   1.769
  141   HD22  ASN  17          HD22      ASN  17   1.292  -1.303   3.386
  142    H    TYR  18           H        TYR  18   1.055   4.233   1.942
  143    HA   TYR  18           HA       TYR  18  -0.966   4.202   3.910
  144    HB2  TYR  18           HB3      TYR  18   0.661   6.433   2.711
  145    HB3  TYR  18           HB2      TYR  18  -0.605   6.763   3.885
  146    HD1  TYR  18           HD1      TYR  18  -0.212   4.405   5.708
  147    HD2  TYR  18           HD2      TYR  18   2.602   7.045   3.900
  148    HE1  TYR  18           HE1      TYR  18   1.364   3.978   7.537
  149    HE2  TYR  18           HE2      TYR  18   4.183   6.606   5.726
  150    HH   TYR  18           HH       TYR  18   3.722   4.076   7.994
  151    H    HIS  19           H        HIS  19  -0.881   5.372   0.615
  152    HA   HIS  19           HA       HIS  19  -3.287   6.810   0.587
  153    HB2  HIS  19           HB3      HIS  19  -1.423   6.649  -1.201
  154    HB3  HIS  19           HB2      HIS  19  -2.283   5.223  -1.764
  155    HD1  HIS  19           HD1      HIS  19  -5.081   5.887  -2.098
  156    HD2  HIS  19           HD2      HIS  19  -2.150   8.810  -2.593
  157    HE1  HIS  19           HE1      HIS  19  -6.125   7.673  -3.522
  158    HE2  HIS  19           HE2      HIS  19  -4.309   9.375  -3.894
  159    H    LEU  20           H        LEU  20  -2.617   3.420  -0.302
  160    HA   LEU  20           HA       LEU  20  -5.246   2.755  -1.008
  161    HB2  LEU  20           HB3      LEU  20  -3.090   0.940   0.066
  162    HB3  LEU  20           HB2      LEU  20  -4.560   0.417  -0.729
  163    HG   LEU  20           HG       LEU  20  -2.400   2.071  -2.036
  164   HD11  LEU  20          HD11      LEU  20  -3.084  -0.846  -2.299
  165   HD12  LEU  20          HD12      LEU  20  -1.621  -0.173  -1.582
  166   HD13  LEU  20          HD13      LEU  20  -1.932   0.028  -3.306
  167   HD21  LEU  20          HD21      LEU  20  -4.571   2.529  -2.991
  168   HD22  LEU  20          HD22      LEU  20  -4.907   0.805  -3.130
  169   HD23  LEU  20          HD23      LEU  20  -3.633   1.537  -4.107
  170    H    GLU  21           H        GLU  21  -3.591   2.654   2.108
  171    HA   GLU  21           HA       GLU  21  -5.598   1.180   3.444
  172    HB2  GLU  21           HB3      GLU  21  -3.113   1.885   4.153
  173    HB3  GLU  21           HB2      GLU  21  -3.987   3.163   4.981
  174    HG2  GLU  21           HG3      GLU  21  -5.362   1.405   6.096
  175    HG3  GLU  21           HG2      GLU  21  -4.303   0.193   5.374
  176    H    ASN  22           H        ASN  22  -5.342   4.490   2.516
  177    HA   ASN  22           HA       ASN  22  -7.289   5.560   4.296
  178    HB2  ASN  22           HB3      ASN  22  -6.399   6.515   1.565
  179    HB3  ASN  22           HB2      ASN  22  -7.443   7.426   2.649
  180   HD21  ASN  22          HD21      ASN  22  -4.843   8.108   1.558
  181   HD22  ASN  22          HD22      ASN  22  -3.806   8.391   2.915
  182    H    GLU  23           H        GLU  23  -7.457   4.516   0.886
  183    HA   GLU  23           HA       GLU  23 -10.214   4.851   0.572
  184    HB2  GLU  23           HB3      GLU  23  -8.261   3.015  -0.800
  185    HB3  GLU  23           HB2      GLU  23  -9.972   3.001  -1.202
  186    HG2  GLU  23           HG3      GLU  23  -8.954   4.374  -2.798
  187    HG3  GLU  23           HG2      GLU  23  -9.757   5.467  -1.675
  188    H    VAL  24           H        VAL  24  -8.360   2.059   1.729
  189    HA   VAL  24           HA       VAL  24 -10.380   0.179   1.921
  190    HB   VAL  24           HB       VAL  24  -8.117   0.601   3.885
  191   HG11  VAL  24          HG11      VAL  24  -8.438  -1.762   4.465
  192   HG12  VAL  24          HG12      VAL  24  -9.848  -1.822   3.408
  193   HG13  VAL  24          HG13      VAL  24  -9.865  -0.796   4.841
  194   HG21  VAL  24          HG21      VAL  24  -8.317  -1.193   1.469
  195   HG22  VAL  24          HG22      VAL  24  -6.968  -1.135   2.603
  196   HG23  VAL  24          HG23      VAL  24  -7.336   0.267   1.598
  197    H    ALA  25           H        ALA  25  -9.339   2.504   4.410
  198    HA   ALA  25           HA       ALA  25 -11.280   1.876   6.328
  199    HB1  ALA  25           HB1      ALA  25 -10.686   3.985   7.379
  200    HB2  ALA  25           HB2      ALA  25  -9.869   4.503   5.904
  201    HB3  ALA  25           HB3      ALA  25  -9.245   3.133   6.824
  202    H    ARG  26           H        ARG  26 -11.309   4.388   3.801
  203    HA   ARG  26           HA       ARG  26 -13.725   5.608   4.540
  204    HB2  ARG  26           HB3      ARG  26 -12.544   5.338   1.769
  205    HB3  ARG  26           HB2      ARG  26 -13.799   6.472   2.238
  206    HG2  ARG  26           HG3      ARG  26 -10.968   6.437   3.243
  207    HG3  ARG  26           HG2      ARG  26 -11.646   7.569   2.071
  208    HD2  ARG  26           HD2      ARG  26 -11.790   8.819   3.986
  209    HD3  ARG  26           HD1      ARG  26 -13.367   8.035   3.999
  210    HE   ARG  26           HE       ARG  26 -11.153   6.823   5.492
  211   HH11  ARG  26          HH11      ARG  26 -14.249   8.460   5.499
  212   HH12  ARG  26          HH12      ARG  26 -14.547   8.148   7.178
  213   HH21  ARG  26          HH21      ARG  26 -11.540   6.424   7.702
  214   HH22  ARG  26          HH22      ARG  26 -13.014   6.987   8.426
  215    H    LEU  27           H        LEU  27 -13.065   3.140   2.090
  216    HA   LEU  27           HA       LEU  27 -15.725   2.707   1.309
  217    HB2  LEU  27           HB3      LEU  27 -13.365   0.824   1.238
  218    HB3  LEU  27           HB2      LEU  27 -14.883   0.551   0.405
  219    HG   LEU  27           HG       LEU  27 -13.063   2.891  -0.112
  220   HD11  LEU  27          HD11      LEU  27 -11.981   0.816  -0.734
  221   HD12  LEU  27          HD12      LEU  27 -12.449   1.730  -2.166
  222   HD13  LEU  27          HD13      LEU  27 -13.401   0.334  -1.659
  223   HD21  LEU  27          HD21      LEU  27 -15.468   1.852  -1.599
  224   HD22  LEU  27          HD22      LEU  27 -14.428   3.174  -2.128
  225   HD23  LEU  27          HD23      LEU  27 -15.387   3.341  -0.660
  226    H    LYS  28           H        LYS  28 -13.953   1.541   4.059
  227    HA   LYS  28           HA       LYS  28 -15.552  -0.718   4.650
  228    HB2  LYS  28           HB3      LYS  28 -13.220   0.332   5.650
  229    HB3  LYS  28           HB2      LYS  28 -14.359   0.694   6.938
  230    HG2  LYS  28           HG3      LYS  28 -13.383  -1.384   7.472
  231    HG3  LYS  28           HG2      LYS  28 -15.010  -1.740   6.888
  232    HD2  LYS  28           HD3      LYS  28 -14.097  -2.275   4.675
  233    HD3  LYS  28           HD2      LYS  28 -12.461  -1.933   5.279
  234    HE2  LYS  28           HE3      LYS  28 -14.322  -4.105   6.252
  235    HE3  LYS  28           HE2      LYS  28 -12.891  -4.324   5.241
  236    HZ1  LYS  28           HZ1      LYS  28 -12.878  -3.259   8.015
  237    HZ2  LYS  28           HZ2      LYS  28 -11.521  -3.536   7.048
  238    HZ3  LYS  28           HZ3      LYS  28 -12.463  -4.836   7.572
  239    H    LYS  29           H        LYS  29 -15.486   2.593   5.978
  240    HA   LYS  29           HA       LYS  29 -17.771   2.384   7.567
  241    HB2  LYS  29           HB3      LYS  29 -16.270   4.244   7.832
  242    HB3  LYS  29           HB2      LYS  29 -16.523   4.755   6.171
  243    HG2  LYS  29           HG3      LYS  29 -18.903   5.234   6.756
  244    HG3  LYS  29           HG2      LYS  29 -18.501   4.893   8.441
  245    HD2  LYS  29           HD3      LYS  29 -16.881   6.687   8.454
  246    HD3  LYS  29           HD2      LYS  29 -17.164   6.996   6.739
  247    HE2  LYS  29           HE3      LYS  29 -18.353   8.613   8.117
  248    HE3  LYS  29           HE2      LYS  29 -19.487   7.590   7.236
  249    HZ1  LYS  29           HZ1      LYS  29 -18.700   7.215  10.075
  250    HZ2  LYS  29           HZ2      LYS  29 -19.835   6.295   9.226
  251    HZ3  LYS  29           HZ3      LYS  29 -20.143   7.923   9.551
  252    H    LEU  30           H        LEU  30 -17.411   3.075   4.143
  253    HA   LEU  30           HA       LEU  30 -20.067   3.977   3.716
  254    HB2  LEU  30           HB3      LEU  30 -18.089   2.809   1.762
  255    HB3  LEU  30           HB2      LEU  30 -19.579   3.620   1.324
  256    HG   LEU  30           HG       LEU  30 -17.234   4.893   2.736
  257   HD11  LEU  30          HD11      LEU  30 -16.746   4.403   0.416
  258   HD12  LEU  30          HD12      LEU  30 -16.966   6.137   0.639
  259   HD13  LEU  30          HD13      LEU  30 -18.251   5.172  -0.085
  260   HD21  LEU  30          HD21      LEU  30 -19.329   5.903   3.435
  261   HD22  LEU  30          HD22      LEU  30 -19.824   6.086   1.753
  262   HD23  LEU  30          HD23      LEU  30 -18.448   6.998   2.370
  263    H    VAL  31           H        VAL  31 -18.514   0.846   2.912
  264    HA   VAL  31           HA       VAL  31 -20.948  -0.405   2.206
  265    HB   VAL  31           HB       VAL  31 -18.643  -1.143   1.522
  266   HG11  VAL  31          HG11      VAL  31 -17.527  -1.085   3.661
  267   HG12  VAL  31          HG12      VAL  31 -17.468  -2.719   3.000
  268   HG13  VAL  31          HG13      VAL  31 -18.607  -2.330   4.289
  269   HG21  VAL  31          HG21      VAL  31 -20.503  -3.200   2.688
  270   HG22  VAL  31          HG22      VAL  31 -19.205  -3.542   1.544
  271   HG23  VAL  31          HG23      VAL  31 -20.558  -2.519   1.063
  272    H    GLY  32           H        GLY  32 -19.618   0.331   5.288
  273    HA2  GLY  32           HA3      GLY  32 -20.857  -1.833   6.713
  274    HA3  GLY  32           HA2      GLY  32 -20.086  -0.421   7.419
  275    H    GLU  33           H        GLU  33 -22.932  -1.178   5.440
  276    HA   GLU  33           HA       GLU  33 -24.459   0.854   6.885
  277    HB2  GLU  33           HB3      GLU  33 -24.484   0.719   4.356
  278    HB3  GLU  33           HB2      GLU  33 -25.329  -0.814   4.516
  279    HG2  GLU  33           HG3      GLU  33 -26.953   0.856   4.084
  280    HG3  GLU  33           HG2      GLU  33 -27.114   0.390   5.777
  281    H1   GLY   1           H1       GLY   1  21.405   2.260   8.803
  282    H2   GLY   1           H2       GLY   1  19.814   2.333   9.370
  283    H3   GLY   1           H3       GLY   1  20.178   2.842   7.799
  284    HA2  GLY   1           HA2      GLY   1  20.437   0.069   8.805
  285    HA3  GLY   1           HA3      GLY   1  19.123   0.661   7.801
  286    H    SER   2           H        SER   2  20.851  -1.485   7.134
  287    HA   SER   2           HA       SER   2  22.689  -0.483   5.140
  288    HB2  SER   2           HB3      SER   2  23.069  -2.906   4.687
  289    HB3  SER   2           HB2      SER   2  23.316  -2.474   6.378
  290    HG   SER   2           HG       SER   2  22.011  -4.141   6.628
  291    H    MET   3           H        MET   3  22.502  -1.734   2.892
  292    HA   MET   3           HA       MET   3  20.054  -0.868   1.727
  293    HB2  MET   3           HB3      MET   3  20.955  -1.480  -0.343
  294    HB3  MET   3           HB2      MET   3  22.413  -1.167   0.591
  295    HG2  MET   3           HG3      MET   3  22.666  -3.565   0.980
  296    HG3  MET   3           HG2      MET   3  21.223  -3.872   0.019
  297    HE1  MET   3           HE1      MET   3  22.380  -2.616  -3.531
  298    HE2  MET   3           HE2      MET   3  21.634  -1.606  -2.294
  299    HE3  MET   3           HE3      MET   3  21.038  -3.243  -2.574
  300    H    LYS   4           H        LYS   4  21.193  -3.914   3.009
  301    HA   LYS   4           HA       LYS   4  19.169  -5.579   1.978
  302    HB2  LYS   4           HB3      LYS   4  21.132  -6.525   3.045
  303    HB3  LYS   4           HB2      LYS   4  20.713  -5.761   4.572
  304    HG2  LYS   4           HG3      LYS   4  18.677  -7.137   4.679
  305    HG3  LYS   4           HG2      LYS   4  19.155  -7.931   3.178
  306    HD2  LYS   4           HD3      LYS   4  20.813  -7.909   5.693
  307    HD3  LYS   4           HD2      LYS   4  19.716  -9.213   5.243
  308    HE2  LYS   4           HE3      LYS   4  20.992  -9.602   3.207
  309    HE3  LYS   4           HE2      LYS   4  22.064  -8.264   3.609
  310    HZ1  LYS   4           HZ1      LYS   4  23.021 -10.415   4.188
  311    HZ2  LYS   4           HZ2      LYS   4  21.727 -10.727   5.229
  312    HZ3  LYS   4           HZ3      LYS   4  22.792  -9.458   5.563
  313    H    GLN   5           H        GLN   5  19.373  -3.721   4.996
  314    HA   GLN   5           HA       GLN   5  16.877  -4.445   6.036
  315    HB2  GLN   5           HB3      GLN   5  18.514  -1.939   6.406
  316    HB3  GLN   5           HB2      GLN   5  17.057  -2.288   7.325
  317    HG2  GLN   5           HG3      GLN   5  19.540  -3.989   7.280
  318    HG3  GLN   5           HG2      GLN   5  19.094  -2.855   8.555
  319   HE21  GLN   5          HE21      GLN   5  18.404  -5.927   7.078
  320   HE22  GLN   5          HE22      GLN   5  17.379  -6.525   8.332
  321    H    LEU   6           H        LEU   6  17.805  -1.945   3.750
  322    HA   LEU   6           HA       LEU   6  15.229  -0.722   3.635
  323    HB2  LEU   6           HB3      LEU   6  17.498  -0.660   1.634
  324    HB3  LEU   6           HB2      LEU   6  16.052   0.320   1.533
  325    HG   LEU   6           HG       LEU   6  18.117   0.473   3.733
  326   HD11  LEU   6          HD11      LEU   6  17.495   2.353   1.466
  327   HD12  LEU   6          HD12      LEU   6  18.933   1.345   1.617
  328   HD13  LEU   6          HD13      LEU   6  18.646   2.649   2.768
  329   HD21  LEU   6          HD21      LEU   6  15.623   2.095   3.235
  330   HD22  LEU   6          HD22      LEU   6  16.868   2.485   4.421
  331   HD23  LEU   6          HD23      LEU   6  15.922   1.008   4.592
  332    H    GLU   7           H        GLU   7  16.846  -3.280   1.846
  333    HA   GLU   7           HA       GLU   7  14.903  -3.653  -0.147
  334    HB2  GLU   7           HB3      GLU   7  17.073  -4.627  -0.419
  335    HB3  GLU   7           HB2      GLU   7  16.935  -5.511   1.093
  336    HG2  GLU   7           HG3      GLU   7  15.102  -6.840   0.097
  337    HG3  GLU   7           HG2      GLU   7  15.403  -6.019  -1.453
  338    H    ASP   8           H        ASP   8  15.326  -5.128   3.056
  339    HA   ASP   8           HA       ASP   8  13.118  -6.865   2.953
  340    HB2  ASP   8           HB3      ASP   8  14.652  -5.606   5.203
  341    HB3  ASP   8           HB2      ASP   8  13.195  -6.533   5.542
  342    H    LYS   9           H        LYS   9  13.375  -3.465   3.703
  343    HA   LYS   9           HA       LYS   9  10.718  -3.098   4.644
  344    HB2  LYS   9           HB3      LYS   9  12.736  -1.247   3.397
  345    HB3  LYS   9           HB2      LYS   9  11.137  -0.720   3.856
  346    HG2  LYS   9           HG3      LYS   9  11.616  -1.207   6.199
  347    HG3  LYS   9           HG2      LYS   9  13.191  -1.874   5.746
  348    HD2  LYS   9           HD3      LYS   9  13.874   0.315   4.911
  349    HD3  LYS   9           HD2      LYS   9  12.296   0.978   5.337
  350    HE2  LYS   9           HE3      LYS   9  14.277  -0.214   7.275
  351    HE3  LYS   9           HE2      LYS   9  14.012   1.509   7.016
  352    HZ1  LYS   9           HZ1      LYS   9  11.706   1.195   7.741
  353    HZ2  LYS   9           HZ2      LYS   9  12.810   0.768   8.947
  354    HZ3  LYS   9           HZ3      LYS   9  12.023  -0.434   8.057
  355    H    VAL  10           H        VAL  10  12.231  -2.732   1.494
  356    HA   VAL  10           HA       VAL  10  10.040  -1.788   0.011
  357    HB   VAL  10           HB       VAL  10  12.297  -3.594  -0.914
  358   HG11  VAL  10          HG11      VAL  10  10.405  -3.611  -2.468
  359   HG12  VAL  10          HG12      VAL  10  11.800  -2.787  -3.161
  360   HG13  VAL  10          HG13      VAL  10  10.444  -1.849  -2.537
  361   HG21  VAL  10          HG21      VAL  10  13.342  -1.525  -1.719
  362   HG22  VAL  10          HG22      VAL  10  13.129  -1.516   0.031
  363   HG23  VAL  10          HG23      VAL  10  12.033  -0.591  -0.995
  364    H    GLU  11           H        GLU  11  10.974  -4.788   1.275
  365    HA   GLU  11           HA       GLU  11   9.230  -6.443  -0.321
  366    HB2  GLU  11           HB3      GLU  11  11.461  -7.112   0.752
  367    HB3  GLU  11           HB2      GLU  11  10.573  -7.225   2.262
  368    HG2  GLU  11           HG3      GLU  11   9.883  -8.788  -0.212
  369    HG3  GLU  11           HG2      GLU  11  10.925  -9.385   1.073
  370    H    GLU  12           H        GLU  12   9.316  -5.584   3.179
  371    HA   GLU  12           HA       GLU  12   6.875  -6.931   3.709
  372    HB2  GLU  12           HB3      GLU  12   6.930  -5.719   5.892
  373    HB3  GLU  12           HB2      GLU  12   8.404  -6.595   5.512
  374    HG2  GLU  12           HG3      GLU  12   9.447  -4.497   4.796
  375    HG3  GLU  12           HG2      GLU  12   7.975  -3.629   5.230
  376    H    LEU  13           H        LEU  13   7.583  -3.496   3.213
  377    HA   LEU  13           HA       LEU  13   4.993  -2.514   3.528
  378    HB2  LEU  13           HB3      LEU  13   7.211  -1.507   1.752
  379    HB3  LEU  13           HB2      LEU  13   5.745  -0.615   2.109
  380    HG   LEU  13           HG       LEU  13   7.823  -1.446   4.138
  381   HD11  LEU  13          HD11      LEU  13   7.180   1.254   2.963
  382   HD12  LEU  13          HD12      LEU  13   8.625   0.297   2.635
  383   HD13  LEU  13          HD13      LEU  13   8.340   0.937   4.254
  384   HD21  LEU  13          HD21      LEU  13   5.327   0.225   4.417
  385   HD22  LEU  13          HD22      LEU  13   6.560   0.019   5.660
  386   HD23  LEU  13          HD23      LEU  13   5.611  -1.366   5.124
  387    H    LEU  14           H        LEU  14   6.573  -3.786   0.610
  388    HA   LEU  14           HA       LEU  14   4.505  -3.213  -1.177
  389    HB2  LEU  14           HB3      LEU  14   6.806  -3.812  -1.841
  390    HB3  LEU  14           HB2      LEU  14   6.520  -5.456  -1.318
  391    HG   LEU  14           HG       LEU  14   4.714  -5.620  -3.044
  392   HD11  LEU  14          HD11      LEU  14   4.779  -3.956  -4.876
  393   HD12  LEU  14          HD12      LEU  14   5.832  -2.949  -3.883
  394   HD13  LEU  14          HD13      LEU  14   4.185  -3.295  -3.354
  395   HD21  LEU  14          HD21      LEU  14   6.944  -6.526  -3.421
  396   HD22  LEU  14          HD22      LEU  14   7.486  -4.962  -4.031
  397   HD23  LEU  14          HD23      LEU  14   6.266  -5.877  -4.913
  398    H    SER  15           H        SER  15   5.141  -6.096   0.831
  399    HA   SER  15           HA       SER  15   3.019  -7.668  -0.063
  400    HB2  SER  15           HB3      SER  15   4.716  -8.534   1.467
  401    HB3  SER  15           HB2      SER  15   4.164  -7.437   2.733
  402    HG   SER  15           HG       SER  15   3.209  -9.867   2.042
  403    H    LYS  16           H        LYS  16   3.086  -5.235   2.524
  404    HA   LYS  16           HA       LYS  16   0.338  -5.448   3.189
  405    HB2  LYS  16           HB3      LYS  16   1.986  -4.507   4.728
  406    HB3  LYS  16           HB2      LYS  16   2.299  -3.184   3.618
  407    HG2  LYS  16           HG3      LYS  16  -0.015  -2.404   3.928
  408    HG3  LYS  16           HG2      LYS  16  -0.277  -3.709   5.087
  409    HD2  LYS  16           HD3      LYS  16   1.377  -2.814   6.570
  410    HD3  LYS  16           HD2      LYS  16   1.880  -1.622   5.373
  411    HE2  LYS  16           HE3      LYS  16   0.519  -0.540   7.027
  412    HE3  LYS  16           HE2      LYS  16  -0.372  -0.603   5.510
  413    HZ1  LYS  16           HZ1      LYS  16  -1.820  -1.156   7.311
  414    HZ2  LYS  16           HZ2      LYS  16  -0.764  -2.357   7.873
  415    HZ3  LYS  16           HZ3      LYS  16  -1.561  -2.558   6.397
  416    H    ASN  17           H        ASN  17   2.157  -3.355   1.010
  417    HA   ASN  17           HA       ASN  17   0.165  -1.597   0.203
  418    HB2  ASN  17           HB3      ASN  17   2.556  -1.404  -0.400
  419    HB3  ASN  17           HB2      ASN  17   2.392  -2.792  -1.463
  420   HD21  ASN  17          HD21      ASN  17   1.803   0.610  -1.096
  421   HD22  ASN  17          HD22      ASN  17   1.244   0.875  -2.703
  422    H    TYR  18           H        TYR  18   1.107  -4.675  -1.332
  423    HA   TYR  18           HA       TYR  18  -0.940  -4.649  -3.270
  424    HB2  TYR  18           HB3      TYR  18   0.741  -6.868  -2.127
  425    HB3  TYR  18           HB2      TYR  18  -0.536  -7.204  -3.287
  426    HD1  TYR  18           HD1      TYR  18  -0.213  -4.812  -5.080
  427    HD2  TYR  18           HD2      TYR  18   2.674  -7.430  -3.352
  428    HE1  TYR  18           HE1      TYR  18   1.327  -4.331  -6.925
  429    HE2  TYR  18           HE2      TYR  18   4.220  -6.942  -5.196
  430    HH   TYR  18           HH       TYR  18   3.697  -4.377  -7.400
  431    H    HIS  19           H        HIS  19  -0.791  -5.861   0.005
  432    HA   HIS  19           HA       HIS  19  -3.172  -7.341   0.044
  433    HB2  HIS  19           HB3      HIS  19  -1.286  -7.180   1.809
  434    HB3  HIS  19           HB2      HIS  19  -2.160  -5.775   2.406
  435    HD1  HIS  19           HD1      HIS  19  -4.946  -6.491   2.748
  436    HD2  HIS  19           HD2      HIS  19  -1.962  -9.366   3.186
  437    HE1  HIS  19           HE1      HIS  19  -5.946  -8.311   4.159
  438    HE2  HIS  19           HE2      HIS  19  -4.085  -9.962   4.531
  439    H    LEU  20           H        LEU  20  -2.544  -3.953   0.962
  440    HA   LEU  20           HA       LEU  20  -5.174  -3.341   1.722
  441    HB2  LEU  20           HB3      LEU  20  -3.058  -1.478   0.646
  442    HB3  LEU  20           HB2      LEU  20  -4.528  -0.986   1.461
  443    HG   LEU  20           HG       LEU  20  -2.330  -2.618   2.731
  444   HD11  LEU  20          HD11      LEU  20  -3.056   0.284   3.040
  445   HD12  LEU  20          HD12      LEU  20  -1.591  -0.356   2.292
  446   HD13  LEU  20          HD13      LEU  20  -1.875  -0.586   4.018
  447   HD21  LEU  20          HD21      LEU  20  -4.482  -3.124   3.697
  448   HD22  LEU  20          HD22      LEU  20  -4.843  -1.407   3.867
  449   HD23  LEU  20          HD23      LEU  20  -3.547  -2.134   4.816
  450    H    GLU  21           H        GLU  21  -3.565  -3.169  -1.413
  451    HA   GLU  21           HA       GLU  21  -5.613  -1.714  -2.702
  452    HB2  GLU  21           HB3      GLU  21  -3.129  -2.371  -3.459
  453    HB3  GLU  21           HB2      GLU  21  -3.997  -3.657  -4.284
  454    HG2  GLU  21           HG3      GLU  21  -5.417  -1.919  -5.366
  455    HG3  GLU  21           HG2      GLU  21  -4.380  -0.691  -4.643
  456    H    ASN  22           H        ASN  22  -5.292  -5.033  -1.824
  457    HA   ASN  22           HA       ASN  22  -7.247  -6.109  -3.589
  458    HB2  ASN  22           HB3      ASN  22  -6.302  -7.084  -0.881
  459    HB3  ASN  22           HB2      ASN  22  -7.351  -7.998  -1.959
  460   HD21  ASN  22          HD21      ASN  22  -4.698  -8.636  -0.923
  461   HD22  ASN  22          HD22      ASN  22  -3.697  -8.889  -2.309
  462    H    GLU  23           H        GLU  23  -7.385  -5.108  -0.167
  463    HA   GLU  23           HA       GLU  23 -10.131  -5.489   0.181
  464    HB2  GLU  23           HB3      GLU  23  -8.193  -3.640   1.556
  465    HB3  GLU  23           HB2      GLU  23  -9.899  -3.668   1.983
  466    HG2  GLU  23           HG3      GLU  23  -8.827  -5.043   3.540
  467    HG3  GLU  23           HG2      GLU  23  -9.626  -6.134   2.413
  468    H    VAL  24           H        VAL  24  -8.333  -2.657  -0.965
  469    HA   VAL  24           HA       VAL  24 -10.385  -0.807  -1.103
  470    HB   VAL  24           HB       VAL  24  -8.143  -1.168  -3.103
  471   HG11  VAL  24          HG11      VAL  24  -8.506   1.193  -3.651
  472   HG12  VAL  24          HG12      VAL  24  -9.902   1.225  -2.574
  473   HG13  VAL  24          HG13      VAL  24  -9.926   0.214  -4.018
  474   HG21  VAL  24          HG21      VAL  24  -8.340   0.591  -0.661
  475   HG22  VAL  24          HG22      VAL  24  -7.003   0.571  -1.812
  476   HG23  VAL  24          HG23      VAL  24  -7.336  -0.850  -0.823
  477    H    ALA  25           H        ALA  25  -9.341  -3.080  -3.640
  478    HA   ALA  25           HA       ALA  25 -11.319  -2.457  -5.521
  479    HB1  ALA  25           HB1      ALA  25 -10.707  -4.544  -6.611
  480    HB2  ALA  25           HB2      ALA  25  -9.859  -5.068  -5.156
  481    HB3  ALA  25           HB3      ALA  25  -9.272  -3.674  -6.065
  482    H    ARG  26           H        ARG  26 -11.275  -5.007  -3.029
  483    HA   ARG  26           HA       ARG  26 -13.686  -6.248  -3.753
  484    HB2  ARG  26           HB3      ARG  26 -12.476  -6.001  -0.992
  485    HB3  ARG  26           HB2      ARG  26 -13.718  -7.150  -1.465
  486    HG2  ARG  26           HG3      ARG  26 -10.898  -7.050  -2.499
  487    HG3  ARG  26           HG2      ARG  26 -11.543  -8.208  -1.336
  488    HD2  ARG  26           HD2      ARG  26 -11.684  -9.435  -3.267
  489    HD3  ARG  26           HD1      ARG  26 -13.275  -8.679  -3.249
  490    HE   ARG  26           HE       ARG  26 -11.104  -7.407  -4.755
  491   HH11  ARG  26          HH11      ARG  26 -14.170  -9.094  -4.730
  492   HH12  ARG  26          HH12      ARG  26 -14.503  -8.771  -6.401
  493   HH21  ARG  26          HH21      ARG  26 -11.539  -6.985  -6.961
  494   HH22  ARG  26          HH22      ARG  26 -13.012  -7.575  -7.666
  495    H    LEU  27           H        LEU  27 -13.026  -3.803  -1.277
  496    HA   LEU  27           HA       LEU  27 -15.682  -3.426  -0.453
  497    HB2  LEU  27           HB3      LEU  27 -13.353  -1.505  -0.387
  498    HB3  LEU  27           HB2      LEU  27 -14.864  -1.268   0.472
  499    HG   LEU  27           HG       LEU  27 -12.999  -3.585   0.930
  500   HD11  LEU  27          HD11      LEU  27 -11.940  -1.501   1.570
  501   HD12  LEU  27          HD12      LEU  27 -12.377  -2.443   2.994
  502   HD13  LEU  27          HD13      LEU  27 -13.357  -1.056   2.518
  503   HD21  LEU  27          HD21      LEU  27 -15.401  -2.606   2.464
  504   HD22  LEU  27          HD22      LEU  27 -14.333  -3.917   2.960
  505   HD23  LEU  27          HD23      LEU  27 -15.308  -4.080   1.501
  506    H    LYS  28           H        LYS  28 -13.967  -2.191  -3.209
  507    HA   LYS  28           HA       LYS  28 -15.609   0.048  -3.747
  508    HB2  LYS  28           HB3      LYS  28 -13.275  -0.948  -4.793
  509    HB3  LYS  28           HB2      LYS  28 -14.425  -1.312  -6.069
  510    HG2  LYS  28           HG3      LYS  28 -13.490   0.789  -6.590
  511    HG3  LYS  28           HG2      LYS  28 -15.116   1.111  -5.981
  512    HD2  LYS  28           HD3      LYS  28 -14.180   1.633  -3.774
  513    HD3  LYS  28           HD2      LYS  28 -12.547   1.326  -4.404
  514    HE2  LYS  28           HE3      LYS  28 -14.457   3.476  -5.332
  515    HE3  LYS  28           HE2      LYS  28 -13.024   3.712  -4.331
  516    HZ1  LYS  28           HZ1      LYS  28 -13.009   2.677  -7.113
  517    HZ2  LYS  28           HZ2      LYS  28 -11.648   2.968  -6.153
  518    HZ3  LYS  28           HZ3      LYS  28 -12.619   4.256  -6.658
  519    H    LYS  29           H        LYS  29 -15.509  -3.240  -5.127
  520    HA   LYS  29           HA       LYS  29 -17.819  -3.043  -6.681
  521    HB2  LYS  29           HB3      LYS  29 -16.294  -4.878  -6.991
  522    HB3  LYS  29           HB2      LYS  29 -16.517  -5.416  -5.334
  523    HG2  LYS  29           HG3      LYS  29 -18.893  -5.923  -5.892
  524    HG3  LYS  29           HG2      LYS  29 -18.524  -5.550  -7.577
  525    HD2  LYS  29           HD3      LYS  29 -16.877  -7.318  -7.643
  526    HD3  LYS  29           HD2      LYS  29 -17.129  -7.654  -5.928
  527    HE2  LYS  29           HE3      LYS  29 -18.319  -9.272  -7.299
  528    HE3  LYS  29           HE2      LYS  29 -19.452  -8.270  -6.398
  529    HZ1  LYS  29           HZ1      LYS  29 -18.714  -7.867  -9.246
  530    HZ2  LYS  29           HZ2      LYS  29 -19.853  -6.970  -8.376
  531    HZ3  LYS  29           HZ3      LYS  29 -20.134  -8.605  -8.704
  532    H    LEU  30           H        LEU  30 -17.399  -3.791  -3.271
  533    HA   LEU  30           HA       LEU  30 -20.037  -4.730  -2.818
  534    HB2  LEU  30           HB3      LEU  30 -18.047  -3.556  -0.879
  535    HB3  LEU  30           HB2      LEU  30 -19.519  -4.394  -0.429
  536    HG   LEU  30           HG       LEU  30 -17.175  -5.615  -1.891
  537   HD11  LEU  30          HD11      LEU  30 -16.670  -5.147   0.432
  538   HD12  LEU  30          HD12      LEU  30 -16.858  -6.881   0.180
  539   HD13  LEU  30          HD13      LEU  30 -18.152  -5.955   0.938
  540   HD21  LEU  30          HD21      LEU  30 -19.269  -6.646  -2.576
  541   HD22  LEU  30          HD22      LEU  30 -19.732  -6.865  -0.890
  542   HD23  LEU  30          HD23      LEU  30 -18.351  -7.743  -1.544
  543    H    VAL  31           H        VAL  31 -18.523  -1.583  -1.994
  544    HA   VAL  31           HA       VAL  31 -20.967  -0.383  -1.239
  545    HB   VAL  31           HB       VAL  31 -18.668   0.382  -0.572
  546   HG11  VAL  31          HG11      VAL  31 -17.577   0.368  -2.724
  547   HG12  VAL  31          HG12      VAL  31 -17.533   1.994  -2.043
  548   HG13  VAL  31          HG13      VAL  31 -18.680   1.605  -3.324
  549   HG21  VAL  31          HG21      VAL  31 -20.571   2.426  -1.691
  550   HG22  VAL  31          HG22      VAL  31 -19.265   2.773  -0.558
  551   HG23  VAL  31          HG23      VAL  31 -20.597   1.723  -0.074
  552    H    GLY  32           H        GLY  32 -19.669  -1.055  -4.347
  553    HA2  GLY  32           HA3      GLY  32 -20.958   1.109  -5.730
  554    HA3  GLY  32           HA2      GLY  32 -20.177  -0.284  -6.463
  555    H    GLU  33           H        GLU  33 -23.001   0.390  -4.424
  556    HA   GLU  33           HA       GLU  33 -24.526  -1.627  -5.888
  557    HB2  GLU  33           HB3      GLU  33 -24.516  -1.530  -3.355
  558    HB3  GLU  33           HB2      GLU  33 -25.391  -0.012  -3.482
  559    HG2  GLU  33           HG3      GLU  33 -26.975  -1.724  -3.055
  560    HG3  GLU  33           HG2      GLU  33 -27.171  -1.227  -4.736
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  20.910  -6.128  -4.198
    2    H2   GLY   1           H2       GLY   1  22.299  -5.183  -4.015
    3    H3   GLY   1           H3       GLY   1  21.495  -5.218  -5.499
    4    HA2  GLY   1           HA2      GLY   1  19.558  -4.170  -4.497
    5    HA3  GLY   1           HA3      GLY   1  20.420  -4.115  -2.965
    6    H    SER   2           H        SER   2  19.451  -1.804  -4.000
    7    HA   SER   2           HA       SER   2  21.887  -0.311  -4.520
    8    HB2  SER   2           HB3      SER   2  21.112  -0.876  -6.781
    9    HB3  SER   2           HB2      SER   2  19.511  -0.245  -6.403
   10    HG   SER   2           HG       SER   2  21.950   1.181  -6.654
   11    H    MET   3           H        MET   3  21.841   1.577  -3.450
   12    HA   MET   3           HA       MET   3  19.661   2.254  -1.778
   13    HB2  MET   3           HB3      MET   3  22.117   3.817  -2.568
   14    HB3  MET   3           HB2      MET   3  20.946   4.387  -1.389
   15    HG2  MET   3           HG3      MET   3  22.624   1.905  -1.185
   16    HG3  MET   3           HG2      MET   3  22.846   3.401  -0.285
   17    HE1  MET   3           HE1      MET   3  21.621   0.797   2.401
   18    HE2  MET   3           HE2      MET   3  22.867   1.981   2.006
   19    HE3  MET   3           HE3      MET   3  22.683   0.531   1.020
   20    H    LYS   4           H        LYS   4  20.637   3.253  -4.963
   21    HA   LYS   4           HA       LYS   4  18.988   5.509  -5.252
   22    HB2  LYS   4           HB3      LYS   4  20.757   4.962  -6.842
   23    HB3  LYS   4           HB2      LYS   4  19.910   3.495  -7.310
   24    HG2  LYS   4           HG3      LYS   4  18.085   4.823  -8.222
   25    HG3  LYS   4           HG2      LYS   4  18.903   6.302  -7.722
   26    HD2  LYS   4           HD3      LYS   4  20.021   4.283  -9.666
   27    HD3  LYS   4           HD2      LYS   4  19.209   5.780 -10.125
   28    HE2  LYS   4           HE3      LYS   4  21.748   5.553  -8.510
   29    HE3  LYS   4           HE2      LYS   4  21.635   6.032 -10.201
   30    HZ1  LYS   4           HZ1      LYS   4  21.848   7.957  -8.784
   31    HZ2  LYS   4           HZ2      LYS   4  20.489   7.504  -7.893
   32    HZ3  LYS   4           HZ3      LYS   4  20.322   7.955  -9.510
   33    H    GLN   5           H        GLN   5  18.444   2.112  -6.116
   34    HA   GLN   5           HA       GLN   5  15.757   2.416  -6.915
   35    HB2  GLN   5           HB3      GLN   5  17.134   0.467  -7.521
   36    HB3  GLN   5           HB2      GLN   5  17.189  -0.022  -5.834
   37    HG2  GLN   5           HG3      GLN   5  14.790  -0.392  -5.841
   38    HG3  GLN   5           HG2      GLN   5  14.701   0.152  -7.516
   39   HE21  GLN   5          HE21      GLN   5  13.976  -2.411  -6.317
   40   HE22  GLN   5          HE22      GLN   5  14.893  -3.607  -7.162
   41    H    LEU   6           H        LEU   6  17.164   1.161  -3.916
   42    HA   LEU   6           HA       LEU   6  14.945   0.787  -2.372
   43    HB2  LEU   6           HB3      LEU   6  16.871   0.112  -1.353
   44    HB3  LEU   6           HB2      LEU   6  17.758   1.553  -1.732
   45    HG   LEU   6           HG       LEU   6  17.307   1.018   0.709
   46   HD11  LEU   6          HD11      LEU   6  18.230   3.107   0.018
   47   HD12  LEU   6          HD12      LEU   6  17.071   3.353   1.323
   48   HD13  LEU   6          HD13      LEU   6  16.622   3.740  -0.338
   49   HD21  LEU   6          HD21      LEU   6  15.156   2.112   1.540
   50   HD22  LEU   6          HD22      LEU   6  15.047   0.490   0.870
   51   HD23  LEU   6          HD23      LEU   6  14.558   1.878  -0.102
   52    H    GLU   7           H        GLU   7  16.631   3.924  -2.714
   53    HA   GLU   7           HA       GLU   7  15.058   5.405  -1.004
   54    HB2  GLU   7           HB3      GLU   7  17.118   6.206  -2.118
   55    HB3  GLU   7           HB2      GLU   7  16.237   6.314  -3.634
   56    HG2  GLU   7           HG3      GLU   7  14.697   7.947  -2.537
   57    HG3  GLU   7           HG2      GLU   7  15.798   7.925  -1.138
   58    H    ASP   8           H        ASP   8  14.559   4.895  -4.491
   59    HA   ASP   8           HA       ASP   8  12.202   6.463  -4.592
   60    HB2  ASP   8           HB3      ASP   8  13.462   4.506  -6.489
   61    HB3  ASP   8           HB2      ASP   8  11.892   5.222  -6.832
   62    H    LYS   9           H        LYS   9  12.709   2.952  -4.539
   63    HA   LYS   9           HA       LYS   9   9.938   2.305  -4.785
   64    HB2  LYS   9           HB3      LYS   9  11.822   0.452  -3.357
   65    HB3  LYS   9           HB2      LYS   9  10.440   0.066  -4.362
   66    HG2  LYS   9           HG3      LYS   9  13.100   1.083  -5.327
   67    HG3  LYS   9           HG2      LYS   9  12.437  -0.536  -5.536
   68    HD2  LYS   9           HD3      LYS   9  11.422   2.027  -6.774
   69    HD3  LYS   9           HD2      LYS   9  12.191   0.673  -7.595
   70    HE2  LYS   9           HE3      LYS   9  10.326  -0.754  -7.155
   71    HE3  LYS   9           HE2      LYS   9   9.585   0.448  -6.100
   72    HZ1  LYS   9           HZ1      LYS   9  10.030   0.760  -9.014
   73    HZ2  LYS   9           HZ2      LYS   9   9.296   1.900  -7.997
   74    HZ3  LYS   9           HZ3      LYS   9   8.550   0.403  -8.279
   75    H    VAL  10           H        VAL  10  12.013   2.599  -1.930
   76    HA   VAL  10           HA       VAL  10  10.146   1.595  -0.060
   77    HB   VAL  10           HB       VAL  10  12.647   2.042   0.297
   78   HG11  VAL  10          HG11      VAL  10  11.608   4.786   0.956
   79   HG12  VAL  10          HG12      VAL  10  12.742   4.366  -0.326
   80   HG13  VAL  10          HG13      VAL  10  13.212   4.178   1.363
   81   HG21  VAL  10          HG21      VAL  10  11.161   1.208   2.035
   82   HG22  VAL  10          HG22      VAL  10  10.711   2.862   2.454
   83   HG23  VAL  10          HG23      VAL  10  12.370   2.309   2.696
   84    H    GLU  11           H        GLU  11  10.664   4.632  -1.614
   85    HA   GLU  11           HA       GLU  11   8.765   6.133  -0.064
   86    HB2  GLU  11           HB3      GLU  11  10.228   6.648  -2.629
   87    HB3  GLU  11           HB2      GLU  11   8.944   7.724  -2.099
   88    HG2  GLU  11           HG3      GLU  11  11.411   7.048  -0.515
   89    HG3  GLU  11           HG2      GLU  11  11.167   8.519  -1.456
   90    H    GLU  12           H        GLU  12   8.648   4.738  -3.378
   91    HA   GLU  12           HA       GLU  12   6.072   5.593  -4.027
   92    HB2  GLU  12           HB3      GLU  12   7.480   3.052  -4.863
   93    HB3  GLU  12           HB2      GLU  12   6.026   3.683  -5.617
   94    HG2  GLU  12           HG3      GLU  12   7.264   5.700  -6.267
   95    HG3  GLU  12           HG2      GLU  12   8.724   5.008  -5.560
   96    H    LEU  13           H        LEU  13   7.003   2.372  -2.947
   97    HA   LEU  13           HA       LEU  13   4.586   1.204  -2.536
   98    HB2  LEU  13           HB3      LEU  13   7.021   0.919  -0.784
   99    HB3  LEU  13           HB2      LEU  13   5.676  -0.203  -0.837
  100    HG   LEU  13           HG       LEU  13   7.542   0.392  -3.134
  101   HD11  LEU  13          HD11      LEU  13   7.338  -1.987  -1.297
  102   HD12  LEU  13          HD12      LEU  13   8.670  -0.834  -1.386
  103   HD13  LEU  13          HD13      LEU  13   8.337  -1.905  -2.747
  104   HD21  LEU  13          HD21      LEU  13   5.293  -1.598  -2.860
  105   HD22  LEU  13          HD22      LEU  13   6.438  -1.532  -4.199
  106   HD23  LEU  13          HD23      LEU  13   5.327  -0.191  -3.922
  107    H    LEU  14           H        LEU  14   6.322   3.213  -0.142
  108    HA   LEU  14           HA       LEU  14   4.336   2.878   1.851
  109    HB2  LEU  14           HB3      LEU  14   6.601   3.452   2.472
  110    HB3  LEU  14           HB2      LEU  14   6.512   4.956   1.582
  111    HG   LEU  14           HG       LEU  14   4.794   5.774   3.160
  112   HD11  LEU  14          HD11      LEU  14   3.823   3.675   3.863
  113   HD12  LEU  14          HD12      LEU  14   4.441   4.546   5.265
  114   HD13  LEU  14          HD13      LEU  14   5.347   3.187   4.604
  115   HD21  LEU  14          HD21      LEU  14   7.338   4.815   4.463
  116   HD22  LEU  14          HD22      LEU  14   6.297   6.112   5.049
  117   HD23  LEU  14          HD23      LEU  14   7.152   6.291   3.518
  118    H    SER  15           H        SER  15   4.981   5.501  -0.490
  119    HA   SER  15           HA       SER  15   2.957   7.234   0.342
  120    HB2  SER  15           HB3      SER  15   3.935   6.782  -2.488
  121    HB3  SER  15           HB2      SER  15   3.118   8.224  -1.883
  122    HG   SER  15           HG       SER  15   5.727   7.296  -1.387
  123    H    LYS  16           H        LYS  16   2.838   4.596  -2.050
  124    HA   LYS  16           HA       LYS  16   0.072   4.966  -2.618
  125    HB2  LYS  16           HB3      LYS  16   1.641   3.850  -4.182
  126    HB3  LYS  16           HB2      LYS  16   1.795   2.514  -3.052
  127    HG2  LYS  16           HG3      LYS  16  -0.584   2.005  -3.329
  128    HG3  LYS  16           HG2      LYS  16  -0.733   3.351  -4.461
  129    HD2  LYS  16           HD3      LYS  16   0.812   2.276  -5.992
  130    HD3  LYS  16           HD2      LYS  16   1.092   0.972  -4.839
  131    HE2  LYS  16           HE3      LYS  16  -1.287   0.336  -5.025
  132    HE3  LYS  16           HE2      LYS  16  -1.519   1.600  -6.229
  133    HZ1  LYS  16           HZ1      LYS  16   0.258  -0.762  -6.491
  134    HZ2  LYS  16           HZ2      LYS  16   0.129   0.484  -7.625
  135    HZ3  LYS  16           HZ3      LYS  16  -1.204  -0.503  -7.305
  136    H    ASN  17           H        ASN  17   1.880   2.863  -0.424
  137    HA   ASN  17           HA       ASN  17  -0.161   1.235   0.521
  138    HB2  ASN  17           HB3      ASN  17   2.275   1.044   1.096
  139    HB3  ASN  17           HB2      ASN  17   2.085   2.424   2.166
  140   HD21  ASN  17          HD21      ASN  17   1.473  -0.980   1.752
  141   HD22  ASN  17          HD22      ASN  17   0.900  -1.257   3.353
  142    H    TYR  18           H        TYR  18   0.909   4.382   1.807
  143    HA   TYR  18           HA       TYR  18  -0.938   4.702   3.817
  144    HB2  TYR  18           HB3      TYR  18   1.098   6.105   3.211
  145    HB3  TYR  18           HB2      TYR  18   0.065   6.917   2.039
  146    HD1  TYR  18           HD1      TYR  18   0.220   6.027   5.632
  147    HD2  TYR  18           HD2      TYR  18  -1.150   8.774   2.699
  148    HE1  TYR  18           HE1      TYR  18  -0.568   7.506   7.402
  149    HE2  TYR  18           HE2      TYR  18  -1.946  10.271   4.465
  150    HH   TYR  18           HH       TYR  18  -1.083   9.894   7.733
  151    H    HIS  19           H        HIS  19  -1.191   5.579   0.391
  152    HA   HIS  19           HA       HIS  19  -3.713   6.838   0.576
  153    HB2  HIS  19           HB3      HIS  19  -2.317   5.550  -1.774
  154    HB3  HIS  19           HB2      HIS  19  -3.816   6.460  -1.908
  155    HD1  HIS  19           HD1      HIS  19  -1.275   7.359  -3.393
  156    HD2  HIS  19           HD2      HIS  19  -2.427   8.764   0.348
  157    HE1  HIS  19           HE1      HIS  19  -0.146   9.592  -3.128
  158    HE2  HIS  19           HE2      HIS  19  -1.007  10.499  -0.938
  159    H    LEU  20           H        LEU  20  -2.769   3.528  -0.268
  160    HA   LEU  20           HA       LEU  20  -5.359   2.591  -0.850
  161    HB2  LEU  20           HB3      LEU  20  -2.976   1.049   0.168
  162    HB3  LEU  20           HB2      LEU  20  -4.422   0.341  -0.516
  163    HG   LEU  20           HG       LEU  20  -2.512   2.133  -2.014
  164   HD11  LEU  20          HD11      LEU  20  -2.904  -0.849  -2.108
  165   HD12  LEU  20          HD12      LEU  20  -1.497  -0.001  -1.468
  166   HD13  LEU  20          HD13      LEU  20  -1.873   0.088  -3.187
  167   HD21  LEU  20          HD21      LEU  20  -4.783   2.303  -2.858
  168   HD22  LEU  20          HD22      LEU  20  -4.903   0.546  -2.940
  169   HD23  LEU  20          HD23      LEU  20  -3.773   1.402  -3.988
  170    H    GLU  21           H        GLU  21  -3.462   2.497   2.150
  171    HA   GLU  21           HA       GLU  21  -5.243   1.004   3.698
  172    HB2  GLU  21           HB3      GLU  21  -2.801   2.039   4.125
  173    HB3  GLU  21           HB2      GLU  21  -3.745   3.242   4.981
  174    HG2  GLU  21           HG3      GLU  21  -3.752   0.279   5.561
  175    HG3  GLU  21           HG2      GLU  21  -2.865   1.506   6.457
  176    H    ASN  22           H        ASN  22  -5.042   4.492   3.154
  177    HA   ASN  22           HA       ASN  22  -7.188   5.186   4.864
  178    HB2  ASN  22           HB3      ASN  22  -5.824   6.616   2.598
  179    HB3  ASN  22           HB2      ASN  22  -7.198   7.321   3.441
  180   HD21  ASN  22          HD21      ASN  22  -5.929   9.022   4.181
  181   HD22  ASN  22          HD22      ASN  22  -4.791   8.824   5.469
  182    H    GLU  23           H        GLU  23  -7.023   4.270   1.477
  183    HA   GLU  23           HA       GLU  23  -9.746   4.839   0.895
  184    HB2  GLU  23           HB3      GLU  23  -7.587   3.261  -0.423
  185    HB3  GLU  23           HB2      GLU  23  -9.248   2.981  -0.924
  186    HG2  GLU  23           HG3      GLU  23  -7.865   5.652  -0.921
  187    HG3  GLU  23           HG2      GLU  23  -8.104   4.623  -2.335
  188    H    VAL  24           H        VAL  24  -8.025   1.899   1.870
  189    HA   VAL  24           HA       VAL  24 -10.116   0.091   1.856
  190    HB   VAL  24           HB       VAL  24  -7.856   0.262   3.866
  191   HG11  VAL  24          HG11      VAL  24  -9.694  -2.039   3.212
  192   HG12  VAL  24          HG12      VAL  24  -9.657  -1.130   4.722
  193   HG13  VAL  24          HG13      VAL  24  -8.277  -2.126   4.258
  194   HG21  VAL  24          HG21      VAL  24  -6.789  -1.437   2.460
  195   HG22  VAL  24          HG22      VAL  24  -7.071   0.060   1.572
  196   HG23  VAL  24          HG23      VAL  24  -8.129  -1.328   1.318
  197    H    ALA  25           H        ALA  25  -8.989   2.069   4.596
  198    HA   ALA  25           HA       ALA  25 -10.940   1.335   6.439
  199    HB1  ALA  25           HB1      ALA  25  -8.882   2.512   7.024
  200    HB2  ALA  25           HB2      ALA  25 -10.304   3.326   7.676
  201    HB3  ALA  25           HB3      ALA  25  -9.496   3.970   6.247
  202    H    ARG  26           H        ARG  26 -10.997   3.989   4.078
  203    HA   ARG  26           HA       ARG  26 -13.380   5.183   4.976
  204    HB2  ARG  26           HB3      ARG  26 -11.850   6.328   3.438
  205    HB3  ARG  26           HB2      ARG  26 -12.196   5.138   2.189
  206    HG2  ARG  26           HG3      ARG  26 -14.494   5.873   2.072
  207    HG3  ARG  26           HG2      ARG  26 -14.228   7.001   3.398
  208    HD2  ARG  26           HD2      ARG  26 -14.180   8.214   1.330
  209    HD3  ARG  26           HD1      ARG  26 -12.554   8.176   2.005
  210    HE   ARG  26           HE       ARG  26 -11.928   6.601   0.316
  211   HH11  ARG  26          HH11      ARG  26 -15.150   7.926  -0.098
  212   HH12  ARG  26          HH12      ARG  26 -15.194   7.607  -1.801
  213   HH21  ARG  26          HH21      ARG  26 -11.974   6.209  -1.928
  214   HH22  ARG  26          HH22      ARG  26 -13.391   6.645  -2.845
  215    H    LEU  27           H        LEU  27 -12.792   2.856   2.358
  216    HA   LEU  27           HA       LEU  27 -15.492   2.575   1.625
  217    HB2  LEU  27           HB3      LEU  27 -13.228   0.614   1.272
  218    HB3  LEU  27           HB2      LEU  27 -14.754   0.582   0.406
  219    HG   LEU  27           HG       LEU  27 -12.742   2.816   0.238
  220   HD11  LEU  27          HD11      LEU  27 -13.326   0.600  -1.712
  221   HD12  LEU  27          HD12      LEU  27 -11.881   0.743  -0.713
  222   HD13  LEU  27          HD13      LEU  27 -12.212   1.944  -1.958
  223   HD21  LEU  27          HD21      LEU  27 -15.232   2.242  -1.361
  224   HD22  LEU  27          HD22      LEU  27 -14.080   3.540  -1.678
  225   HD23  LEU  27          HD23      LEU  27 -15.026   3.544  -0.190
  226    H    LYS  28           H        LYS  28 -13.653   1.112   4.203
  227    HA   LYS  28           HA       LYS  28 -15.307  -1.101   4.726
  228    HB2  LYS  28           HB3      LYS  28 -13.605   0.586   6.573
  229    HB3  LYS  28           HB2      LYS  28 -14.442  -0.864   7.097
  230    HG2  LYS  28           HG3      LYS  28 -12.411  -0.833   4.883
  231    HG3  LYS  28           HG2      LYS  28 -12.012  -1.140   6.573
  232    HD2  LYS  28           HD3      LYS  28 -13.628  -3.035   6.552
  233    HD3  LYS  28           HD2      LYS  28 -13.844  -2.766   4.805
  234    HE2  LYS  28           HE3      LYS  28 -11.461  -3.185   4.451
  235    HE3  LYS  28           HE2      LYS  28 -11.232  -3.415   6.180
  236    HZ1  LYS  28           HZ1      LYS  28 -13.078  -5.082   4.580
  237    HZ2  LYS  28           HZ2      LYS  28 -12.498  -5.382   6.139
  238    HZ3  LYS  28           HZ3      LYS  28 -11.452  -5.489   4.809
  239    H    LYS  29           H        LYS  29 -15.279   2.202   6.047
  240    HA   LYS  29           HA       LYS  29 -17.560   1.993   7.652
  241    HB2  LYS  29           HB3      LYS  29 -16.590   4.455   6.186
  242    HB3  LYS  29           HB2      LYS  29 -17.575   4.420   7.639
  243    HG2  LYS  29           HG3      LYS  29 -15.759   3.613   8.952
  244    HG3  LYS  29           HG2      LYS  29 -14.781   3.315   7.515
  245    HD2  LYS  29           HD3      LYS  29 -14.758   5.732   7.061
  246    HD3  LYS  29           HD2      LYS  29 -15.695   6.004   8.531
  247    HE2  LYS  29           HE3      LYS  29 -13.893   5.043   9.865
  248    HE3  LYS  29           HE2      LYS  29 -12.964   4.734   8.400
  249    HZ1  LYS  29           HZ1      LYS  29 -13.785   7.415   9.377
  250    HZ2  LYS  29           HZ2      LYS  29 -12.863   7.103   7.998
  251    HZ3  LYS  29           HZ3      LYS  29 -12.240   6.748   9.526
  252    H    LEU  30           H        LEU  30 -17.244   2.484   4.205
  253    HA   LEU  30           HA       LEU  30 -19.957   3.354   3.842
  254    HB2  LEU  30           HB3      LEU  30 -17.675   2.726   2.042
  255    HB3  LEU  30           HB2      LEU  30 -19.288   2.684   1.362
  256    HG   LEU  30           HG       LEU  30 -18.248   4.837   0.951
  257   HD11  LEU  30          HD11      LEU  30 -20.437   5.057   3.006
  258   HD12  LEU  30          HD12      LEU  30 -20.665   4.757   1.284
  259   HD13  LEU  30          HD13      LEU  30 -19.981   6.288   1.831
  260   HD21  LEU  30          HD21      LEU  30 -18.067   5.096   3.949
  261   HD22  LEU  30          HD22      LEU  30 -17.710   6.367   2.779
  262   HD23  LEU  30          HD23      LEU  30 -16.713   4.914   2.835
  263    H    VAL  31           H        VAL  31 -18.216   0.319   3.082
  264    HA   VAL  31           HA       VAL  31 -20.498  -1.131   2.304
  265    HB   VAL  31           HB       VAL  31 -17.967  -2.203   3.571
  266   HG11  VAL  31          HG11      VAL  31 -18.505  -4.289   2.416
  267   HG12  VAL  31          HG12      VAL  31 -20.014  -3.583   1.837
  268   HG13  VAL  31          HG13      VAL  31 -19.768  -3.846   3.563
  269   HG21  VAL  31          HG21      VAL  31 -18.651  -1.707   0.679
  270   HG22  VAL  31          HG22      VAL  31 -17.229  -2.582   1.245
  271   HG23  VAL  31          HG23      VAL  31 -17.427  -0.873   1.634
  272    H    GLY  32           H        GLY  32 -19.122  -0.466   5.478
  273    HA2  GLY  32           HA3      GLY  32 -20.607  -0.392   7.370
  274    HA3  GLY  32           HA2      GLY  32 -21.511  -1.719   6.652
  275    H    GLU  33           H        GLU  33 -21.363  -3.114   8.336
  276    HA   GLU  33           HA       GLU  33 -20.523  -4.725   9.674
  277    HB2  GLU  33           HB3      GLU  33 -18.051  -4.475   7.932
  278    HB3  GLU  33           HB2      GLU  33 -18.340  -5.784   9.067
  279    HG2  GLU  33           HG3      GLU  33 -19.881  -5.154   6.560
  280    HG3  GLU  33           HG2      GLU  33 -18.847  -6.548   6.863
  281    H1   GLY   1           H1       GLY   1  20.891   5.914   4.563
  282    H2   GLY   1           H2       GLY   1  22.289   4.986   4.367
  283    H3   GLY   1           H3       GLY   1  21.499   5.012   5.856
  284    HA2  GLY   1           HA2      GLY   1  19.567   3.939   4.881
  285    HA3  GLY   1           HA3      GLY   1  20.407   3.897   3.337
  286    H    SER   2           H        SER   2  19.480   1.575   4.380
  287    HA   SER   2           HA       SER   2  21.942   0.111   4.867
  288    HB2  SER   2           HB3      SER   2  21.197   0.661   7.138
  289    HB3  SER   2           HB2      SER   2  19.594   0.021   6.784
  290    HG   SER   2           HG       SER   2  22.045  -1.393   6.993
  291    H    MET   3           H        MET   3  21.906  -1.766   3.785
  292    HA   MET   3           HA       MET   3  19.716  -2.472   2.145
  293    HB2  MET   3           HB3      MET   3  22.205  -4.002   2.899
  294    HB3  MET   3           HB2      MET   3  21.026  -4.585   1.733
  295    HG2  MET   3           HG3      MET   3  22.667  -2.079   1.517
  296    HG3  MET   3           HG2      MET   3  22.892  -3.569   0.605
  297    HE1  MET   3           HE1      MET   3  21.594  -0.979  -2.054
  298    HE2  MET   3           HE2      MET   3  22.857  -2.152  -1.676
  299    HE3  MET   3           HE3      MET   3  22.677  -0.704  -0.690
  300    H    LYS   4           H        LYS   4  20.738  -3.456   5.317
  301    HA   LYS   4           HA       LYS   4  19.131  -5.746   5.613
  302    HB2  LYS   4           HB3      LYS   4  20.920  -5.190   7.180
  303    HB3  LYS   4           HB2      LYS   4  20.066  -3.734   7.670
  304    HG2  LYS   4           HG3      LYS   4  18.269  -5.087   8.602
  305    HG3  LYS   4           HG2      LYS   4  19.100  -6.555   8.088
  306    HD2  LYS   4           HD3      LYS   4  20.219  -4.520  10.014
  307    HD3  LYS   4           HD2      LYS   4  19.438  -6.029  10.484
  308    HE2  LYS   4           HE3      LYS   4  21.945  -5.766   8.827
  309    HE3  LYS   4           HE2      LYS   4  21.867  -6.244  10.521
  310    HZ1  LYS   4           HZ1      LYS   4  22.082  -8.166   9.095
  311    HZ2  LYS   4           HZ2      LYS   4  20.692  -7.735   8.240
  312    HZ3  LYS   4           HZ3      LYS   4  20.575  -8.187   9.863
  313    H    GLN   5           H        GLN   5  18.557  -2.362   6.501
  314    HA   GLN   5           HA       GLN   5  15.885  -2.700   7.334
  315    HB2  GLN   5           HB3      GLN   5  17.242  -0.736   7.926
  316    HB3  GLN   5           HB2      GLN   5  17.270  -0.240   6.241
  317    HG2  GLN   5           HG3      GLN   5  14.864   0.094   6.283
  318    HG3  GLN   5           HG2      GLN   5  14.808  -0.447   7.961
  319   HE21  GLN   5          HE21      GLN   5  14.028   2.107   6.774
  320   HE22  GLN   5          HE22      GLN   5  14.950   3.317   7.597
  321    H    LEU   6           H        LEU   6  17.233  -1.419   4.321
  322    HA   LEU   6           HA       LEU   6  14.991  -1.073   2.809
  323    HB2  LEU   6           HB3      LEU   6  16.892  -0.369   1.762
  324    HB3  LEU   6           HB2      LEU   6  17.805  -1.798   2.126
  325    HG   LEU   6           HG       LEU   6  17.311  -1.268  -0.307
  326   HD11  LEU   6          HD11      LEU   6  18.271  -3.344   0.366
  327   HD12  LEU   6          HD12      LEU   6  17.098  -3.604  -0.924
  328   HD13  LEU   6          HD13      LEU   6  16.677  -3.998   0.744
  329   HD21  LEU   6          HD21      LEU   6  15.165  -2.389  -1.112
  330   HD22  LEU   6          HD22      LEU   6  15.044  -0.769  -0.437
  331   HD23  LEU   6          HD23      LEU   6  14.584  -2.165   0.538
  332    H    GLU   7           H        GLU   7  16.722  -4.188   3.127
  333    HA   GLU   7           HA       GLU   7  15.151  -5.684   1.427
  334    HB2  GLU   7           HB3      GLU   7  17.237  -6.457   2.513
  335    HB3  GLU   7           HB2      GLU   7  16.377  -6.582   4.041
  336    HG2  GLU   7           HG3      GLU   7  14.860  -8.248   2.970
  337    HG3  GLU   7           HG2      GLU   7  15.930  -8.201   1.549
  338    H    ASP   8           H        ASP   8  14.687  -5.188   4.925
  339    HA   ASP   8           HA       ASP   8  12.351  -6.791   5.041
  340    HB2  ASP   8           HB3      ASP   8  13.613  -4.836   6.938
  341    HB3  ASP   8           HB2      ASP   8  12.049  -5.563   7.295
  342    H    LYS   9           H        LYS   9  12.811  -3.274   5.003
  343    HA   LYS   9           HA       LYS   9  10.037  -2.665   5.285
  344    HB2  LYS   9           HB3      LYS   9  11.873  -0.782   3.836
  345    HB3  LYS   9           HB2      LYS   9  10.500  -0.419   4.863
  346    HG2  LYS   9           HG3      LYS   9  13.189  -1.401   5.785
  347    HG3  LYS   9           HG2      LYS   9  12.508   0.207   6.009
  348    HD2  LYS   9           HD3      LYS   9  11.546  -2.371   7.255
  349    HD3  LYS   9           HD2      LYS   9  12.315  -1.012   8.068
  350    HE2  LYS   9           HE3      LYS   9  10.423   0.393   7.669
  351    HE3  LYS   9           HE2      LYS   9   9.679  -0.818   6.626
  352    HZ1  LYS   9           HZ1      LYS   9  10.191  -1.143   9.532
  353    HZ2  LYS   9           HZ2      LYS   9   9.448  -2.282   8.519
  354    HZ3  LYS   9           HZ3      LYS   9   8.691  -0.798   8.832
  355    H    VAL  10           H        VAL  10  12.077  -2.919   2.400
  356    HA   VAL  10           HA       VAL  10  10.171  -1.940   0.560
  357    HB   VAL  10           HB       VAL  10  12.671  -2.355   0.166
  358   HG11  VAL  10          HG11      VAL  10  11.659  -5.110  -0.490
  359   HG12  VAL  10          HG12      VAL  10  12.804  -4.679   0.779
  360   HG13  VAL  10          HG13      VAL  10  13.250  -4.481  -0.915
  361   HG21  VAL  10          HG21      VAL  10  11.151  -1.535  -1.551
  362   HG22  VAL  10          HG22      VAL  10  10.718  -3.194  -1.968
  363   HG23  VAL  10          HG23      VAL  10  12.365  -2.618  -2.230
  364    H    GLU  11           H        GLU  11  10.750  -4.970   2.100
  365    HA   GLU  11           HA       GLU  11   8.853  -6.496   0.570
  366    HB2  GLU  11           HB3      GLU  11  10.361  -6.997   3.113
  367    HB3  GLU  11           HB2      GLU  11   9.078  -8.087   2.604
  368    HG2  GLU  11           HG3      GLU  11  11.510  -7.383   0.980
  369    HG3  GLU  11           HG2      GLU  11  11.294  -8.862   1.915
  370    H    GLU  12           H        GLU  12   8.762  -5.107   3.889
  371    HA   GLU  12           HA       GLU  12   6.207  -6.004   4.572
  372    HB2  GLU  12           HB3      GLU  12   7.593  -3.447   5.395
  373    HB3  GLU  12           HB2      GLU  12   6.157  -4.098   6.169
  374    HG2  GLU  12           HG3      GLU  12   7.427  -6.100   6.797
  375    HG3  GLU  12           HG2      GLU  12   8.871  -5.388   6.070
  376    H    LEU  13           H        LEU  13   7.082  -2.771   3.480
  377    HA   LEU  13           HA       LEU  13   4.641  -1.634   3.116
  378    HB2  LEU  13           HB3      LEU  13   7.045  -1.310   1.327
  379    HB3  LEU  13           HB2      LEU  13   5.684  -0.208   1.404
  380    HG   LEU  13           HG       LEU  13   7.594  -0.780   3.672
  381   HD11  LEU  13          HD11      LEU  13   7.333   1.598   1.839
  382   HD12  LEU  13          HD12      LEU  13   8.680   0.462   1.907
  383   HD13  LEU  13          HD13      LEU  13   8.356   1.528   3.274
  384   HD21  LEU  13          HD21      LEU  13   5.313   1.180   3.433
  385   HD22  LEU  13          HD22      LEU  13   6.475   1.126   4.757
  386   HD23  LEU  13          HD23      LEU  13   5.380  -0.230   4.491
  387    H    LEU  14           H        LEU  14   6.370  -3.609   0.690
  388    HA   LEU  14           HA       LEU  14   4.351  -3.297  -1.275
  389    HB2  LEU  14           HB3      LEU  14   6.615  -3.840  -1.926
  390    HB3  LEU  14           HB2      LEU  14   6.557  -5.348  -1.040
  391    HG   LEU  14           HG       LEU  14   4.830  -6.183  -2.598
  392   HD11  LEU  14          HD11      LEU  14   3.822  -4.096  -3.284
  393   HD12  LEU  14          HD12      LEU  14   4.430  -4.957  -4.696
  394   HD13  LEU  14          HD13      LEU  14   5.328  -3.586  -4.044
  395   HD21  LEU  14          HD21      LEU  14   7.344  -5.189  -3.930
  396   HD22  LEU  14          HD22      LEU  14   6.311  -6.496  -4.509
  397   HD23  LEU  14          HD23      LEU  14   7.187  -6.672  -2.989
  398    H    SER  15           H        SER  15   5.068  -5.920   1.045
  399    HA   SER  15           HA       SER  15   3.057  -7.678   0.243
  400    HB2  SER  15           HB3      SER  15   4.066  -7.213   3.061
  401    HB3  SER  15           HB2      SER  15   3.260  -8.666   2.467
  402    HG   SER  15           HG       SER  15   5.842  -7.691   1.908
  403    H    LYS  16           H        LYS  16   2.932  -5.044   2.640
  404    HA   LYS  16           HA       LYS  16   0.179  -5.458   3.249
  405    HB2  LYS  16           HB3      LYS  16   1.753  -4.325   4.797
  406    HB3  LYS  16           HB2      LYS  16   1.873  -2.982   3.671
  407    HG2  LYS  16           HG3      LYS  16  -0.512  -2.511   3.979
  408    HG3  LYS  16           HG2      LYS  16  -0.626  -3.860   5.111
  409    HD2  LYS  16           HD3      LYS  16   0.928  -2.766   6.621
  410    HD3  LYS  16           HD2      LYS  16   1.170  -1.457   5.467
  411    HE2  LYS  16           HE3      LYS  16  -1.217  -0.855   5.694
  412    HE3  LYS  16           HE2      LYS  16  -1.408  -2.121   6.904
  413    HZ1  LYS  16           HZ1      LYS  16   0.333   0.276   7.125
  414    HZ2  LYS  16           HZ2      LYS  16   0.263  -0.973   8.261
  415    HZ3  LYS  16           HZ3      LYS  16  -1.100  -0.016   7.977
  416    H    ASN  17           H        ASN  17   1.928  -3.322   1.036
  417    HA   ASN  17           HA       ASN  17  -0.153  -1.726   0.123
  418    HB2  ASN  17           HB3      ASN  17   2.275  -1.494  -0.485
  419    HB3  ASN  17           HB2      ASN  17   2.092  -2.873  -1.556
  420   HD21  ASN  17          HD21      ASN  17   1.440   0.519  -1.123
  421   HD22  ASN  17          HD22      ASN  17   0.843   0.795  -2.717
  422    H    TYR  18           H        TYR  18   0.947  -4.849  -1.190
  423    HA   TYR  18           HA       TYR  18  -0.922  -5.194  -3.172
  424    HB2  TYR  18           HB3      TYR  18   1.142  -6.568  -2.598
  425    HB3  TYR  18           HB2      TYR  18   0.135  -7.397  -1.413
  426    HD1  TYR  18           HD1      TYR  18   0.235  -6.497  -5.004
  427    HD2  TYR  18           HD2      TYR  18  -1.067  -9.262  -2.060
  428    HE1  TYR  18           HE1      TYR  18  -0.558  -7.982  -6.767
  429    HE2  TYR  18           HE2      TYR  18  -1.868 -10.767  -3.818
  430    HH   TYR  18           HH       TYR  18  -1.051 -10.356  -7.103
  431    H    HIS  19           H        HIS  19  -1.116  -6.081   0.255
  432    HA   HIS  19           HA       HIS  19  -3.623  -7.372   0.096
  433    HB2  HIS  19           HB3      HIS  19  -2.215  -6.076   2.435
  434    HB3  HIS  19           HB2      HIS  19  -3.700  -7.008   2.583
  435    HD1  HIS  19           HD1      HIS  19  -1.106  -7.866   4.027
  436    HD2  HIS  19           HD2      HIS  19  -2.319  -9.287   0.310
  437    HE1  HIS  19           HE1      HIS  19   0.026 -10.095   3.748
  438    HE2  HIS  19           HE2      HIS  19  -0.825 -10.994   1.554
  439    H    LEU  20           H        LEU  20  -2.716  -4.051   0.950
  440    HA   LEU  20           HA       LEU  20  -5.307  -3.150   1.568
  441    HB2  LEU  20           HB3      LEU  20  -2.961  -1.576   0.515
  442    HB3  LEU  20           HB2      LEU  20  -4.408  -0.888   1.222
  443    HG   LEU  20           HG       LEU  20  -2.450  -2.655   2.687
  444   HD11  LEU  20          HD11      LEU  20  -2.883   0.321   2.797
  445   HD12  LEU  20          HD12      LEU  20  -1.475  -0.506   2.131
  446   HD13  LEU  20          HD13      LEU  20  -1.821  -0.605   3.855
  447   HD21  LEU  20          HD21      LEU  20  -4.702  -2.863   3.565
  448   HD22  LEU  20          HD22      LEU  20  -4.849  -1.109   3.653
  449   HD23  LEU  20          HD23      LEU  20  -3.690  -1.949   4.681
  450    H    GLU  21           H        GLU  21  -3.455  -3.019  -1.457
  451    HA   GLU  21           HA       GLU  21  -5.276  -1.546  -2.977
  452    HB2  GLU  21           HB3      GLU  21  -2.825  -2.540  -3.439
  453    HB3  GLU  21           HB2      GLU  21  -3.760  -3.760  -4.279
  454    HG2  GLU  21           HG3      GLU  21  -3.841  -0.804  -4.867
  455    HG3  GLU  21           HG2      GLU  21  -2.931  -2.011  -5.767
  456    H    ASN  22           H        ASN  22  -5.020  -5.036  -2.457
  457    HA   ASN  22           HA       ASN  22  -7.183  -5.751  -4.138
  458    HB2  ASN  22           HB3      ASN  22  -5.767  -7.172  -1.892
  459    HB3  ASN  22           HB2      ASN  22  -7.140  -7.894  -2.724
  460   HD21  ASN  22          HD21      ASN  22  -5.838  -9.571  -3.481
  461   HD22  ASN  22          HD22      ASN  22  -4.725  -9.340  -4.785
  462    H    GLU  23           H        GLU  23  -6.978  -4.840  -0.746
  463    HA   GLU  23           HA       GLU  23  -9.685  -5.452  -0.125
  464    HB2  GLU  23           HB3      GLU  23  -7.530  -3.847   1.167
  465    HB3  GLU  23           HB2      GLU  23  -9.188  -3.592   1.692
  466    HG2  GLU  23           HG3      GLU  23  -7.763  -6.241   1.664
  467    HG3  GLU  23           HG2      GLU  23  -8.005  -5.221   3.083
  468    H    VAL  24           H        VAL  24  -8.019  -2.486  -1.116
  469    HA   VAL  24           HA       VAL  24 -10.134  -0.709  -1.069
  470    HB   VAL  24           HB       VAL  24  -7.901  -0.843  -3.111
  471   HG11  VAL  24          HG11      VAL  24  -9.761   1.431  -2.420
  472   HG12  VAL  24          HG12      VAL  24  -9.735   0.527  -3.935
  473   HG13  VAL  24          HG13      VAL  24  -8.362   1.540  -3.486
  474   HG21  VAL  24          HG21      VAL  24  -6.836   0.865  -1.712
  475   HG22  VAL  24          HG22      VAL  24  -7.087  -0.640  -0.826
  476   HG23  VAL  24          HG23      VAL  24  -8.159   0.733  -0.553
  477    H    ALA  25           H        ALA  25  -9.020  -2.664  -3.830
  478    HA   ALA  25           HA       ALA  25 -11.001  -1.952  -5.644
  479    HB1  ALA  25           HB1      ALA  25  -8.939  -3.099  -6.262
  480    HB2  ALA  25           HB2      ALA  25 -10.359  -3.931  -6.896
  481    HB3  ALA  25           HB3      ALA  25  -9.522  -4.568  -5.481
  482    H    ARG  26           H        ARG  26 -10.994  -4.616  -3.294
  483    HA   ARG  26           HA       ARG  26 -13.376  -5.837  -4.155
  484    HB2  ARG  26           HB3      ARG  26 -11.806  -6.959  -2.640
  485    HB3  ARG  26           HB2      ARG  26 -12.155  -5.779  -1.385
  486    HG2  ARG  26           HG3      ARG  26 -14.439  -6.550  -1.241
  487    HG3  ARG  26           HG2      ARG  26 -14.174  -7.668  -2.576
  488    HD2  ARG  26           HD2      ARG  26 -14.083  -8.888  -0.510
  489    HD3  ARG  26           HD1      ARG  26 -12.467  -8.827  -1.207
  490    HE   ARG  26           HE       ARG  26 -11.840  -7.249   0.475
  491   HH11  ARG  26          HH11      ARG  26 -15.037  -8.620   0.936
  492   HH12  ARG  26          HH12      ARG  26 -15.056  -8.308   2.642
  493   HH21  ARG  26          HH21      ARG  26 -11.860  -6.857   2.721
  494   HH22  ARG  26          HH22      ARG  26 -13.258  -7.316   3.657
  495    H    LEU  27           H        LEU  27 -12.779  -3.510  -1.539
  496    HA   LEU  27           HA       LEU  27 -15.472  -3.266  -0.768
  497    HB2  LEU  27           HB3      LEU  27 -13.229  -1.274  -0.442
  498    HB3  LEU  27           HB2      LEU  27 -14.744  -1.266   0.445
  499    HG   LEU  27           HG       LEU  27 -12.701  -3.473   0.578
  500   HD11  LEU  27          HD11      LEU  27 -13.288  -1.270   2.540
  501   HD12  LEU  27          HD12      LEU  27 -11.853  -1.391   1.521
  502   HD13  LEU  27          HD13      LEU  27 -12.153  -2.598   2.769
  503   HD21  LEU  27          HD21      LEU  27 -15.175  -2.934   2.212
  504   HD22  LEU  27          HD22      LEU  27 -14.003  -4.217   2.510
  505   HD23  LEU  27          HD23      LEU  27 -14.968  -4.233   1.036
  506    H    LYS  28           H        LYS  28 -13.689  -1.768  -3.366
  507    HA   LYS  28           HA       LYS  28 -15.383   0.421  -3.866
  508    HB2  LYS  28           HB3      LYS  28 -13.684  -1.240  -5.739
  509    HB3  LYS  28           HB2      LYS  28 -14.546   0.201  -6.249
  510    HG2  LYS  28           HG3      LYS  28 -12.487   0.190  -4.061
  511    HG3  LYS  28           HG2      LYS  28 -12.113   0.506  -5.756
  512    HD2  LYS  28           HD3      LYS  28 -13.754   2.379  -5.707
  513    HD3  LYS  28           HD2      LYS  28 -13.941   2.104  -3.958
  514    HE2  LYS  28           HE3      LYS  28 -11.557   2.551  -3.638
  515    HE3  LYS  28           HE2      LYS  28 -11.361   2.794  -5.371
  516    HZ1  LYS  28           HZ1      LYS  28 -13.206   4.426  -3.737
  517    HZ2  LYS  28           HZ2      LYS  28 -12.644   4.743  -5.299
  518    HZ3  LYS  28           HZ3      LYS  28 -11.586   4.855  -3.977
  519    H    LYS  29           H        LYS  29 -15.333  -2.882  -5.186
  520    HA   LYS  29           HA       LYS  29 -17.635  -2.697  -6.766
  521    HB2  LYS  29           HB3      LYS  29 -16.614  -5.153  -5.322
  522    HB3  LYS  29           HB2      LYS  29 -17.619  -5.125  -6.763
  523    HG2  LYS  29           HG3      LYS  29 -15.831  -4.291  -8.098
  524    HG3  LYS  29           HG2      LYS  29 -14.838  -3.979  -6.672
  525    HD2  LYS  29           HD3      LYS  29 -14.772  -6.396  -6.219
  526    HD3  LYS  29           HD2      LYS  29 -15.722  -6.682  -7.680
  527    HE2  LYS  29           HE3      LYS  29 -13.951  -5.694  -9.035
  528    HE3  LYS  29           HE2      LYS  29 -13.008  -5.370  -7.580
  529    HZ1  LYS  29           HZ1      LYS  29 -13.802  -8.063  -8.546
  530    HZ2  LYS  29           HZ2      LYS  29 -12.867  -7.738  -7.175
  531    HZ3  LYS  29           HZ3      LYS  29 -12.266  -7.376  -8.713
  532    H    LEU  30           H        LEU  30 -17.265  -3.196  -3.325
  533    HA   LEU  30           HA       LEU  30 -19.962  -4.099  -2.929
  534    HB2  LEU  30           HB3      LEU  30 -17.664  -3.445  -1.159
  535    HB3  LEU  30           HB2      LEU  30 -19.268  -3.427  -0.457
  536    HG   LEU  30           HG       LEU  30 -18.192  -5.567  -0.065
  537   HD11  LEU  30          HD11      LEU  30 -20.408  -5.815  -2.089
  538   HD12  LEU  30          HD12      LEU  30 -20.615  -5.523  -0.363
  539   HD13  LEU  30          HD13      LEU  30 -19.914  -7.042  -0.923
  540   HD21  LEU  30          HD21      LEU  30 -18.051  -5.816  -3.066
  541   HD22  LEU  30          HD22      LEU  30 -17.657  -7.084  -1.906
  542   HD23  LEU  30          HD23      LEU  30 -16.682  -5.616  -1.972
  543    H    VAL  31           H        VAL  31 -18.248  -1.045  -2.180
  544    HA   VAL  31           HA       VAL  31 -20.534   0.375  -1.368
  545    HB   VAL  31           HB       VAL  31 -18.036   1.481  -2.669
  546   HG11  VAL  31          HG11      VAL  31 -18.582   3.558  -1.503
  547   HG12  VAL  31          HG12      VAL  31 -20.070   2.830  -0.898
  548   HG13  VAL  31          HG13      VAL  31 -19.861   3.100  -2.629
  549   HG21  VAL  31          HG21      VAL  31 -18.675   0.967   0.231
  550   HG22  VAL  31          HG22      VAL  31 -17.273   1.864  -0.351
  551   HG23  VAL  31          HG23      VAL  31 -17.451   0.153  -0.743
  552    H    GLY  32           H        GLY  32 -19.195  -0.257  -4.566
  553    HA2  GLY  32           HA3      GLY  32 -20.712  -0.356  -6.432
  554    HA3  GLY  32           HA2      GLY  32 -21.622   0.959  -5.698
  555    H    GLU  33           H        GLU  33 -21.516   2.361  -7.382
  556    HA   GLU  33           HA       GLU  33 -20.720   3.982  -8.737
  557    HB2  GLU  33           HB3      GLU  33 -18.223   3.769  -7.022
  558    HB3  GLU  33           HB2      GLU  33 -18.549   5.077  -8.147
  559    HG2  GLU  33           HG3      GLU  33 -20.052   4.412  -5.624
  560    HG3  GLU  33           HG2      GLU  33 -19.029   5.816  -5.926
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  21.342  -4.055  -5.945
    2    H2   GLY   1           H2       GLY   1  20.686  -2.719  -6.741
    3    H3   GLY   1           H3       GLY   1  20.094  -3.174  -5.226
    4    HA2  GLY   1           HA2      GLY   1  22.201  -2.636  -4.195
    5    HA3  GLY   1           HA3      GLY   1  22.832  -2.180  -5.772
    6    H    SER   2           H        SER   2  23.248  -0.156  -4.553
    7    HA   SER   2           HA       SER   2  22.881   2.047  -4.240
    8    HB2  SER   2           HB3      SER   2  22.004   2.054  -6.507
    9    HB3  SER   2           HB2      SER   2  20.418   1.550  -5.927
   10    HG   SER   2           HG       SER   2  21.084   3.964  -6.307
   11    H    MET   3           H        MET   3  22.558   2.496  -2.178
   12    HA   MET   3           HA       MET   3  20.266   1.667  -0.707
   13    HB2  MET   3           HB3      MET   3  22.380   3.738  -0.102
   14    HB3  MET   3           HB2      MET   3  21.113   3.278   1.026
   15    HG2  MET   3           HG3      MET   3  21.951   0.969   0.989
   16    HG3  MET   3           HG2      MET   3  23.251   1.478  -0.088
   17    HE1  MET   3           HE1      MET   3  23.791  -0.058   2.666
   18    HE2  MET   3           HE2      MET   3  25.172   0.869   3.252
   19    HE3  MET   3           HE3      MET   3  25.042   0.465   1.540
   20    H    LYS   4           H        LYS   4  21.030   4.388  -2.697
   21    HA   LYS   4           HA       LYS   4  18.945   6.090  -1.765
   22    HB2  LYS   4           HB3      LYS   4  20.898   6.929  -3.042
   23    HB3  LYS   4           HB2      LYS   4  20.297   6.092  -4.469
   24    HG2  LYS   4           HG3      LYS   4  19.654   8.361  -4.677
   25    HG3  LYS   4           HG2      LYS   4  18.197   7.453  -4.262
   26    HD2  LYS   4           HD3      LYS   4  18.749   8.074  -1.830
   27    HD3  LYS   4           HD2      LYS   4  19.840   9.271  -2.527
   28    HE2  LYS   4           HE3      LYS   4  17.844  10.435  -2.169
   29    HE3  LYS   4           HE2      LYS   4  17.830  10.053  -3.888
   30    HZ1  LYS   4           HZ1      LYS   4  16.400   8.532  -1.772
   31    HZ2  LYS   4           HZ2      LYS   4  16.355   8.191  -3.440
   32    HZ3  LYS   4           HZ3      LYS   4  15.686   9.628  -2.847
   33    H    GLN   5           H        GLN   5  19.219   3.898  -4.576
   34    HA   GLN   5           HA       GLN   5  16.647   4.440  -5.580
   35    HB2  GLN   5           HB3      GLN   5  18.416   3.362  -6.917
   36    HB3  GLN   5           HB2      GLN   5  18.290   1.924  -5.913
   37    HG2  GLN   5           HG3      GLN   5  17.120   1.684  -8.052
   38    HG3  GLN   5           HG2      GLN   5  16.035   1.537  -6.670
   39   HE21  GLN   5          HE21      GLN   5  14.214   2.080  -7.840
   40   HE22  GLN   5          HE22      GLN   5  13.919   3.684  -8.415
   41    H    LEU   6           H        LEU   6  17.829   1.894  -3.408
   42    HA   LEU   6           HA       LEU   6  15.369   0.563  -3.088
   43    HB2  LEU   6           HB3      LEU   6  17.689   0.818  -1.169
   44    HB3  LEU   6           HB2      LEU   6  16.308  -0.221  -0.896
   45    HG   LEU   6           HG       LEU   6  18.245  -0.489  -3.201
   46   HD11  LEU   6          HD11      LEU   6  19.261  -1.044  -1.052
   47   HD12  LEU   6          HD12      LEU   6  19.023  -2.481  -2.045
   48   HD13  LEU   6          HD13      LEU   6  17.928  -2.144  -0.705
   49   HD21  LEU   6          HD21      LEU   6  15.922  -2.198  -2.323
   50   HD22  LEU   6          HD22      LEU   6  17.108  -2.655  -3.544
   51   HD23  LEU   6          HD23      LEU   6  16.047  -1.275  -3.820
   52    H    GLU   7           H        GLU   7  16.757   3.354  -1.486
   53    HA   GLU   7           HA       GLU   7  14.823   3.703   0.516
   54    HB2  GLU   7           HB3      GLU   7  16.902   4.871   0.649
   55    HB3  GLU   7           HB2      GLU   7  16.659   5.614  -0.922
   56    HG2  GLU   7           HG3      GLU   7  14.745   6.869   0.027
   57    HG3  GLU   7           HG2      GLU   7  15.168   6.209   1.627
   58    H    ASP   8           H        ASP   8  15.056   4.951  -2.794
   59    HA   ASP   8           HA       ASP   8  12.748   6.526  -2.814
   60    HB2  ASP   8           HB3      ASP   8  14.351   5.147  -4.922
   61    HB3  ASP   8           HB2      ASP   8  12.766   5.776  -5.361
   62    H    LYS   9           H        LYS   9  13.172   3.118  -3.632
   63    HA   LYS   9           HA       LYS   9  10.503   2.481  -4.215
   64    HB2  LYS   9           HB3      LYS   9  12.173   0.557  -2.626
   65    HB3  LYS   9           HB2      LYS   9  11.002   0.227  -3.893
   66    HG2  LYS   9           HG3      LYS   9  12.532   1.202  -5.560
   67    HG3  LYS   9           HG2      LYS   9  13.736   1.417  -4.291
   68    HD2  LYS   9           HD3      LYS   9  14.220  -0.601  -5.522
   69    HD3  LYS   9           HD2      LYS   9  13.694  -1.026  -3.892
   70    HE2  LYS   9           HE3      LYS   9  11.469  -1.540  -4.722
   71    HE3  LYS   9           HE2      LYS   9  11.938  -1.041  -6.345
   72    HZ1  LYS   9           HZ1      LYS   9  13.473  -2.851  -6.466
   73    HZ2  LYS   9           HZ2      LYS   9  11.967  -3.468  -6.011
   74    HZ3  LYS   9           HZ3      LYS   9  13.189  -3.285  -4.857
   75    H    VAL  10           H        VAL  10  12.176   2.324  -1.097
   76    HA   VAL  10           HA       VAL  10  10.095   1.365   0.505
   77    HB   VAL  10           HB       VAL  10  12.303   3.294   1.266
   78   HG11  VAL  10          HG11      VAL  10  10.538   1.589   3.020
   79   HG12  VAL  10          HG12      VAL  10  10.480   3.346   2.884
   80   HG13  VAL  10          HG13      VAL  10  11.905   2.560   3.565
   81   HG21  VAL  10          HG21      VAL  10  13.405   1.269   2.163
   82   HG22  VAL  10          HG22      VAL  10  13.204   1.227   0.411
   83   HG23  VAL  10          HG23      VAL  10  12.125   0.291   1.445
   84    H    GLU  11           H        GLU  11  11.032   4.553  -0.495
   85    HA   GLU  11           HA       GLU  11   9.112   6.012   1.015
   86    HB2  GLU  11           HB3      GLU  11  11.137   7.062   0.184
   87    HB3  GLU  11           HB2      GLU  11  10.648   6.756  -1.476
   88    HG2  GLU  11           HG3      GLU  11   8.773   8.275  -1.228
   89    HG3  GLU  11           HG2      GLU  11   9.204   8.549   0.461
   90    H    GLU  12           H        GLU  12   9.207   5.072  -2.433
   91    HA   GLU  12           HA       GLU  12   6.766   6.269  -3.150
   92    HB2  GLU  12           HB3      GLU  12   8.484   5.524  -4.750
   93    HB3  GLU  12           HB2      GLU  12   8.125   3.850  -4.350
   94    HG2  GLU  12           HG3      GLU  12   5.853   4.140  -5.216
   95    HG3  GLU  12           HG2      GLU  12   6.241   5.808  -5.641
   96    H    LEU  13           H        LEU  13   7.441   2.838  -2.587
   97    HA   LEU  13           HA       LEU  13   4.905   1.817  -2.636
   98    HB2  LEU  13           HB3      LEU  13   7.228   1.000  -0.904
   99    HB3  LEU  13           HB2      LEU  13   5.765   0.052  -1.080
  100    HG   LEU  13           HG       LEU  13   7.615   0.771  -3.354
  101   HD11  LEU  13          HD11      LEU  13   8.732  -0.720  -1.814
  102   HD12  LEU  13          HD12      LEU  13   8.269  -1.600  -3.273
  103   HD13  LEU  13          HD13      LEU  13   7.329  -1.788  -1.792
  104   HD21  LEU  13          HD21      LEU  13   5.255  -1.098  -3.185
  105   HD22  LEU  13          HD22      LEU  13   6.336  -0.943  -4.569
  106   HD23  LEU  13          HD23      LEU  13   5.330   0.419  -4.081
  107    H    LEU  14           H        LEU  14   6.530   3.215   0.216
  108    HA   LEU  14           HA       LEU  14   4.444   2.705   2.021
  109    HB2  LEU  14           HB3      LEU  14   6.660   3.258   2.811
  110    HB3  LEU  14           HB2      LEU  14   6.578   4.841   2.072
  111    HG   LEU  14           HG       LEU  14   4.749   5.446   3.639
  112   HD11  LEU  14          HD11      LEU  14   4.370   4.017   5.603
  113   HD12  LEU  14          HD12      LEU  14   5.372   2.764   4.869
  114   HD13  LEU  14          HD13      LEU  14   3.857   3.244   4.104
  115   HD21  LEU  14          HD21      LEU  14   7.296   4.480   4.930
  116   HD22  LEU  14          HD22      LEU  14   6.173   5.655   5.615
  117   HD23  LEU  14          HD23      LEU  14   7.056   6.038   4.137
  118    H    SER  15           H        SER  15   5.134   5.537  -0.018
  119    HA   SER  15           HA       SER  15   3.023   7.150   0.868
  120    HB2  SER  15           HB3      SER  15   4.180   7.024  -1.928
  121    HB3  SER  15           HB2      SER  15   3.335   8.389  -1.196
  122    HG   SER  15           HG       SER  15   5.900   7.354  -0.607
  123    H    LYS  16           H        LYS  16   3.162   4.707  -1.703
  124    HA   LYS  16           HA       LYS  16   0.442   5.052  -2.485
  125    HB2  LYS  16           HB3      LYS  16   2.042   4.138  -4.059
  126    HB3  LYS  16           HB2      LYS  16   2.385   2.791  -2.985
  127    HG2  LYS  16           HG3      LYS  16   0.179   1.893  -3.318
  128    HG3  LYS  16           HG2      LYS  16  -0.294   3.306  -4.264
  129    HD2  LYS  16           HD3      LYS  16   1.281   2.739  -5.991
  130    HD3  LYS  16           HD2      LYS  16   1.924   1.415  -5.022
  131    HE2  LYS  16           HE3      LYS  16  -0.946   1.553  -5.920
  132    HE3  LYS  16           HE2      LYS  16   0.318   0.762  -6.856
  133    HZ1  LYS  16           HZ1      LYS  16  -1.037  -0.700  -5.367
  134    HZ2  LYS  16           HZ2      LYS  16  -0.284   0.045  -4.044
  135    HZ3  LYS  16           HZ3      LYS  16   0.641  -0.819  -5.167
  136    H    ASN  17           H        ASN  17   2.127   2.784  -0.354
  137    HA   ASN  17           HA       ASN  17   0.077   1.037   0.286
  138    HB2  ASN  17           HB3      ASN  17   2.496   0.965   1.046
  139    HB3  ASN  17           HB2      ASN  17   2.073   2.148   2.276
  140   HD21  ASN  17          HD21      ASN  17   3.133  -0.471   2.701
  141   HD22  ASN  17          HD22      ASN  17   1.963  -1.356   3.602
  142    H    TYR  18           H        TYR  18   0.900   4.108   1.896
  143    HA   TYR  18           HA       TYR  18  -1.245   4.159   3.676
  144    HB2  TYR  18           HB3      TYR  18   0.940   5.660   3.361
  145    HB3  TYR  18           HB2      TYR  18  -0.227   6.725   2.577
  146    HD1  TYR  18           HD1      TYR  18   0.507   4.908   5.694
  147    HD2  TYR  18           HD2      TYR  18  -1.722   8.027   3.864
  148    HE1  TYR  18           HE1      TYR  18  -0.224   5.662   7.900
  149    HE2  TYR  18           HE2      TYR  18  -2.463   8.799   6.075
  150    HH   TYR  18           HH       TYR  18  -1.059   7.675   8.979
  151    H    HIS  19           H        HIS  19  -1.036   5.045   0.307
  152    HA   HIS  19           HA       HIS  19  -3.340   6.639   0.083
  153    HB2  HIS  19           HB3      HIS  19  -1.431   5.999  -1.654
  154    HB3  HIS  19           HB2      HIS  19  -2.596   4.766  -2.128
  155    HD1  HIS  19           HD1      HIS  19  -5.165   5.981  -2.537
  156    HD2  HIS  19           HD2      HIS  19  -1.706   8.226  -3.111
  157    HE1  HIS  19           HE1      HIS  19  -5.826   7.886  -4.030
  158    HE2  HIS  19           HE2      HIS  19  -3.687   9.120  -4.502
  159    H    LEU  20           H        LEU  20  -2.870   3.149  -0.420
  160    HA   LEU  20           HA       LEU  20  -5.631   2.641  -0.881
  161    HB2  LEU  20           HB3      LEU  20  -3.420   0.718  -0.145
  162    HB3  LEU  20           HB2      LEU  20  -5.059   0.237  -0.497
  163    HG   LEU  20           HG       LEU  20  -3.796  -0.172  -2.448
  164   HD11  LEU  20          HD11      LEU  20  -4.837   1.302  -4.110
  165   HD12  LEU  20          HD12      LEU  20  -5.372   2.357  -2.804
  166   HD13  LEU  20          HD13      LEU  20  -5.973   0.703  -2.906
  167   HD21  LEU  20          HD21      LEU  20  -2.489   1.509  -3.615
  168   HD22  LEU  20          HD22      LEU  20  -1.871   1.222  -1.988
  169   HD23  LEU  20          HD23      LEU  20  -2.825   2.667  -2.327
  170    H    GLU  21           H        GLU  21  -3.590   2.554   1.985
  171    HA   GLU  21           HA       GLU  21  -5.312   1.397   3.814
  172    HB2  GLU  21           HB3      GLU  21  -3.260   3.573   4.045
  173    HB3  GLU  21           HB2      GLU  21  -4.245   3.152   5.436
  174    HG2  GLU  21           HG3      GLU  21  -2.649   1.114   3.917
  175    HG3  GLU  21           HG2      GLU  21  -1.980   2.037   5.258
  176    H    ASN  22           H        ASN  22  -5.226   4.761   2.705
  177    HA   ASN  22           HA       ASN  22  -7.346   5.650   4.365
  178    HB2  ASN  22           HB3      ASN  22  -6.248   6.783   1.787
  179    HB3  ASN  22           HB2      ASN  22  -7.431   7.601   2.797
  180   HD21  ASN  22          HD21      ASN  22  -6.161   6.612   5.276
  181   HD22  ASN  22          HD22      ASN  22  -4.743   7.578   5.472
  182    H    GLU  23           H        GLU  23  -7.230   4.526   0.998
  183    HA   GLU  23           HA       GLU  23  -9.928   4.923   0.363
  184    HB2  GLU  23           HB3      GLU  23  -7.713   3.333  -0.730
  185    HB3  GLU  23           HB2      GLU  23  -9.307   2.666  -1.052
  186    HG2  GLU  23           HG3      GLU  23  -8.636   4.065  -2.876
  187    HG3  GLU  23           HG2      GLU  23  -9.983   4.819  -2.026
  188    H    VAL  24           H        VAL  24  -8.295   2.056   1.684
  189    HA   VAL  24           HA       VAL  24 -10.441   0.326   1.789
  190    HB   VAL  24           HB       VAL  24  -8.125   0.571   3.712
  191   HG11  VAL  24          HG11      VAL  24  -9.948  -0.596   4.822
  192   HG12  VAL  24          HG12      VAL  24  -8.657  -1.723   4.411
  193   HG13  VAL  24          HG13      VAL  24 -10.126  -1.671   3.436
  194   HG21  VAL  24          HG21      VAL  24  -8.658  -1.151   1.305
  195   HG22  VAL  24          HG22      VAL  24  -7.358  -1.459   2.448
  196   HG23  VAL  24          HG23      VAL  24  -7.376   0.040   1.520
  197    H    ALA  25           H        ALA  25  -9.335   2.587   4.291
  198    HA   ALA  25           HA       ALA  25 -11.312   2.069   6.195
  199    HB1  ALA  25           HB1      ALA  25  -9.844   4.653   5.710
  200    HB2  ALA  25           HB2      ALA  25  -9.250   3.293   6.661
  201    HB3  ALA  25           HB3      ALA  25 -10.673   4.185   7.193
  202    H    ARG  26           H        ARG  26 -11.272   4.469   3.569
  203    HA   ARG  26           HA       ARG  26 -13.677   5.746   4.296
  204    HB2  ARG  26           HB3      ARG  26 -12.169   6.893   2.849
  205    HB3  ARG  26           HB2      ARG  26 -12.183   5.580   1.682
  206    HG2  ARG  26           HG3      ARG  26 -14.358   6.106   0.959
  207    HG3  ARG  26           HG2      ARG  26 -14.646   7.161   2.343
  208    HD2  ARG  26           HD2      ARG  26 -14.213   8.365   0.207
  209    HD3  ARG  26           HD1      ARG  26 -13.113   8.787   1.514
  210    HE   ARG  26           HE       ARG  26 -11.527   7.169   0.381
  211   HH11  ARG  26          HH11      ARG  26 -13.957   8.968  -1.384
  212   HH12  ARG  26          HH12      ARG  26 -13.038   9.016  -2.855
  213   HH21  ARG  26          HH21      ARG  26 -10.296   7.251  -1.558
  214   HH22  ARG  26          HH22      ARG  26 -10.969   8.045  -2.955
  215    H    LEU  27           H        LEU  27 -13.005   3.134   1.982
  216    HA   LEU  27           HA       LEU  27 -15.650   2.865   1.060
  217    HB2  LEU  27           HB3      LEU  27 -13.377   0.889   1.152
  218    HB3  LEU  27           HB2      LEU  27 -14.897   0.578   0.331
  219    HG   LEU  27           HG       LEU  27 -13.105   2.897  -0.344
  220   HD11  LEU  27          HD11      LEU  27 -12.388   1.575  -2.276
  221   HD12  LEU  27          HD12      LEU  27 -13.261   0.184  -1.633
  222   HD13  LEU  27          HD13      LEU  27 -11.890   0.854  -0.748
  223   HD21  LEU  27          HD21      LEU  27 -15.411   3.199  -1.015
  224   HD22  LEU  27          HD22      LEU  27 -15.420   1.614  -1.782
  225   HD23  LEU  27          HD23      LEU  27 -14.409   2.902  -2.434
  226    H    LYS  28           H        LYS  28 -14.030   1.549   3.893
  227    HA   LYS  28           HA       LYS  28 -16.008  -0.357   4.564
  228    HB2  LYS  28           HB3      LYS  28 -13.970   1.123   6.234
  229    HB3  LYS  28           HB2      LYS  28 -15.069  -0.061   6.923
  230    HG2  LYS  28           HG3      LYS  28 -14.122  -1.795   5.501
  231    HG3  LYS  28           HG2      LYS  28 -13.050  -0.605   4.755
  232    HD2  LYS  28           HD3      LYS  28 -11.928  -0.219   6.850
  233    HD3  LYS  28           HD2      LYS  28 -13.091  -1.259   7.704
  234    HE2  LYS  28           HE3      LYS  28 -12.299  -3.187   6.426
  235    HE3  LYS  28           HE2      LYS  28 -11.162  -2.159   5.557
  236    HZ1  LYS  28           HZ1      LYS  28 -11.144  -2.663   8.482
  237    HZ2  LYS  28           HZ2      LYS  28 -10.050  -1.685   7.649
  238    HZ3  LYS  28           HZ3      LYS  28 -10.084  -3.347   7.359
  239    H    LYS  29           H        LYS  29 -15.463   3.009   5.554
  240    HA   LYS  29           HA       LYS  29 -17.671   3.355   7.187
  241    HB2  LYS  29           HB3      LYS  29 -15.923   5.014   7.039
  242    HB3  LYS  29           HB2      LYS  29 -16.253   5.280   5.336
  243    HG2  LYS  29           HG3      LYS  29 -18.467   6.203   5.955
  244    HG3  LYS  29           HG2      LYS  29 -18.024   6.035   7.656
  245    HD2  LYS  29           HD3      LYS  29 -16.103   7.509   7.299
  246    HD3  LYS  29           HD2      LYS  29 -16.555   7.685   5.603
  247    HE2  LYS  29           HE3      LYS  29 -18.671   8.696   6.263
  248    HE3  LYS  29           HE2      LYS  29 -18.244   8.501   7.963
  249    HZ1  LYS  29           HZ1      LYS  29 -16.778  10.162   5.991
  250    HZ2  LYS  29           HZ2      LYS  29 -16.363   9.974   7.616
  251    HZ3  LYS  29           HZ3      LYS  29 -17.807  10.743   7.199
  252    H    LEU  30           H        LEU  30 -17.408   3.596   3.667
  253    HA   LEU  30           HA       LEU  30 -19.990   4.630   3.200
  254    HB2  LEU  30           HB3      LEU  30 -18.226   2.991   1.383
  255    HB3  LEU  30           HB2      LEU  30 -19.653   3.870   0.873
  256    HG   LEU  30           HG       LEU  30 -17.106   5.073   1.956
  257   HD11  LEU  30          HD11      LEU  30 -16.877   6.006  -0.276
  258   HD12  LEU  30          HD12      LEU  30 -18.361   5.200  -0.781
  259   HD13  LEU  30          HD13      LEU  30 -16.947   4.246  -0.340
  260   HD21  LEU  30          HD21      LEU  30 -19.670   6.395   1.078
  261   HD22  LEU  30          HD22      LEU  30 -18.157   7.235   1.416
  262   HD23  LEU  30          HD23      LEU  30 -18.996   6.379   2.708
  263    H    VAL  31           H        VAL  31 -18.790   1.283   2.794
  264    HA   VAL  31           HA       VAL  31 -21.437   0.249   2.460
  265    HB   VAL  31           HB       VAL  31 -19.319  -0.687   1.443
  266   HG11  VAL  31          HG11      VAL  31 -18.958  -1.826   4.207
  267   HG12  VAL  31          HG12      VAL  31 -17.894  -0.680   3.390
  268   HG13  VAL  31          HG13      VAL  31 -18.059  -2.324   2.773
  269   HG21  VAL  31          HG21      VAL  31 -21.115  -2.583   2.936
  270   HG22  VAL  31          HG22      VAL  31 -20.070  -3.013   1.581
  271   HG23  VAL  31          HG23      VAL  31 -21.409  -1.890   1.343
  272    H    GLY  32           H        GLY  32 -20.119   1.448   5.157
  273    HA2  GLY  32           HA3      GLY  32 -20.707  -0.758   6.965
  274    HA3  GLY  32           HA2      GLY  32 -19.968   0.774   7.397
  275    H    GLU  33           H        GLU  33 -23.017  -0.009   5.761
  276    HA   GLU  33           HA       GLU  33 -24.449   1.169   8.033
  277    HB2  GLU  33           HB3      GLU  33 -24.893   1.773   5.099
  278    HB3  GLU  33           HB2      GLU  33 -26.082   2.155   6.333
  279    HG2  GLU  33           HG3      GLU  33 -24.477   3.644   7.417
  280    HG3  GLU  33           HG2      GLU  33 -23.269   3.232   6.199
  281    H1   GLY   1           H1       GLY   1  21.377   3.861   6.253
  282    H2   GLY   1           H2       GLY   1  20.754   2.520   7.068
  283    H3   GLY   1           H3       GLY   1  20.131   2.953   5.564
  284    HA2  GLY   1           HA2      GLY   1  22.229   2.441   4.501
  285    HA3  GLY   1           HA3      GLY   1  22.891   2.002   6.070
  286    H    SER   2           H        SER   2  23.312  -0.025   4.848
  287    HA   SER   2           HA       SER   2  22.966  -2.232   4.550
  288    HB2  SER   2           HB3      SER   2  22.125  -2.236   6.831
  289    HB3  SER   2           HB2      SER   2  20.523  -1.767   6.270
  290    HG   SER   2           HG       SER   2  21.216  -4.158   6.661
  291    H    MET   3           H        MET   3  22.621  -2.678   2.489
  292    HA   MET   3           HA       MET   3  20.295  -1.902   1.049
  293    HB2  MET   3           HB3      MET   3  22.434  -3.945   0.427
  294    HB3  MET   3           HB2      MET   3  21.147  -3.509  -0.687
  295    HG2  MET   3           HG3      MET   3  21.952  -1.183  -0.664
  296    HG3  MET   3           HG2      MET   3  23.277  -1.676   0.387
  297    HE1  MET   3           HE1      MET   3  23.761  -0.138  -2.380
  298    HE2  MET   3           HE2      MET   3  25.144  -1.055  -2.978
  299    HE3  MET   3           HE3      MET   3  25.031  -0.648  -1.266
  300    H    LYS   4           H        LYS   4  21.133  -4.606   3.038
  301    HA   LYS   4           HA       LYS   4  19.055  -6.334   2.147
  302    HB2  LYS   4           HB3      LYS   4  21.034  -7.142   3.407
  303    HB3  LYS   4           HB2      LYS   4  20.437  -6.308   4.835
  304    HG2  LYS   4           HG3      LYS   4  19.827  -8.586   5.056
  305    HG3  LYS   4           HG2      LYS   4  18.355  -7.696   4.660
  306    HD2  LYS   4           HD3      LYS   4  18.877  -8.321   2.222
  307    HD3  LYS   4           HD2      LYS   4  19.991  -9.503   2.908
  308    HE2  LYS   4           HE3      LYS   4  18.004 -10.692   2.583
  309    HE3  LYS   4           HE2      LYS   4  18.005 -10.301   4.301
  310    HZ1  LYS   4           HZ1      LYS   4  16.529  -8.811   2.193
  311    HZ2  LYS   4           HZ2      LYS   4  16.505  -8.456   3.854
  312    HZ3  LYS   4           HZ3      LYS   4  15.844  -9.907   3.287
  313    H    GLN   5           H        GLN   5  19.341  -4.122   4.942
  314    HA   GLN   5           HA       GLN   5  16.789  -4.691   5.982
  315    HB2  GLN   5           HB3      GLN   5  18.562  -3.589   7.291
  316    HB3  GLN   5           HB2      GLN   5  18.403  -2.154   6.287
  317    HG2  GLN   5           HG3      GLN   5  17.257  -1.934   8.445
  318    HG3  GLN   5           HG2      GLN   5  16.155  -1.794   7.075
  319   HE21  GLN   5          HE21      GLN   5  14.360  -2.351   8.272
  320   HE22  GLN   5          HE22      GLN   5  14.083  -3.957   8.852
  321    H    LEU   6           H        LEU   6  17.907  -2.140   3.784
  322    HA   LEU   6           HA       LEU   6  15.428  -0.840   3.501
  323    HB2  LEU   6           HB3      LEU   6  17.721  -1.078   1.546
  324    HB3  LEU   6           HB2      LEU   6  16.323  -0.055   1.288
  325    HG   LEU   6           HG       LEU   6  18.289   0.244   3.566
  326   HD11  LEU   6          HD11      LEU   6  19.268   0.804   1.401
  327   HD12  LEU   6          HD12      LEU   6  19.025   2.241   2.393
  328   HD13  LEU   6          HD13      LEU   6  17.915   1.887   1.072
  329   HD21  LEU   6          HD21      LEU   6  15.930   1.916   2.711
  330   HD22  LEU   6          HD22      LEU   6  17.127   2.397   3.911
  331   HD23  LEU   6          HD23      LEU   6  16.091   1.005   4.213
  332    H    GLU   7           H        GLU   7  16.822  -3.621   1.891
  333    HA   GLU   7           HA       GLU   7  14.863  -4.003  -0.083
  334    HB2  GLU   7           HB3      GLU   7  16.959  -5.143  -0.241
  335    HB3  GLU   7           HB2      GLU   7  16.746  -5.883   1.337
  336    HG2  GLU   7           HG3      GLU   7  14.847  -7.177   0.421
  337    HG3  GLU   7           HG2      GLU   7  15.224  -6.509  -1.185
  338    H    ASP   8           H        ASP   8  15.163  -5.238   3.227
  339    HA   ASP   8           HA       ASP   8  12.881  -6.846   3.286
  340    HB2  ASP   8           HB3      ASP   8  14.496  -5.435   5.360
  341    HB3  ASP   8           HB2      ASP   8  12.924  -6.073   5.829
  342    H    LYS   9           H        LYS   9  13.268  -3.427   4.086
  343    HA   LYS   9           HA       LYS   9  10.599  -2.819   4.697
  344    HB2  LYS   9           HB3      LYS   9  12.226  -0.879   3.081
  345    HB3  LYS   9           HB2      LYS   9  11.067  -0.561   4.363
  346    HG2  LYS   9           HG3      LYS   9  12.633  -1.510   6.012
  347    HG3  LYS   9           HG2      LYS   9  13.822  -1.717   4.728
  348    HD2  LYS   9           HD3      LYS   9  14.300   0.313   5.942
  349    HD3  LYS   9           HD2      LYS   9  13.741   0.725   4.320
  350    HE2  LYS   9           HE3      LYS   9  11.527   1.219   5.183
  351    HE3  LYS   9           HE2      LYS   9  12.024   0.725   6.799
  352    HZ1  LYS   9           HZ1      LYS   9  13.544   2.549   6.900
  353    HZ2  LYS   9           HZ2      LYS   9  12.027   3.149   6.465
  354    HZ3  LYS   9           HZ3      LYS   9  13.232   2.979   5.295
  355    H    VAL  10           H        VAL  10  12.231  -2.649   1.556
  356    HA   VAL  10           HA       VAL  10  10.116  -1.722  -0.020
  357    HB   VAL  10           HB       VAL  10  12.335  -3.630  -0.799
  358   HG11  VAL  10          HG11      VAL  10  10.527  -1.956  -2.538
  359   HG12  VAL  10          HG12      VAL  10  10.492  -3.714  -2.396
  360   HG13  VAL  10          HG13      VAL  10  11.898  -2.912  -3.097
  361   HG21  VAL  10          HG21      VAL  10  13.396  -1.596  -1.723
  362   HG22  VAL  10          HG22      VAL  10  13.218  -1.549   0.030
  363   HG23  VAL  10          HG23      VAL  10  12.112  -0.631  -0.991
  364    H    GLU  11           H        GLU  11  11.110  -4.897   0.969
  365    HA   GLU  11           HA       GLU  11   9.179  -6.383  -0.498
  366    HB2  GLU  11           HB3      GLU  11  11.232  -7.399   0.307
  367    HB3  GLU  11           HB2      GLU  11  10.762  -7.093   1.971
  368    HG2  GLU  11           HG3      GLU  11   8.898  -8.638   1.746
  369    HG3  GLU  11           HG2      GLU  11   9.331  -8.926   0.061
  370    H    GLU  12           H        GLU  12   9.312  -5.419   2.942
  371    HA   GLU  12           HA       GLU  12   6.900  -6.652   3.699
  372    HB2  GLU  12           HB3      GLU  12   8.631  -5.881   5.273
  373    HB3  GLU  12           HB2      GLU  12   8.245  -4.214   4.873
  374    HG2  GLU  12           HG3      GLU  12   5.986  -4.537   5.762
  375    HG3  GLU  12           HG2      GLU  12   6.409  -6.192   6.199
  376    H    LEU  13           H        LEU  13   7.521  -3.214   3.117
  377    HA   LEU  13           HA       LEU  13   4.972  -2.225   3.199
  378    HB2  LEU  13           HB3      LEU  13   7.261  -1.386   1.432
  379    HB3  LEU  13           HB2      LEU  13   5.787  -0.455   1.625
  380    HG   LEU  13           HG       LEU  13   7.679  -1.145   3.872
  381   HD11  LEU  13          HD11      LEU  13   8.754   0.351   2.312
  382   HD12  LEU  13          HD12      LEU  13   8.304   1.233   3.771
  383   HD13  LEU  13          HD13      LEU  13   7.340   1.404   2.304
  384   HD21  LEU  13          HD21      LEU  13   5.288   0.690   3.741
  385   HD22  LEU  13          HD22      LEU  13   6.395   0.555   5.106
  386   HD23  LEU  13          HD23      LEU  13   5.402  -0.824   4.638
  387    H    LEU  14           H        LEU  14   6.572  -3.614   0.328
  388    HA   LEU  14           HA       LEU  14   4.453  -3.139  -1.448
  389    HB2  LEU  14           HB3      LEU  14   6.666  -3.667  -2.267
  390    HB3  LEU  14           HB2      LEU  14   6.614  -5.249  -1.522
  391    HG   LEU  14           HG       LEU  14   4.771  -5.880  -3.061
  392   HD11  LEU  14          HD11      LEU  14   4.347  -4.462  -5.025
  393   HD12  LEU  14          HD12      LEU  14   5.345  -3.195  -4.309
  394   HD13  LEU  14          HD13      LEU  14   3.846  -3.690  -3.522
  395   HD21  LEU  14          HD21      LEU  14   7.291  -4.896  -4.393
  396   HD22  LEU  14          HD22      LEU  14   6.170  -6.083  -5.057
  397   HD23  LEU  14          HD23      LEU  14   7.077  -6.452  -3.592
  398    H    SER  15           H        SER  15   5.208  -5.956   0.594
  399    HA   SER  15           HA       SER  15   3.107  -7.598  -0.257
  400    HB2  SER  15           HB3      SER  15   4.301  -7.442   2.523
  401    HB3  SER  15           HB2      SER  15   3.451  -8.818   1.820
  402    HG   SER  15           HG       SER  15   5.988  -7.760   1.121
  403    H    LYS  16           H        LYS  16   3.253  -5.140   2.297
  404    HA   LYS  16           HA       LYS  16   0.547  -5.511   3.118
  405    HB2  LYS  16           HB3      LYS  16   2.159  -4.572   4.665
  406    HB3  LYS  16           HB2      LYS  16   2.470  -3.225   3.582
  407    HG2  LYS  16           HG3      LYS  16   0.257  -2.352   3.944
  408    HG3  LYS  16           HG2      LYS  16  -0.183  -3.766   4.905
  409    HD2  LYS  16           HD3      LYS  16   1.419  -3.170   6.604
  410    HD3  LYS  16           HD2      LYS  16   2.020  -1.836   5.618
  411    HE2  LYS  16           HE3      LYS  16  -0.828  -2.025   6.571
  412    HE3  LYS  16           HE2      LYS  16   0.437  -1.204   7.481
  413    HZ1  LYS  16           HZ1      LYS  16  -0.977   0.222   6.008
  414    HZ2  LYS  16           HZ2      LYS  16  -0.232  -0.512   4.676
  415    HZ3  LYS  16           HZ3      LYS  16   0.692   0.375   5.778
  416    H    ASN  17           H        ASN  17   2.175  -3.233   0.959
  417    HA   ASN  17           HA       ASN  17   0.096  -1.515   0.341
  418    HB2  ASN  17           HB3      ASN  17   2.501  -1.416  -0.452
  419    HB3  ASN  17           HB2      ASN  17   2.078  -2.610  -1.670
  420   HD21  ASN  17          HD21      ASN  17   3.100   0.020  -2.124
  421   HD22  ASN  17          HD22      ASN  17   1.906   0.885  -3.014
  422    H    TYR  18           H        TYR  18   0.934  -4.584  -1.265
  423    HA   TYR  18           HA       TYR  18  -1.234  -4.666  -3.018
  424    HB2  TYR  18           HB3      TYR  18   0.974  -6.141  -2.727
  425    HB3  TYR  18           HB2      TYR  18  -0.169  -7.216  -1.925
  426    HD1  TYR  18           HD1      TYR  18   0.502  -5.410  -5.064
  427    HD2  TYR  18           HD2      TYR  18  -1.667  -8.540  -3.182
  428    HE1  TYR  18           HE1      TYR  18  -0.251  -6.188  -7.252
  429    HE2  TYR  18           HE2      TYR  18  -2.430  -9.334  -5.375
  430    HH   TYR  18           HH       TYR  18  -1.078  -8.206  -8.308
  431    H    HIS  19           H        HIS  19  -0.968  -5.541   0.353
  432    HA   HIS  19           HA       HIS  19  -3.250  -7.161   0.612
  433    HB2  HIS  19           HB3      HIS  19  -1.325  -6.488   2.317
  434    HB3  HIS  19           HB2      HIS  19  -2.495  -5.266   2.802
  435    HD1  HIS  19           HD1      HIS  19  -5.041  -6.508   3.264
  436    HD2  HIS  19           HD2      HIS  19  -1.547  -8.707   3.793
  437    HE1  HIS  19           HE1      HIS  19  -5.655  -8.413   4.780
  438    HE2  HIS  19           HE2      HIS  19  -3.497  -9.633   5.208
  439    H    LEU  20           H        LEU  20  -2.815  -3.660   1.095
  440    HA   LEU  20           HA       LEU  20  -5.575  -3.184   1.588
  441    HB2  LEU  20           HB3      LEU  20  -3.396  -1.239   0.817
  442    HB3  LEU  20           HB2      LEU  20  -5.037  -0.776   1.188
  443    HG   LEU  20           HG       LEU  20  -3.756  -0.345   3.121
  444   HD11  LEU  20          HD11      LEU  20  -4.751  -1.826   4.803
  445   HD12  LEU  20          HD12      LEU  20  -5.292  -2.894   3.509
  446   HD13  LEU  20          HD13      LEU  20  -5.913  -1.247   3.614
  447   HD21  LEU  20          HD21      LEU  20  -2.413  -1.999   4.277
  448   HD22  LEU  20          HD22      LEU  20  -1.818  -1.715   2.642
  449   HD23  LEU  20          HD23      LEU  20  -2.749  -3.169   3.001
  450    H    GLU  21           H        GLU  21  -3.575  -3.086  -1.303
  451    HA   GLU  21           HA       GLU  21  -5.341  -1.959  -3.114
  452    HB2  GLU  21           HB3      GLU  21  -3.261  -4.106  -3.371
  453    HB3  GLU  21           HB2      GLU  21  -4.272  -3.699  -4.749
  454    HG2  GLU  21           HG3      GLU  21  -2.680  -1.639  -3.252
  455    HG3  GLU  21           HG2      GLU  21  -2.020  -2.550  -4.605
  456    H    ASN  22           H        ASN  22  -5.195  -5.315  -1.989
  457    HA   ASN  22           HA       ASN  22  -7.327  -6.235  -3.619
  458    HB2  ASN  22           HB3      ASN  22  -6.176  -7.353  -1.059
  459    HB3  ASN  22           HB2      ASN  22  -7.370  -8.185  -2.046
  460   HD21  ASN  22          HD21      ASN  22  -6.157  -7.187  -4.550
  461   HD22  ASN  22          HD22      ASN  22  -4.730  -8.134  -4.771
  462    H    GLU  23           H        GLU  23  -7.182  -5.097  -0.259
  463    HA   GLU  23           HA       GLU  23  -9.866  -5.525   0.412
  464    HB2  GLU  23           HB3      GLU  23  -7.654  -3.905   1.472
  465    HB3  GLU  23           HB2      GLU  23  -9.252  -3.260   1.818
  466    HG2  GLU  23           HG3      GLU  23  -8.528  -4.649   3.632
  467    HG3  GLU  23           HG2      GLU  23  -9.883  -5.416   2.810
  468    H    VAL  24           H        VAL  24  -8.284  -2.641  -0.931
  469    HA   VAL  24           HA       VAL  24 -10.451  -0.939  -1.021
  470    HB   VAL  24           HB       VAL  24  -8.156  -1.166  -2.972
  471   HG11  VAL  24          HG11      VAL  24 -10.007  -0.027  -4.064
  472   HG12  VAL  24          HG12      VAL  24  -8.725   1.118  -3.673
  473   HG13  VAL  24          HG13      VAL  24 -10.180   1.053  -2.680
  474   HG21  VAL  24          HG21      VAL  24  -8.680   0.559  -0.565
  475   HG22  VAL  24          HG22      VAL  24  -7.398   0.878  -1.726
  476   HG23  VAL  24          HG23      VAL  24  -7.386  -0.617  -0.791
  477    H    ALA  25           H        ALA  25  -9.355  -3.196  -3.531
  478    HA   ALA  25           HA       ALA  25 -11.367  -2.708  -5.406
  479    HB1  ALA  25           HB1      ALA  25  -9.861  -5.269  -4.934
  480    HB2  ALA  25           HB2      ALA  25  -9.299  -3.910  -5.905
  481    HB3  ALA  25           HB3      ALA  25 -10.723  -4.822  -6.404
  482    H    ARG  26           H        ARG  26 -11.258  -5.087  -2.761
  483    HA   ARG  26           HA       ARG  26 -13.652  -6.405  -3.456
  484    HB2  ARG  26           HB3      ARG  26 -12.113  -7.531  -2.028
  485    HB3  ARG  26           HB2      ARG  26 -12.126  -6.215  -0.863
  486    HG2  ARG  26           HG3      ARG  26 -14.287  -6.768  -0.110
  487    HG3  ARG  26           HG2      ARG  26 -14.579  -7.830  -1.488
  488    HD2  ARG  26           HD2      ARG  26 -14.103  -9.023   0.644
  489    HD3  ARG  26           HD1      ARG  26 -13.014  -9.435  -0.674
  490    HE   ARG  26           HE       ARG  26 -11.442  -7.784   0.437
  491   HH11  ARG  26          HH11      ARG  26 -13.824  -9.610   2.240
  492   HH12  ARG  26          HH12      ARG  26 -12.885  -9.639   3.695
  493   HH21  ARG  26          HH21      ARG  26 -10.186  -7.842   2.356
  494   HH22  ARG  26          HH22      ARG  26 -10.826  -8.642   3.762
  495    H    LEU  27           H        LEU  27 -12.984  -3.782  -1.157
  496    HA   LEU  27           HA       LEU  27 -15.620  -3.537  -0.203
  497    HB2  LEU  27           HB3      LEU  27 -13.373  -1.535  -0.339
  498    HB3  LEU  27           HB2      LEU  27 -14.884  -1.238   0.501
  499    HG   LEU  27           HG       LEU  27 -13.058  -3.533   1.161
  500   HD11  LEU  27          HD11      LEU  27 -12.329  -2.197   3.077
  501   HD12  LEU  27          HD12      LEU  27 -13.227  -0.819   2.440
  502   HD13  LEU  27          HD13      LEU  27 -11.860  -1.476   1.540
  503   HD21  LEU  27          HD21      LEU  27 -15.349  -3.860   1.865
  504   HD22  LEU  27          HD22      LEU  27 -15.368  -2.270   2.624
  505   HD23  LEU  27          HD23      LEU  27 -14.331  -3.542   3.267
  506    H    LYS  28           H        LYS  28 -14.057  -2.216  -3.065
  507    HA   LYS  28           HA       LYS  28 -16.063  -0.334  -3.716
  508    HB2  LYS  28           HB3      LYS  28 -14.034  -1.801  -5.407
  509    HB3  LYS  28           HB2      LYS  28 -15.155  -0.635  -6.087
  510    HG2  LYS  28           HG3      LYS  28 -14.213   1.113  -4.689
  511    HG3  LYS  28           HG2      LYS  28 -13.114  -0.056  -3.951
  512    HD2  LYS  28           HD3      LYS  28 -12.017  -0.435  -6.059
  513    HD3  LYS  28           HD2      LYS  28 -13.204   0.584  -6.902
  514    HE2  LYS  28           HE3      LYS  28 -12.421   2.527  -5.644
  515    HE3  LYS  28           HE2      LYS  28 -11.258   1.520  -4.786
  516    HZ1  LYS  28           HZ1      LYS  28 -11.289   2.008  -7.714
  517    HZ2  LYS  28           HZ2      LYS  28 -10.172   1.047  -6.891
  518    HZ3  LYS  28           HZ3      LYS  28 -10.219   2.713  -6.609
  519    H    LYS  29           H        LYS  29 -15.492  -3.682  -4.723
  520    HA   LYS  29           HA       LYS  29 -17.728  -4.075  -6.306
  521    HB2  LYS  29           HB3      LYS  29 -15.950  -5.708  -6.182
  522    HB3  LYS  29           HB2      LYS  29 -16.249  -5.972  -4.472
  523    HG2  LYS  29           HG3      LYS  29 -18.461  -6.924  -5.053
  524    HG3  LYS  29           HG2      LYS  29 -18.044  -6.765  -6.761
  525    HD2  LYS  29           HD3      LYS  29 -16.099  -8.212  -6.417
  526    HD3  LYS  29           HD2      LYS  29 -16.527  -8.378  -4.714
  527    HE2  LYS  29           HE3      LYS  29 -18.636  -9.423  -5.338
  528    HE3  LYS  29           HE2      LYS  29 -18.239  -9.228  -7.044
  529    HZ1  LYS  29           HZ1      LYS  29 -16.720 -10.870  -5.094
  530    HZ2  LYS  29           HZ2      LYS  29 -16.338 -10.679  -6.728
  531    HZ3  LYS  29           HZ3      LYS  29 -17.767 -11.463  -6.282
  532    H    LEU  30           H        LEU  30 -17.401  -4.290  -2.787
  533    HA   LEU  30           HA       LEU  30 -19.966  -5.362  -2.282
  534    HB2  LEU  30           HB3      LEU  30 -18.194  -3.700  -0.491
  535    HB3  LEU  30           HB2      LEU  30 -19.606  -4.594   0.040
  536    HG   LEU  30           HG       LEU  30 -17.060  -5.771  -1.075
  537   HD11  LEU  30          HD11      LEU  30 -16.783  -6.688   1.157
  538   HD12  LEU  30          HD12      LEU  30 -18.271  -5.901   1.681
  539   HD13  LEU  30          HD13      LEU  30 -16.878  -4.929   1.214
  540   HD21  LEU  30          HD21      LEU  30 -19.595  -7.123  -0.154
  541   HD22  LEU  30          HD22      LEU  30 -18.076  -7.945  -0.511
  542   HD23  LEU  30          HD23      LEU  30 -18.944  -7.103  -1.794
  543    H    VAL  31           H        VAL  31 -18.794  -1.995  -1.911
  544    HA   VAL  31           HA       VAL  31 -21.454  -1.000  -1.537
  545    HB   VAL  31           HB       VAL  31 -19.335  -0.031  -0.555
  546   HG11  VAL  31          HG11      VAL  31 -19.029   1.105  -3.327
  547   HG12  VAL  31          HG12      VAL  31 -17.940  -0.026  -2.524
  548   HG13  VAL  31          HG13      VAL  31 -18.117   1.618  -1.907
  549   HG21  VAL  31          HG21      VAL  31 -21.179   1.836  -2.026
  550   HG22  VAL  31          HG22      VAL  31 -20.121   2.285  -0.690
  551   HG23  VAL  31          HG23      VAL  31 -21.441   1.145  -0.426
  552    H    GLY  32           H        GLY  32 -20.156  -2.194  -4.251
  553    HA2  GLY  32           HA3      GLY  32 -20.792  -0.003  -6.057
  554    HA3  GLY  32           HA2      GLY  32 -20.043  -1.529  -6.492
  555    H    GLU  33           H        GLU  33 -23.076  -0.783  -4.813
  556    HA   GLU  33           HA       GLU  33 -24.534  -1.974  -7.061
  557    HB2  GLU  33           HB3      GLU  33 -24.927  -2.571  -4.119
  558    HB3  GLU  33           HB2      GLU  33 -26.124  -2.979  -5.338
  559    HG2  GLU  33           HG3      GLU  33 -24.512  -4.446  -6.434
  560    HG3  GLU  33           HG2      GLU  33 -23.296  -4.014  -5.231
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  27.201   1.389  -2.563
    2    H2   GLY   1           H2       GLY   1  27.218   0.847  -4.162
    3    H3   GLY   1           H3       GLY   1  27.834  -0.135  -2.934
    4    HA2  GLY   1           HA2      GLY   1  25.673  -0.917  -3.622
    5    HA3  GLY   1           HA3      GLY   1  25.648  -0.355  -1.959
    6    H    SER   2           H        SER   2  23.709  -0.489  -4.399
    7    HA   SER   2           HA       SER   2  22.936   2.263  -4.738
    8    HB2  SER   2           HB3      SER   2  21.446  -0.240  -5.558
    9    HB3  SER   2           HB2      SER   2  21.218   1.389  -6.197
   10    HG   SER   2           HG       SER   2  22.583  -0.147  -7.444
   11    H    MET   3           H        MET   3  22.743   2.467  -2.293
   12    HA   MET   3           HA       MET   3  20.499   1.247  -1.012
   13    HB2  MET   3           HB3      MET   3  22.260   3.559  -0.200
   14    HB3  MET   3           HB2      MET   3  20.952   2.947   0.798
   15    HG2  MET   3           HG3      MET   3  22.054   0.741   0.826
   16    HG3  MET   3           HG2      MET   3  23.395   1.430  -0.087
   17    HE1  MET   3           HE1      MET   3  22.257   2.727   4.198
   18    HE2  MET   3           HE2      MET   3  21.379   1.513   3.268
   19    HE3  MET   3           HE3      MET   3  21.323   3.207   2.783
   20    H    LYS   4           H        LYS   4  21.137   4.451  -2.397
   21    HA   LYS   4           HA       LYS   4  18.668   5.575  -1.647
   22    HB2  LYS   4           HB3      LYS   4  20.504   6.295  -3.928
   23    HB3  LYS   4           HB2      LYS   4  19.112   7.252  -3.441
   24    HG2  LYS   4           HG3      LYS   4  20.152   7.440  -1.169
   25    HG3  LYS   4           HG2      LYS   4  21.596   6.690  -1.846
   26    HD2  LYS   4           HD3      LYS   4  22.166   8.869  -2.154
   27    HD3  LYS   4           HD2      LYS   4  21.277   8.611  -3.653
   28    HE2  LYS   4           HE3      LYS   4  20.195   9.849  -1.122
   29    HE3  LYS   4           HE2      LYS   4  20.611  10.705  -2.602
   30    HZ1  LYS   4           HZ1      LYS   4  18.877   9.239  -3.695
   31    HZ2  LYS   4           HZ2      LYS   4  18.310  10.445  -2.662
   32    HZ3  LYS   4           HZ3      LYS   4  18.360   8.841  -2.132
   33    H    GLN   5           H        GLN   5  19.583   3.555  -4.354
   34    HA   GLN   5           HA       GLN   5  17.307   3.859  -5.950
   35    HB2  GLN   5           HB3      GLN   5  19.239   2.622  -6.740
   36    HB3  GLN   5           HB2      GLN   5  19.032   1.421  -5.471
   37    HG2  GLN   5           HG3      GLN   5  16.879   0.775  -6.462
   38    HG3  GLN   5           HG2      GLN   5  17.143   1.943  -7.753
   39   HE21  GLN   5          HE21      GLN   5  16.813  -0.964  -7.834
   40   HE22  GLN   5          HE22      GLN   5  18.212  -1.569  -8.648
   41    H    LEU   6           H        LEU   6  17.961   1.613  -3.278
   42    HA   LEU   6           HA       LEU   6  15.332   0.488  -3.294
   43    HB2  LEU   6           HB3      LEU   6  17.442   0.474  -1.128
   44    HB3  LEU   6           HB2      LEU   6  15.956  -0.451  -1.079
   45    HG   LEU   6           HG       LEU   6  18.159  -0.808  -3.117
   46   HD11  LEU   6          HD11      LEU   6  18.814  -1.559  -0.895
   47   HD12  LEU   6          HD12      LEU   6  18.564  -2.926  -1.980
   48   HD13  LEU   6          HD13      LEU   6  17.340  -2.520  -0.777
   49   HD21  LEU   6          HD21      LEU   6  16.896  -2.822  -3.758
   50   HD22  LEU   6          HD22      LEU   6  15.994  -1.339  -4.067
   51   HD23  LEU   6          HD23      LEU   6  15.599  -2.336  -2.667
   52    H    GLU   7           H        GLU   7  16.863   3.189  -1.748
   53    HA   GLU   7           HA       GLU   7  14.994   3.804   0.222
   54    HB2  GLU   7           HB3      GLU   7  17.150   4.880   0.134
   55    HB3  GLU   7           HB2      GLU   7  16.801   5.545  -1.452
   56    HG2  GLU   7           HG3      GLU   7  15.030   6.927  -0.449
   57    HG3  GLU   7           HG2      GLU   7  15.515   6.326   1.156
   58    H    ASP   8           H        ASP   8  15.121   4.727  -3.210
   59    HA   ASP   8           HA       ASP   8  12.828   6.347  -3.248
   60    HB2  ASP   8           HB3      ASP   8  14.191   4.704  -5.364
   61    HB3  ASP   8           HB2      ASP   8  12.683   5.540  -5.712
   62    H    LYS   9           H        LYS   9  13.206   2.892  -3.852
   63    HA   LYS   9           HA       LYS   9  10.561   2.180  -4.351
   64    HB2  LYS   9           HB3      LYS   9  12.261   0.446  -2.568
   65    HB3  LYS   9           HB2      LYS   9  11.073  -0.032  -3.770
   66    HG2  LYS   9           HG3      LYS   9  13.727   1.230  -4.420
   67    HG3  LYS   9           HG2      LYS   9  13.361  -0.495  -4.514
   68    HD2  LYS   9           HD3      LYS   9  11.682  -0.080  -6.208
   69    HD3  LYS   9           HD2      LYS   9  11.923   1.660  -6.060
   70    HE2  LYS   9           HE3      LYS   9  14.211   1.421  -6.858
   71    HE3  LYS   9           HE2      LYS   9  13.999  -0.323  -6.970
   72    HZ1  LYS   9           HZ1      LYS   9  13.743   0.814  -9.115
   73    HZ2  LYS   9           HZ2      LYS   9  12.420   1.669  -8.500
   74    HZ3  LYS   9           HZ3      LYS   9  12.339  -0.011  -8.657
   75    H    VAL  10           H        VAL  10  12.180   2.388  -1.217
   76    HA   VAL  10           HA       VAL  10  10.050   1.566   0.420
   77    HB   VAL  10           HB       VAL  10  12.260   3.519   1.103
   78   HG11  VAL  10          HG11      VAL  10  10.473   1.864   2.885
   79   HG12  VAL  10          HG12      VAL  10  10.438   3.618   2.709
   80   HG13  VAL  10          HG13      VAL  10  11.844   2.832   3.429
   81   HG21  VAL  10          HG21      VAL  10  12.122   0.522   1.396
   82   HG22  VAL  10          HG22      VAL  10  13.388   1.547   2.069
   83   HG23  VAL  10          HG23      VAL  10  13.187   1.428   0.321
   84    H    GLU  11           H        GLU  11  11.026   4.591  -0.933
   85    HA   GLU  11           HA       GLU  11   9.153   6.252   0.442
   86    HB2  GLU  11           HB3      GLU  11  11.297   7.031  -0.594
   87    HB3  GLU  11           HB2      GLU  11  10.568   6.797  -2.175
   88    HG2  GLU  11           HG3      GLU  11  10.461   9.115  -1.597
   89    HG3  GLU  11           HG2      GLU  11   8.831   8.445  -1.577
   90    H    GLU  12           H        GLU  12   9.250   5.017  -2.938
   91    HA   GLU  12           HA       GLU  12   6.822   6.111  -3.794
   92    HB2  GLU  12           HB3      GLU  12   8.091   3.493  -4.615
   93    HB3  GLU  12           HB2      GLU  12   6.808   4.312  -5.493
   94    HG2  GLU  12           HG3      GLU  12   8.296   6.208  -5.895
   95    HG3  GLU  12           HG2      GLU  12   9.583   5.377  -5.022
   96    H    LEU  13           H        LEU  13   7.376   2.774  -2.774
   97    HA   LEU  13           HA       LEU  13   4.809   1.850  -2.605
   98    HB2  LEU  13           HB3      LEU  13   7.106   1.199  -0.763
   99    HB3  LEU  13           HB2      LEU  13   5.637   0.254  -0.906
  100    HG   LEU  13           HG       LEU  13   7.597   0.713  -3.154
  101   HD11  LEU  13          HD11      LEU  13   7.202  -1.682  -1.367
  102   HD12  LEU  13          HD12      LEU  13   8.608  -0.616  -1.393
  103   HD13  LEU  13          HD13      LEU  13   8.238  -1.624  -2.793
  104   HD21  LEU  13          HD21      LEU  13   5.329   0.307  -3.930
  105   HD22  LEU  13          HD22      LEU  13   5.218  -1.124  -2.905
  106   HD23  LEU  13          HD23      LEU  13   6.353  -1.091  -4.255
  107    H    LEU  14           H        LEU  14   6.548   3.674  -0.143
  108    HA   LEU  14           HA       LEU  14   4.827   3.489   2.007
  109    HB2  LEU  14           HB3      LEU  14   7.087   5.022   1.492
  110    HB3  LEU  14           HB2      LEU  14   5.821   6.223   1.632
  111    HG   LEU  14           HG       LEU  14   6.898   5.957   3.775
  112   HD11  LEU  14          HD11      LEU  14   4.490   6.319   3.854
  113   HD12  LEU  14          HD12      LEU  14   5.032   5.320   5.200
  114   HD13  LEU  14          HD13      LEU  14   4.218   4.578   3.824
  115   HD21  LEU  14          HD21      LEU  14   6.250   3.027   3.550
  116   HD22  LEU  14          HD22      LEU  14   6.986   3.828   4.939
  117   HD23  LEU  14          HD23      LEU  14   7.850   3.757   3.400
  118    H    SER  15           H        SER  15   4.825   6.034  -0.489
  119    HA   SER  15           HA       SER  15   2.597   7.442   0.349
  120    HB2  SER  15           HB3      SER  15   4.205   8.122  -1.453
  121    HB3  SER  15           HB2      SER  15   3.406   6.983  -2.534
  122    HG   SER  15           HG       SER  15   2.110   9.137  -1.205
  123    H    LYS  16           H        LYS  16   2.738   4.715  -1.916
  124    HA   LYS  16           HA       LYS  16  -0.068   4.644  -2.384
  125    HB2  LYS  16           HB3      LYS  16   1.776   3.778  -3.893
  126    HB3  LYS  16           HB2      LYS  16   1.957   2.428  -2.792
  127    HG2  LYS  16           HG3      LYS  16  -0.661   2.991  -4.163
  128    HG3  LYS  16           HG2      LYS  16   0.621   2.070  -4.938
  129    HD2  LYS  16           HD3      LYS  16   0.605   0.575  -2.900
  130    HD3  LYS  16           HD2      LYS  16  -0.883   1.392  -2.427
  131    HE2  LYS  16           HE3      LYS  16  -1.423  -0.643  -3.598
  132    HE3  LYS  16           HE2      LYS  16  -1.887   0.741  -4.586
  133    HZ1  LYS  16           HZ1      LYS  16   0.147   0.454  -5.868
  134    HZ2  LYS  16           HZ2      LYS  16  -0.796  -0.953  -5.909
  135    HZ3  LYS  16           HZ3      LYS  16   0.582  -0.881  -4.921
  136    H    ASN  17           H        ASN  17   2.131   2.904  -0.263
  137    HA   ASN  17           HA       ASN  17   0.519   0.980   0.899
  138    HB2  ASN  17           HB3      ASN  17   2.982   1.407   1.301
  139    HB3  ASN  17           HB2      ASN  17   2.508   2.736   2.344
  140   HD21  ASN  17          HD21      ASN  17   2.855  -0.694   2.082
  141   HD22  ASN  17          HD22      ASN  17   2.460  -1.045   3.727
  142    H    TYR  18           H        TYR  18   0.976   4.347   1.867
  143    HA   TYR  18           HA       TYR  18  -0.822   4.249   4.059
  144    HB2  TYR  18           HB3      TYR  18   0.827   5.820   4.345
  145    HB3  TYR  18           HB2      TYR  18   0.849   6.267   2.647
  146    HD1  TYR  18           HD1      TYR  18  -0.521   8.017   1.814
  147    HD2  TYR  18           HD2      TYR  18  -0.821   6.816   5.879
  148    HE1  TYR  18           HE1      TYR  18  -1.777  10.053   2.310
  149    HE2  TYR  18           HE2      TYR  18  -2.090   8.854   6.390
  150    HH   TYR  18           HH       TYR  18  -2.294  11.196   5.402
  151    H    HIS  19           H        HIS  19  -1.060   5.170   0.683
  152    HA   HIS  19           HA       HIS  19  -3.458   6.645   0.869
  153    HB2  HIS  19           HB3      HIS  19  -1.722   6.502  -1.062
  154    HB3  HIS  19           HB2      HIS  19  -2.678   5.127  -1.599
  155    HD1  HIS  19           HD1      HIS  19  -5.116   5.630  -2.456
  156    HD2  HIS  19           HD2      HIS  19  -2.858   8.992  -1.485
  157    HE1  HIS  19           HE1      HIS  19  -6.321   7.586  -3.477
  158    HE2  HIS  19           HE2      HIS  19  -4.849   9.575  -3.020
  159    H    LEU  20           H        LEU  20  -2.883   3.266  -0.148
  160    HA   LEU  20           HA       LEU  20  -5.654   2.748  -0.541
  161    HB2  LEU  20           HB3      LEU  20  -3.362   0.801  -0.270
  162    HB3  LEU  20           HB2      LEU  20  -5.012   0.325  -0.547
  163    HG   LEU  20           HG       LEU  20  -3.557   0.366  -2.603
  164   HD11  LEU  20          HD11      LEU  20  -5.905   2.229  -2.806
  165   HD12  LEU  20          HD12      LEU  20  -6.078   0.495  -2.564
  166   HD13  LEU  20          HD13      LEU  20  -5.292   1.103  -4.019
  167   HD21  LEU  20          HD21      LEU  20  -3.892   3.353  -2.412
  168   HD22  LEU  20          HD22      LEU  20  -3.065   2.442  -3.677
  169   HD23  LEU  20          HD23      LEU  20  -2.393   2.503  -2.047
  170    H    GLU  21           H        GLU  21  -3.546   2.535   2.215
  171    HA   GLU  21           HA       GLU  21  -5.178   0.907   3.823
  172    HB2  GLU  21           HB3      GLU  21  -2.814   1.574   4.325
  173    HB3  GLU  21           HB2      GLU  21  -3.423   3.158   4.791
  174    HG2  GLU  21           HG3      GLU  21  -4.884   1.973   6.462
  175    HG3  GLU  21           HG2      GLU  21  -3.981   0.509   6.090
  176    H    ASN  22           H        ASN  22  -5.189   4.367   3.204
  177    HA   ASN  22           HA       ASN  22  -7.254   4.948   5.097
  178    HB2  ASN  22           HB3      ASN  22  -6.267   6.538   2.720
  179    HB3  ASN  22           HB2      ASN  22  -7.387   7.141   3.934
  180   HD21  ASN  22          HD21      ASN  22  -5.948   5.711   6.093
  181   HD22  ASN  22          HD22      ASN  22  -4.518   6.637   6.373
  182    H    GLU  23           H        GLU  23  -7.132   4.375   1.617
  183    HA   GLU  23           HA       GLU  23  -9.791   4.964   1.004
  184    HB2  GLU  23           HB3      GLU  23  -7.900   2.995  -0.281
  185    HB3  GLU  23           HB2      GLU  23  -9.443   3.475  -0.970
  186    HG2  GLU  23           HG3      GLU  23  -8.658   5.807  -1.029
  187    HG3  GLU  23           HG2      GLU  23  -7.093   5.269  -0.422
  188    H    VAL  24           H        VAL  24  -8.306   1.905   2.012
  189    HA   VAL  24           HA       VAL  24 -10.551   0.275   1.847
  190    HB   VAL  24           HB       VAL  24  -8.230   0.167   3.777
  191   HG11  VAL  24          HG11      VAL  24 -10.388  -1.897   3.333
  192   HG12  VAL  24          HG12      VAL  24 -10.141  -0.955   4.802
  193   HG13  VAL  24          HG13      VAL  24  -8.926  -2.127   4.292
  194   HG21  VAL  24          HG21      VAL  24  -8.914  -1.383   1.288
  195   HG22  VAL  24          HG22      VAL  24  -7.555  -1.731   2.348
  196   HG23  VAL  24          HG23      VAL  24  -7.619  -0.201   1.473
  197    H    ALA  25           H        ALA  25  -9.360   2.183   4.598
  198    HA   ALA  25           HA       ALA  25 -11.338   1.535   6.443
  199    HB1  ALA  25           HB1      ALA  25  -9.832   4.131   6.208
  200    HB2  ALA  25           HB2      ALA  25  -9.257   2.675   7.019
  201    HB3  ALA  25           HB3      ALA  25 -10.665   3.535   7.642
  202    H    ARG  26           H        ARG  26 -11.329   4.089   3.978
  203    HA   ARG  26           HA       ARG  26 -13.702   5.374   4.813
  204    HB2  ARG  26           HB3      ARG  26 -12.556   5.176   2.020
  205    HB3  ARG  26           HB2      ARG  26 -13.759   6.338   2.558
  206    HG2  ARG  26           HG3      ARG  26 -12.109   7.271   4.132
  207    HG3  ARG  26           HG2      ARG  26 -10.909   6.145   3.490
  208    HD2  ARG  26           HD2      ARG  26 -10.688   8.350   2.461
  209    HD3  ARG  26           HD1      ARG  26 -11.159   7.136   1.273
  210    HE   ARG  26           HE       ARG  26 -13.512   8.247   2.183
  211   HH11  ARG  26          HH11      ARG  26 -10.633   9.387   0.547
  212   HH12  ARG  26          HH12      ARG  26 -11.456  10.685  -0.257
  213   HH21  ARG  26          HH21      ARG  26 -14.594   9.937   1.111
  214   HH22  ARG  26          HH22      ARG  26 -13.708  11.001   0.066
  215    H    LEU  27           H        LEU  27 -13.110   2.987   2.260
  216    HA   LEU  27           HA       LEU  27 -15.792   2.681   1.486
  217    HB2  LEU  27           HB3      LEU  27 -13.521   0.707   1.275
  218    HB3  LEU  27           HB2      LEU  27 -15.038   0.597   0.399
  219    HG   LEU  27           HG       LEU  27 -13.056   2.846   0.107
  220   HD11  LEU  27          HD11      LEU  27 -13.584   0.489  -1.687
  221   HD12  LEU  27          HD12      LEU  27 -12.139   0.751  -0.711
  222   HD13  LEU  27          HD13      LEU  27 -12.511   1.843  -2.042
  223   HD21  LEU  27          HD21      LEU  27 -15.309   3.547  -0.402
  224   HD22  LEU  27          HD22      LEU  27 -15.546   2.135  -1.430
  225   HD23  LEU  27          HD23      LEU  27 -14.392   3.383  -1.897
  226    H    LYS  28           H        LYS  28 -14.049   1.345   4.171
  227    HA   LYS  28           HA       LYS  28 -15.746  -0.862   4.684
  228    HB2  LYS  28           HB3      LYS  28 -13.736   0.665   6.303
  229    HB3  LYS  28           HB2      LYS  28 -14.778  -0.510   7.089
  230    HG2  LYS  28           HG3      LYS  28 -13.046  -1.173   4.726
  231    HG3  LYS  28           HG2      LYS  28 -12.514  -1.340   6.401
  232    HD2  LYS  28           HD3      LYS  28 -14.422  -2.855   6.825
  233    HD3  LYS  28           HD2      LYS  28 -14.863  -2.734   5.106
  234    HE2  LYS  28           HE3      LYS  28 -12.754  -3.723   4.464
  235    HE3  LYS  28           HE2      LYS  28 -12.210  -3.738   6.140
  236    HZ1  LYS  28           HZ1      LYS  28 -14.532  -5.258   5.089
  237    HZ2  LYS  28           HZ2      LYS  28 -13.944  -5.306   6.670
  238    HZ3  LYS  28           HZ3      LYS  28 -13.004  -5.910   5.401
  239    H    LYS  29           H        LYS  29 -15.570   2.421   6.069
  240    HA   LYS  29           HA       LYS  29 -17.837   2.206   7.708
  241    HB2  LYS  29           HB3      LYS  29 -16.723   4.670   6.340
  242    HB3  LYS  29           HB2      LYS  29 -17.823   4.668   7.710
  243    HG2  LYS  29           HG3      LYS  29 -16.164   3.799   9.163
  244    HG3  LYS  29           HG2      LYS  29 -15.097   3.407   7.810
  245    HD2  LYS  29           HD3      LYS  29 -14.823   5.780   7.332
  246    HD3  LYS  29           HD2      LYS  29 -15.921   6.181   8.655
  247    HE2  LYS  29           HE3      LYS  29 -13.583   6.442   9.323
  248    HE3  LYS  29           HE2      LYS  29 -14.384   5.177  10.253
  249    HZ1  LYS  29           HZ1      LYS  29 -12.165   4.519   9.535
  250    HZ2  LYS  29           HZ2      LYS  29 -12.609   4.727   7.916
  251    HZ3  LYS  29           HZ3      LYS  29 -13.346   3.521   8.846
  252    H    LEU  30           H        LEU  30 -17.478   3.062   4.315
  253    HA   LEU  30           HA       LEU  30 -20.121   3.965   3.908
  254    HB2  LEU  30           HB3      LEU  30 -18.202   2.752   1.921
  255    HB3  LEU  30           HB2      LEU  30 -19.662   3.629   1.516
  256    HG   LEU  30           HG       LEU  30 -17.232   4.784   2.883
  257   HD11  LEU  30          HD11      LEU  30 -16.908   4.305   0.504
  258   HD12  LEU  30          HD12      LEU  30 -16.948   6.039   0.820
  259   HD13  LEU  30          HD13      LEU  30 -18.354   5.236   0.122
  260   HD21  LEU  30          HD21      LEU  30 -18.373   6.935   2.637
  261   HD22  LEU  30          HD22      LEU  30 -19.277   5.839   3.680
  262   HD23  LEU  30          HD23      LEU  30 -19.801   6.106   2.018
  263    H    VAL  31           H        VAL  31 -18.646   0.816   3.024
  264    HA   VAL  31           HA       VAL  31 -21.249  -0.327   2.568
  265    HB   VAL  31           HB       VAL  31 -19.127  -0.878   1.275
  266   HG11  VAL  31          HG11      VAL  31 -17.598  -1.211   3.112
  267   HG12  VAL  31          HG12      VAL  31 -17.734  -2.696   2.170
  268   HG13  VAL  31          HG13      VAL  31 -18.571  -2.552   3.715
  269   HG21  VAL  31          HG21      VAL  31 -20.789  -3.115   2.403
  270   HG22  VAL  31          HG22      VAL  31 -19.766  -3.233   0.974
  271   HG23  VAL  31          HG23      VAL  31 -21.149  -2.141   0.978
  272    H    GLY  32           H        GLY  32 -20.181   0.586   5.322
  273    HA2  GLY  32           HA3      GLY  32 -20.117  -1.832   6.887
  274    HA3  GLY  32           HA2      GLY  32 -20.119  -0.186   7.503
  275    H    GLU  33           H        GLU  33 -22.360  -2.074   5.515
  276    HA   GLU  33           HA       GLU  33 -24.436  -1.722   7.551
  277    HB2  GLU  33           HB3      GLU  33 -24.702   0.060   5.817
  278    HB3  GLU  33           HB2      GLU  33 -24.832  -1.195   4.593
  279    HG2  GLU  33           HG3      GLU  33 -26.826  -2.068   5.829
  280    HG3  GLU  33           HG2      GLU  33 -26.740  -0.629   6.844
  281    H1   GLY   1           H1       GLY   1  27.264  -1.529   2.813
  282    H2   GLY   1           H2       GLY   1  27.292  -0.981   4.410
  283    H3   GLY   1           H3       GLY   1  27.885   0.002   3.170
  284    HA2  GLY   1           HA2      GLY   1  25.720   0.765   3.873
  285    HA3  GLY   1           HA3      GLY   1  25.689   0.194   2.211
  286    H    SER   2           H        SER   2  23.777   0.311   4.686
  287    HA   SER   2           HA       SER   2  23.042  -2.447   5.046
  288    HB2  SER   2           HB3      SER   2  21.542   0.044   5.882
  289    HB3  SER   2           HB2      SER   2  21.330  -1.584   6.523
  290    HG   SER   2           HG       SER   2  22.713  -0.015   7.735
  291    H    MET   3           H        MET   3  22.820  -2.656   2.604
  292    HA   MET   3           HA       MET   3  20.541  -1.471   1.346
  293    HB2  MET   3           HB3      MET   3  22.320  -3.769   0.532
  294    HB3  MET   3           HB2      MET   3  20.991  -3.180  -0.456
  295    HG2  MET   3           HG3      MET   3  22.063  -0.959  -0.508
  296    HG3  MET   3           HG2      MET   3  23.425  -1.627   0.389
  297    HE1  MET   3           HE1      MET   3  22.243  -2.954  -3.877
  298    HE2  MET   3           HE2      MET   3  21.366  -1.743  -2.942
  299    HE3  MET   3           HE3      MET   3  21.329  -3.436  -2.447
  300    H    LYS   4           H        LYS   4  21.234  -4.665   2.723
  301    HA   LYS   4           HA       LYS   4  18.770  -5.821   2.027
  302    HB2  LYS   4           HB3      LYS   4  20.648  -6.504   4.284
  303    HB3  LYS   4           HB2      LYS   4  19.264  -7.482   3.820
  304    HG2  LYS   4           HG3      LYS   4  20.273  -7.664   1.534
  305    HG3  LYS   4           HG2      LYS   4  21.718  -6.890   2.187
  306    HD2  LYS   4           HD3      LYS   4  22.319  -9.062   2.494
  307    HD3  LYS   4           HD2      LYS   4  21.450  -8.808   4.007
  308    HE2  LYS   4           HE3      LYS   4  20.344 -10.068   1.498
  309    HE3  LYS   4           HE2      LYS   4  20.797 -10.915   2.973
  310    HZ1  LYS   4           HZ1      LYS   4  19.065  -9.467   4.091
  311    HZ2  LYS   4           HZ2      LYS   4  18.498 -10.683   3.070
  312    HZ3  LYS   4           HZ3      LYS   4  18.517  -9.081   2.534
  313    H    GLN   5           H        GLN   5  19.697  -3.771   4.704
  314    HA   GLN   5           HA       GLN   5  17.452  -4.105   6.337
  315    HB2  GLN   5           HB3      GLN   5  19.377  -2.838   7.099
  316    HB3  GLN   5           HB2      GLN   5  19.140  -1.647   5.828
  317    HG2  GLN   5           HG3      GLN   5  16.992  -1.018   6.840
  318    HG3  GLN   5           HG2      GLN   5  17.282  -2.178   8.136
  319   HE21  GLN   5          HE21      GLN   5  16.924   0.724   8.221
  320   HE22  GLN   5          HE22      GLN   5  18.334   1.346   9.003
  321    H    LEU   6           H        LEU   6  18.040  -1.860   3.654
  322    HA   LEU   6           HA       LEU   6  15.400  -0.768   3.703
  323    HB2  LEU   6           HB3      LEU   6  17.478  -0.737   1.506
  324    HB3  LEU   6           HB2      LEU   6  15.980   0.168   1.475
  325    HG   LEU   6           HG       LEU   6  18.206   0.564   3.480
  326   HD11  LEU   6          HD11      LEU   6  18.820   1.309   1.244
  327   HD12  LEU   6          HD12      LEU   6  18.572   2.679   2.327
  328   HD13  LEU   6          HD13      LEU   6  17.334   2.254   1.144
  329   HD21  LEU   6          HD21      LEU   6  16.928   2.564   4.129
  330   HD22  LEU   6          HD22      LEU   6  16.049   1.071   4.456
  331   HD23  LEU   6          HD23      LEU   6  15.621   2.057   3.058
  332    H    GLU   7           H        GLU   7  16.937  -3.457   2.145
  333    HA   GLU   7           HA       GLU   7  15.050  -4.106   0.202
  334    HB2  GLU   7           HB3      GLU   7  17.219  -5.158   0.265
  335    HB3  GLU   7           HB2      GLU   7  16.904  -5.814   1.861
  336    HG2  GLU   7           HG3      GLU   7  15.128  -7.223   0.896
  337    HG3  GLU   7           HG2      GLU   7  15.586  -6.630  -0.718
  338    H    ASP   8           H        ASP   8  15.235  -5.007   3.636
  339    HA   ASP   8           HA       ASP   8  12.966  -6.659   3.713
  340    HB2  ASP   8           HB3      ASP   8  14.345  -4.996   5.805
  341    HB3  ASP   8           HB2      ASP   8  12.850  -5.845   6.177
  342    H    LYS   9           H        LYS   9  13.312  -3.197   4.304
  343    HA   LYS   9           HA       LYS   9  10.667  -2.513   4.835
  344    HB2  LYS   9           HB3      LYS   9  12.319  -0.766   3.021
  345    HB3  LYS   9           HB2      LYS   9  11.143  -0.297   4.240
  346    HG2  LYS   9           HG3      LYS   9  13.821  -1.526   4.853
  347    HG3  LYS   9           HG2      LYS   9  13.435   0.194   4.947
  348    HD2  LYS   9           HD3      LYS   9  11.785  -0.237   6.664
  349    HD3  LYS   9           HD2      LYS   9  12.048  -1.975   6.518
  350    HE2  LYS   9           HE3      LYS   9  14.343  -1.705   7.285
  351    HE3  LYS   9           HE2      LYS   9  14.114   0.038   7.391
  352    HZ1  LYS   9           HZ1      LYS   9  13.892  -1.086   9.543
  353    HZ2  LYS   9           HZ2      LYS   9  12.577  -1.962   8.947
  354    HZ3  LYS   9           HZ3      LYS   9  12.475  -0.281   9.096
  355    H    VAL  10           H        VAL  10  12.240  -2.721   1.677
  356    HA   VAL  10           HA       VAL  10  10.075  -1.921   0.070
  357    HB   VAL  10           HB       VAL  10  12.298  -3.853  -0.637
  358   HG11  VAL  10          HG11      VAL  10  10.468  -2.225  -2.398
  359   HG12  VAL  10          HG12      VAL  10  10.455  -3.979  -2.216
  360   HG13  VAL  10          HG13      VAL  10  11.841  -3.178  -2.956
  361   HG21  VAL  10          HG21      VAL  10  12.123  -0.859  -0.945
  362   HG22  VAL  10          HG22      VAL  10  13.391  -1.876  -1.629
  363   HG23  VAL  10          HG23      VAL  10  13.211  -1.748   0.121
  364    H    GLU  11           H        GLU  11  11.108  -4.930   1.423
  365    HA   GLU  11           HA       GLU  11   9.240  -6.620   0.079
  366    HB2  GLU  11           HB3      GLU  11  11.409  -7.363   1.090
  367    HB3  GLU  11           HB2      GLU  11  10.695  -7.137   2.679
  368    HG2  GLU  11           HG3      GLU  11  10.614  -9.452   2.117
  369    HG3  GLU  11           HG2      GLU  11   8.972  -8.808   2.093
  370    H    GLU  12           H        GLU  12   9.364  -5.377   3.455
  371    HA   GLU  12           HA       GLU  12   6.959  -6.490   4.345
  372    HB2  GLU  12           HB3      GLU  12   8.204  -3.851   5.136
  373    HB3  GLU  12           HB2      GLU  12   6.945  -4.681   6.035
  374    HG2  GLU  12           HG3      GLU  12   8.460  -6.554   6.433
  375    HG3  GLU  12           HG2      GLU  12   9.723  -5.717   5.530
  376    H    LEU  13           H        LEU  13   7.460  -3.155   3.304
  377    HA   LEU  13           HA       LEU  13   4.881  -2.259   3.167
  378    HB2  LEU  13           HB3      LEU  13   7.147  -1.590   1.294
  379    HB3  LEU  13           HB2      LEU  13   5.669  -0.660   1.452
  380    HG   LEU  13           HG       LEU  13   7.667  -1.088   3.676
  381   HD11  LEU  13          HD11      LEU  13   7.215   1.293   1.884
  382   HD12  LEU  13          HD12      LEU  13   8.633   0.245   1.895
  383   HD13  LEU  13          HD13      LEU  13   8.272   1.255   3.295
  384   HD21  LEU  13          HD21      LEU  13   5.403  -0.707   4.485
  385   HD22  LEU  13          HD22      LEU  13   5.261   0.719   3.458
  386   HD23  LEU  13          HD23      LEU  13   6.416   0.704   4.791
  387    H    LEU  14           H        LEU  14   6.611  -4.071   0.689
  388    HA   LEU  14           HA       LEU  14   4.857  -3.915  -1.436
  389    HB2  LEU  14           HB3      LEU  14   7.143  -5.418  -0.951
  390    HB3  LEU  14           HB2      LEU  14   5.892  -6.636  -1.064
  391    HG   LEU  14           HG       LEU  14   6.933  -6.370  -3.224
  392   HD11  LEU  14          HD11      LEU  14   4.528  -6.763  -3.261
  393   HD12  LEU  14          HD12      LEU  14   5.038  -5.767  -4.624
  394   HD13  LEU  14          HD13      LEU  14   4.235  -5.023  -3.242
  395   HD21  LEU  14          HD21      LEU  14   6.249  -3.448  -3.001
  396   HD22  LEU  14          HD22      LEU  14   6.976  -4.243  -4.398
  397   HD23  LEU  14          HD23      LEU  14   7.860  -4.157  -2.871
  398    H    SER  15           H        SER  15   4.917  -6.440   1.078
  399    HA   SER  15           HA       SER  15   2.698  -7.880   0.269
  400    HB2  SER  15           HB3      SER  15   4.330  -8.553   2.046
  401    HB3  SER  15           HB2      SER  15   3.553  -7.407   3.135
  402    HG   SER  15           HG       SER  15   2.260  -9.591   1.856
  403    H    LYS  16           H        LYS  16   2.840  -5.146   2.519
  404    HA   LYS  16           HA       LYS  16   0.040  -5.111   3.031
  405    HB2  LYS  16           HB3      LYS  16   1.895  -4.221   4.512
  406    HB3  LYS  16           HB2      LYS  16   2.047  -2.872   3.405
  407    HG2  LYS  16           HG3      LYS  16  -0.548  -3.460   4.812
  408    HG3  LYS  16           HG2      LYS  16   0.733  -2.520   5.566
  409    HD2  LYS  16           HD3      LYS  16   0.669  -1.036   3.519
  410    HD3  LYS  16           HD2      LYS  16  -0.816  -1.873   3.073
  411    HE2  LYS  16           HE3      LYS  16  -1.361   0.163   4.246
  412    HE3  LYS  16           HE2      LYS  16  -1.795  -1.223   5.244
  413    HZ1  LYS  16           HZ1      LYS  16   0.254  -0.910   6.496
  414    HZ2  LYS  16           HZ2      LYS  16  -0.702   0.487   6.549
  415    HZ3  LYS  16           HZ3      LYS  16   0.660   0.426   5.539
  416    H    ASN  17           H        ASN  17   2.189  -3.352   0.867
  417    HA   ASN  17           HA       ASN  17   0.531  -1.456  -0.279
  418    HB2  ASN  17           HB3      ASN  17   2.994  -1.853  -0.718
  419    HB3  ASN  17           HB2      ASN  17   2.521  -3.188  -1.752
  420   HD21  ASN  17          HD21      ASN  17   2.827   0.246  -1.495
  421   HD22  ASN  17          HD22      ASN  17   2.408   0.596  -3.134
  422    H    TYR  18           H        TYR  18   1.022  -4.820  -1.248
  423    HA   TYR  18           HA       TYR  18  -0.815  -4.757  -3.408
  424    HB2  TYR  18           HB3      TYR  18   0.850  -6.308  -3.710
  425    HB3  TYR  18           HB2      TYR  18   0.899  -6.747  -2.011
  426    HD1  TYR  18           HD1      TYR  18  -0.441  -8.501  -1.149
  427    HD2  TYR  18           HD2      TYR  18  -0.806  -7.335  -5.216
  428    HE1  TYR  18           HE1      TYR  18  -1.678 -10.555  -1.613
  429    HE2  TYR  18           HE2      TYR  18  -2.058  -9.392  -5.697
  430    HH   TYR  18           HH       TYR  18  -2.231 -11.715  -4.705
  431    H    HIS  19           H        HIS  19  -0.989  -5.670  -0.026
  432    HA   HIS  19           HA       HIS  19  -3.372  -7.174  -0.166
  433    HB2  HIS  19           HB3      HIS  19  -1.608  -6.995   1.737
  434    HB3  HIS  19           HB2      HIS  19  -2.574  -5.629   2.283
  435    HD1  HIS  19           HD1      HIS  19  -4.997  -6.161   3.171
  436    HD2  HIS  19           HD2      HIS  19  -2.697  -9.494   2.196
  437    HE1  HIS  19           HE1      HIS  19  -6.159  -8.129   4.222
  438    HE2  HIS  19           HE2      HIS  19  -4.675 -10.103   3.740
  439    H    LEU  20           H        LEU  20  -2.824  -3.778   0.823
  440    HA   LEU  20           HA       LEU  20  -5.596  -3.293   1.255
  441    HB2  LEU  20           HB3      LEU  20  -3.332  -1.317   0.943
  442    HB3  LEU  20           HB2      LEU  20  -4.985  -0.861   1.242
  443    HG   LEU  20           HG       LEU  20  -3.501  -0.877   3.276
  444   HD11  LEU  20          HD11      LEU  20  -5.818  -2.771   3.519
  445   HD12  LEU  20          HD12      LEU  20  -6.021  -1.042   3.270
  446   HD13  LEU  20          HD13      LEU  20  -5.206  -1.630   4.717
  447   HD21  LEU  20          HD21      LEU  20  -3.797  -3.868   3.104
  448   HD22  LEU  20          HD22      LEU  20  -2.965  -2.941   4.352
  449   HD23  LEU  20          HD23      LEU  20  -2.315  -3.001   2.715
  450    H    GLU  21           H        GLU  21  -3.530  -3.062  -1.531
  451    HA   GLU  21           HA       GLU  21  -5.202  -1.460  -3.124
  452    HB2  GLU  21           HB3      GLU  21  -2.836  -2.100  -3.653
  453    HB3  GLU  21           HB2      GLU  21  -3.430  -3.692  -4.111
  454    HG2  GLU  21           HG3      GLU  21  -4.925  -2.519  -5.765
  455    HG3  GLU  21           HG2      GLU  21  -4.025  -1.050  -5.406
  456    H    ASN  22           H        ASN  22  -5.163  -4.916  -2.485
  457    HA   ASN  22           HA       ASN  22  -7.248  -5.534  -4.347
  458    HB2  ASN  22           HB3      ASN  22  -6.207  -7.104  -1.979
  459    HB3  ASN  22           HB2      ASN  22  -7.339  -7.722  -3.174
  460   HD21  ASN  22          HD21      ASN  22  -5.950  -6.299  -5.366
  461   HD22  ASN  22          HD22      ASN  22  -4.518  -7.214  -5.663
  462    H    GLU  23           H        GLU  23  -7.077  -4.943  -0.868
  463    HA   GLU  23           HA       GLU  23  -9.720  -5.569  -0.215
  464    HB2  GLU  23           HB3      GLU  23  -7.841  -3.568   1.043
  465    HB3  GLU  23           HB2      GLU  23  -9.371  -4.066   1.751
  466    HG2  GLU  23           HG3      GLU  23  -8.554  -6.382   1.829
  467    HG3  GLU  23           HG2      GLU  23  -7.006  -5.836   1.185
  468    H    VAL  24           H        VAL  24  -8.295  -2.489  -1.258
  469    HA   VAL  24           HA       VAL  24 -10.559  -0.888  -1.070
  470    HB   VAL  24           HB       VAL  24  -8.268  -0.764  -3.033
  471   HG11  VAL  24          HG11      VAL  24 -10.443   1.278  -2.569
  472   HG12  VAL  24          HG12      VAL  24 -10.204   0.334  -4.038
  473   HG13  VAL  24          HG13      VAL  24  -8.998   1.523  -3.548
  474   HG21  VAL  24          HG21      VAL  24  -8.936   0.787  -0.539
  475   HG22  VAL  24          HG22      VAL  24  -7.596   1.150  -1.619
  476   HG23  VAL  24          HG23      VAL  24  -7.628  -0.378  -0.741
  477    H    ALA  25           H        ALA  25  -9.383  -2.791  -3.833
  478    HA   ALA  25           HA       ALA  25 -11.394  -2.180  -5.651
  479    HB1  ALA  25           HB1      ALA  25  -9.859  -4.760  -5.425
  480    HB2  ALA  25           HB2      ALA  25  -9.310  -3.302  -6.250
  481    HB3  ALA  25           HB3      ALA  25 -10.717  -4.178  -6.851
  482    H    ARG  26           H        ARG  26 -11.320  -4.719  -3.179
  483    HA   ARG  26           HA       ARG  26 -13.687  -6.034  -3.970
  484    HB2  ARG  26           HB3      ARG  26 -12.503  -5.815  -1.198
  485    HB3  ARG  26           HB2      ARG  26 -13.701  -6.990  -1.714
  486    HG2  ARG  26           HG3      ARG  26 -12.062  -7.910  -3.311
  487    HG3  ARG  26           HG2      ARG  26 -10.867  -6.771  -2.684
  488    HD2  ARG  26           HD2      ARG  26 -10.612  -8.974  -1.657
  489    HD3  ARG  26           HD1      ARG  26 -11.076  -7.762  -0.463
  490    HE   ARG  26           HE       ARG  26 -13.433  -8.900  -1.338
  491   HH11  ARG  26          HH11      ARG  26 -10.513 -10.006   0.234
  492   HH12  ARG  26          HH12      ARG  26 -11.307 -11.297   1.078
  493   HH21  ARG  26          HH21      ARG  26 -14.479 -10.599  -0.238
  494   HH22  ARG  26          HH22      ARG  26 -13.560 -11.649   0.798
  495    H    LEU  27           H        LEU  27 -13.088  -3.629  -1.441
  496    HA   LEU  27           HA       LEU  27 -15.762  -3.359  -0.626
  497    HB2  LEU  27           HB3      LEU  27 -13.512  -1.355  -0.455
  498    HB3  LEU  27           HB2      LEU  27 -15.019  -1.260   0.442
  499    HG   LEU  27           HG       LEU  27 -13.006  -3.483   0.713
  500   HD11  LEU  27          HD11      LEU  27 -13.532  -1.127   2.505
  501   HD12  LEU  27          HD12      LEU  27 -12.101  -1.375   1.507
  502   HD13  LEU  27          HD13      LEU  27 -12.439  -2.466   2.848
  503   HD21  LEU  27          HD21      LEU  27 -15.243  -4.210   1.257
  504   HD22  LEU  27          HD22      LEU  27 -15.482  -2.797   2.285
  505   HD23  LEU  27          HD23      LEU  27 -14.303  -4.029   2.738
  506    H    LYS  28           H        LYS  28 -14.075  -2.011  -3.344
  507    HA   LYS  28           HA       LYS  28 -15.805   0.174  -3.839
  508    HB2  LYS  28           HB3      LYS  28 -13.799  -1.337  -5.482
  509    HB3  LYS  28           HB2      LYS  28 -14.867  -0.177  -6.256
  510    HG2  LYS  28           HG3      LYS  28 -13.110   0.514  -3.922
  511    HG3  LYS  28           HG2      LYS  28 -12.605   0.682  -5.603
  512    HD2  LYS  28           HD3      LYS  28 -14.539   2.169  -6.006
  513    HD3  LYS  28           HD2      LYS  28 -14.951   2.049  -4.279
  514    HE2  LYS  28           HE3      LYS  28 -12.852   3.064  -3.675
  515    HE3  LYS  28           HE2      LYS  28 -12.326   3.078  -5.356
  516    HZ1  LYS  28           HZ1      LYS  28 -14.650   4.578  -4.281
  517    HZ2  LYS  28           HZ2      LYS  28 -14.081   4.627  -5.870
  518    HZ3  LYS  28           HZ3      LYS  28 -13.132   5.241  -4.618
  519    H    LYS  29           H        LYS  29 -15.606  -3.109  -5.221
  520    HA   LYS  29           HA       LYS  29 -17.904  -2.931  -6.819
  521    HB2  LYS  29           HB3      LYS  29 -16.741  -5.377  -5.460
  522    HB3  LYS  29           HB2      LYS  29 -17.858  -5.391  -6.817
  523    HG2  LYS  29           HG3      LYS  29 -16.226  -4.511  -8.292
  524    HG3  LYS  29           HG2      LYS  29 -15.147  -4.099  -6.956
  525    HD2  LYS  29           HD3      LYS  29 -14.836  -6.467  -6.472
  526    HD3  LYS  29           HD2      LYS  29 -15.944  -6.889  -7.779
  527    HE2  LYS  29           HE3      LYS  29 -13.612  -7.117  -8.477
  528    HE3  LYS  29           HE2      LYS  29 -14.442  -5.868  -9.401
  529    HZ1  LYS  29           HZ1      LYS  29 -12.224  -5.175  -8.711
  530    HZ2  LYS  29           HZ2      LYS  29 -12.651  -5.377  -7.088
  531    HZ3  LYS  29           HZ3      LYS  29 -13.413  -4.189  -8.019
  532    H    LEU  30           H        LEU  30 -17.480  -3.764  -3.423
  533    HA   LEU  30           HA       LEU  30 -20.106  -4.707  -2.975
  534    HB2  LEU  30           HB3      LEU  30 -18.173  -3.462  -1.022
  535    HB3  LEU  30           HB2      LEU  30 -19.619  -4.353  -0.591
  536    HG   LEU  30           HG       LEU  30 -17.198  -5.484  -1.991
  537   HD11  LEU  30          HD11      LEU  30 -16.840  -4.995   0.379
  538   HD12  LEU  30          HD12      LEU  30 -16.866  -6.730   0.067
  539   HD13  LEU  30          HD13      LEU  30 -18.270  -5.941   0.786
  540   HD21  LEU  30          HD21      LEU  30 -18.309  -7.646  -1.722
  541   HD22  LEU  30          HD22      LEU  30 -19.241  -6.564  -2.754
  542   HD23  LEU  30          HD23      LEU  30 -19.737  -6.834  -1.084
  543    H    VAL  31           H        VAL  31 -18.660  -1.534  -2.129
  544    HA   VAL  31           HA       VAL  31 -21.271  -0.419  -1.643
  545    HB   VAL  31           HB       VAL  31 -19.136   0.161  -0.380
  546   HG11  VAL  31          HG11      VAL  31 -17.638   0.504  -2.241
  547   HG12  VAL  31          HG12      VAL  31 -17.776   1.990  -1.300
  548   HG13  VAL  31          HG13      VAL  31 -18.632   1.834  -2.834
  549   HG21  VAL  31          HG21      VAL  31 -20.840   2.376  -1.491
  550   HG22  VAL  31          HG22      VAL  31 -19.795   2.511  -0.079
  551   HG23  VAL  31          HG23      VAL  31 -21.166   1.402  -0.056
  552    H    GLY  32           H        GLY  32 -20.236  -1.331  -4.407
  553    HA2  GLY  32           HA3      GLY  32 -20.215   1.082  -5.981
  554    HA3  GLY  32           HA2      GLY  32 -20.210  -0.566  -6.591
  555    H    GLU  33           H        GLU  33 -22.441   1.303  -4.577
  556    HA   GLU  33           HA       GLU  33 -24.542   0.920  -6.580
  557    HB2  GLU  33           HB3      GLU  33 -24.758  -0.865  -4.842
  558    HB3  GLU  33           HB2      GLU  33 -24.889   0.389  -3.618
  559    HG2  GLU  33           HG3      GLU  33 -26.909   1.236  -4.824
  560    HG3  GLU  33           HG2      GLU  33 -26.818  -0.200  -5.843
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  19.620  -4.670  -5.801
    2    H2   GLY   1           H2       GLY   1  19.993  -4.347  -4.183
    3    H3   GLY   1           H3       GLY   1  21.181  -4.178  -5.373
    4    HA2  GLY   1           HA2      GLY   1  19.940  -2.365  -6.386
    5    HA3  GLY   1           HA3      GLY   1  18.729  -2.530  -5.124
    6    H    SER   2           H        SER   2  20.832  -0.423  -5.973
    7    HA   SER   2           HA       SER   2  22.592  -0.146  -3.773
    8    HB2  SER   2           HB3      SER   2  21.639   1.933  -5.751
    9    HB3  SER   2           HB2      SER   2  23.037   2.088  -4.688
   10    HG   SER   2           HG       SER   2  24.081   0.521  -5.816
   11    H    MET   3           H        MET   3  22.570   1.789  -2.303
   12    HA   MET   3           HA       MET   3  20.376   1.553  -0.602
   13    HB2  MET   3           HB3      MET   3  22.493   3.698  -0.736
   14    HB3  MET   3           HB2      MET   3  21.330   3.553   0.573
   15    HG2  MET   3           HG3      MET   3  22.196   1.323   1.087
   16    HG3  MET   3           HG2      MET   3  23.377   1.492  -0.210
   17    HE1  MET   3           HE1      MET   3  25.313   0.908   1.499
   18    HE2  MET   3           HE2      MET   3  24.146   0.762   2.811
   19    HE3  MET   3           HE3      MET   3  25.580   1.767   3.015
   20    H    LYS   4           H        LYS   4  21.248   4.384  -2.601
   21    HA   LYS   4           HA       LYS   4  18.967   5.881  -1.942
   22    HB2  LYS   4           HB3      LYS   4  20.973   6.889  -2.920
   23    HB3  LYS   4           HB2      LYS   4  20.686   6.028  -4.423
   24    HG2  LYS   4           HG3      LYS   4  19.996   8.335  -4.625
   25    HG3  LYS   4           HG2      LYS   4  18.596   7.267  -4.731
   26    HD2  LYS   4           HD3      LYS   4  17.997   9.119  -3.348
   27    HD3  LYS   4           HD2      LYS   4  18.177   7.709  -2.306
   28    HE2  LYS   4           HE3      LYS   4  19.204   9.609  -1.248
   29    HE3  LYS   4           HE2      LYS   4  20.461   8.476  -1.736
   30    HZ1  LYS   4           HZ1      LYS   4  21.067  10.754  -2.257
   31    HZ2  LYS   4           HZ2      LYS   4  19.683  10.936  -3.205
   32    HZ3  LYS   4           HZ3      LYS   4  20.893   9.854  -3.674
   33    H    GLN   5           H        GLN   5  19.593   3.651  -4.609
   34    HA   GLN   5           HA       GLN   5  17.249   4.021  -6.062
   35    HB2  GLN   5           HB3      GLN   5  19.087   2.702  -6.930
   36    HB3  GLN   5           HB2      GLN   5  18.890   1.518  -5.645
   37    HG2  GLN   5           HG3      GLN   5  16.688   0.928  -6.533
   38    HG3  GLN   5           HG2      GLN   5  16.902   2.105  -7.828
   39   HE21  GLN   5          HE21      GLN   5  19.730   1.511  -8.157
   40   HE22  GLN   5          HE22      GLN   5  19.806  -0.018  -8.960
   41    H    LEU   6           H        LEU   6  17.907   1.837  -3.345
   42    HA   LEU   6           HA       LEU   6  15.274   0.732  -3.315
   43    HB2  LEU   6           HB3      LEU   6  17.397   0.765  -1.165
   44    HB3  LEU   6           HB2      LEU   6  15.901  -0.139  -1.070
   45    HG   LEU   6           HG       LEU   6  18.091  -0.591  -3.101
   46   HD11  LEU   6          HD11      LEU   6  18.478  -2.666  -1.902
   47   HD12  LEU   6          HD12      LEU   6  17.238  -2.234  -0.727
   48   HD13  LEU   6          HD13      LEU   6  18.715  -1.278  -0.841
   49   HD21  LEU   6          HD21      LEU   6  15.931  -1.120  -4.044
   50   HD22  LEU   6          HD22      LEU   6  15.500  -2.053  -2.610
   51   HD23  LEU   6          HD23      LEU   6  16.795  -2.610  -3.669
   52    H    GLU   7           H        GLU   7  16.802   3.490  -1.856
   53    HA   GLU   7           HA       GLU   7  14.888   4.015   0.137
   54    HB2  GLU   7           HB3      GLU   7  17.084   4.996   0.267
   55    HB3  GLU   7           HB2      GLU   7  16.876   5.797  -1.281
   56    HG2  GLU   7           HG3      GLU   7  15.190   7.251  -0.339
   57    HG3  GLU   7           HG2      GLU   7  15.318   6.422   1.230
   58    H    ASP   8           H        ASP   8  15.088   4.868  -3.268
   59    HA   ASP   8           HA       ASP   8  12.913   6.685  -3.285
   60    HB2  ASP   8           HB3      ASP   8  14.173   4.992  -5.434
   61    HB3  ASP   8           HB2      ASP   8  12.763   5.990  -5.760
   62    H    LYS   9           H        LYS   9  13.128   3.231  -4.002
   63    HA   LYS   9           HA       LYS   9  10.369   2.879  -4.562
   64    HB2  LYS   9           HB3      LYS   9  11.907   0.602  -3.399
   65    HB3  LYS   9           HB2      LYS   9  10.738   0.615  -4.713
   66    HG2  LYS   9           HG3      LYS   9  12.533   1.971  -5.998
   67    HG3  LYS   9           HG2      LYS   9  13.639   1.307  -4.796
   68    HD2  LYS   9           HD3      LYS   9  11.859  -0.261  -6.661
   69    HD3  LYS   9           HD2      LYS   9  13.610  -0.095  -6.777
   70    HE2  LYS   9           HE3      LYS   9  13.861  -1.241  -4.632
   71    HE3  LYS   9           HE2      LYS   9  12.110  -1.395  -4.507
   72    HZ1  LYS   9           HZ1      LYS   9  13.788  -2.594  -6.641
   73    HZ2  LYS   9           HZ2      LYS   9  12.113  -2.765  -6.484
   74    HZ3  LYS   9           HZ3      LYS   9  13.142  -3.426  -5.321
   75    H    VAL  10           H        VAL  10  12.218   2.371  -1.578
   76    HA   VAL  10           HA       VAL  10  10.185   1.162  -0.053
   77    HB   VAL  10           HB       VAL  10  12.592   1.239   0.612
   78   HG11  VAL  10          HG11      VAL  10  11.980   4.040   1.524
   79   HG12  VAL  10          HG12      VAL  10  12.982   3.618   0.136
   80   HG13  VAL  10          HG13      VAL  10  13.487   3.154   1.762
   81   HG21  VAL  10          HG21      VAL  10  10.620   2.231   2.662
   82   HG22  VAL  10          HG22      VAL  10  12.174   1.477   3.017
   83   HG23  VAL  10          HG23      VAL  10  10.910   0.551   2.211
   84    H    GLU  11           H        GLU  11  10.963   4.415  -0.866
   85    HA   GLU  11           HA       GLU  11   9.051   5.629   0.919
   86    HB2  GLU  11           HB3      GLU  11  11.114   6.790   0.194
   87    HB3  GLU  11           HB2      GLU  11  10.482   6.847  -1.446
   88    HG2  GLU  11           HG3      GLU  11   8.626   8.226  -0.703
   89    HG3  GLU  11           HG2      GLU  11   9.215   8.144   0.956
   90    H    GLU  12           H        GLU  12   9.185   5.183  -2.653
   91    HA   GLU  12           HA       GLU  12   6.734   6.397  -3.230
   92    HB2  GLU  12           HB3      GLU  12   8.355   5.836  -4.956
   93    HB3  GLU  12           HB2      GLU  12   8.124   4.119  -4.653
   94    HG2  GLU  12           HG3      GLU  12   5.788   4.328  -5.380
   95    HG3  GLU  12           HG2      GLU  12   6.067   6.030  -5.738
   96    H    LEU  13           H        LEU  13   7.419   2.955  -2.823
   97    HA   LEU  13           HA       LEU  13   4.880   1.913  -2.972
   98    HB2  LEU  13           HB3      LEU  13   7.092   1.011  -1.130
   99    HB3  LEU  13           HB2      LEU  13   5.703   0.053  -1.602
  100    HG   LEU  13           HG       LEU  13   7.876   1.023  -3.461
  101   HD11  LEU  13          HD11      LEU  13   7.279  -1.711  -2.355
  102   HD12  LEU  13          HD12      LEU  13   8.674  -0.706  -1.969
  103   HD13  LEU  13          HD13      LEU  13   8.475  -1.352  -3.599
  104   HD21  LEU  13          HD21      LEU  13   6.793  -0.504  -5.084
  105   HD22  LEU  13          HD22      LEU  13   5.792   0.878  -4.643
  106   HD23  LEU  13          HD23      LEU  13   5.459  -0.708  -3.949
  107    H    LEU  14           H        LEU  14   6.508   3.178  -0.072
  108    HA   LEU  14           HA       LEU  14   4.414   2.631   1.715
  109    HB2  LEU  14           HB3      LEU  14   6.673   3.089   2.488
  110    HB3  LEU  14           HB2      LEU  14   6.594   4.718   1.863
  111    HG   LEU  14           HG       LEU  14   4.804   5.231   3.501
  112   HD11  LEU  14          HD11      LEU  14   4.458   3.668   5.377
  113   HD12  LEU  14          HD12      LEU  14   5.408   2.458   4.515
  114   HD13  LEU  14          HD13      LEU  14   3.881   3.025   3.840
  115   HD21  LEU  14          HD21      LEU  14   7.137   5.750   3.989
  116   HD22  LEU  14          HD22      LEU  14   7.354   4.145   4.687
  117   HD23  LEU  14          HD23      LEU  14   6.264   5.300   5.454
  118    H    SER  15           H        SER  15   5.185   5.505  -0.222
  119    HA   SER  15           HA       SER  15   3.183   7.191   0.730
  120    HB2  SER  15           HB3      SER  15   5.035   7.843  -0.822
  121    HB3  SER  15           HB2      SER  15   4.187   7.011  -2.123
  122    HG   SER  15           HG       SER  15   3.113   9.156  -0.597
  123    H    LYS  16           H        LYS  16   3.053   4.787  -1.909
  124    HA   LYS  16           HA       LYS  16   0.299   5.316  -2.444
  125    HB2  LYS  16           HB3      LYS  16   2.060   4.180  -4.001
  126    HB3  LYS  16           HB2      LYS  16   1.609   2.706  -3.157
  127    HG2  LYS  16           HG3      LYS  16  -0.784   3.220  -3.781
  128    HG3  LYS  16           HG2      LYS  16  -0.148   4.483  -4.835
  129    HD2  LYS  16           HD3      LYS  16  -0.404   2.676  -6.264
  130    HD3  LYS  16           HD2      LYS  16   1.304   2.606  -5.838
  131    HE2  LYS  16           HE3      LYS  16   0.868   0.874  -4.211
  132    HE3  LYS  16           HE2      LYS  16  -0.867   1.002  -4.491
  133    HZ1  LYS  16           HZ1      LYS  16   1.163   0.093  -6.455
  134    HZ2  LYS  16           HZ2      LYS  16  -0.482   0.287  -6.783
  135    HZ3  LYS  16           HZ3      LYS  16   0.023  -0.874  -5.667
  136    H    ASN  17           H        ASN  17   2.044   2.883  -0.546
  137    HA   ASN  17           HA       ASN  17  -0.049   1.235   0.218
  138    HB2  ASN  17           HB3      ASN  17   2.390   0.955   0.767
  139    HB3  ASN  17           HB2      ASN  17   2.197   2.168   2.023
  140   HD21  ASN  17          HD21      ASN  17   3.048  -0.559   2.341
  141   HD22  ASN  17          HD22      ASN  17   1.906  -1.324   3.376
  142    H    TYR  18           H        TYR  18   1.036   4.267   1.727
  143    HA   TYR  18           HA       TYR  18  -0.781   4.498   3.771
  144    HB2  TYR  18           HB3      TYR  18   1.217   5.958   3.195
  145    HB3  TYR  18           HB2      TYR  18   0.170   6.777   2.040
  146    HD1  TYR  18           HD1      TYR  18  -1.247   8.499   2.742
  147    HD2  TYR  18           HD2      TYR  18   0.518   5.915   5.609
  148    HE1  TYR  18           HE1      TYR  18  -2.076   9.938   4.540
  149    HE2  TYR  18           HE2      TYR  18  -0.299   7.338   7.412
  150    HH   TYR  18           HH       TYR  18  -1.015   9.650   7.774
  151    H    HIS  19           H        HIS  19  -1.157   5.262   0.345
  152    HA   HIS  19           HA       HIS  19  -3.636   6.601   0.533
  153    HB2  HIS  19           HB3      HIS  19  -2.445   5.031  -1.773
  154    HB3  HIS  19           HB2      HIS  19  -3.893   6.025  -1.888
  155    HD1  HIS  19           HD1      HIS  19  -1.431   6.646  -3.615
  156    HD2  HIS  19           HD2      HIS  19  -2.220   8.416   0.065
  157    HE1  HIS  19           HE1      HIS  19  -0.154   8.814  -3.616
  158    HE2  HIS  19           HE2      HIS  19  -0.759   9.928  -1.439
  159    H    LEU  20           H        LEU  20  -2.937   3.235  -0.407
  160    HA   LEU  20           HA       LEU  20  -5.646   2.528  -0.702
  161    HB2  LEU  20           HB3      LEU  20  -3.246   0.750  -0.238
  162    HB3  LEU  20           HB2      LEU  20  -4.854   0.160  -0.571
  163    HG   LEU  20           HG       LEU  20  -3.557   0.067  -2.586
  164   HD11  LEU  20          HD11      LEU  20  -4.997   1.182  -4.082
  165   HD12  LEU  20          HD12      LEU  20  -5.424   2.393  -2.872
  166   HD13  LEU  20          HD13      LEU  20  -5.967   0.729  -2.680
  167   HD21  LEU  20          HD21      LEU  20  -1.894   1.760  -2.103
  168   HD22  LEU  20          HD22      LEU  20  -3.114   3.020  -2.282
  169   HD23  LEU  20          HD23      LEU  20  -2.649   2.038  -3.672
  170    H    GLU  21           H        GLU  21  -3.447   2.303   2.035
  171    HA   GLU  21           HA       GLU  21  -5.015   0.754   3.737
  172    HB2  GLU  21           HB3      GLU  21  -2.664   1.386   4.167
  173    HB3  GLU  21           HB2      GLU  21  -3.183   3.031   4.495
  174    HG2  GLU  21           HG3      GLU  21  -2.882   2.044   6.591
  175    HG3  GLU  21           HG2      GLU  21  -4.623   2.059   6.330
  176    H    ASN  22           H        ASN  22  -5.050   4.252   3.193
  177    HA   ASN  22           HA       ASN  22  -7.080   4.673   5.191
  178    HB2  ASN  22           HB3      ASN  22  -5.690   6.466   3.224
  179    HB3  ASN  22           HB2      ASN  22  -7.107   7.029   4.105
  180   HD21  ASN  22          HD21      ASN  22  -3.765   6.123   4.321
  181   HD22  ASN  22          HD22      ASN  22  -3.517   6.678   5.944
  182    H    GLU  23           H        GLU  23  -6.992   4.175   1.741
  183    HA   GLU  23           HA       GLU  23  -9.654   5.065   1.258
  184    HB2  GLU  23           HB3      GLU  23  -7.801   3.308  -0.349
  185    HB3  GLU  23           HB2      GLU  23  -9.399   3.793  -0.905
  186    HG2  GLU  23           HG3      GLU  23  -8.711   6.157  -0.691
  187    HG3  GLU  23           HG2      GLU  23  -7.093   5.614  -0.259
  188    H    VAL  24           H        VAL  24  -8.204   1.946   2.049
  189    HA   VAL  24           HA       VAL  24 -10.454   0.316   1.808
  190    HB   VAL  24           HB       VAL  24  -8.199   0.185   3.824
  191   HG11  VAL  24          HG11      VAL  24 -10.302  -1.897   3.229
  192   HG12  VAL  24          HG12      VAL  24 -10.170  -0.961   4.719
  193   HG13  VAL  24          HG13      VAL  24  -8.904  -2.109   4.284
  194   HG21  VAL  24          HG21      VAL  24  -8.751  -1.307   1.267
  195   HG22  VAL  24          HG22      VAL  24  -7.457  -1.699   2.392
  196   HG23  VAL  24          HG23      VAL  24  -7.458  -0.145   1.558
  197    H    ALA  25           H        ALA  25  -9.308   2.187   4.605
  198    HA   ALA  25           HA       ALA  25 -11.318   1.578   6.411
  199    HB1  ALA  25           HB1      ALA  25 -10.685   3.602   7.592
  200    HB2  ALA  25           HB2      ALA  25  -9.852   4.201   6.157
  201    HB3  ALA  25           HB3      ALA  25  -9.254   2.766   6.990
  202    H    ARG  26           H        ARG  26 -11.255   4.160   3.984
  203    HA   ARG  26           HA       ARG  26 -13.643   5.426   4.706
  204    HB2  ARG  26           HB3      ARG  26 -12.053   6.456   3.173
  205    HB3  ARG  26           HB2      ARG  26 -12.333   5.187   1.989
  206    HG2  ARG  26           HG3      ARG  26 -14.641   5.924   1.726
  207    HG3  ARG  26           HG2      ARG  26 -14.383   7.182   2.935
  208    HD2  ARG  26           HD2      ARG  26 -12.721   8.239   1.517
  209    HD3  ARG  26           HD1      ARG  26 -12.880   6.946   0.329
  210    HE   ARG  26           HE       ARG  26 -15.399   8.133   0.776
  211   HH11  ARG  26          HH11      ARG  26 -12.307   8.859  -0.690
  212   HH12  ARG  26          HH12      ARG  26 -12.976   9.916  -1.892
  213   HH21  ARG  26          HH21      ARG  26 -16.288   9.537  -0.791
  214   HH22  ARG  26          HH22      ARG  26 -15.244  10.306  -1.944
  215    H    LEU  27           H        LEU  27 -13.028   2.947   2.229
  216    HA   LEU  27           HA       LEU  27 -15.727   2.655   1.470
  217    HB2  LEU  27           HB3      LEU  27 -13.465   0.676   1.232
  218    HB3  LEU  27           HB2      LEU  27 -14.990   0.586   0.367
  219    HG   LEU  27           HG       LEU  27 -12.992   2.819   0.070
  220   HD11  LEU  27          HD11      LEU  27 -12.096   0.711  -0.751
  221   HD12  LEU  27          HD12      LEU  27 -12.458   1.815  -2.075
  222   HD13  LEU  27          HD13      LEU  27 -13.545   0.471  -1.728
  223   HD21  LEU  27          HD21      LEU  27 -15.268   3.512  -0.421
  224   HD22  LEU  27          HD22      LEU  27 -15.479   2.121  -1.483
  225   HD23  LEU  27          HD23      LEU  27 -14.331   3.390  -1.910
  226    H    LYS  28           H        LYS  28 -13.976   1.386   4.182
  227    HA   LYS  28           HA       LYS  28 -15.590  -0.857   4.738
  228    HB2  LYS  28           HB3      LYS  28 -13.890   0.902   6.509
  229    HB3  LYS  28           HB2      LYS  28 -14.773  -0.482   7.130
  230    HG2  LYS  28           HG3      LYS  28 -12.730  -0.656   4.934
  231    HG3  LYS  28           HG2      LYS  28 -12.365  -0.885   6.644
  232    HD2  LYS  28           HD3      LYS  28 -14.078  -2.709   6.689
  233    HD3  LYS  28           HD2      LYS  28 -14.210  -2.541   4.921
  234    HE2  LYS  28           HE3      LYS  28 -11.845  -3.070   4.688
  235    HE3  LYS  28           HE2      LYS  28 -11.681  -3.181   6.437
  236    HZ1  LYS  28           HZ1      LYS  28 -13.373  -4.943   4.751
  237    HZ2  LYS  28           HZ2      LYS  28 -13.206  -5.047   6.430
  238    HZ3  LYS  28           HZ3      LYS  28 -11.881  -5.355   5.430
  239    H    LYS  29           H        LYS  29 -15.639   2.481   6.010
  240    HA   LYS  29           HA       LYS  29 -17.972   2.141   7.564
  241    HB2  LYS  29           HB3      LYS  29 -16.633   4.587   6.404
  242    HB3  LYS  29           HB2      LYS  29 -18.118   4.715   7.326
  243    HG2  LYS  29           HG3      LYS  29 -16.125   5.224   8.653
  244    HG3  LYS  29           HG2      LYS  29 -17.005   3.855   9.311
  245    HD2  LYS  29           HD3      LYS  29 -15.390   2.350   8.165
  246    HD3  LYS  29           HD2      LYS  29 -14.490   3.775   7.645
  247    HE2  LYS  29           HE3      LYS  29 -13.464   2.815   9.617
  248    HE3  LYS  29           HE2      LYS  29 -14.146   4.395   9.996
  249    HZ1  LYS  29           HZ1      LYS  29 -14.618   2.731  11.708
  250    HZ2  LYS  29           HZ2      LYS  29 -15.456   1.796  10.577
  251    HZ3  LYS  29           HZ3      LYS  29 -16.037   3.322  11.005
  252    H    LEU  30           H        LEU  30 -17.516   2.720   4.182
  253    HA   LEU  30           HA       LEU  30 -20.172   3.641   3.665
  254    HB2  LEU  30           HB3      LEU  30 -17.872   2.722   1.987
  255    HB3  LEU  30           HB2      LEU  30 -19.455   2.806   1.254
  256    HG   LEU  30           HG       LEU  30 -19.517   5.138   1.321
  257   HD11  LEU  30          HD11      LEU  30 -19.018   5.427   3.699
  258   HD12  LEU  30          HD12      LEU  30 -18.067   6.533   2.709
  259   HD13  LEU  30          HD13      LEU  30 -17.316   5.089   3.389
  260   HD21  LEU  30          HD21      LEU  30 -17.805   4.309  -0.216
  261   HD22  LEU  30          HD22      LEU  30 -16.592   4.479   1.053
  262   HD23  LEU  30          HD23      LEU  30 -17.409   5.903   0.420
  263    H    VAL  31           H        VAL  31 -18.550   0.510   3.026
  264    HA   VAL  31           HA       VAL  31 -20.898  -0.873   2.328
  265    HB   VAL  31           HB       VAL  31 -18.411  -2.038   3.595
  266   HG11  VAL  31          HG11      VAL  31 -20.291  -3.584   3.606
  267   HG12  VAL  31          HG12      VAL  31 -19.057  -4.107   2.461
  268   HG13  VAL  31          HG13      VAL  31 -20.527  -3.328   1.876
  269   HG21  VAL  31          HG21      VAL  31 -17.827  -0.746   1.631
  270   HG22  VAL  31          HG22      VAL  31 -19.059  -1.583   0.688
  271   HG23  VAL  31          HG23      VAL  31 -17.663  -2.470   1.300
  272    H    GLY  32           H        GLY  32 -19.524  -0.086   5.452
  273    HA2  GLY  32           HA3      GLY  32 -20.644  -0.219   7.515
  274    HA3  GLY  32           HA2      GLY  32 -21.816  -1.309   6.782
  275    H    GLU  33           H        GLU  33 -18.323  -1.533   6.621
  276    HA   GLU  33           HA       GLU  33 -18.535  -4.224   7.775
  277    HB2  GLU  33           HB3      GLU  33 -17.730  -3.974   5.402
  278    HB3  GLU  33           HB2      GLU  33 -16.336  -3.106   6.027
  279    HG2  GLU  33           HG3      GLU  33 -15.867  -5.468   5.528
  280    HG3  GLU  33           HG2      GLU  33 -15.590  -5.050   7.219
  281    H1   GLY   1           H1       GLY   1  19.587   4.456   6.135
  282    H2   GLY   1           H2       GLY   1  19.945   4.132   4.515
  283    H3   GLY   1           H3       GLY   1  21.153   4.002   5.686
  284    HA2  GLY   1           HA2      GLY   1  19.980   2.165   6.732
  285    HA3  GLY   1           HA3      GLY   1  18.741   2.294   5.493
  286    H    SER   2           H        SER   2  20.899   0.237   6.315
  287    HA   SER   2           HA       SER   2  22.622  -0.030   4.085
  288    HB2  SER   2           HB3      SER   2  21.718  -2.119   6.080
  289    HB3  SER   2           HB2      SER   2  23.102  -2.258   4.996
  290    HG   SER   2           HG       SER   2  24.123  -0.620   6.085
  291    H    MET   3           H        MET   3  22.599  -1.967   2.616
  292    HA   MET   3           HA       MET   3  20.378  -1.764   0.947
  293    HB2  MET   3           HB3      MET   3  22.523  -3.884   1.058
  294    HB3  MET   3           HB2      MET   3  21.339  -3.759  -0.235
  295    HG2  MET   3           HG3      MET   3  22.172  -1.520  -0.768
  296    HG3  MET   3           HG2      MET   3  23.373  -1.670   0.511
  297    HE1  MET   3           HE1      MET   3  25.285  -1.073  -1.216
  298    HE2  MET   3           HE2      MET   3  24.096  -0.933  -2.511
  299    HE3  MET   3           HE3      MET   3  25.536  -1.924  -2.739
  300    H    LYS   4           H        LYS   4  21.318  -4.583   2.929
  301    HA   LYS   4           HA       LYS   4  19.045  -6.107   2.318
  302    HB2  LYS   4           HB3      LYS   4  21.081  -7.084   3.265
  303    HB3  LYS   4           HB2      LYS   4  20.806  -6.224   4.773
  304    HG2  LYS   4           HG3      LYS   4  20.146  -8.536   4.991
  305    HG3  LYS   4           HG2      LYS   4  18.736  -7.488   5.112
  306    HD2  LYS   4           HD3      LYS   4  18.142  -9.357   3.750
  307    HD3  LYS   4           HD2      LYS   4  18.281  -7.950   2.698
  308    HE2  LYS   4           HE3      LYS   4  19.320  -9.840   1.630
  309    HE3  LYS   4           HE2      LYS   4  20.568  -8.685   2.092
  310    HZ1  LYS   4           HZ1      LYS   4  21.221 -10.942   2.618
  311    HZ2  LYS   4           HZ2      LYS   4  19.854 -11.152   3.586
  312    HZ3  LYS   4           HZ3      LYS   4  21.048 -10.041   4.035
  313    H    GLN   5           H        GLN   5  19.681  -3.847   4.953
  314    HA   GLN   5           HA       GLN   5  17.369  -4.258   6.456
  315    HB2  GLN   5           HB3      GLN   5  19.198  -2.910   7.296
  316    HB3  GLN   5           HB2      GLN   5  18.966  -1.730   6.013
  317    HG2  GLN   5           HG3      GLN   5  16.771  -1.173   6.927
  318    HG3  GLN   5           HG2      GLN   5  17.014  -2.346   8.218
  319   HE21  GLN   5          HE21      GLN   5  19.844  -1.708   8.509
  320   HE22  GLN   5          HE22      GLN   5  19.902  -0.181   9.318
  321    H    LEU   6           H        LEU   6  17.956  -2.069   3.729
  322    HA   LEU   6           HA       LEU   6  15.309  -1.002   3.732
  323    HB2  LEU   6           HB3      LEU   6  17.403  -1.010   1.553
  324    HB3  LEU   6           HB2      LEU   6  15.893  -0.128   1.478
  325    HG   LEU   6           HG       LEU   6  18.104   0.360   3.479
  326   HD11  LEU   6          HD11      LEU   6  18.447   2.439   2.269
  327   HD12  LEU   6          HD12      LEU   6  17.196   1.986   1.112
  328   HD13  LEU   6          HD13      LEU   6  18.687   1.050   1.210
  329   HD21  LEU   6          HD21      LEU   6  15.949   0.861   4.452
  330   HD22  LEU   6          HD22      LEU   6  15.486   1.783   3.022
  331   HD23  LEU   6          HD23      LEU   6  16.788   2.362   4.063
  332    H    GLU   7           H        GLU   7  16.856  -3.744   2.257
  333    HA   GLU   7           HA       GLU   7  14.918  -4.301   0.295
  334    HB2  GLU   7           HB3      GLU   7  17.124  -5.254   0.135
  335    HB3  GLU   7           HB2      GLU   7  16.949  -6.052   1.687
  336    HG2  GLU   7           HG3      GLU   7  15.260  -7.525   0.771
  337    HG3  GLU   7           HG2      GLU   7  15.370  -6.706  -0.804
  338    H    ASP   8           H        ASP   8  15.176  -5.136   3.701
  339    HA   ASP   8           HA       ASP   8  13.027  -6.988   3.750
  340    HB2  ASP   8           HB3      ASP   8  14.295  -5.280   5.884
  341    HB3  ASP   8           HB2      ASP   8  12.904  -6.301   6.227
  342    H    LYS   9           H        LYS   9  13.209  -3.531   4.454
  343    HA   LYS   9           HA       LYS   9  10.453  -3.213   5.051
  344    HB2  LYS   9           HB3      LYS   9  11.941  -0.917   3.863
  345    HB3  LYS   9           HB2      LYS   9  10.793  -0.946   5.195
  346    HG2  LYS   9           HG3      LYS   9  12.624  -2.274   6.454
  347    HG3  LYS   9           HG2      LYS   9  13.705  -1.598   5.237
  348    HD2  LYS   9           HD3      LYS   9  11.931  -0.052   7.126
  349    HD3  LYS   9           HD2      LYS   9  13.685  -0.191   7.213
  350    HE2  LYS   9           HE3      LYS   9  13.884   0.963   5.069
  351    HE3  LYS   9           HE2      LYS   9  12.130   1.080   4.965
  352    HZ1  LYS   9           HZ1      LYS   9  13.809   2.317   7.077
  353    HZ2  LYS   9           HZ2      LYS   9  12.128   2.448   6.946
  354    HZ3  LYS   9           HZ3      LYS   9  13.123   3.134   5.765
  355    H    VAL  10           H        VAL  10  12.251  -2.685   2.043
  356    HA   VAL  10           HA       VAL  10  10.180  -1.508   0.545
  357    HB   VAL  10           HB       VAL  10  12.578  -1.557  -0.158
  358   HG11  VAL  10          HG11      VAL  10  11.989  -4.370  -1.056
  359   HG12  VAL  10          HG12      VAL  10  13.008  -3.933   0.315
  360   HG13  VAL  10          HG13      VAL  10  13.481  -3.465  -1.318
  361   HG21  VAL  10          HG21      VAL  10  10.589  -2.579  -2.176
  362   HG22  VAL  10          HG22      VAL  10  12.126  -1.806  -2.556
  363   HG23  VAL  10          HG23      VAL  10  10.864  -0.896  -1.732
  364    H    GLU  11           H        GLU  11  11.015  -4.747   1.350
  365    HA   GLU  11           HA       GLU  11   9.095  -5.992  -0.402
  366    HB2  GLU  11           HB3      GLU  11  11.181  -7.124   0.300
  367    HB3  GLU  11           HB2      GLU  11  10.571  -7.180   1.948
  368    HG2  GLU  11           HG3      GLU  11   8.724  -8.586   1.243
  369    HG3  GLU  11           HG2      GLU  11   9.278  -8.497  -0.428
  370    H    GLU  12           H        GLU  12   9.268  -5.535   3.168
  371    HA   GLU  12           HA       GLU  12   6.843  -6.782   3.782
  372    HB2  GLU  12           HB3      GLU  12   8.473  -6.191   5.489
  373    HB3  GLU  12           HB2      GLU  12   8.220  -4.480   5.177
  374    HG2  GLU  12           HG3      GLU  12   5.893  -4.709   5.934
  375    HG3  GLU  12           HG2      GLU  12   6.196  -6.406   6.297
  376    H    LEU  13           H        LEU  13   7.474  -3.330   3.365
  377    HA   LEU  13           HA       LEU  13   4.926  -2.320   3.535
  378    HB2  LEU  13           HB3      LEU  13   7.101  -1.398   1.661
  379    HB3  LEU  13           HB2      LEU  13   5.706  -0.455   2.149
  380    HG   LEU  13           HG       LEU  13   7.916  -1.395   3.980
  381   HD11  LEU  13          HD11      LEU  13   7.269   1.329   2.876
  382   HD12  LEU  13          HD12      LEU  13   8.672   0.341   2.475
  383   HD13  LEU  13          HD13      LEU  13   8.485   0.990   4.103
  384   HD21  LEU  13          HD21      LEU  13   6.833   0.121   5.611
  385   HD22  LEU  13          HD22      LEU  13   5.844  -1.273   5.189
  386   HD23  LEU  13          HD23      LEU  13   5.482   0.307   4.495
  387    H    LEU  14           H        LEU  14   6.530  -3.573   0.619
  388    HA   LEU  14           HA       LEU  14   4.404  -3.057  -1.140
  389    HB2  LEU  14           HB3      LEU  14   6.658  -3.484  -1.944
  390    HB3  LEU  14           HB2      LEU  14   6.609  -5.113  -1.313
  391    HG   LEU  14           HG       LEU  14   4.801  -5.655  -2.923
  392   HD11  LEU  14          HD11      LEU  14   4.410  -4.101  -4.798
  393   HD12  LEU  14          HD12      LEU  14   5.356  -2.876  -3.954
  394   HD13  LEU  14          HD13      LEU  14   3.847  -3.464  -3.255
  395   HD21  LEU  14          HD21      LEU  14   7.134  -6.149  -3.440
  396   HD22  LEU  14          HD22      LEU  14   7.321  -4.544  -4.148
  397   HD23  LEU  14          HD23      LEU  14   6.234  -5.717  -4.893
  398    H    SER  15           H        SER  15   5.240  -5.916   0.797
  399    HA   SER  15           HA       SER  15   3.249  -7.626  -0.132
  400    HB2  SER  15           HB3      SER  15   5.125  -8.262   1.393
  401    HB3  SER  15           HB2      SER  15   4.289  -7.438   2.707
  402    HG   SER  15           HG       SER  15   3.214  -9.586   1.190
  403    H    LYS  16           H        LYS  16   3.122  -5.228   2.512
  404    HA   LYS  16           HA       LYS  16   0.384  -5.788   3.084
  405    HB2  LYS  16           HB3      LYS  16   2.153  -4.632   4.617
  406    HB3  LYS  16           HB2      LYS  16   1.676  -3.164   3.775
  407    HG2  LYS  16           HG3      LYS  16  -0.702  -3.701   4.432
  408    HG3  LYS  16           HG2      LYS  16  -0.039  -4.952   5.483
  409    HD2  LYS  16           HD3      LYS  16  -0.295  -3.137   6.907
  410    HD3  LYS  16           HD2      LYS  16   1.407  -3.053   6.457
  411    HE2  LYS  16           HE3      LYS  16   0.937  -1.332   4.835
  412    HE3  LYS  16           HE2      LYS  16  -0.795  -1.482   5.126
  413    HZ1  LYS  16           HZ1      LYS  16   1.232  -0.538   7.079
  414    HZ2  LYS  16           HZ2      LYS  16  -0.413  -0.749   7.412
  415    HZ3  LYS  16           HZ3      LYS  16   0.079   0.413   6.289
  416    H    ASN  17           H        ASN  17   2.069  -3.337   1.158
  417    HA   ASN  17           HA       ASN  17  -0.058  -1.720   0.417
  418    HB2  ASN  17           HB3      ASN  17   2.370  -1.410  -0.163
  419    HB3  ASN  17           HB2      ASN  17   2.175  -2.624  -1.419
  420   HD21  ASN  17          HD21      ASN  17   2.992   0.108  -1.756
  421   HD22  ASN  17          HD22      ASN  17   1.822   0.859  -2.772
  422    H    TYR  18           H        TYR  18   1.051  -4.737  -1.107
  423    HA   TYR  18           HA       TYR  18  -0.794  -5.001  -3.118
  424    HB2  TYR  18           HB3      TYR  18   1.230  -6.432  -2.565
  425    HB3  TYR  18           HB2      TYR  18   0.210  -7.262  -1.393
  426    HD1  TYR  18           HD1      TYR  18  -1.194  -9.006  -2.073
  427    HD2  TYR  18           HD2      TYR  18   0.495  -6.400  -4.965
  428    HE1  TYR  18           HE1      TYR  18  -2.033 -10.456  -3.859
  429    HE2  TYR  18           HE2      TYR  18  -0.333  -7.829  -6.754
  430    HH   TYR  18           HH       TYR  18  -1.012 -10.175  -7.096
  431    H    HIS  19           H        HIS  19  -1.111  -5.757   0.315
  432    HA   HIS  19           HA       HIS  19  -3.572  -7.128   0.166
  433    HB2  HIS  19           HB3      HIS  19  -2.374  -5.542   2.452
  434    HB3  HIS  19           HB2      HIS  19  -3.807  -6.553   2.587
  435    HD1  HIS  19           HD1      HIS  19  -1.305  -7.139   4.277
  436    HD2  HIS  19           HD2      HIS  19  -2.134  -8.923   0.617
  437    HE1  HIS  19           HE1      HIS  19   0.002  -9.287   4.257
  438    HE2  HIS  19           HE2      HIS  19  -0.643 -10.419   2.104
  439    H    LEU  20           H        LEU  20  -2.910  -3.754   1.090
  440    HA   LEU  20           HA       LEU  20  -5.622  -3.081   1.418
  441    HB2  LEU  20           HB3      LEU  20  -3.250  -1.276   0.924
  442    HB3  LEU  20           HB2      LEU  20  -4.861  -0.705   1.277
  443    HG   LEU  20           HG       LEU  20  -3.541  -0.593   3.276
  444   HD11  LEU  20          HD11      LEU  20  -4.947  -1.728   4.796
  445   HD12  LEU  20          HD12      LEU  20  -5.376  -2.943   3.592
  446   HD13  LEU  20          HD13      LEU  20  -5.941  -1.285   3.409
  447   HD21  LEU  20          HD21      LEU  20  -1.864  -2.262   2.773
  448   HD22  LEU  20          HD22      LEU  20  -3.063  -3.539   2.969
  449   HD23  LEU  20          HD23      LEU  20  -2.594  -2.549   4.352
  450    H    GLU  21           H        GLU  21  -3.466  -2.839  -1.350
  451    HA   GLU  21           HA       GLU  21  -5.074  -1.306  -3.030
  452    HB2  GLU  21           HB3      GLU  21  -2.719  -1.908  -3.489
  453    HB3  GLU  21           HB2      GLU  21  -3.223  -3.561  -3.809
  454    HG2  GLU  21           HG3      GLU  21  -2.956  -2.569  -5.910
  455    HG3  GLU  21           HG2      GLU  21  -4.693  -2.617  -5.627
  456    H    ASN  22           H        ASN  22  -5.054  -4.803  -2.484
  457    HA   ASN  22           HA       ASN  22  -7.107  -5.257  -4.450
  458    HB2  ASN  22           HB3      ASN  22  -5.667  -7.026  -2.498
  459    HB3  ASN  22           HB2      ASN  22  -7.089  -7.609  -3.359
  460   HD21  ASN  22          HD21      ASN  22  -3.764  -6.657  -3.623
  461   HD22  ASN  22          HD22      ASN  22  -3.534  -7.214  -5.248
  462    H    GLU  23           H        GLU  23  -6.979  -4.735  -1.006
  463    HA   GLU  23           HA       GLU  23  -9.621  -5.676  -0.484
  464    HB2  GLU  23           HB3      GLU  23  -7.776  -3.893   1.103
  465    HB3  GLU  23           HB2      GLU  23  -9.358  -4.405   1.678
  466    HG2  GLU  23           HG3      GLU  23  -8.637  -6.755   1.463
  467    HG3  GLU  23           HG2      GLU  23  -7.035  -6.191   0.996
  468    H    VAL  24           H        VAL  24  -8.223  -2.544  -1.303
  469    HA   VAL  24           HA       VAL  24 -10.489  -0.945  -1.028
  470    HB   VAL  24           HB       VAL  24  -8.269  -0.782  -3.080
  471   HG11  VAL  24          HG11      VAL  24 -10.391   1.272  -2.451
  472   HG12  VAL  24          HG12      VAL  24 -10.271   0.337  -3.941
  473   HG13  VAL  24          HG13      VAL  24  -9.012   1.502  -3.528
  474   HG21  VAL  24          HG21      VAL  24  -8.797   0.715  -0.521
  475   HG22  VAL  24          HG22      VAL  24  -7.523   1.109  -1.667
  476   HG23  VAL  24          HG23      VAL  24  -7.500  -0.439  -0.822
  477    H    ALA  25           H        ALA  25  -9.359  -2.796  -3.844
  478    HA   ALA  25           HA       ALA  25 -11.403  -2.222  -5.618
  479    HB1  ALA  25           HB1      ALA  25 -10.764  -4.243  -6.801
  480    HB2  ALA  25           HB2      ALA  25  -9.902  -4.825  -5.376
  481    HB3  ALA  25           HB3      ALA  25  -9.333  -3.386  -6.225
  482    H    ARG  26           H        ARG  26 -11.274  -4.797  -3.184
  483    HA   ARG  26           HA       ARG  26 -13.658  -6.093  -3.868
  484    HB2  ARG  26           HB3      ARG  26 -12.035  -7.102  -2.355
  485    HB3  ARG  26           HB2      ARG  26 -12.314  -5.835  -1.171
  486    HG2  ARG  26           HG3      ARG  26 -14.608  -6.600  -0.875
  487    HG3  ARG  26           HG2      ARG  26 -14.348  -7.858  -2.084
  488    HD2  ARG  26           HD2      ARG  26 -12.652  -8.884  -0.691
  489    HD3  ARG  26           HD1      ARG  26 -12.815  -7.592   0.498
  490    HE   ARG  26           HE       ARG  26 -15.319  -8.822   0.080
  491   HH11  ARG  26          HH11      ARG  26 -12.202  -9.492   1.522
  492   HH12  ARG  26          HH12      ARG  26 -12.847 -10.553   2.733
  493   HH21  ARG  26          HH21      ARG  26 -16.167 -10.229   1.666
  494   HH22  ARG  26          HH22      ARG  26 -15.096 -10.988   2.800
  495    H    LEU  27           H        LEU  27 -13.037  -3.601  -1.407
  496    HA   LEU  27           HA       LEU  27 -15.726  -3.344  -0.607
  497    HB2  LEU  27           HB3      LEU  27 -13.483  -1.336  -0.409
  498    HB3  LEU  27           HB2      LEU  27 -14.997  -1.258   0.476
  499    HG   LEU  27           HG       LEU  27 -12.973  -3.471   0.753
  500   HD11  LEU  27          HD11      LEU  27 -12.091  -1.348   1.560
  501   HD12  LEU  27          HD12      LEU  27 -12.420  -2.455   2.890
  502   HD13  LEU  27          HD13      LEU  27 -13.530  -1.127   2.556
  503   HD21  LEU  27          HD21      LEU  27 -15.231  -4.193   1.273
  504   HD22  LEU  27          HD22      LEU  27 -15.450  -2.804   2.337
  505   HD23  LEU  27          HD23      LEU  27 -14.278  -4.055   2.750
  506    H    LYS  28           H        LYS  28 -14.035  -2.054  -3.349
  507    HA   LYS  28           HA       LYS  28 -15.688   0.161  -3.889
  508    HB2  LYS  28           HB3      LYS  28 -13.989  -1.583  -5.676
  509    HB3  LYS  28           HB2      LYS  28 -14.896  -0.212  -6.292
  510    HG2  LYS  28           HG3      LYS  28 -12.827  -0.006  -4.121
  511    HG3  LYS  28           HG2      LYS  28 -12.486   0.225  -5.836
  512    HD2  LYS  28           HD3      LYS  28 -14.225   2.024  -5.863
  513    HD3  LYS  28           HD2      LYS  28 -14.331   1.858  -4.093
  514    HE2  LYS  28           HE3      LYS  28 -11.971   2.418  -3.894
  515    HE3  LYS  28           HE2      LYS  28 -11.830   2.532  -5.644
  516    HZ1  LYS  28           HZ1      LYS  28 -13.528   4.267  -3.937
  517    HZ2  LYS  28           HZ2      LYS  28 -13.372   4.381  -5.617
  518    HZ3  LYS  28           HZ3      LYS  28 -12.046   4.703  -4.623
  519    H    LYS  29           H        LYS  29 -15.703  -3.180  -5.153
  520    HA   LYS  29           HA       LYS  29 -18.064  -2.877  -6.671
  521    HB2  LYS  29           HB3      LYS  29 -16.683  -5.305  -5.523
  522    HB3  LYS  29           HB2      LYS  29 -18.178  -5.449  -6.428
  523    HG2  LYS  29           HG3      LYS  29 -16.193  -5.940  -7.775
  524    HG3  LYS  29           HG2      LYS  29 -17.101  -4.584  -8.427
  525    HD2  LYS  29           HD3      LYS  29 -15.488  -3.056  -7.301
  526    HD3  LYS  29           HD2      LYS  29 -14.562  -4.469  -6.796
  527    HE2  LYS  29           HE3      LYS  29 -13.579  -3.497  -8.785
  528    HE3  LYS  29           HE2      LYS  29 -14.250  -5.084  -9.156
  529    HZ1  LYS  29           HZ1      LYS  29 -14.770  -3.425 -10.853
  530    HZ2  LYS  29           HZ2      LYS  29 -15.598  -2.497  -9.708
  531    HZ3  LYS  29           HZ3      LYS  29 -16.171  -4.034 -10.129
  532    H    LEU  30           H        LEU  30 -17.554  -3.443  -3.295
  533    HA   LEU  30           HA       LEU  30 -20.190  -4.396  -2.738
  534    HB2  LEU  30           HB3      LEU  30 -17.876  -3.449  -1.095
  535    HB3  LEU  30           HB2      LEU  30 -19.448  -3.546  -0.337
  536    HG   LEU  30           HG       LEU  30 -19.487  -5.881  -0.400
  537   HD11  LEU  30          HD11      LEU  30 -19.019  -6.167  -2.785
  538   HD12  LEU  30          HD12      LEU  30 -18.039  -7.260  -1.807
  539   HD13  LEU  30          HD13      LEU  30 -17.317  -5.807  -2.499
  540   HD21  LEU  30          HD21      LEU  30 -17.759  -5.031   1.110
  541   HD22  LEU  30          HD22      LEU  30 -16.565  -5.190  -0.178
  542   HD23  LEU  30          HD23      LEU  30 -17.356  -6.625   0.472
  543    H    VAL  31           H        VAL  31 -18.600  -1.242  -2.132
  544    HA   VAL  31           HA       VAL  31 -20.957   0.111  -1.403
  545    HB   VAL  31           HB       VAL  31 -18.506   1.310  -2.708
  546   HG11  VAL  31          HG11      VAL  31 -20.410   2.830  -2.696
  547   HG12  VAL  31          HG12      VAL  31 -19.167   3.372  -1.569
  548   HG13  VAL  31          HG13      VAL  31 -20.616   2.573  -0.962
  549   HG21  VAL  31          HG21      VAL  31 -17.877   0.028  -0.751
  550   HG22  VAL  31          HG22      VAL  31 -19.107   0.853   0.208
  551   HG23  VAL  31          HG23      VAL  31 -17.731   1.755  -0.426
  552    H    GLY  32           H        GLY  32 -19.620  -0.656  -4.547
  553    HA2  GLY  32           HA3      GLY  32 -20.783  -0.551  -6.588
  554    HA3  GLY  32           HA2      GLY  32 -21.956   0.528  -5.839
  555    H    GLU  33           H        GLU  33 -18.464   0.797  -5.734
  556    HA   GLU  33           HA       GLU  33 -18.724   3.482  -6.893
  557    HB2  GLU  33           HB3      GLU  33 -17.882   3.254  -4.530
  558    HB3  GLU  33           HB2      GLU  33 -16.490   2.393  -5.168
  559    HG2  GLU  33           HG3      GLU  33 -16.037   4.761  -4.680
  560    HG3  GLU  33           HG2      GLU  33 -15.764   4.335  -6.368
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  25.743   5.885  -4.273
    2    H2   GLY   1           H2       GLY   1  26.649   5.675  -2.861
    3    H3   GLY   1           H3       GLY   1  25.001   6.040  -2.763
    4    HA2  GLY   1           HA2      GLY   1  26.140   3.550  -3.896
    5    HA3  GLY   1           HA3      GLY   1  25.425   3.702  -2.298
    6    H    SER   2           H        SER   2  24.222   1.843  -3.547
    7    HA   SER   2           HA       SER   2  22.149   2.825  -5.323
    8    HB2  SER   2           HB3      SER   2  22.397   0.035  -4.216
    9    HB3  SER   2           HB2      SER   2  21.605   0.547  -5.705
   10    HG   SER   2           HG       SER   2  23.943   1.359  -6.134
   11    H    MET   3           H        MET   3  22.516   2.953  -2.096
   12    HA   MET   3           HA       MET   3  20.121   1.944  -1.042
   13    HB2  MET   3           HB3      MET   3  21.712   4.347  -0.129
   14    HB3  MET   3           HB2      MET   3  20.441   3.569   0.799
   15    HG2  MET   3           HG3      MET   3  21.763   1.502   0.842
   16    HG3  MET   3           HG2      MET   3  23.050   2.327  -0.036
   17    HE1  MET   3           HE1      MET   3  23.585   0.824   2.686
   18    HE2  MET   3           HE2      MET   3  24.594   1.998   3.534
   19    HE3  MET   3           HE3      MET   3  24.831   1.713   1.811
   20    H    LYS   4           H        LYS   4  20.889   4.957  -2.657
   21    HA   LYS   4           HA       LYS   4  18.508   6.345  -2.199
   22    HB2  LYS   4           HB3      LYS   4  20.331   6.410  -4.608
   23    HB3  LYS   4           HB2      LYS   4  19.054   7.573  -4.292
   24    HG2  LYS   4           HG3      LYS   4  20.198   8.209  -2.199
   25    HG3  LYS   4           HG2      LYS   4  21.503   7.096  -2.606
   26    HD2  LYS   4           HD3      LYS   4  22.095   9.374  -3.230
   27    HD3  LYS   4           HD2      LYS   4  21.930   8.362  -4.665
   28    HE2  LYS   4           HE3      LYS   4  19.689   9.258  -5.047
   29    HE3  LYS   4           HE2      LYS   4  19.833  10.251  -3.597
   30    HZ1  LYS   4           HZ1      LYS   4  21.698  11.402  -4.636
   31    HZ2  LYS   4           HZ2      LYS   4  20.296  11.538  -5.570
   32    HZ3  LYS   4           HZ3      LYS   4  21.515  10.464  -6.032
   33    H    GLN   5           H        GLN   5  19.285   3.796  -4.491
   34    HA   GLN   5           HA       GLN   5  17.004   4.160  -6.152
   35    HB2  GLN   5           HB3      GLN   5  18.592   1.624  -5.718
   36    HB3  GLN   5           HB2      GLN   5  17.554   1.990  -7.086
   37    HG2  GLN   5           HG3      GLN   5  20.123   3.382  -6.376
   38    HG3  GLN   5           HG2      GLN   5  19.883   2.226  -7.683
   39   HE21  GLN   5          HE21      GLN   5  17.265   3.310  -8.394
   40   HE22  GLN   5          HE22      GLN   5  17.578   4.797  -9.217
   41    H    LEU   6           H        LEU   6  17.751   2.111  -3.392
   42    HA   LEU   6           HA       LEU   6  15.222   0.775  -3.406
   43    HB2  LEU   6           HB3      LEU   6  17.291   0.986  -1.211
   44    HB3  LEU   6           HB2      LEU   6  15.899  -0.078  -1.184
   45    HG   LEU   6           HG       LEU   6  18.211  -0.246  -3.124
   46   HD11  LEU   6          HD11      LEU   6  18.784  -0.959  -0.863
   47   HD12  LEU   6          HD12      LEU   6  18.729  -2.324  -1.977
   48   HD13  LEU   6          HD13      LEU   6  17.398  -2.050  -0.854
   49   HD21  LEU   6          HD21      LEU   6  15.755  -1.969  -2.833
   50   HD22  LEU   6          HD22      LEU   6  17.151  -2.348  -3.840
   51   HD23  LEU   6          HD23      LEU   6  16.162  -0.936  -4.203
   52    H    GLU   7           H        GLU   7  16.550   3.614  -1.864
   53    HA   GLU   7           HA       GLU   7  14.501   3.941   0.050
   54    HB2  GLU   7           HB3      GLU   7  16.837   4.960   0.074
   55    HB3  GLU   7           HB2      GLU   7  16.241   6.134  -1.087
   56    HG2  GLU   7           HG3      GLU   7  14.536   6.847   0.549
   57    HG3  GLU   7           HG2      GLU   7  15.243   5.714   1.726
   58    H    ASP   8           H        ASP   8  14.970   5.202  -3.234
   59    HA   ASP   8           HA       ASP   8  12.767   6.924  -3.325
   60    HB2  ASP   8           HB3      ASP   8  14.472   5.580  -5.289
   61    HB3  ASP   8           HB2      ASP   8  12.825   5.817  -5.859
   62    H    LYS   9           H        LYS   9  12.998   3.474  -4.013
   63    HA   LYS   9           HA       LYS   9  10.239   3.129  -4.662
   64    HB2  LYS   9           HB3      LYS   9  11.787   0.863  -3.477
   65    HB3  LYS   9           HB2      LYS   9  10.597   0.853  -4.772
   66    HG2  LYS   9           HG3      LYS   9  12.265   2.086  -6.198
   67    HG3  LYS   9           HG2      LYS   9  13.460   1.741  -4.946
   68    HD2  LYS   9           HD3      LYS   9  11.859  -0.301  -6.485
   69    HD3  LYS   9           HD2      LYS   9  13.556   0.093  -6.748
   70    HE2  LYS   9           HE3      LYS   9  14.093  -0.683  -4.500
   71    HE3  LYS   9           HE2      LYS   9  12.392  -1.041  -4.210
   72    HZ1  LYS   9           HZ1      LYS   9  12.463  -2.673  -5.980
   73    HZ2  LYS   9           HZ2      LYS   9  13.626  -3.027  -4.808
   74    HZ3  LYS   9           HZ3      LYS   9  14.094  -2.327  -6.274
   75    H    VAL  10           H        VAL  10  12.045   2.698  -1.645
   76    HA   VAL  10           HA       VAL  10   9.986   1.450  -0.173
   77    HB   VAL  10           HB       VAL  10  12.463   1.649   0.481
   78   HG11  VAL  10          HG11      VAL  10  12.577   4.114   0.376
   79   HG12  VAL  10          HG12      VAL  10  13.101   3.457   1.926
   80   HG13  VAL  10          HG13      VAL  10  11.505   4.193   1.772
   81   HG21  VAL  10          HG21      VAL  10  11.926   1.492   2.876
   82   HG22  VAL  10          HG22      VAL  10  10.837   0.541   1.872
   83   HG23  VAL  10          HG23      VAL  10  10.302   2.084   2.533
   84    H    GLU  11           H        GLU  11  10.749   4.708  -0.978
   85    HA   GLU  11           HA       GLU  11   8.754   5.903   0.727
   86    HB2  GLU  11           HB3      GLU  11  10.342   7.016  -1.580
   87    HB3  GLU  11           HB2      GLU  11   9.179   7.962  -0.663
   88    HG2  GLU  11           HG3      GLU  11  10.511   7.395   1.393
   89    HG3  GLU  11           HG2      GLU  11  11.739   6.738   0.313
   90    H    GLU  12           H        GLU  12   8.963   5.368  -2.815
   91    HA   GLU  12           HA       GLU  12   6.518   6.452  -3.543
   92    HB2  GLU  12           HB3      GLU  12   8.268   5.700  -5.113
   93    HB3  GLU  12           HB2      GLU  12   7.894   4.028  -4.722
   94    HG2  GLU  12           HG3      GLU  12   6.869   4.544  -6.798
   95    HG3  GLU  12           HG2      GLU  12   5.596   4.410  -5.586
   96    H    LEU  13           H        LEU  13   7.172   3.016  -3.049
   97    HA   LEU  13           HA       LEU  13   4.602   2.034  -3.085
   98    HB2  LEU  13           HB3      LEU  13   6.934   1.044  -1.447
   99    HB3  LEU  13           HB2      LEU  13   5.481   0.125  -1.792
  100    HG   LEU  13           HG       LEU  13   7.442   1.095  -3.875
  101   HD11  LEU  13          HD11      LEU  13   8.082  -1.259  -4.061
  102   HD12  LEU  13          HD12      LEU  13   7.026  -1.649  -2.705
  103   HD13  LEU  13          HD13      LEU  13   8.430  -0.613  -2.458
  104   HD21  LEU  13          HD21      LEU  13   5.060  -0.744  -4.084
  105   HD22  LEU  13          HD22      LEU  13   6.204  -0.392  -5.378
  106   HD23  LEU  13          HD23      LEU  13   5.176   0.889  -4.740
  107    H    LEU  14           H        LEU  14   6.405   3.238  -0.256
  108    HA   LEU  14           HA       LEU  14   4.444   2.627   1.653
  109    HB2  LEU  14           HB3      LEU  14   6.712   3.117   2.321
  110    HB3  LEU  14           HB2      LEU  14   6.598   4.742   1.684
  111    HG   LEU  14           HG       LEU  14   4.861   5.244   3.400
  112   HD11  LEU  14          HD11      LEU  14   5.628   2.533   4.471
  113   HD12  LEU  14          HD12      LEU  14   4.058   2.990   3.815
  114   HD13  LEU  14          HD13      LEU  14   4.635   3.726   5.307
  115   HD21  LEU  14          HD21      LEU  14   7.523   4.283   4.437
  116   HD22  LEU  14          HD22      LEU  14   6.434   5.393   5.268
  117   HD23  LEU  14          HD23      LEU  14   7.184   5.869   3.746
  118    H    SER  15           H        SER  15   5.015   5.598  -0.244
  119    HA   SER  15           HA       SER  15   2.942   7.111   0.873
  120    HB2  SER  15           HB3      SER  15   4.689   7.993  -0.680
  121    HB3  SER  15           HB2      SER  15   3.882   7.160  -2.006
  122    HG   SER  15           HG       SER  15   2.868   9.017  -2.134
  123    H    LYS  16           H        LYS  16   2.933   4.823  -1.844
  124    HA   LYS  16           HA       LYS  16   0.185   5.134  -2.462
  125    HB2  LYS  16           HB3      LYS  16   1.820   4.161  -4.037
  126    HB3  LYS  16           HB2      LYS  16   2.005   2.771  -2.977
  127    HG2  LYS  16           HG3      LYS  16  -0.364   2.210  -3.328
  128    HG3  LYS  16           HG2      LYS  16  -0.505   3.581  -4.428
  129    HD2  LYS  16           HD3      LYS  16   1.073   2.595  -5.954
  130    HD3  LYS  16           HD2      LYS  16   1.429   1.295  -4.815
  131    HE2  LYS  16           HE3      LYS  16  -0.937   0.560  -5.000
  132    HE3  LYS  16           HE2      LYS  16  -1.188   1.786  -6.240
  133    HZ1  LYS  16           HZ1      LYS  16  -0.718  -0.509  -7.061
  134    HZ2  LYS  16           HZ2      LYS  16   0.861  -0.338  -6.472
  135    HZ3  LYS  16           HZ3      LYS  16   0.298   0.696  -7.684
  136    H    ASN  17           H        ASN  17   1.974   2.881  -0.422
  137    HA   ASN  17           HA       ASN  17  -0.041   1.181   0.411
  138    HB2  ASN  17           HB3      ASN  17   2.344   0.899   0.980
  139    HB3  ASN  17           HB2      ASN  17   2.257   2.299   2.037
  140   HD21  ASN  17          HD21      ASN  17   1.508  -1.083   1.707
  141   HD22  ASN  17          HD22      ASN  17   0.986  -1.314   3.333
  142    H    TYR  18           H        TYR  18   0.990   4.234   1.926
  143    HA   TYR  18           HA       TYR  18  -0.887   4.311   3.958
  144    HB2  TYR  18           HB3      TYR  18   1.163   5.896   3.198
  145    HB3  TYR  18           HB2      TYR  18  -0.204   6.899   2.717
  146    HD1  TYR  18           HD1      TYR  18   1.555   5.357   5.519
  147    HD2  TYR  18           HD2      TYR  18  -1.705   7.834   4.379
  148    HE1  TYR  18           HE1      TYR  18   1.286   6.058   7.847
  149    HE2  TYR  18           HE2      TYR  18  -1.984   8.548   6.714
  150    HH   TYR  18           HH       TYR  18   0.357   7.906   9.120
  151    H    HIS  19           H        HIS  19  -1.088   5.585   0.659
  152    HA   HIS  19           HA       HIS  19  -3.612   6.797   0.916
  153    HB2  HIS  19           HB3      HIS  19  -2.017   5.837  -1.435
  154    HB3  HIS  19           HB2      HIS  19  -3.665   6.410  -1.660
  155    HD1  HIS  19           HD1      HIS  19  -3.690   8.760  -2.375
  156    HD2  HIS  19           HD2      HIS  19  -0.531   7.994   0.208
  157    HE1  HIS  19           HE1      HIS  19  -2.484  10.950  -2.120
  158    HE2  HIS  19           HE2      HIS  19  -0.683  10.499  -0.414
  159    H    LEU  20           H        LEU  20  -2.693   3.543  -0.173
  160    HA   LEU  20           HA       LEU  20  -5.290   2.679  -0.814
  161    HB2  LEU  20           HB3      LEU  20  -2.946   1.039   0.143
  162    HB3  LEU  20           HB2      LEU  20  -4.408   0.395  -0.573
  163    HG   LEU  20           HG       LEU  20  -2.454   2.209  -1.985
  164   HD11  LEU  20          HD11      LEU  20  -1.879   0.219  -3.272
  165   HD12  LEU  20          HD12      LEU  20  -2.945  -0.747  -2.254
  166   HD13  LEU  20          HD13      LEU  20  -1.510   0.011  -1.561
  167   HD21  LEU  20          HD21      LEU  20  -4.723   2.495  -2.805
  168   HD22  LEU  20          HD22      LEU  20  -4.895   0.750  -2.985
  169   HD23  LEU  20          HD23      LEU  20  -3.744   1.630  -3.990
  170    H    GLU  21           H        GLU  21  -3.452   2.508   2.212
  171    HA   GLU  21           HA       GLU  21  -5.287   0.948   3.649
  172    HB2  GLU  21           HB3      GLU  21  -2.839   1.860   4.226
  173    HB3  GLU  21           HB2      GLU  21  -3.773   3.086   5.075
  174    HG2  GLU  21           HG3      GLU  21  -4.957   1.223   6.266
  175    HG3  GLU  21           HG2      GLU  21  -3.777   0.119   5.556
  176    H    ASN  22           H        ASN  22  -5.054   4.424   3.133
  177    HA   ASN  22           HA       ASN  22  -7.113   5.151   4.939
  178    HB2  ASN  22           HB3      ASN  22  -5.945   6.600   2.559
  179    HB3  ASN  22           HB2      ASN  22  -7.161   7.304   3.620
  180   HD21  ASN  22          HD21      ASN  22  -4.490   8.244   3.120
  181   HD22  ASN  22          HD22      ASN  22  -3.673   8.238   4.640
  182    H    GLU  23           H        GLU  23  -7.084   4.300   1.523
  183    HA   GLU  23           HA       GLU  23  -9.824   4.957   1.092
  184    HB2  GLU  23           HB3      GLU  23  -7.932   3.201  -0.472
  185    HB3  GLU  23           HB2      GLU  23  -9.569   3.581  -0.990
  186    HG2  GLU  23           HG3      GLU  23  -7.291   5.505  -0.608
  187    HG3  GLU  23           HG2      GLU  23  -8.043   5.021  -2.127
  188    H    VAL  24           H        VAL  24  -8.102   2.022   2.031
  189    HA   VAL  24           HA       VAL  24 -10.202   0.198   1.885
  190    HB   VAL  24           HB       VAL  24  -7.991   0.330   3.955
  191   HG11  VAL  24          HG11      VAL  24  -8.454  -2.052   4.335
  192   HG12  VAL  24          HG12      VAL  24  -9.845  -1.946   3.255
  193   HG13  VAL  24          HG13      VAL  24  -9.832  -1.038   4.768
  194   HG21  VAL  24          HG21      VAL  24  -8.238  -1.243   1.392
  195   HG22  VAL  24          HG22      VAL  24  -6.921  -1.381   2.558
  196   HG23  VAL  24          HG23      VAL  24  -7.165   0.127   1.675
  197    H    ALA  25           H        ALA  25  -9.176   2.119   4.727
  198    HA   ALA  25           HA       ALA  25 -11.339   1.531   6.389
  199    HB1  ALA  25           HB1      ALA  25 -10.745   3.554   7.622
  200    HB2  ALA  25           HB2      ALA  25  -9.737   4.081   6.275
  201    HB3  ALA  25           HB3      ALA  25  -9.311   2.629   7.178
  202    H    ARG  26           H        ARG  26 -10.970   4.121   4.005
  203    HA   ARG  26           HA       ARG  26 -13.287   5.568   4.422
  204    HB2  ARG  26           HB3      ARG  26 -11.531   6.252   2.877
  205    HB3  ARG  26           HB2      ARG  26 -11.888   4.890   1.829
  206    HG2  ARG  26           HG3      ARG  26 -14.143   5.859   1.439
  207    HG3  ARG  26           HG2      ARG  26 -13.641   7.275   2.370
  208    HD2  ARG  26           HD2      ARG  26 -11.770   7.602   0.787
  209    HD3  ARG  26           HD1      ARG  26 -12.368   6.246  -0.166
  210    HE   ARG  26           HE       ARG  26 -14.404   8.173   0.208
  211   HH11  ARG  26          HH11      ARG  26 -11.474   7.574  -1.632
  212   HH12  ARG  26          HH12      ARG  26 -11.934   8.646  -2.922
  213   HH21  ARG  26          HH21      ARG  26 -15.003   9.562  -1.488
  214   HH22  ARG  26          HH22      ARG  26 -13.943   9.766  -2.846
  215    H    LEU  27           H        LEU  27 -12.821   2.875   2.153
  216    HA   LEU  27           HA       LEU  27 -15.512   2.779   1.329
  217    HB2  LEU  27           HB3      LEU  27 -13.310   0.725   1.168
  218    HB3  LEU  27           HB2      LEU  27 -14.864   0.567   0.366
  219    HG   LEU  27           HG       LEU  27 -12.986   2.864  -0.131
  220   HD11  LEU  27          HD11      LEU  27 -13.292   0.319  -1.704
  221   HD12  LEU  27          HD12      LEU  27 -11.890   0.781  -0.739
  222   HD13  LEU  27          HD13      LEU  27 -12.323   1.717  -2.169
  223   HD21  LEU  27          HD21      LEU  27 -14.324   3.137  -2.168
  224   HD22  LEU  27          HD22      LEU  27 -15.303   3.303  -0.713
  225   HD23  LEU  27          HD23      LEU  27 -15.366   1.812  -1.651
  226    H    LYS  28           H        LYS  28 -13.878   1.281   4.042
  227    HA   LYS  28           HA       LYS  28 -15.844  -0.685   4.581
  228    HB2  LYS  28           HB3      LYS  28 -13.770   0.636   6.330
  229    HB3  LYS  28           HB2      LYS  28 -14.874  -0.583   6.944
  230    HG2  LYS  28           HG3      LYS  28 -13.980  -2.196   5.319
  231    HG3  LYS  28           HG2      LYS  28 -12.858  -0.962   4.739
  232    HD2  LYS  28           HD3      LYS  28 -11.753  -0.874   6.862
  233    HD3  LYS  28           HD2      LYS  28 -12.986  -1.927   7.596
  234    HE2  LYS  28           HE3      LYS  28 -12.292  -3.737   6.075
  235    HE3  LYS  28           HE2      LYS  28 -11.034  -2.691   5.420
  236    HZ1  LYS  28           HZ1      LYS  28 -11.238  -3.588   8.241
  237    HZ2  LYS  28           HZ2      LYS  28 -10.029  -2.589   7.615
  238    HZ3  LYS  28           HZ3      LYS  28 -10.157  -4.191   7.091
  239    H    LYS  29           H        LYS  29 -15.291   2.567   5.942
  240    HA   LYS  29           HA       LYS  29 -17.683   2.493   7.487
  241    HB2  LYS  29           HB3      LYS  29 -17.235   4.771   8.047
  242    HB3  LYS  29           HB2      LYS  29 -15.714   3.893   8.055
  243    HG2  LYS  29           HG3      LYS  29 -15.218   4.803   5.815
  244    HG3  LYS  29           HG2      LYS  29 -16.707   5.750   5.907
  245    HD2  LYS  29           HD3      LYS  29 -15.825   6.743   8.031
  246    HD3  LYS  29           HD2      LYS  29 -14.291   5.942   7.694
  247    HE2  LYS  29           HE3      LYS  29 -14.128   8.194   6.920
  248    HE3  LYS  29           HE2      LYS  29 -14.224   7.142   5.510
  249    HZ1  LYS  29           HZ1      LYS  29 -15.630   9.061   5.228
  250    HZ2  LYS  29           HZ2      LYS  29 -16.445   8.732   6.667
  251    HZ3  LYS  29           HZ3      LYS  29 -16.596   7.679   5.356
  252    H    LEU  30           H        LEU  30 -17.261   2.724   4.211
  253    HA   LEU  30           HA       LEU  30 -19.708   4.270   3.818
  254    HB2  LEU  30           HB3      LEU  30 -17.787   2.989   1.878
  255    HB3  LEU  30           HB2      LEU  30 -19.282   3.756   1.381
  256    HG   LEU  30           HG       LEU  30 -17.007   5.152   2.796
  257   HD11  LEU  30          HD11      LEU  30 -17.881   5.219  -0.090
  258   HD12  LEU  30          HD12      LEU  30 -16.386   4.523   0.538
  259   HD13  LEU  30          HD13      LEU  30 -16.657   6.262   0.634
  260   HD21  LEU  30          HD21      LEU  30 -18.248   7.196   2.206
  261   HD22  LEU  30          HD22      LEU  30 -19.146   6.161   3.316
  262   HD23  LEU  30          HD23      LEU  30 -19.572   6.197   1.605
  263    H    VAL  31           H        VAL  31 -18.493   1.028   2.898
  264    HA   VAL  31           HA       VAL  31 -21.039   0.084   2.121
  265    HB   VAL  31           HB       VAL  31 -18.877  -0.831   1.304
  266   HG11  VAL  31          HG11      VAL  31 -17.644  -0.946   3.382
  267   HG12  VAL  31          HG12      VAL  31 -17.722  -2.540   2.632
  268   HG13  VAL  31          HG13      VAL  31 -18.763  -2.159   4.004
  269   HG21  VAL  31          HG21      VAL  31 -19.610  -3.175   1.242
  270   HG22  VAL  31          HG22      VAL  31 -20.924  -2.044   0.920
  271   HG23  VAL  31          HG23      VAL  31 -20.792  -2.818   2.499
  272    H    GLY  32           H        GLY  32 -19.396   0.059   5.245
  273    HA2  GLY  32           HA3      GLY  32 -21.427  -1.812   6.260
  274    HA3  GLY  32           HA2      GLY  32 -19.885  -1.469   7.028
  275    H    GLU  33           H        GLU  33 -21.670   1.211   5.816
  276    HA   GLU  33           HA       GLU  33 -22.508   1.845   8.565
  277    HB2  GLU  33           HB3      GLU  33 -20.537   3.166   7.664
  278    HB3  GLU  33           HB2      GLU  33 -21.647   3.864   6.495
  279    HG2  GLU  33           HG3      GLU  33 -21.287   5.334   8.404
  280    HG3  GLU  33           HG2      GLU  33 -22.969   4.823   8.277
  281    H1   GLY   1           H1       GLY   1  25.900  -5.988   4.459
  282    H2   GLY   1           H2       GLY   1  26.768  -5.759   3.027
  283    H3   GLY   1           H3       GLY   1  25.123  -6.144   2.968
  284    HA2  GLY   1           HA2      GLY   1  26.258  -3.647   4.089
  285    HA3  GLY   1           HA3      GLY   1  25.510  -3.797   2.506
  286    H    SER   2           H        SER   2  24.305  -1.963   3.781
  287    HA   SER   2           HA       SER   2  22.275  -2.975   5.587
  288    HB2  SER   2           HB3      SER   2  22.463  -0.183   4.470
  289    HB3  SER   2           HB2      SER   2  21.696  -0.704   5.967
  290    HG   SER   2           HG       SER   2  24.057  -1.482   6.359
  291    H    MET   3           H        MET   3  22.591  -3.081   2.346
  292    HA   MET   3           HA       MET   3  20.162  -2.120   1.333
  293    HB2  MET   3           HB3      MET   3  21.777  -4.497   0.400
  294    HB3  MET   3           HB2      MET   3  20.478  -3.742  -0.510
  295    HG2  MET   3           HG3      MET   3  21.769  -1.654  -0.581
  296    HG3  MET   3           HG2      MET   3  23.081  -2.460   0.276
  297    HE1  MET   3           HE1      MET   3  23.555  -0.952  -2.447
  298    HE2  MET   3           HE2      MET   3  24.562  -2.109  -3.316
  299    HE3  MET   3           HE3      MET   3  24.828  -1.827  -1.596
  300    H    LYS   4           H        LYS   4  21.003  -5.126   2.929
  301    HA   LYS   4           HA       LYS   4  18.633  -6.548   2.511
  302    HB2  LYS   4           HB3      LYS   4  20.499  -6.588   4.886
  303    HB3  LYS   4           HB2      LYS   4  19.233  -7.768   4.594
  304    HG2  LYS   4           HG3      LYS   4  20.342  -8.394   2.482
  305    HG3  LYS   4           HG2      LYS   4  21.640  -7.261   2.863
  306    HD2  LYS   4           HD3      LYS   4  22.278  -9.527   3.485
  307    HD3  LYS   4           HD2      LYS   4  22.120  -8.516   4.921
  308    HE2  LYS   4           HE3      LYS   4  19.904  -9.446   5.339
  309    HE3  LYS   4           HE2      LYS   4  20.033 -10.431   3.883
  310    HZ1  LYS   4           HZ1      LYS   4  21.935 -11.560   4.886
  311    HZ2  LYS   4           HZ2      LYS   4  20.546 -11.726   5.834
  312    HZ3  LYS   4           HZ3      LYS   4  21.755 -10.639   6.292
  313    H    GLN   5           H        GLN   5  19.410  -3.985   4.788
  314    HA   GLN   5           HA       GLN   5  17.160  -4.388   6.488
  315    HB2  GLN   5           HB3      GLN   5  18.709  -1.831   6.034
  316    HB3  GLN   5           HB2      GLN   5  17.692  -2.210   7.417
  317    HG2  GLN   5           HG3      GLN   5  20.272  -3.569   6.672
  318    HG3  GLN   5           HG2      GLN   5  20.036  -2.416   7.982
  319   HE21  GLN   5          HE21      GLN   5  17.449  -3.534   8.739
  320   HE22  GLN   5          HE22      GLN   5  17.793  -5.021   9.548
  321    H    LEU   6           H        LEU   6  17.834  -2.325   3.722
  322    HA   LEU   6           HA       LEU   6  15.285  -1.028   3.779
  323    HB2  LEU   6           HB3      LEU   6  17.320  -1.205   1.549
  324    HB3  LEU   6           HB2      LEU   6  15.914  -0.162   1.546
  325    HG   LEU   6           HG       LEU   6  18.256   0.040   3.448
  326   HD11  LEU   6          HD11      LEU   6  18.780   0.763   1.179
  327   HD12  LEU   6          HD12      LEU   6  18.722   2.128   2.296
  328   HD13  LEU   6          HD13      LEU   6  17.377   1.833   1.194
  329   HD21  LEU   6          HD21      LEU   6  15.770   1.725   3.199
  330   HD22  LEU   6          HD22      LEU   6  17.176   2.126   4.185
  331   HD23  LEU   6          HD23      LEU   6  16.214   0.698   4.562
  332    H    GLU   7           H        GLU   7  16.634  -3.843   2.205
  333    HA   GLU   7           HA       GLU   7  14.557  -4.198   0.330
  334    HB2  GLU   7           HB3      GLU   7  16.903  -5.187   0.262
  335    HB3  GLU   7           HB2      GLU   7  16.344  -6.365   1.438
  336    HG2  GLU   7           HG3      GLU   7  14.629  -7.120  -0.166
  337    HG3  GLU   7           HG2      GLU   7  15.283  -5.972  -1.358
  338    H    ASP   8           H        ASP   8  15.095  -5.466   3.603
  339    HA   ASP   8           HA       ASP   8  12.910  -7.203   3.725
  340    HB2  ASP   8           HB3      ASP   8  14.636  -5.854   5.662
  341    HB3  ASP   8           HB2      ASP   8  12.999  -6.098   6.259
  342    H    LYS   9           H        LYS   9  13.110  -3.754   4.418
  343    HA   LYS   9           HA       LYS   9  10.357  -3.451   5.111
  344    HB2  LYS   9           HB3      LYS   9  11.854  -1.162   3.906
  345    HB3  LYS   9           HB2      LYS   9  10.685  -1.170   5.219
  346    HG2  LYS   9           HG3      LYS   9  12.394  -2.384   6.616
  347    HG3  LYS   9           HG2      LYS   9  13.563  -2.020   5.347
  348    HD2  LYS   9           HD3      LYS   9  11.957  -0.007   6.914
  349    HD3  LYS   9           HD2      LYS   9  13.665  -0.374   7.149
  350    HE2  LYS   9           HE3      LYS   9  14.148   0.406   4.888
  351    HE3  LYS   9           HE2      LYS   9  12.438   0.747   4.634
  352    HZ1  LYS   9           HZ1      LYS   9  12.533   2.371   6.414
  353    HZ2  LYS   9           HZ2      LYS   9  13.652   2.744   5.207
  354    HZ3  LYS   9           HZ3      LYS   9  14.178   2.051   6.657
  355    H    VAL  10           H        VAL  10  12.109  -2.991   2.065
  356    HA   VAL  10           HA       VAL  10  10.008  -1.773   0.626
  357    HB   VAL  10           HB       VAL  10  12.478  -1.937  -0.065
  358   HG11  VAL  10          HG11      VAL  10  12.629  -4.401   0.034
  359   HG12  VAL  10          HG12      VAL  10  13.118  -3.735  -1.524
  360   HG13  VAL  10          HG13      VAL  10  11.536  -4.493  -1.347
  361   HG21  VAL  10          HG21      VAL  10  11.903  -1.786  -2.451
  362   HG22  VAL  10          HG22      VAL  10  10.813  -0.851  -1.429
  363   HG23  VAL  10          HG23      VAL  10  10.293  -2.402  -2.083
  364    H    GLU  11           H        GLU  11  10.831  -5.019   1.425
  365    HA   GLU  11           HA       GLU  11   8.833  -6.246  -0.257
  366    HB2  GLU  11           HB3      GLU  11  10.471  -7.336   2.026
  367    HB3  GLU  11           HB2      GLU  11   9.310  -8.299   1.125
  368    HG2  GLU  11           HG3      GLU  11  10.604  -7.711  -0.950
  369    HG3  GLU  11           HG2      GLU  11  11.838  -7.033   0.113
  370    H    GLU  12           H        GLU  12   9.090  -5.722   3.284
  371    HA   GLU  12           HA       GLU  12   6.668  -6.829   4.047
  372    HB2  GLU  12           HB3      GLU  12   8.436  -6.049   5.589
  373    HB3  GLU  12           HB2      GLU  12   8.019  -4.385   5.210
  374    HG2  GLU  12           HG3      GLU  12   7.042  -4.935   7.304
  375    HG3  GLU  12           HG2      GLU  12   5.745  -4.814   6.116
  376    H    LEU  13           H        LEU  13   7.268  -3.381   3.548
  377    HA   LEU  13           HA       LEU  13   4.683  -2.439   3.624
  378    HB2  LEU  13           HB3      LEU  13   6.974  -1.412   1.953
  379    HB3  LEU  13           HB2      LEU  13   5.513  -0.516   2.321
  380    HG   LEU  13           HG       LEU  13   7.520  -1.461   4.370
  381   HD11  LEU  13          HD11      LEU  13   8.126   0.903   4.555
  382   HD12  LEU  13          HD12      LEU  13   7.046   1.279   3.213
  383   HD13  LEU  13          HD13      LEU  13   8.463   0.265   2.945
  384   HD21  LEU  13          HD21      LEU  13   5.113   0.340   4.619
  385   HD22  LEU  13          HD22      LEU  13   6.285   0.010   5.895
  386   HD23  LEU  13          HD23      LEU  13   5.267  -1.289   5.274
  387    H    LEU  14           H        LEU  14   6.459  -3.618   0.768
  388    HA   LEU  14           HA       LEU  14   4.460  -3.025  -1.109
  389    HB2  LEU  14           HB3      LEU  14   6.720  -3.491  -1.818
  390    HB3  LEU  14           HB2      LEU  14   6.636  -5.116  -1.179
  391    HG   LEU  14           HG       LEU  14   4.879  -5.642  -2.867
  392   HD11  LEU  14          HD11      LEU  14   5.591  -2.919  -3.946
  393   HD12  LEU  14          HD12      LEU  14   4.038  -3.398  -3.265
  394   HD13  LEU  14          HD13      LEU  14   4.601  -4.123  -4.769
  395   HD21  LEU  14          HD21      LEU  14   7.509  -4.640  -3.948
  396   HD22  LEU  14          HD22      LEU  14   6.423  -5.765  -4.762
  397   HD23  LEU  14          HD23      LEU  14   7.207  -6.232  -3.253
  398    H    SER  15           H        SER  15   5.103  -5.995   0.769
  399    HA   SER  15           HA       SER  15   3.037  -7.536  -0.313
  400    HB2  SER  15           HB3      SER  15   4.827  -8.380   1.221
  401    HB3  SER  15           HB2      SER  15   4.007  -7.575   2.557
  402    HG   SER  15           HG       SER  15   3.033  -9.453   2.678
  403    H    LYS  16           H        LYS  16   3.034  -5.257   2.410
  404    HA   LYS  16           HA       LYS  16   0.301  -5.603   3.070
  405    HB2  LYS  16           HB3      LYS  16   1.945  -4.602   4.618
  406    HB3  LYS  16           HB2      LYS  16   2.095  -3.211   3.557
  407    HG2  LYS  16           HG3      LYS  16  -0.276  -2.685   3.945
  408    HG3  LYS  16           HG2      LYS  16  -0.379  -4.061   5.045
  409    HD2  LYS  16           HD3      LYS  16   1.208  -3.052   6.545
  410    HD3  LYS  16           HD2      LYS  16   1.526  -1.745   5.402
  411    HE2  LYS  16           HE3      LYS  16  -0.850  -1.052   5.627
  412    HE3  LYS  16           HE2      LYS  16  -1.058  -2.280   6.872
  413    HZ1  LYS  16           HZ1      LYS  16  -0.614   0.018   7.685
  414    HZ2  LYS  16           HZ2      LYS  16   0.954  -0.119   7.063
  415    HZ3  LYS  16           HZ3      LYS  16   0.440  -1.164   8.286
  416    H    ASN  17           H        ASN  17   2.024  -3.324   0.998
  417    HA   ASN  17           HA       ASN  17  -0.031  -1.650   0.202
  418    HB2  ASN  17           HB3      ASN  17   2.340  -1.330  -0.408
  419    HB3  ASN  17           HB2      ASN  17   2.257  -2.732  -1.463
  420   HD21  ASN  17          HD21      ASN  17   1.469   0.637  -1.121
  421   HD22  ASN  17          HD22      ASN  17   0.911   0.863  -2.736
  422    H    TYR  18           H        TYR  18   1.025  -4.685  -1.329
  423    HA   TYR  18           HA       TYR  18  -0.883  -4.792  -3.331
  424    HB2  TYR  18           HB3      TYR  18   1.206  -6.344  -2.604
  425    HB3  TYR  18           HB2      TYR  18  -0.137  -7.369  -2.100
  426    HD1  TYR  18           HD1      TYR  18   1.555  -5.808  -4.929
  427    HD2  TYR  18           HD2      TYR  18  -1.656  -8.322  -3.739
  428    HE1  TYR  18           HE1      TYR  18   1.255  -6.512  -7.255
  429    HE2  TYR  18           HE2      TYR  18  -1.964  -9.036  -6.065
  430    HH   TYR  18           HH       TYR  18   0.316  -8.352  -8.524
  431    H    HIS  19           H        HIS  19  -1.014  -6.077  -0.032
  432    HA   HIS  19           HA       HIS  19  -3.528  -7.320  -0.248
  433    HB2  HIS  19           HB3      HIS  19  -1.909  -6.337   2.080
  434    HB3  HIS  19           HB2      HIS  19  -3.544  -6.937   2.328
  435    HD1  HIS  19           HD1      HIS  19  -3.539  -9.294   3.030
  436    HD2  HIS  19           HD2      HIS  19  -0.409  -8.467   0.422
  437    HE1  HIS  19           HE1      HIS  19  -2.285 -11.458   2.769
  438    HE2  HIS  19           HE2      HIS  19  -0.496 -10.969   1.064
  439    H    LEU  20           H        LEU  20  -2.632  -4.052   0.825
  440    HA   LEU  20           HA       LEU  20  -5.232  -3.228   1.513
  441    HB2  LEU  20           HB3      LEU  20  -2.931  -1.550   0.522
  442    HB3  LEU  20           HB2      LEU  20  -4.390  -0.929   1.263
  443    HG   LEU  20           HG       LEU  20  -2.383  -2.715   2.640
  444   HD11  LEU  20          HD11      LEU  20  -1.818  -0.717   3.921
  445   HD12  LEU  20          HD12      LEU  20  -2.916   0.234   2.924
  446   HD13  LEU  20          HD13      LEU  20  -1.483  -0.500   2.204
  447   HD21  LEU  20          HD21      LEU  20  -4.636  -3.036   3.498
  448   HD22  LEU  20          HD22      LEU  20  -4.828  -1.293   3.684
  449   HD23  LEU  20          HD23      LEU  20  -3.648  -2.158   4.666
  450    H    GLU  21           H        GLU  21  -3.442  -3.021  -1.540
  451    HA   GLU  21           HA       GLU  21  -5.329  -1.495  -2.946
  452    HB2  GLU  21           HB3      GLU  21  -2.878  -2.367  -3.566
  453    HB3  GLU  21           HB2      GLU  21  -3.806  -3.607  -4.397
  454    HG2  GLU  21           HG3      GLU  21  -5.041  -1.761  -5.564
  455    HG3  GLU  21           HG2      GLU  21  -3.862  -0.642  -4.880
  456    H    ASN  22           H        ASN  22  -5.031  -4.970  -2.449
  457    HA   ASN  22           HA       ASN  22  -7.112  -5.718  -4.219
  458    HB2  ASN  22           HB3      ASN  22  -5.886  -7.153  -1.863
  459    HB3  ASN  22           HB2      ASN  22  -7.105  -7.874  -2.908
  460   HD21  ASN  22          HD21      ASN  22  -4.423  -8.782  -2.454
  461   HD22  ASN  22          HD22      ASN  22  -3.623  -8.756  -3.986
  462    H    GLU  23           H        GLU  23  -7.045  -4.871  -0.798
  463    HA   GLU  23           HA       GLU  23  -9.767  -5.571  -0.320
  464    HB2  GLU  23           HB3      GLU  23  -7.875  -3.786   1.212
  465    HB3  GLU  23           HB2      GLU  23  -9.498  -4.188   1.756
  466    HG2  GLU  23           HG3      GLU  23  -7.198  -6.077   1.343
  467    HG3  GLU  23           HG2      GLU  23  -7.937  -5.607   2.872
  468    H    VAL  24           H        VAL  24  -8.105  -2.611  -1.288
  469    HA   VAL  24           HA       VAL  24 -10.226  -0.816  -1.104
  470    HB   VAL  24           HB       VAL  24  -8.048  -0.911  -3.208
  471   HG11  VAL  24          HG11      VAL  24  -8.550   1.464  -3.574
  472   HG12  VAL  24          HG12      VAL  24  -9.920   1.337  -2.471
  473   HG13  VAL  24          HG13      VAL  24  -9.921   0.434  -3.985
  474   HG21  VAL  24          HG21      VAL  24  -8.275   0.656  -0.641
  475   HG22  VAL  24          HG22      VAL  24  -6.979   0.811  -1.827
  476   HG23  VAL  24          HG23      VAL  24  -7.187  -0.700  -0.941
  477    H    ALA  25           H        ALA  25  -9.217  -2.717  -3.965
  478    HA   ALA  25           HA       ALA  25 -11.414  -2.155  -5.586
  479    HB1  ALA  25           HB1      ALA  25 -10.816  -4.166  -6.833
  480    HB2  ALA  25           HB2      ALA  25  -9.778  -4.686  -5.506
  481    HB3  ALA  25           HB3      ALA  25  -9.387  -3.224  -6.413
  482    H    ARG  26           H        ARG  26 -10.971  -4.744  -3.214
  483    HA   ARG  26           HA       ARG  26 -13.272  -6.225  -3.598
  484    HB2  ARG  26           HB3      ARG  26 -11.481  -6.883  -2.079
  485    HB3  ARG  26           HB2      ARG  26 -11.844  -5.527  -1.026
  486    HG2  ARG  26           HG3      ARG  26 -14.075  -6.527  -0.597
  487    HG3  ARG  26           HG2      ARG  26 -13.574  -7.933  -1.539
  488    HD2  ARG  26           HD2      ARG  26 -11.670  -8.244   0.008
  489    HD3  ARG  26           HD1      ARG  26 -12.267  -6.897   0.975
  490    HE   ARG  26           HE       ARG  26 -14.290  -8.845   0.639
  491   HH11  ARG  26          HH11      ARG  26 -11.328  -8.213   2.410
  492   HH12  ARG  26          HH12      ARG  26 -11.742  -9.295   3.710
  493   HH21  ARG  26          HH21      ARG  26 -14.831 -10.239   2.347
  494   HH22  ARG  26          HH22      ARG  26 -13.731 -10.447   3.671
  495    H    LEU  27           H        LEU  27 -12.810  -3.531  -1.328
  496    HA   LEU  27           HA       LEU  27 -15.487  -3.470  -0.461
  497    HB2  LEU  27           HB3      LEU  27 -13.313  -1.384  -0.336
  498    HB3  LEU  27           HB2      LEU  27 -14.855  -1.250   0.491
  499    HG   LEU  27           HG       LEU  27 -12.936  -3.519   0.953
  500   HD11  LEU  27          HD11      LEU  27 -13.253  -0.983   2.539
  501   HD12  LEU  27          HD12      LEU  27 -11.860  -1.422   1.551
  502   HD13  LEU  27          HD13      LEU  27 -12.257  -2.368   2.984
  503   HD21  LEU  27          HD21      LEU  27 -14.237  -3.817   3.011
  504   HD22  LEU  27          HD22      LEU  27 -15.237  -3.993   1.570
  505   HD23  LEU  27          HD23      LEU  27 -15.307  -2.505   2.514
  506    H    LYS  28           H        LYS  28 -13.920  -1.949  -3.200
  507    HA   LYS  28           HA       LYS  28 -15.922  -0.010  -3.707
  508    HB2  LYS  28           HB3      LYS  28 -13.858  -1.303  -5.489
  509    HB3  LYS  28           HB2      LYS  28 -14.989  -0.098  -6.083
  510    HG2  LYS  28           HG3      LYS  28 -14.092   1.519  -4.470
  511    HG3  LYS  28           HG2      LYS  28 -12.942   0.304  -3.911
  512    HD2  LYS  28           HD3      LYS  28 -11.869   0.238  -6.051
  513    HD3  LYS  28           HD2      LYS  28 -13.130   1.268  -6.764
  514    HE2  LYS  28           HE3      LYS  28 -12.447   3.090  -5.248
  515    HE3  LYS  28           HE2      LYS  28 -11.154   2.067  -4.625
  516    HZ1  LYS  28           HZ1      LYS  28 -11.437   2.981  -7.438
  517    HZ2  LYS  28           HZ2      LYS  28 -10.199   1.999  -6.849
  518    HZ3  LYS  28           HZ3      LYS  28 -10.339   3.591  -6.306
  519    H    LYS  29           H        LYS  29 -15.339  -3.244  -5.083
  520    HA   LYS  29           HA       LYS  29 -17.760  -3.210  -6.585
  521    HB2  LYS  29           HB3      LYS  29 -17.291  -5.481  -7.153
  522    HB3  LYS  29           HB2      LYS  29 -15.784  -4.584  -7.187
  523    HG2  LYS  29           HG3      LYS  29 -15.235  -5.489  -4.958
  524    HG3  LYS  29           HG2      LYS  29 -16.711  -6.457  -5.026
  525    HD2  LYS  29           HD3      LYS  29 -15.855  -7.436  -7.165
  526    HD3  LYS  29           HD2      LYS  29 -14.327  -6.611  -6.861
  527    HE2  LYS  29           HE3      LYS  29 -14.110  -8.859  -6.090
  528    HE3  LYS  29           HE2      LYS  29 -14.197  -7.808  -4.677
  529    HZ1  LYS  29           HZ1      LYS  29 -15.567  -9.750  -4.367
  530    HZ2  LYS  29           HZ2      LYS  29 -16.421  -9.432  -5.789
  531    HZ3  LYS  29           HZ3      LYS  29 -16.555  -8.383  -4.473
  532    H    LEU  30           H        LEU  30 -17.280  -3.438  -3.318
  533    HA   LEU  30           HA       LEU  30 -19.698  -5.015  -2.887
  534    HB2  LEU  30           HB3      LEU  30 -17.764  -3.714  -0.976
  535    HB3  LEU  30           HB2      LEU  30 -19.241  -4.499  -0.458
  536    HG   LEU  30           HG       LEU  30 -16.973  -5.866  -1.911
  537   HD11  LEU  30          HD11      LEU  30 -17.801  -5.948   0.986
  538   HD12  LEU  30          HD12      LEU  30 -16.327  -5.229   0.339
  539   HD13  LEU  30          HD13      LEU  30 -16.574  -6.972   0.242
  540   HD21  LEU  30          HD21      LEU  30 -18.180  -7.923  -1.296
  541   HD22  LEU  30          HD22      LEU  30 -19.103  -6.905  -2.399
  542   HD23  LEU  30          HD23      LEU  30 -19.510  -6.942  -0.683
  543    H    VAL  31           H        VAL  31 -18.515  -1.757  -1.982
  544    HA   VAL  31           HA       VAL  31 -21.065  -0.856  -1.165
  545    HB   VAL  31           HB       VAL  31 -18.906   0.091  -0.384
  546   HG11  VAL  31          HG11      VAL  31 -17.709   0.225  -2.481
  547   HG12  VAL  31          HG12      VAL  31 -17.797   1.816  -1.727
  548   HG13  VAL  31          HG13      VAL  31 -18.852   1.423  -3.083
  549   HG21  VAL  31          HG21      VAL  31 -19.670   2.422  -0.305
  550   HG22  VAL  31          HG22      VAL  31 -20.966   1.273   0.031
  551   HG23  VAL  31          HG23      VAL  31 -20.866   2.054  -1.547
  552    H    GLY  32           H        GLY  32 -19.482  -0.810  -4.312
  553    HA2  GLY  32           HA3      GLY  32 -21.546   1.040  -5.299
  554    HA3  GLY  32           HA2      GLY  32 -20.013   0.709  -6.089
  555    H    GLU  33           H        GLU  33 -21.741  -1.993  -4.843
  556    HA   GLU  33           HA       GLU  33 -22.599  -2.635  -7.583
  557    HB2  GLU  33           HB3      GLU  33 -20.607  -3.934  -6.709
  558    HB3  GLU  33           HB2      GLU  33 -21.697  -4.651  -5.531
  559    HG2  GLU  33           HG3      GLU  33 -21.335  -6.101  -7.463
  560    HG3  GLU  33           HG2      GLU  33 -23.024  -5.622  -7.303
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  20.739  -3.867  -6.015
    2    H2   GLY   1           H2       GLY   1  19.708  -3.904  -4.680
    3    H3   GLY   1           H3       GLY   1  21.010  -4.980  -4.770
    4    HA2  GLY   1           HA2      GLY   1  21.552  -3.235  -3.239
    5    HA3  GLY   1           HA3      GLY   1  22.561  -3.111  -4.674
    6    H    SER   2           H        SER   2  22.934  -0.918  -4.377
    7    HA   SER   2           HA       SER   2  22.617   1.302  -4.616
    8    HB2  SER   2           HB3      SER   2  21.732   0.691  -6.811
    9    HB3  SER   2           HB2      SER   2  20.129   0.456  -6.118
   10    HG   SER   2           HG       SER   2  21.268   2.723  -6.983
   11    H    MET   3           H        MET   3  22.356   1.996  -2.574
   12    HA   MET   3           HA       MET   3  20.051   1.628  -0.998
   13    HB2  MET   3           HB3      MET   3  22.247   3.692  -0.813
   14    HB3  MET   3           HB2      MET   3  20.987   3.496   0.396
   15    HG2  MET   3           HG3      MET   3  21.739   1.183   0.767
   16    HG3  MET   3           HG2      MET   3  23.042   1.445  -0.391
   17    HE1  MET   3           HE1      MET   3  23.530   0.439   2.652
   18    HE2  MET   3           HE2      MET   3  24.983   1.381   2.989
   19    HE3  MET   3           HE3      MET   3  24.763   0.639   1.406
   20    H    LYS   4           H        LYS   4  20.952   4.055  -3.338
   21    HA   LYS   4           HA       LYS   4  18.945   5.948  -2.690
   22    HB2  LYS   4           HB3      LYS   4  20.914   6.520  -4.040
   23    HB3  LYS   4           HB2      LYS   4  20.354   5.453  -5.320
   24    HG2  LYS   4           HG3      LYS   4  18.421   6.856  -5.697
   25    HG3  LYS   4           HG2      LYS   4  18.877   7.889  -4.342
   26    HD2  LYS   4           HD3      LYS   4  20.573   7.451  -6.798
   27    HD3  LYS   4           HD2      LYS   4  19.478   8.818  -6.574
   28    HE2  LYS   4           HE3      LYS   4  21.835   8.134  -4.815
   29    HE3  LYS   4           HE2      LYS   4  21.791   9.410  -6.028
   30    HZ1  LYS   4           HZ1      LYS   4  20.001  10.468  -4.764
   31    HZ2  LYS   4           HZ2      LYS   4  21.411  10.315  -3.844
   32    HZ3  LYS   4           HZ3      LYS   4  20.117   9.263  -3.582
   33    H    GLN   5           H        GLN   5  19.100   3.389  -5.164
   34    HA   GLN   5           HA       GLN   5  16.561   3.740  -6.257
   35    HB2  GLN   5           HB3      GLN   5  18.243   2.299  -7.281
   36    HB3  GLN   5           HB2      GLN   5  18.161   1.197  -5.915
   37    HG2  GLN   5           HG3      GLN   5  15.803   0.730  -6.481
   38    HG3  GLN   5           HG2      GLN   5  15.975   1.757  -7.904
   39   HE21  GLN   5          HE21      GLN   5  16.863  -1.249  -6.414
   40   HE22  GLN   5          HE22      GLN   5  17.483  -2.006  -7.838
   41    H    LEU   6           H        LEU   6  17.621   1.779  -3.523
   42    HA   LEU   6           HA       LEU   6  15.051   0.645  -3.031
   43    HB2  LEU   6           HB3      LEU   6  17.470   0.844  -1.233
   44    HB3  LEU   6           HB2      LEU   6  16.029  -0.076  -0.863
   45    HG   LEU   6           HG       LEU   6  17.863  -0.613  -3.204
   46   HD11  LEU   6          HD11      LEU   6  18.584  -2.557  -1.977
   47   HD12  LEU   6          HD12      LEU   6  17.517  -2.144  -0.636
   48   HD13  LEU   6          HD13      LEU   6  18.888  -1.105  -1.024
   49   HD21  LEU   6          HD21      LEU   6  16.573  -2.695  -3.411
   50   HD22  LEU   6          HD22      LEU   6  15.576  -1.267  -3.681
   51   HD23  LEU   6          HD23      LEU   6  15.481  -2.130  -2.146
   52    H    GLU   7           H        GLU   7  16.690   3.539  -1.949
   53    HA   GLU   7           HA       GLU   7  14.999   4.168   0.212
   54    HB2  GLU   7           HB3      GLU   7  17.225   5.207  -0.261
   55    HB3  GLU   7           HB2      GLU   7  16.490   6.073  -1.603
   56    HG2  GLU   7           HG3      GLU   7  16.600   7.570   0.222
   57    HG3  GLU   7           HG2      GLU   7  14.903   7.077   0.027
   58    H    ASP   8           H        ASP   8  14.984   5.195  -3.201
   59    HA   ASP   8           HA       ASP   8  12.566   6.654  -3.066
   60    HB2  ASP   8           HB3      ASP   8  14.049   5.369  -5.353
   61    HB3  ASP   8           HB2      ASP   8  12.516   6.197  -5.599
   62    H    LYS   9           H        LYS   9  13.300   3.296  -3.627
   63    HA   LYS   9           HA       LYS   9  10.760   2.340  -4.360
   64    HB2  LYS   9           HB3      LYS   9  13.078   1.082  -4.076
   65    HB3  LYS   9           HB2      LYS   9  12.418   0.714  -2.476
   66    HG2  LYS   9           HG3      LYS   9  11.932  -1.088  -3.960
   67    HG3  LYS   9           HG2      LYS   9  10.434  -0.258  -3.542
   68    HD2  LYS   9           HD3      LYS   9  10.482   0.926  -5.670
   69    HD3  LYS   9           HD2      LYS   9  12.004   0.138  -6.087
   70    HE2  LYS   9           HE3      LYS   9  10.907  -2.030  -6.047
   71    HE3  LYS   9           HE2      LYS   9   9.389  -1.269  -5.576
   72    HZ1  LYS   9           HZ1      LYS   9   9.429  -1.728  -7.934
   73    HZ2  LYS   9           HZ2      LYS   9  10.843  -0.822  -8.126
   74    HZ3  LYS   9           HZ3      LYS   9   9.404  -0.058  -7.674
   75    H    VAL  10           H        VAL  10  12.222   2.490  -1.142
   76    HA   VAL  10           HA       VAL  10  10.048   1.599   0.376
   77    HB   VAL  10           HB       VAL  10  12.254   3.523   1.134
   78   HG11  VAL  10          HG11      VAL  10  11.694   2.969   3.463
   79   HG12  VAL  10          HG12      VAL  10  10.300   2.052   2.899
   80   HG13  VAL  10          HG13      VAL  10  10.369   3.794   2.645
   81   HG21  VAL  10          HG21      VAL  10  13.236   1.546   2.227
   82   HG22  VAL  10          HG22      VAL  10  13.082   1.341   0.483
   83   HG23  VAL  10          HG23      VAL  10  11.934   0.555   1.567
   84    H    GLU  11           H        GLU  11  11.012   4.692  -0.844
   85    HA   GLU  11           HA       GLU  11   9.141   6.344   0.460
   86    HB2  GLU  11           HB3      GLU  11  11.125   7.207  -0.673
   87    HB3  GLU  11           HB2      GLU  11  10.493   6.672  -2.223
   88    HG2  GLU  11           HG3      GLU  11   8.614   8.239  -1.964
   89    HG3  GLU  11           HG2      GLU  11   9.329   8.807  -0.455
   90    H    GLU  12           H        GLU  12   9.042   4.843  -2.780
   91    HA   GLU  12           HA       GLU  12   6.560   5.906  -3.561
   92    HB2  GLU  12           HB3      GLU  12   8.138   4.909  -5.130
   93    HB3  GLU  12           HB2      GLU  12   7.918   3.333  -4.387
   94    HG2  GLU  12           HG3      GLU  12   6.714   3.495  -6.480
   95    HG3  GLU  12           HG2      GLU  12   5.605   3.292  -5.128
   96    H    LEU  13           H        LEU  13   7.141   2.529  -2.678
   97    HA   LEU  13           HA       LEU  13   4.583   1.653  -2.367
   98    HB2  LEU  13           HB3      LEU  13   6.999   0.855  -0.758
   99    HB3  LEU  13           HB2      LEU  13   5.502  -0.055  -0.823
  100    HG   LEU  13           HG       LEU  13   7.259   0.511  -3.213
  101   HD11  LEU  13          HD11      LEU  13   6.979  -1.983  -1.545
  102   HD12  LEU  13          HD12      LEU  13   8.398  -0.940  -1.638
  103   HD13  LEU  13          HD13      LEU  13   7.881  -1.853  -3.055
  104   HD21  LEU  13          HD21      LEU  13   4.867  -1.294  -2.852
  105   HD22  LEU  13          HD22      LEU  13   5.877  -1.208  -4.295
  106   HD23  LEU  13          HD23      LEU  13   4.923   0.189  -3.803
  107    H    LEU  14           H        LEU  14   6.458   3.379   0.102
  108    HA   LEU  14           HA       LEU  14   4.675   2.962   2.220
  109    HB2  LEU  14           HB3      LEU  14   6.976   3.720   2.555
  110    HB3  LEU  14           HB2      LEU  14   6.602   5.248   1.790
  111    HG   LEU  14           HG       LEU  14   4.973   5.703   3.631
  112   HD11  LEU  14          HD11      LEU  14   6.210   3.223   4.816
  113   HD12  LEU  14          HD12      LEU  14   4.518   3.454   4.372
  114   HD13  LEU  14          HD13      LEU  14   5.215   4.379   5.700
  115   HD21  LEU  14          HD21      LEU  14   7.212   6.658   3.641
  116   HD22  LEU  14          HD22      LEU  14   7.835   5.217   4.446
  117   HD23  LEU  14          HD23      LEU  14   6.688   6.265   5.279
  118    H    SER  15           H        SER  15   4.885   5.631  -0.164
  119    HA   SER  15           HA       SER  15   2.710   7.068   0.958
  120    HB2  SER  15           HB3      SER  15   2.644   8.286  -1.191
  121    HB3  SER  15           HB2      SER  15   4.285   8.167  -0.561
  122    HG   SER  15           HG       SER  15   4.307   6.164  -2.012
  123    H    LYS  16           H        LYS  16   2.966   4.453  -1.348
  124    HA   LYS  16           HA       LYS  16   0.257   4.366  -2.152
  125    HB2  LYS  16           HB3      LYS  16   2.387   2.234  -1.980
  126    HB3  LYS  16           HB2      LYS  16   0.785   1.933  -2.637
  127    HG2  LYS  16           HG3      LYS  16   2.585   4.085  -3.706
  128    HG3  LYS  16           HG2      LYS  16   2.637   2.422  -4.293
  129    HD2  LYS  16           HD3      LYS  16   0.111   4.065  -4.238
  130    HD3  LYS  16           HD2      LYS  16   1.200   4.025  -5.625
  131    HE2  LYS  16           HE3      LYS  16  -0.169   1.631  -4.398
  132    HE3  LYS  16           HE2      LYS  16  -0.677   2.452  -5.872
  133    HZ1  LYS  16           HZ1      LYS  16   0.595   0.554  -6.475
  134    HZ2  LYS  16           HZ2      LYS  16   1.853   0.968  -5.431
  135    HZ3  LYS  16           HZ3      LYS  16   1.548   1.911  -6.801
  136    H    ASN  17           H        ASN  17   2.055   2.636   0.378
  137    HA   ASN  17           HA       ASN  17  -0.020   1.145   1.459
  138    HB2  ASN  17           HB3      ASN  17   2.359   0.879   2.057
  139    HB3  ASN  17           HB2      ASN  17   2.339   2.415   2.900
  140   HD21  ASN  17          HD21      ASN  17  -0.181   2.035   4.343
  141   HD22  ASN  17          HD22      ASN  17   0.111   0.774   5.483
  142    H    TYR  18           H        TYR  18   0.990   4.460   2.229
  143    HA   TYR  18           HA       TYR  18  -0.859   4.866   4.323
  144    HB2  TYR  18           HB3      TYR  18   0.609   6.788   2.530
  145    HB3  TYR  18           HB2      TYR  18  -0.543   7.354   3.731
  146    HD1  TYR  18           HD1      TYR  18   2.651   7.620   3.356
  147    HD2  TYR  18           HD2      TYR  18   0.074   5.447   5.966
  148    HE1  TYR  18           HE1      TYR  18   4.413   7.581   5.064
  149    HE2  TYR  18           HE2      TYR  18   1.836   5.402   7.673
  150    HH   TYR  18           HH       TYR  18   4.610   7.345   7.509
  151    H    HIS  19           H        HIS  19  -1.048   5.675   0.867
  152    HA   HIS  19           HA       HIS  19  -3.584   6.905   1.001
  153    HB2  HIS  19           HB3      HIS  19  -2.175   5.571  -1.314
  154    HB3  HIS  19           HB2      HIS  19  -3.681   6.465  -1.472
  155    HD1  HIS  19           HD1      HIS  19  -1.312   7.428  -3.060
  156    HD2  HIS  19           HD2      HIS  19  -2.131   8.749   0.794
  157    HE1  HIS  19           HE1      HIS  19  -0.145   9.644  -2.842
  158    HE2  HIS  19           HE2      HIS  19  -0.520  10.338  -0.451
  159    H    LEU  20           H        LEU  20  -2.656   3.596   0.073
  160    HA   LEU  20           HA       LEU  20  -5.245   2.702  -0.530
  161    HB2  LEU  20           HB3      LEU  20  -2.879   1.105   0.443
  162    HB3  LEU  20           HB2      LEU  20  -4.327   0.435  -0.274
  163    HG   LEU  20           HG       LEU  20  -2.493   2.323  -1.739
  164   HD11  LEU  20          HD11      LEU  20  -1.300   0.275  -1.126
  165   HD12  LEU  20          HD12      LEU  20  -1.596   0.367  -2.860
  166   HD13  LEU  20          HD13      LEU  20  -2.588  -0.687  -1.850
  167   HD21  LEU  20          HD21      LEU  20  -4.777   2.237  -2.582
  168   HD22  LEU  20          HD22      LEU  20  -4.689   0.478  -2.668
  169   HD23  LEU  20          HD23      LEU  20  -3.661   1.464  -3.707
  170    H    GLU  21           H        GLU  21  -3.440   2.694   2.514
  171    HA   GLU  21           HA       GLU  21  -5.194   1.110   4.013
  172    HB2  GLU  21           HB3      GLU  21  -2.900   2.723   4.504
  173    HB3  GLU  21           HB2      GLU  21  -4.126   3.178   5.676
  174    HG2  GLU  21           HG3      GLU  21  -3.069   0.389   5.211
  175    HG3  GLU  21           HG2      GLU  21  -2.661   1.456   6.552
  176    H    ASN  22           H        ASN  22  -5.222   4.609   3.393
  177    HA   ASN  22           HA       ASN  22  -7.511   5.069   5.053
  178    HB2  ASN  22           HB3      ASN  22  -6.158   6.768   2.959
  179    HB3  ASN  22           HB2      ASN  22  -7.601   7.294   3.818
  180   HD21  ASN  22          HD21      ASN  22  -7.470   7.724   6.043
  181   HD22  ASN  22          HD22      ASN  22  -5.946   8.008   6.817
  182    H    GLU  23           H        GLU  23  -6.988   4.366   1.653
  183    HA   GLU  23           HA       GLU  23  -9.600   4.834   0.725
  184    HB2  GLU  23           HB3      GLU  23  -7.520   2.844  -0.195
  185    HB3  GLU  23           HB2      GLU  23  -9.020   3.163  -1.055
  186    HG2  GLU  23           HG3      GLU  23  -6.867   5.187  -0.491
  187    HG3  GLU  23           HG2      GLU  23  -7.123   4.356  -2.024
  188    H    VAL  24           H        VAL  24  -8.073   1.890   1.991
  189    HA   VAL  24           HA       VAL  24 -10.264   0.184   1.831
  190    HB   VAL  24           HB       VAL  24  -8.109   0.206   3.957
  191   HG11  VAL  24          HG11      VAL  24  -9.973  -2.007   3.103
  192   HG12  VAL  24          HG12      VAL  24 -10.031  -1.134   4.634
  193   HG13  VAL  24          HG13      VAL  24  -8.650  -2.165   4.257
  194   HG21  VAL  24          HG21      VAL  24  -8.275  -1.282   1.338
  195   HG22  VAL  24          HG22      VAL  24  -7.017  -1.488   2.558
  196   HG23  VAL  24          HG23      VAL  24  -7.181   0.052   1.712
  197    H    ALA  25           H        ALA  25  -9.173   2.182   4.561
  198    HA   ALA  25           HA       ALA  25 -11.214   1.605   6.358
  199    HB1  ALA  25           HB1      ALA  25  -9.162   2.760   6.979
  200    HB2  ALA  25           HB2      ALA  25 -10.584   3.668   7.492
  201    HB3  ALA  25           HB3      ALA  25  -9.680   4.180   6.070
  202    H    ARG  26           H        ARG  26 -11.056   4.190   3.921
  203    HA   ARG  26           HA       ARG  26 -13.432   5.503   4.549
  204    HB2  ARG  26           HB3      ARG  26 -11.868   6.484   3.006
  205    HB3  ARG  26           HB2      ARG  26 -12.028   5.125   1.901
  206    HG2  ARG  26           HG3      ARG  26 -14.376   5.757   1.505
  207    HG3  ARG  26           HG2      ARG  26 -14.152   7.157   2.555
  208    HD2  ARG  26           HD2      ARG  26 -12.498   8.071   1.068
  209    HD3  ARG  26           HD1      ARG  26 -12.528   6.616   0.074
  210    HE   ARG  26           HE       ARG  26 -15.117   7.604   0.118
  211   HH11  ARG  26          HH11      ARG  26 -11.975   8.696  -0.970
  212   HH12  ARG  26          HH12      ARG  26 -12.618   9.637  -2.275
  213   HH21  ARG  26          HH21      ARG  26 -15.959   8.844  -1.592
  214   HH22  ARG  26          HH22      ARG  26 -14.885   9.727  -2.625
  215    H    LEU  27           H        LEU  27 -12.881   2.912   2.169
  216    HA   LEU  27           HA       LEU  27 -15.576   2.736   1.371
  217    HB2  LEU  27           HB3      LEU  27 -13.369   0.695   1.180
  218    HB3  LEU  27           HB2      LEU  27 -14.911   0.584   0.345
  219    HG   LEU  27           HG       LEU  27 -12.920   2.808  -0.055
  220   HD11  LEU  27          HD11      LEU  27 -12.380   1.738  -2.152
  221   HD12  LEU  27          HD12      LEU  27 -13.495   0.421  -1.792
  222   HD13  LEU  27          HD13      LEU  27 -12.050   0.650  -0.807
  223   HD21  LEU  27          HD21      LEU  27 -15.433   2.046  -1.536
  224   HD22  LEU  27          HD22      LEU  27 -14.293   3.295  -2.038
  225   HD23  LEU  27          HD23      LEU  27 -15.199   3.481  -0.538
  226    H    LYS  28           H        LYS  28 -13.882   1.304   4.076
  227    HA   LYS  28           HA       LYS  28 -15.740  -0.714   4.700
  228    HB2  LYS  28           HB3      LYS  28 -13.868   0.906   6.431
  229    HB3  LYS  28           HB2      LYS  28 -14.897  -0.353   7.091
  230    HG2  LYS  28           HG3      LYS  28 -12.838  -0.784   4.941
  231    HG3  LYS  28           HG2      LYS  28 -12.579  -1.082   6.660
  232    HD2  LYS  28           HD3      LYS  28 -14.507  -2.675   6.603
  233    HD3  LYS  28           HD2      LYS  28 -14.553  -2.463   4.837
  234    HE2  LYS  28           HE3      LYS  28 -13.323  -4.471   5.385
  235    HE3  LYS  28           HE2      LYS  28 -12.218  -3.271   4.719
  236    HZ1  LYS  28           HZ1      LYS  28 -11.520  -2.730   6.974
  237    HZ2  LYS  28           HZ2      LYS  28 -11.263  -4.365   6.634
  238    HZ3  LYS  28           HZ3      LYS  28 -12.570  -3.900   7.598
  239    H    LYS  29           H        LYS  29 -15.475   2.674   5.761
  240    HA   LYS  29           HA       LYS  29 -17.801   2.812   7.293
  241    HB2  LYS  29           HB3      LYS  29 -16.761   5.035   5.529
  242    HB3  LYS  29           HB2      LYS  29 -17.684   5.197   7.013
  243    HG2  LYS  29           HG3      LYS  29 -15.810   4.420   8.320
  244    HG3  LYS  29           HG2      LYS  29 -14.891   4.077   6.853
  245    HD2  LYS  29           HD3      LYS  29 -15.036   6.496   6.283
  246    HD3  LYS  29           HD2      LYS  29 -15.796   6.774   7.849
  247    HE2  LYS  29           HE3      LYS  29 -13.049   5.607   7.409
  248    HE3  LYS  29           HE2      LYS  29 -13.391   7.268   7.888
  249    HZ1  LYS  29           HZ1      LYS  29 -14.025   4.830   9.462
  250    HZ2  LYS  29           HZ2      LYS  29 -14.427   6.407   9.912
  251    HZ3  LYS  29           HZ3      LYS  29 -12.804   5.952   9.798
  252    H    LEU  30           H        LEU  30 -17.337   3.203   3.808
  253    HA   LEU  30           HA       LEU  30 -19.929   4.081   3.185
  254    HB2  LEU  30           HB3      LEU  30 -17.685   2.892   1.655
  255    HB3  LEU  30           HB2      LEU  30 -19.268   2.852   0.906
  256    HG   LEU  30           HG       LEU  30 -17.967   4.791   0.170
  257   HD11  LEU  30          HD11      LEU  30 -19.645   6.495   0.555
  258   HD12  LEU  30          HD12      LEU  30 -20.302   5.576   1.906
  259   HD13  LEU  30          HD13      LEU  30 -20.412   4.935   0.268
  260   HD21  LEU  30          HD21      LEU  30 -17.473   6.615   1.730
  261   HD22  LEU  30          HD22      LEU  30 -16.607   5.139   2.152
  262   HD23  LEU  30          HD23      LEU  30 -18.035   5.616   3.070
  263    H    VAL  31           H        VAL  31 -18.583   0.770   2.989
  264    HA   VAL  31           HA       VAL  31 -21.016  -0.482   2.353
  265    HB   VAL  31           HB       VAL  31 -18.716  -1.701   3.896
  266   HG11  VAL  31          HG11      VAL  31 -20.729  -3.071   3.923
  267   HG12  VAL  31          HG12      VAL  31 -19.481  -3.814   2.921
  268   HG13  VAL  31          HG13      VAL  31 -20.834  -2.972   2.165
  269   HG21  VAL  31          HG21      VAL  31 -19.134  -1.491   0.917
  270   HG22  VAL  31          HG22      VAL  31 -17.875  -2.440   1.704
  271   HG23  VAL  31          HG23      VAL  31 -17.881  -0.685   1.861
  272    H    GLY  32           H        GLY  32 -19.761   0.681   5.395
  273    HA2  GLY  32           HA3      GLY  32 -21.537  -0.841   7.053
  274    HA3  GLY  32           HA2      GLY  32 -20.565   0.535   7.550
  275    H    GLU  33           H        GLU  33 -22.004   1.830   5.039
  276    HA   GLU  33           HA       GLU  33 -24.213   2.872   6.636
  277    HB2  GLU  33           HB3      GLU  33 -22.986   3.804   4.027
  278    HB3  GLU  33           HB2      GLU  33 -24.383   4.576   4.764
  279    HG2  GLU  33           HG3      GLU  33 -21.612   4.369   5.927
  280    HG3  GLU  33           HG2      GLU  33 -22.375   5.813   5.265
  281    H1   GLY   1           H1       GLY   1  20.769   3.663   6.349
  282    H2   GLY   1           H2       GLY   1  19.730   3.679   5.017
  283    H3   GLY   1           H3       GLY   1  21.018   4.769   5.095
  284    HA2  GLY   1           HA2      GLY   1  21.572   3.029   3.568
  285    HA3  GLY   1           HA3      GLY   1  22.594   2.923   4.995
  286    H    SER   2           H        SER   2  22.992   0.733   4.683
  287    HA   SER   2           HA       SER   2  22.707  -1.489   4.938
  288    HB2  SER   2           HB3      SER   2  21.844  -0.882   7.141
  289    HB3  SER   2           HB2      SER   2  20.230  -0.662   6.469
  290    HG   SER   2           HG       SER   2  21.450  -2.932   7.289
  291    H    MET   3           H        MET   3  22.429  -2.188   2.893
  292    HA   MET   3           HA       MET   3  20.096  -1.853   1.350
  293    HB2  MET   3           HB3      MET   3  22.315  -3.890   1.138
  294    HB3  MET   3           HB2      MET   3  21.037  -3.712  -0.055
  295    HG2  MET   3           HG3      MET   3  21.756  -1.396  -0.447
  296    HG3  MET   3           HG2      MET   3  23.071  -1.631   0.704
  297    HE1  MET   3           HE1      MET   3  23.509  -0.633  -2.347
  298    HE2  MET   3           HE2      MET   3  24.968  -1.554  -2.711
  299    HE3  MET   3           HE3      MET   3  24.769  -0.808  -1.125
  300    H    LYS   4           H        LYS   4  21.059  -4.270   3.675
  301    HA   LYS   4           HA       LYS   4  19.064  -6.183   3.063
  302    HB2  LYS   4           HB3      LYS   4  21.059  -6.731   4.384
  303    HB3  LYS   4           HB2      LYS   4  20.508  -5.668   5.670
  304    HG2  LYS   4           HG3      LYS   4  18.599  -7.092   6.082
  305    HG3  LYS   4           HG2      LYS   4  19.046  -8.121   4.721
  306    HD2  LYS   4           HD3      LYS   4  20.777  -7.658   7.145
  307    HD3  LYS   4           HD2      LYS   4  19.696  -9.036   6.947
  308    HE2  LYS   4           HE3      LYS   4  22.014  -8.332   5.146
  309    HE3  LYS   4           HE2      LYS   4  22.002  -9.607   6.360
  310    HZ1  LYS   4           HZ1      LYS   4  20.205 -10.686   5.124
  311    HZ2  LYS   4           HZ2      LYS   4  21.596 -10.520   4.182
  312    HZ3  LYS   4           HZ3      LYS   4  20.285  -9.484   3.940
  313    H    GLN   5           H        GLN   5  19.225  -3.614   5.523
  314    HA   GLN   5           HA       GLN   5  16.704  -3.998   6.659
  315    HB2  GLN   5           HB3      GLN   5  18.383  -2.535   7.657
  316    HB3  GLN   5           HB2      GLN   5  18.268  -1.436   6.291
  317    HG2  GLN   5           HG3      GLN   5  15.912  -0.998   6.893
  318    HG3  GLN   5           HG2      GLN   5  16.122  -2.016   8.317
  319   HE21  GLN   5          HE21      GLN   5  16.928   1.001   6.806
  320   HE22  GLN   5          HE22      GLN   5  17.566   1.769   8.214
  321    H    LEU   6           H        LEU   6  17.705  -2.028   3.908
  322    HA   LEU   6           HA       LEU   6  15.115  -0.929   3.452
  323    HB2  LEU   6           HB3      LEU   6  17.512  -1.098   1.619
  324    HB3  LEU   6           HB2      LEU   6  16.051  -0.198   1.268
  325    HG   LEU   6           HG       LEU   6  17.910   0.367   3.584
  326   HD11  LEU   6          HD11      LEU   6  18.588   2.322   2.341
  327   HD12  LEU   6          HD12      LEU   6  17.509   1.887   1.017
  328   HD13  LEU   6          HD13      LEU   6  18.901   0.870   1.390
  329   HD21  LEU   6          HD21      LEU   6  16.592   2.429   3.807
  330   HD22  LEU   6          HD22      LEU   6  15.620   0.988   4.090
  331   HD23  LEU   6          HD23      LEU   6  15.493   1.848   2.556
  332    H    GLU   7           H        GLU   7  16.774  -3.806   2.351
  333    HA   GLU   7           HA       GLU   7  15.057  -4.463   0.218
  334    HB2  GLU   7           HB3      GLU   7  17.302  -5.476   0.662
  335    HB3  GLU   7           HB2      GLU   7  16.597  -6.343   2.018
  336    HG2  GLU   7           HG3      GLU   7  16.699  -7.847   0.198
  337    HG3  GLU   7           HG2      GLU   7  14.998  -7.376   0.417
  338    H    ASP   8           H        ASP   8  15.105  -5.480   3.633
  339    HA   ASP   8           HA       ASP   8  12.704  -6.968   3.535
  340    HB2  ASP   8           HB3      ASP   8  14.200  -5.660   5.802
  341    HB3  ASP   8           HB2      ASP   8  12.684  -6.513   6.066
  342    H    LYS   9           H        LYS   9  13.404  -3.601   4.076
  343    HA   LYS   9           HA       LYS   9  10.861  -2.677   4.844
  344    HB2  LYS   9           HB3      LYS   9  13.157  -1.387   4.525
  345    HB3  LYS   9           HB2      LYS   9  12.470  -1.031   2.934
  346    HG2  LYS   9           HG3      LYS   9  11.981   0.767   4.422
  347    HG3  LYS   9           HG2      LYS   9  10.488  -0.082   4.027
  348    HD2  LYS   9           HD3      LYS   9  10.580  -1.261   6.158
  349    HD3  LYS   9           HD2      LYS   9  12.099  -0.454   6.548
  350    HE2  LYS   9           HE3      LYS   9  10.978   1.702   6.525
  351    HE3  LYS   9           HE2      LYS   9   9.462   0.925   6.073
  352    HZ1  LYS   9           HZ1      LYS   9   9.526   1.390   8.430
  353    HZ2  LYS   9           HZ2      LYS   9  10.948   0.493   8.605
  354    HZ3  LYS   9           HZ3      LYS   9   9.509  -0.281   8.171
  355    H    VAL  10           H        VAL  10  12.283  -2.816   1.607
  356    HA   VAL  10           HA       VAL  10  10.076  -1.952   0.117
  357    HB   VAL  10           HB       VAL  10  12.297  -3.850  -0.669
  358   HG11  VAL  10          HG11      VAL  10  11.696  -3.307  -2.992
  359   HG12  VAL  10          HG12      VAL  10  10.298  -2.407  -2.409
  360   HG13  VAL  10          HG13      VAL  10  10.394  -4.149  -2.153
  361   HG21  VAL  10          HG21      VAL  10  13.235  -1.861  -1.781
  362   HG22  VAL  10          HG22      VAL  10  13.103  -1.656  -0.034
  363   HG23  VAL  10          HG23      VAL  10  11.930  -0.888  -1.102
  364    H    GLU  11           H        GLU  11  11.090  -5.032   1.329
  365    HA   GLU  11           HA       GLU  11   9.221  -6.709   0.054
  366    HB2  GLU  11           HB3      GLU  11  11.232  -7.538   1.165
  367    HB3  GLU  11           HB2      GLU  11  10.611  -7.010   2.720
  368    HG2  GLU  11           HG3      GLU  11   8.757  -8.610   2.496
  369    HG3  GLU  11           HG2      GLU  11   9.454  -9.168   0.974
  370    H    GLU  12           H        GLU  12   9.157  -5.206   3.296
  371    HA   GLU  12           HA       GLU  12   6.698  -6.295   4.111
  372    HB2  GLU  12           HB3      GLU  12   8.289  -5.275   5.654
  373    HB3  GLU  12           HB2      GLU  12   8.028  -3.702   4.917
  374    HG2  GLU  12           HG3      GLU  12   6.855  -3.888   7.027
  375    HG3  GLU  12           HG2      GLU  12   5.724  -3.706   5.689
  376    H    LEU  13           H        LEU  13   7.222  -2.912   3.211
  377    HA   LEU  13           HA       LEU  13   4.649  -2.070   2.937
  378    HB2  LEU  13           HB3      LEU  13   7.032  -1.244   1.292
  379    HB3  LEU  13           HB2      LEU  13   5.524  -0.354   1.377
  380    HG   LEU  13           HG       LEU  13   7.319  -0.892   3.741
  381   HD11  LEU  13          HD11      LEU  13   6.988   1.596   2.076
  382   HD12  LEU  13          HD12      LEU  13   8.422   0.573   2.152
  383   HD13  LEU  13          HD13      LEU  13   7.909   1.479   3.575
  384   HD21  LEU  13          HD21      LEU  13   4.901   0.879   3.412
  385   HD22  LEU  13          HD22      LEU  13   5.932   0.810   4.840
  386   HD23  LEU  13          HD23      LEU  13   4.990  -0.602   4.365
  387    H    LEU  14           H        LEU  14   6.509  -3.779   0.446
  388    HA   LEU  14           HA       LEU  14   4.692  -3.387  -1.646
  389    HB2  LEU  14           HB3      LEU  14   6.997  -4.116  -2.014
  390    HB3  LEU  14           HB2      LEU  14   6.654  -5.648  -1.243
  391    HG   LEU  14           HG       LEU  14   5.006  -6.126  -3.063
  392   HD11  LEU  14          HD11      LEU  14   6.194  -3.629  -4.263
  393   HD12  LEU  14          HD12      LEU  14   4.512  -3.883  -3.797
  394   HD13  LEU  14          HD13      LEU  14   5.203  -4.798  -5.135
  395   HD21  LEU  14          HD21      LEU  14   7.256  -7.053  -3.107
  396   HD22  LEU  14          HD22      LEU  14   7.850  -5.603  -3.916
  397   HD23  LEU  14          HD23      LEU  14   6.706  -6.665  -4.737
  398    H    SER  15           H        SER  15   4.973  -6.058   0.728
  399    HA   SER  15           HA       SER  15   2.797  -7.515  -0.356
  400    HB2  SER  15           HB3      SER  15   2.777  -8.730   1.803
  401    HB3  SER  15           HB2      SER  15   4.398  -8.604   1.129
  402    HG   SER  15           HG       SER  15   4.440  -6.590   2.574
  403    H    LYS  16           H        LYS  16   3.055  -4.894   1.941
  404    HA   LYS  16           HA       LYS  16   0.359  -4.840   2.787
  405    HB2  LYS  16           HB3      LYS  16   2.457  -2.678   2.581
  406    HB3  LYS  16           HB2      LYS  16   0.863  -2.399   3.262
  407    HG2  LYS  16           HG3      LYS  16   2.706  -4.522   4.309
  408    HG3  LYS  16           HG2      LYS  16   2.742  -2.858   4.892
  409    HD2  LYS  16           HD3      LYS  16   0.241  -4.534   4.869
  410    HD3  LYS  16           HD2      LYS  16   1.346  -4.477   6.242
  411    HE2  LYS  16           HE3      LYS  16  -0.075  -2.106   5.030
  412    HE3  LYS  16           HE2      LYS  16  -0.548  -2.931   6.512
  413    HZ1  LYS  16           HZ1      LYS  16   0.698  -1.004   7.091
  414    HZ2  LYS  16           HZ2      LYS  16   1.953  -1.407   6.032
  415    HZ3  LYS  16           HZ3      LYS  16   1.676  -2.347   7.412
  416    H    ASN  17           H        ASN  17   2.095  -3.095   0.227
  417    HA   ASN  17           HA       ASN  17  -0.013  -1.629  -0.825
  418    HB2  ASN  17           HB3      ASN  17   2.351  -1.335  -1.457
  419    HB3  ASN  17           HB2      ASN  17   2.340  -2.875  -2.295
  420   HD21  ASN  17          HD21      ASN  17  -0.203  -2.529  -3.703
  421   HD22  ASN  17          HD22      ASN  17   0.051  -1.265  -4.849
  422    H    TYR  18           H        TYR  18   1.019  -4.935  -1.597
  423    HA   TYR  18           HA       TYR  18  -0.851  -5.362  -3.671
  424    HB2  TYR  18           HB3      TYR  18   0.670  -7.260  -1.897
  425    HB3  TYR  18           HB2      TYR  18  -0.493  -7.845  -3.078
  426    HD1  TYR  18           HD1      TYR  18   2.709  -8.069  -2.748
  427    HD2  TYR  18           HD2      TYR  18   0.064  -5.942  -5.331
  428    HE1  TYR  18           HE1      TYR  18   4.447  -8.008  -4.480
  429    HE2  TYR  18           HE2      TYR  18   1.805  -5.880  -7.062
  430    HH   TYR  18           HH       TYR  18   4.638  -7.771  -6.893
  431    H    HIS  19           H        HIS  19  -0.974  -6.178  -0.212
  432    HA   HIS  19           HA       HIS  19  -3.496  -7.432  -0.304
  433    HB2  HIS  19           HB3      HIS  19  -2.070  -6.077   1.990
  434    HB3  HIS  19           HB2      HIS  19  -3.563  -6.990   2.171
  435    HD1  HIS  19           HD1      HIS  19  -1.168  -7.928   3.725
  436    HD2  HIS  19           HD2      HIS  19  -2.008  -9.253  -0.118
  437    HE1  HIS  19           HE1      HIS  19   0.024 -10.126   3.497
  438    HE2  HIS  19           HE2      HIS  19  -0.326 -10.795   1.095
  439    H    LEU  20           H        LEU  20  -2.594  -4.108   0.595
  440    HA   LEU  20           HA       LEU  20  -5.186  -3.249   1.239
  441    HB2  LEU  20           HB3      LEU  20  -2.858  -1.619   0.229
  442    HB3  LEU  20           HB2      LEU  20  -4.304  -0.971   0.965
  443    HG   LEU  20           HG       LEU  20  -2.426  -2.832   2.407
  444   HD11  LEU  20          HD11      LEU  20  -1.269  -0.770   1.774
  445   HD12  LEU  20          HD12      LEU  20  -1.539  -0.864   3.513
  446   HD13  LEU  20          HD13      LEU  20  -2.558   0.175   2.516
  447   HD21  LEU  20          HD21      LEU  20  -4.699  -2.770   3.281
  448   HD22  LEU  20          HD22      LEU  20  -4.630  -1.010   3.360
  449   HD23  LEU  20          HD23      LEU  20  -3.577  -1.981   4.388
  450    H    GLU  21           H        GLU  21  -3.429  -3.222  -1.830
  451    HA   GLU  21           HA       GLU  21  -5.221  -1.666  -3.309
  452    HB2  GLU  21           HB3      GLU  21  -2.916  -3.256  -3.823
  453    HB3  GLU  21           HB2      GLU  21  -4.154  -3.727  -4.977
  454    HG2  GLU  21           HG3      GLU  21  -3.117  -0.927  -4.532
  455    HG3  GLU  21           HG2      GLU  21  -2.720  -1.992  -5.879
  456    H    ASN  22           H        ASN  22  -5.190  -5.166  -2.695
  457    HA   ASN  22           HA       ASN  22  -7.505  -5.653  -4.307
  458    HB2  ASN  22           HB3      ASN  22  -6.089  -7.328  -2.236
  459    HB3  ASN  22           HB2      ASN  22  -7.539  -7.878  -3.069
  460   HD21  ASN  22          HD21      ASN  22  -7.436  -8.314  -5.295
  461   HD22  ASN  22          HD22      ASN  22  -5.922  -8.564  -6.096
  462    H    GLU  23           H        GLU  23  -6.936  -4.935  -0.919
  463    HA   GLU  23           HA       GLU  23  -9.527  -5.434   0.050
  464    HB2  GLU  23           HB3      GLU  23  -7.462  -3.414   0.935
  465    HB3  GLU  23           HB2      GLU  23  -8.946  -3.746   1.817
  466    HG2  GLU  23           HG3      GLU  23  -6.779  -5.749   1.229
  467    HG3  GLU  23           HG2      GLU  23  -7.023  -4.915   2.764
  468    H    VAL  24           H        VAL  24  -8.063  -2.470  -1.242
  469    HA   VAL  24           HA       VAL  24 -10.278  -0.797  -1.057
  470    HB   VAL  24           HB       VAL  24  -8.148  -0.795  -3.211
  471   HG11  VAL  24          HG11      VAL  24 -10.026   1.398  -2.333
  472   HG12  VAL  24          HG12      VAL  24 -10.097   0.520  -3.862
  473   HG13  VAL  24          HG13      VAL  24  -8.722   1.567  -3.508
  474   HG21  VAL  24          HG21      VAL  24  -8.294   0.692  -0.590
  475   HG22  VAL  24          HG22      VAL  24  -7.058   0.914  -1.828
  476   HG23  VAL  24          HG23      VAL  24  -7.191  -0.628  -0.981
  477    H    ALA  25           H        ALA  25  -9.190  -2.787  -3.800
  478    HA   ALA  25           HA       ALA  25 -11.266  -2.240  -5.566
  479    HB1  ALA  25           HB1      ALA  25  -9.208  -3.372  -6.215
  480    HB2  ALA  25           HB2      ALA  25 -10.626  -4.294  -6.711
  481    HB3  ALA  25           HB3      ALA  25  -9.695  -4.798  -5.300
  482    H    ARG  26           H        ARG  26 -11.041  -4.813  -3.126
  483    HA   ARG  26           HA       ARG  26 -13.407  -6.159  -3.721
  484    HB2  ARG  26           HB3      ARG  26 -11.811  -7.119  -2.199
  485    HB3  ARG  26           HB2      ARG  26 -11.971  -5.763  -1.092
  486    HG2  ARG  26           HG3      ARG  26 -14.309  -6.421  -0.666
  487    HG3  ARG  26           HG2      ARG  26 -14.078  -7.822  -1.715
  488    HD2  ARG  26           HD2      ARG  26 -12.394  -8.708  -0.245
  489    HD3  ARG  26           HD1      ARG  26 -12.435  -7.253   0.749
  490    HE   ARG  26           HE       ARG  26 -15.010  -8.287   0.721
  491   HH11  ARG  26          HH11      ARG  26 -11.846  -9.344   1.777
  492   HH12  ARG  26          HH12      ARG  26 -12.461 -10.286   3.097
  493   HH21  ARG  26          HH21      ARG  26 -15.824  -9.524   2.452
  494   HH22  ARG  26          HH22      ARG  26 -14.728 -10.393   3.479
  495    H    LEU  27           H        LEU  27 -12.857  -3.556  -1.353
  496    HA   LEU  27           HA       LEU  27 -15.546  -3.414  -0.520
  497    HB2  LEU  27           HB3      LEU  27 -13.360  -1.345  -0.358
  498    HB3  LEU  27           HB2      LEU  27 -14.891  -1.255   0.498
  499    HG   LEU  27           HG       LEU  27 -12.868  -3.453   0.873
  500   HD11  LEU  27          HD11      LEU  27 -12.312  -2.370   2.961
  501   HD12  LEU  27          HD12      LEU  27 -13.448  -1.069   2.612
  502   HD13  LEU  27          HD13      LEU  27 -12.015  -1.282   1.608
  503   HD21  LEU  27          HD21      LEU  27 -15.370  -2.720   2.388
  504   HD22  LEU  27          HD22      LEU  27 -14.209  -3.954   2.876
  505   HD23  LEU  27          HD23      LEU  27 -15.132  -4.154   1.388
  506    H    LYS  28           H        LYS  28 -13.906  -1.970  -3.248
  507    HA   LYS  28           HA       LYS  28 -15.797   0.024  -3.849
  508    HB2  LYS  28           HB3      LYS  28 -13.929  -1.575  -5.605
  509    HB3  LYS  28           HB2      LYS  28 -14.984  -0.330  -6.251
  510    HG2  LYS  28           HG3      LYS  28 -12.903   0.133  -4.129
  511    HG3  LYS  28           HG2      LYS  28 -12.668   0.432  -5.851
  512    HD2  LYS  28           HD3      LYS  28 -14.620   1.997  -5.770
  513    HD3  LYS  28           HD2      LYS  28 -14.637   1.787  -4.004
  514    HE2  LYS  28           HE3      LYS  28 -13.444   3.811  -4.574
  515    HE3  LYS  28           HE2      LYS  28 -12.315   2.627  -3.923
  516    HZ1  LYS  28           HZ1      LYS  28 -11.631   2.100  -6.183
  517    HZ2  LYS  28           HZ2      LYS  28 -11.408   3.742  -5.855
  518    HZ3  LYS  28           HZ3      LYS  28 -12.715   3.240  -6.800
  519    H    LYS  29           H        LYS  29 -15.507  -3.365  -4.909
  520    HA   LYS  29           HA       LYS  29 -17.855  -3.535  -6.410
  521    HB2  LYS  29           HB3      LYS  29 -16.763  -5.738  -4.651
  522    HB3  LYS  29           HB2      LYS  29 -17.705  -5.916  -6.124
  523    HG2  LYS  29           HG3      LYS  29 -15.859  -5.120  -7.458
  524    HG3  LYS  29           HG2      LYS  29 -14.925  -4.759  -6.004
  525    HD2  LYS  29           HD3      LYS  29 -15.027  -7.180  -5.424
  526    HD3  LYS  29           HD2      LYS  29 -15.805  -7.472  -6.981
  527    HE2  LYS  29           HE3      LYS  29 -13.070  -6.266  -6.578
  528    HE3  LYS  29           HE2      LYS  29 -13.399  -7.928  -7.054
  529    HZ1  LYS  29           HZ1      LYS  29 -14.087  -5.497  -8.611
  530    HZ2  LYS  29           HZ2      LYS  29 -14.473  -7.079  -9.061
  531    HZ3  LYS  29           HZ3      LYS  29 -12.855  -6.600  -8.966
  532    H    LEU  30           H        LEU  30 -17.336  -3.913  -2.930
  533    HA   LEU  30           HA       LEU  30 -19.907  -4.820  -2.265
  534    HB2  LEU  30           HB3      LEU  30 -17.659  -3.595  -0.768
  535    HB3  LEU  30           HB2      LEU  30 -19.232  -3.578   0.000
  536    HG   LEU  30           HG       LEU  30 -17.894  -5.497   0.724
  537   HD11  LEU  30          HD11      LEU  30 -19.555  -7.226   0.359
  538   HD12  LEU  30          HD12      LEU  30 -20.240  -6.311  -0.984
  539   HD13  LEU  30          HD13      LEU  30 -20.336  -5.673   0.656
  540   HD21  LEU  30          HD21      LEU  30 -17.394  -7.315  -0.835
  541   HD22  LEU  30          HD22      LEU  30 -16.554  -5.830  -1.276
  542   HD23  LEU  30          HD23      LEU  30 -17.987  -6.330  -2.171
  543    H    VAL  31           H        VAL  31 -18.597  -1.494  -2.092
  544    HA   VAL  31           HA       VAL  31 -21.036  -0.272  -1.426
  545    HB   VAL  31           HB       VAL  31 -18.772   0.976  -3.001
  546   HG11  VAL  31          HG11      VAL  31 -20.801   2.319  -3.002
  547   HG12  VAL  31          HG12      VAL  31 -19.551   3.077  -2.017
  548   HG13  VAL  31          HG13      VAL  31 -20.884   2.220  -1.243
  549   HG21  VAL  31          HG21      VAL  31 -19.150   0.764  -0.018
  550   HG22  VAL  31          HG22      VAL  31 -17.913   1.728  -0.824
  551   HG23  VAL  31          HG23      VAL  31 -17.900  -0.028  -0.977
  552    H    GLY  32           H        GLY  32 -19.812  -1.420  -4.483
  553    HA2  GLY  32           HA3      GLY  32 -21.630   0.076  -6.114
  554    HA3  GLY  32           HA2      GLY  32 -20.646  -1.287  -6.622
  555    H    GLU  33           H        GLU  33 -22.031  -2.603  -4.096
  556    HA   GLU  33           HA       GLU  33 -24.255  -3.670  -5.656
  557    HB2  GLU  33           HB3      GLU  33 -22.975  -4.583  -3.064
  558    HB3  GLU  33           HB2      GLU  33 -24.375  -5.372  -3.776
  559    HG2  GLU  33           HG3      GLU  33 -21.625  -5.139  -4.983
  560    HG3  GLU  33           HG2      GLU  33 -22.366  -6.589  -4.308
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  26.482  -1.611  -3.120
    2    H2   GLY   1           H2       GLY   1  25.233  -2.085  -4.157
    3    H3   GLY   1           H3       GLY   1  24.961  -1.999  -2.489
    4    HA2  GLY   1           HA2      GLY   1  25.293   0.390  -2.525
    5    HA3  GLY   1           HA3      GLY   1  25.564   0.298  -4.260
    6    H    SER   2           H        SER   2  23.864   1.383  -5.051
    7    HA   SER   2           HA       SER   2  21.747   1.821  -5.728
    8    HB2  SER   2           HB3      SER   2  21.100  -0.969  -4.773
    9    HB3  SER   2           HB2      SER   2  20.211  -0.029  -5.963
   10    HG   SER   2           HG       SER   2  22.519  -0.035  -6.989
   11    H    MET   3           H        MET   3  22.516   2.447  -2.981
   12    HA   MET   3           HA       MET   3  20.402   1.845  -1.198
   13    HB2  MET   3           HB3      MET   3  22.449   4.066  -1.172
   14    HB3  MET   3           HB2      MET   3  21.298   3.794   0.128
   15    HG2  MET   3           HG3      MET   3  22.232   1.520   0.417
   16    HG3  MET   3           HG2      MET   3  23.444   1.902  -0.804
   17    HE1  MET   3           HE1      MET   3  23.126   4.032   3.283
   18    HE2  MET   3           HE2      MET   3  22.072   2.710   2.783
   19    HE3  MET   3           HE3      MET   3  21.960   4.280   1.985
   20    H    LYS   4           H        LYS   4  21.070   4.611  -3.293
   21    HA   LYS   4           HA       LYS   4  18.800   6.117  -2.573
   22    HB2  LYS   4           HB3      LYS   4  20.752   7.045  -3.768
   23    HB3  LYS   4           HB2      LYS   4  20.305   6.123  -5.192
   24    HG2  LYS   4           HG3      LYS   4  18.274   7.376  -5.437
   25    HG3  LYS   4           HG2      LYS   4  18.566   8.218  -3.916
   26    HD2  LYS   4           HD3      LYS   4  20.570   8.362  -6.136
   27    HD3  LYS   4           HD2      LYS   4  19.140   9.392  -6.161
   28    HE2  LYS   4           HE3      LYS   4  20.995  10.586  -5.174
   29    HE3  LYS   4           HE2      LYS   4  19.766  10.280  -3.954
   30    HZ1  LYS   4           HZ1      LYS   4  22.065   9.896  -3.185
   31    HZ2  LYS   4           HZ2      LYS   4  22.211   8.635  -4.298
   32    HZ3  LYS   4           HZ3      LYS   4  21.085   8.528  -3.041
   33    H    GLN   5           H        GLN   5  19.292   3.556  -4.951
   34    HA   GLN   5           HA       GLN   5  16.834   3.854  -6.309
   35    HB2  GLN   5           HB3      GLN   5  18.696   2.524  -7.210
   36    HB3  GLN   5           HB2      GLN   5  18.508   1.367  -5.900
   37    HG2  GLN   5           HG3      GLN   5  16.247   0.843  -6.715
   38    HG3  GLN   5           HG2      GLN   5  16.490   1.962  -8.054
   39   HE21  GLN   5          HE21      GLN   5  15.956  -0.904  -8.082
   40   HE22  GLN   5          HE22      GLN   5  17.266  -1.627  -8.950
   41    H    LEU   6           H        LEU   6  17.823   1.748  -3.631
   42    HA   LEU   6           HA       LEU   6  15.260   0.610  -3.220
   43    HB2  LEU   6           HB3      LEU   6  17.598   0.889  -1.323
   44    HB3  LEU   6           HB2      LEU   6  16.148  -0.021  -0.964
   45    HG   LEU   6           HG       LEU   6  18.052  -0.645  -3.229
   46   HD11  LEU   6          HD11      LEU   6  18.720  -2.555  -1.884
   47   HD12  LEU   6          HD12      LEU   6  17.656  -2.028  -0.581
   48   HD13  LEU   6          HD13      LEU   6  19.051  -1.046  -1.032
   49   HD21  LEU   6          HD21      LEU   6  15.793  -1.336  -3.744
   50   HD22  LEU   6          HD22      LEU   6  15.639  -2.108  -2.167
   51   HD23  LEU   6          HD23      LEU   6  16.772  -2.748  -3.356
   52    H    GLU   7           H        GLU   7  16.788   3.539  -2.126
   53    HA   GLU   7           HA       GLU   7  15.011   4.225  -0.081
   54    HB2  GLU   7           HB3      GLU   7  17.201   5.291  -0.446
   55    HB3  GLU   7           HB2      GLU   7  16.600   6.016  -1.928
   56    HG2  GLU   7           HG3      GLU   7  14.985   7.319  -0.656
   57    HG3  GLU   7           HG2      GLU   7  15.569   6.563   0.844
   58    H    ASP   8           H        ASP   8  14.962   4.933  -3.570
   59    HA   ASP   8           HA       ASP   8  12.614   6.470  -3.603
   60    HB2  ASP   8           HB3      ASP   8  13.981   4.752  -5.644
   61    HB3  ASP   8           HB2      ASP   8  12.374   5.381  -5.986
   62    H    LYS   9           H        LYS   9  13.093   2.997  -3.938
   63    HA   LYS   9           HA       LYS   9  10.412   2.212  -4.244
   64    HB2  LYS   9           HB3      LYS   9  12.236   0.515  -2.575
   65    HB3  LYS   9           HB2      LYS   9  11.039   0.030  -3.764
   66    HG2  LYS   9           HG3      LYS   9  13.658   1.342  -4.458
   67    HG3  LYS   9           HG2      LYS   9  13.361  -0.393  -4.485
   68    HD2  LYS   9           HD3      LYS   9  11.910   1.662  -6.159
   69    HD3  LYS   9           HD2      LYS   9  13.205   0.612  -6.718
   70    HE2  LYS   9           HE3      LYS   9  10.576  -0.373  -5.616
   71    HE3  LYS   9           HE2      LYS   9  10.929  -0.183  -7.330
   72    HZ1  LYS   9           HZ1      LYS   9  12.381  -1.972  -5.456
   73    HZ2  LYS   9           HZ2      LYS   9  12.724  -1.785  -7.099
   74    HZ3  LYS   9           HZ3      LYS   9  11.253  -2.463  -6.615
   75    H    VAL  10           H        VAL  10  12.304   2.420  -1.234
   76    HA   VAL  10           HA       VAL  10  10.285   1.393   0.442
   77    HB   VAL  10           HB       VAL  10  12.670   1.489   1.098
   78   HG11  VAL  10          HG11      VAL  10  13.163   3.761   0.297
   79   HG12  VAL  10          HG12      VAL  10  13.648   3.514   1.975
   80   HG13  VAL  10          HG13      VAL  10  12.179   4.417   1.604
   81   HG21  VAL  10          HG21      VAL  10  10.920   1.125   2.756
   82   HG22  VAL  10          HG22      VAL  10  10.791   2.865   3.009
   83   HG23  VAL  10          HG23      VAL  10  12.276   2.018   3.441
   84    H    GLU  11           H        GLU  11  11.088   4.588  -0.673
   85    HA   GLU  11           HA       GLU  11   9.158   5.934   0.971
   86    HB2  GLU  11           HB3      GLU  11  10.768   6.792  -1.414
   87    HB3  GLU  11           HB2      GLU  11   9.555   7.839  -0.693
   88    HG2  GLU  11           HG3      GLU  11  10.777   7.529   1.497
   89    HG3  GLU  11           HG2      GLU  11  12.073   6.790   0.555
   90    H    GLU  12           H        GLU  12   9.195   5.018  -2.498
   91    HA   GLU  12           HA       GLU  12   6.725   6.109  -3.189
   92    HB2  GLU  12           HB3      GLU  12   8.433   5.159  -4.754
   93    HB3  GLU  12           HB2      GLU  12   7.917   3.551  -4.271
   94    HG2  GLU  12           HG3      GLU  12   6.911   4.165  -6.375
   95    HG3  GLU  12           HG2      GLU  12   5.676   4.016  -5.126
   96    H    LEU  13           H        LEU  13   7.368   2.707  -2.452
   97    HA   LEU  13           HA       LEU  13   4.791   1.768  -2.324
   98    HB2  LEU  13           HB3      LEU  13   7.168   0.875  -0.703
   99    HB3  LEU  13           HB2      LEU  13   5.692  -0.046  -0.913
  100    HG   LEU  13           HG       LEU  13   7.533   0.751  -3.169
  101   HD11  LEU  13          HD11      LEU  13   8.670  -0.795  -1.712
  102   HD12  LEU  13          HD12      LEU  13   8.172  -1.629  -3.185
  103   HD13  LEU  13          HD13      LEU  13   7.264  -1.857  -1.690
  104   HD21  LEU  13          HD21      LEU  13   5.228   0.434  -3.874
  105   HD22  LEU  13          HD22      LEU  13   5.178  -1.129  -3.059
  106   HD23  LEU  13          HD23      LEU  13   6.238  -0.894  -4.448
  107    H    LEU  14           H        LEU  14   6.625   3.295   0.310
  108    HA   LEU  14           HA       LEU  14   4.758   2.750   2.339
  109    HB2  LEU  14           HB3      LEU  14   7.025   3.388   2.885
  110    HB3  LEU  14           HB2      LEU  14   6.818   4.951   2.129
  111    HG   LEU  14           HG       LEU  14   5.101   5.496   3.865
  112   HD11  LEU  14          HD11      LEU  14   6.073   2.926   5.101
  113   HD12  LEU  14          HD12      LEU  14   4.448   3.250   4.496
  114   HD13  LEU  14          HD13      LEU  14   5.058   4.125   5.900
  115   HD21  LEU  14          HD21      LEU  14   6.730   5.885   5.650
  116   HD22  LEU  14          HD22      LEU  14   7.390   6.288   4.065
  117   HD23  LEU  14          HD23      LEU  14   7.856   4.783   4.859
  118    H    SER  15           H        SER  15   5.168   5.603   0.235
  119    HA   SER  15           HA       SER  15   2.923   6.956   1.368
  120    HB2  SER  15           HB3      SER  15   3.178   8.386  -0.756
  121    HB3  SER  15           HB2      SER  15   4.532   8.364   0.373
  122    HG   SER  15           HG       SER  15   5.660   7.051  -0.979
  123    H    LYS  16           H        LYS  16   3.413   4.661  -1.187
  124    HA   LYS  16           HA       LYS  16   0.874   4.901  -2.432
  125    HB2  LYS  16           HB3      LYS  16   2.883   3.764  -3.416
  126    HB3  LYS  16           HB2      LYS  16   2.658   2.463  -2.259
  127    HG2  LYS  16           HG3      LYS  16   1.765   1.799  -4.370
  128    HG3  LYS  16           HG2      LYS  16   0.432   2.028  -3.238
  129    HD2  LYS  16           HD3      LYS  16  -0.025   4.226  -4.192
  130    HD3  LYS  16           HD2      LYS  16   1.333   4.043  -5.301
  131    HE2  LYS  16           HE3      LYS  16   0.234   2.241  -6.447
  132    HE3  LYS  16           HE2      LYS  16  -1.043   2.186  -5.233
  133    HZ1  LYS  16           HZ1      LYS  16  -1.711   3.320  -7.280
  134    HZ2  LYS  16           HZ2      LYS  16  -0.508   4.482  -7.034
  135    HZ3  LYS  16           HZ3      LYS  16  -1.788   4.343  -5.938
  136    H    ASN  17           H        ASN  17   2.189   2.689   0.020
  137    HA   ASN  17           HA       ASN  17  -0.101   1.209   0.588
  138    HB2  ASN  17           HB3      ASN  17   2.186   0.769   1.467
  139    HB3  ASN  17           HB2      ASN  17   2.007   2.124   2.558
  140   HD21  ASN  17          HD21      ASN  17   2.198   0.863   4.421
  141   HD22  ASN  17          HD22      ASN  17   0.956  -0.225   4.922
  142    H    TYR  18           H        TYR  18   0.995   4.283   1.879
  143    HA   TYR  18           HA       TYR  18  -0.886   4.755   3.826
  144    HB2  TYR  18           HB3      TYR  18   1.080   6.106   3.569
  145    HB3  TYR  18           HB2      TYR  18   0.599   6.593   1.951
  146    HD1  TYR  18           HD1      TYR  18  -0.177   6.956   5.532
  147    HD2  TYR  18           HD2      TYR  18  -0.827   8.415   1.600
  148    HE1  TYR  18           HE1      TYR  18  -1.261   8.941   6.455
  149    HE2  TYR  18           HE2      TYR  18  -1.912  10.400   2.506
  150    HH   TYR  18           HH       TYR  18  -3.040  11.145   4.507
  151    H    HIS  19           H        HIS  19  -1.066   5.229   0.336
  152    HA   HIS  19           HA       HIS  19  -3.507   6.661   0.337
  153    HB2  HIS  19           HB3      HIS  19  -1.903   6.599  -1.584
  154    HB3  HIS  19           HB2      HIS  19  -2.390   4.931  -1.885
  155    HD1  HIS  19           HD1      HIS  19  -4.119   4.721  -3.644
  156    HD2  HIS  19           HD2      HIS  19  -4.341   8.386  -1.693
  157    HE1  HIS  19           HE1      HIS  19  -5.988   5.974  -4.764
  158    HE2  HIS  19           HE2      HIS  19  -5.959   8.257  -3.700
  159    H    LEU  20           H        LEU  20  -2.786   3.227  -0.321
  160    HA   LEU  20           HA       LEU  20  -5.511   2.578  -0.771
  161    HB2  LEU  20           HB3      LEU  20  -3.173   0.756  -0.204
  162    HB3  LEU  20           HB2      LEU  20  -4.787   0.193  -0.552
  163    HG   LEU  20           HG       LEU  20  -3.516   0.021  -2.558
  164   HD11  LEU  20          HD11      LEU  20  -5.857   0.827  -2.722
  165   HD12  LEU  20          HD12      LEU  20  -4.838   1.286  -4.083
  166   HD13  LEU  20          HD13      LEU  20  -5.234   2.470  -2.838
  167   HD21  LEU  20          HD21      LEU  20  -2.858   2.940  -2.264
  168   HD22  LEU  20          HD22      LEU  20  -2.435   1.913  -3.634
  169   HD23  LEU  20          HD23      LEU  20  -1.737   1.595  -2.046
  170    H    GLU  21           H        GLU  21  -3.446   2.311   2.088
  171    HA   GLU  21           HA       GLU  21  -5.178   0.781   3.657
  172    HB2  GLU  21           HB3      GLU  21  -2.802   1.362   4.220
  173    HB3  GLU  21           HB2      GLU  21  -3.360   2.968   4.671
  174    HG2  GLU  21           HG3      GLU  21  -4.891   1.862   6.323
  175    HG3  GLU  21           HG2      GLU  21  -4.061   0.349   5.966
  176    H    ASN  22           H        ASN  22  -5.019   4.265   3.170
  177    HA   ASN  22           HA       ASN  22  -7.053   4.886   5.063
  178    HB2  ASN  22           HB3      ASN  22  -5.794   6.447   2.812
  179    HB3  ASN  22           HB2      ASN  22  -7.071   7.117   3.819
  180   HD21  ASN  22          HD21      ASN  22  -5.652   8.725   4.537
  181   HD22  ASN  22          HD22      ASN  22  -4.438   8.391   5.721
  182    H    GLU  23           H        GLU  23  -7.019   4.272   1.590
  183    HA   GLU  23           HA       GLU  23  -9.681   5.063   1.075
  184    HB2  GLU  23           HB3      GLU  23  -7.915   3.089  -0.374
  185    HB3  GLU  23           HB2      GLU  23  -9.472   3.645  -0.972
  186    HG2  GLU  23           HG3      GLU  23  -7.019   5.320  -0.494
  187    HG3  GLU  23           HG2      GLU  23  -7.707   4.865  -2.051
  188    H    VAL  24           H        VAL  24  -8.249   1.969   2.005
  189    HA   VAL  24           HA       VAL  24 -10.493   0.339   1.830
  190    HB   VAL  24           HB       VAL  24  -8.252   0.244   3.866
  191   HG11  VAL  24          HG11      VAL  24 -10.233  -0.964   4.676
  192   HG12  VAL  24          HG12      VAL  24  -8.907  -2.060   4.292
  193   HG13  VAL  24          HG13      VAL  24 -10.266  -1.898   3.179
  194   HG21  VAL  24          HG21      VAL  24  -8.699  -1.216   1.269
  195   HG22  VAL  24          HG22      VAL  24  -7.421  -1.589   2.420
  196   HG23  VAL  24          HG23      VAL  24  -7.450  -0.021   1.613
  197    H    ALA  25           H        ALA  25  -9.341   2.275   4.575
  198    HA   ALA  25           HA       ALA  25 -11.329   1.688   6.416
  199    HB1  ALA  25           HB1      ALA  25 -10.715   3.761   7.529
  200    HB2  ALA  25           HB2      ALA  25  -9.889   4.314   6.072
  201    HB3  ALA  25           HB3      ALA  25  -9.279   2.915   6.955
  202    H    ARG  26           H        ARG  26 -11.305   4.187   3.913
  203    HA   ARG  26           HA       ARG  26 -13.665   5.509   4.627
  204    HB2  ARG  26           HB3      ARG  26 -12.557   5.167   1.836
  205    HB3  ARG  26           HB2      ARG  26 -13.661   6.422   2.377
  206    HG2  ARG  26           HG3      ARG  26 -10.814   6.073   3.285
  207    HG3  ARG  26           HG2      ARG  26 -11.393   7.258   2.115
  208    HD2  ARG  26           HD2      ARG  26 -12.799   8.271   3.848
  209    HD3  ARG  26           HD1      ARG  26 -12.206   7.087   5.013
  210    HE   ARG  26           HE       ARG  26 -10.040   8.452   3.812
  211   HH11  ARG  26          HH11      ARG  26 -12.599   8.914   6.151
  212   HH12  ARG  26          HH12      ARG  26 -11.735  10.122   7.050
  213   HH21  ARG  26          HH21      ARG  26  -8.895  10.036   4.994
  214   HH22  ARG  26          HH22      ARG  26  -9.617  10.742   6.404
  215    H    LEU  27           H        LEU  27 -13.069   3.022   2.170
  216    HA   LEU  27           HA       LEU  27 -15.747   2.710   1.393
  217    HB2  LEU  27           HB3      LEU  27 -13.473   0.730   1.254
  218    HB3  LEU  27           HB2      LEU  27 -14.991   0.585   0.384
  219    HG   LEU  27           HG       LEU  27 -13.028   2.837   0.016
  220   HD11  LEU  27          HD11      LEU  27 -12.096   0.709  -0.716
  221   HD12  LEU  27          HD12      LEU  27 -12.454   1.763  -2.082
  222   HD13  LEU  27          HD13      LEU  27 -13.530   0.419  -1.700
  223   HD21  LEU  27          HD21      LEU  27 -15.485   2.040  -1.535
  224   HD22  LEU  27          HD22      LEU  27 -14.359   3.320  -1.986
  225   HD23  LEU  27          HD23      LEU  27 -15.316   3.467  -0.513
  226    H    LYS  28           H        LYS  28 -14.062   1.534   4.175
  227    HA   LYS  28           HA       LYS  28 -15.643  -0.744   4.698
  228    HB2  LYS  28           HB3      LYS  28 -13.942   1.000   6.468
  229    HB3  LYS  28           HB2      LYS  28 -14.869  -0.346   7.110
  230    HG2  LYS  28           HG3      LYS  28 -12.725  -0.539   5.006
  231    HG3  LYS  28           HG2      LYS  28 -12.539  -0.944   6.713
  232    HD2  LYS  28           HD3      LYS  28 -14.405  -2.616   6.404
  233    HD3  LYS  28           HD2      LYS  28 -14.266  -2.317   4.656
  234    HE2  LYS  28           HE3      LYS  28 -12.983  -4.274   5.235
  235    HE3  LYS  28           HE2      LYS  28 -11.882  -2.975   4.782
  236    HZ1  LYS  28           HZ1      LYS  28 -11.181  -4.216   6.778
  237    HZ2  LYS  28           HZ2      LYS  28 -12.574  -3.678   7.582
  238    HZ3  LYS  28           HZ3      LYS  28 -11.402  -2.565   7.074
  239    H    LYS  29           H        LYS  29 -15.779   2.573   6.106
  240    HA   LYS  29           HA       LYS  29 -18.208   1.849   7.473
  241    HB2  LYS  29           HB3      LYS  29 -18.320   4.062   8.358
  242    HB3  LYS  29           HB2      LYS  29 -16.668   3.492   8.469
  243    HG2  LYS  29           HG3      LYS  29 -17.481   5.143   6.133
  244    HG3  LYS  29           HG2      LYS  29 -17.207   5.919   7.693
  245    HD2  LYS  29           HD3      LYS  29 -15.223   4.128   6.308
  246    HD3  LYS  29           HD2      LYS  29 -15.227   5.881   6.217
  247    HE2  LYS  29           HE3      LYS  29 -15.003   4.314   8.778
  248    HE3  LYS  29           HE2      LYS  29 -13.633   4.967   7.891
  249    HZ1  LYS  29           HZ1      LYS  29 -15.855   6.582   9.013
  250    HZ2  LYS  29           HZ2      LYS  29 -14.483   7.182   8.228
  251    HZ3  LYS  29           HZ3      LYS  29 -14.332   6.401   9.721
  252    H    LEU  30           H        LEU  30 -17.573   2.720   4.338
  253    HA   LEU  30           HA       LEU  30 -20.134   3.956   3.842
  254    HB2  LEU  30           HB3      LEU  30 -17.801   3.132   2.171
  255    HB3  LEU  30           HB2      LEU  30 -19.353   3.264   1.380
  256    HG   LEU  30           HG       LEU  30 -19.443   5.601   1.652
  257   HD11  LEU  30          HD11      LEU  30 -18.899   5.693   4.040
  258   HD12  LEU  30          HD12      LEU  30 -17.961   6.870   3.121
  259   HD13  LEU  30          HD13      LEU  30 -17.204   5.374   3.669
  260   HD21  LEU  30          HD21      LEU  30 -16.542   4.892   1.266
  261   HD22  LEU  30          HD22      LEU  30 -17.311   6.411   0.805
  262   HD23  LEU  30          HD23      LEU  30 -17.787   4.907   0.017
  263    H    VAL  31           H        VAL  31 -18.626   0.849   2.854
  264    HA   VAL  31           HA       VAL  31 -21.067  -0.281   1.998
  265    HB   VAL  31           HB       VAL  31 -18.844  -1.083   1.266
  266   HG11  VAL  31          HG11      VAL  31 -18.680  -2.289   4.021
  267   HG12  VAL  31          HG12      VAL  31 -17.641  -1.025   3.365
  268   HG13  VAL  31          HG13      VAL  31 -17.593  -2.651   2.682
  269   HG21  VAL  31          HG21      VAL  31 -20.699  -2.490   0.828
  270   HG22  VAL  31          HG22      VAL  31 -20.713  -3.091   2.485
  271   HG23  VAL  31          HG23      VAL  31 -19.388  -3.519   1.406
  272    H    GLY  32           H        GLY  32 -19.498  -0.201   5.158
  273    HA2  GLY  32           HA3      GLY  32 -21.060  -0.315   7.053
  274    HA3  GLY  32           HA2      GLY  32 -21.835  -1.656   6.222
  275    H    GLU  33           H        GLU  33 -19.474  -2.967   5.383
  276    HA   GLU  33           HA       GLU  33 -18.017  -4.572   6.034
  277    HB2  GLU  33           HB3      GLU  33 -16.751  -2.654   6.999
  278    HB3  GLU  33           HB2      GLU  33 -17.628  -2.865   8.507
  279    HG2  GLU  33           HG3      GLU  33 -16.685  -5.157   8.672
  280    HG3  GLU  33           HG2      GLU  33 -15.712  -4.811   7.244
  281    H1   GLY   1           H1       GLY   1  26.526   1.462   3.379
  282    H2   GLY   1           H2       GLY   1  25.294   1.926   4.442
  283    H3   GLY   1           H3       GLY   1  24.990   1.838   2.779
  284    HA2  GLY   1           HA2      GLY   1  25.350  -0.553   2.812
  285    HA3  GLY   1           HA3      GLY   1  25.646  -0.454   4.543
  286    H    SER   2           H        SER   2  23.968  -1.559   5.363
  287    HA   SER   2           HA       SER   2  21.866  -2.027   6.067
  288    HB2  SER   2           HB3      SER   2  21.170   0.756   5.124
  289    HB3  SER   2           HB2      SER   2  20.321  -0.193   6.338
  290    HG   SER   2           HG       SER   2  22.582  -0.168   7.372
  291    H    MET   3           H        MET   3  22.609  -2.636   3.305
  292    HA   MET   3           HA       MET   3  20.460  -2.065   1.555
  293    HB2  MET   3           HB3      MET   3  22.535  -4.260   1.496
  294    HB3  MET   3           HB2      MET   3  21.361  -4.001   0.214
  295    HG2  MET   3           HG3      MET   3  22.261  -1.716  -0.088
  296    HG3  MET   3           HG2      MET   3  23.497  -2.080   1.116
  297    HE1  MET   3           HE1      MET   3  23.147  -4.215  -2.968
  298    HE2  MET   3           HE2      MET   3  22.083  -2.910  -2.448
  299    HE3  MET   3           HE3      MET   3  22.008  -4.480  -1.648
  300    H    LYS   4           H        LYS   4  21.191  -4.816   3.649
  301    HA   LYS   4           HA       LYS   4  18.929  -6.349   2.945
  302    HB2  LYS   4           HB3      LYS   4  20.907  -7.262   4.109
  303    HB3  LYS   4           HB2      LYS   4  20.470  -6.350   5.541
  304    HG2  LYS   4           HG3      LYS   4  18.454  -7.626   5.813
  305    HG3  LYS   4           HG2      LYS   4  18.739  -8.464   4.288
  306    HD2  LYS   4           HD3      LYS   4  20.766  -8.582   6.488
  307    HD3  LYS   4           HD2      LYS   4  19.353  -9.633   6.522
  308    HE2  LYS   4           HE3      LYS   4  21.220 -10.791   5.517
  309    HE3  LYS   4           HE2      LYS   4  19.973 -10.508   4.308
  310    HZ1  LYS   4           HZ1      LYS   4  22.258 -10.079   3.522
  311    HZ2  LYS   4           HZ2      LYS   4  22.389  -8.812   4.633
  312    HZ3  LYS   4           HZ3      LYS   4  21.248  -8.733   3.387
  313    H    GLN   5           H        GLN   5  19.420  -3.785   5.313
  314    HA   GLN   5           HA       GLN   5  16.991  -4.121   6.711
  315    HB2  GLN   5           HB3      GLN   5  18.846  -2.766   7.587
  316    HB3  GLN   5           HB2      GLN   5  18.621  -1.610   6.281
  317    HG2  GLN   5           HG3      GLN   5  16.365  -1.122   7.129
  318    HG3  GLN   5           HG2      GLN   5  16.647  -2.237   8.466
  319   HE21  GLN   5          HE21      GLN   5  16.073   0.617   8.512
  320   HE22  GLN   5          HE22      GLN   5  17.393   1.358   9.351
  321    H    LEU   6           H        LEU   6  17.911  -2.001   4.022
  322    HA   LEU   6           HA       LEU   6  15.329  -0.895   3.650
  323    HB2  LEU   6           HB3      LEU   6  17.643  -1.143   1.720
  324    HB3  LEU   6           HB2      LEU   6  16.176  -0.251   1.381
  325    HG   LEU   6           HG       LEU   6  18.103   0.394   3.619
  326   HD11  LEU   6          HD11      LEU   6  18.728   2.315   2.270
  327   HD12  LEU   6          HD12      LEU   6  17.655   1.774   0.980
  328   HD13  LEU   6          HD13      LEU   6  19.069   0.812   1.411
  329   HD21  LEU   6          HD21      LEU   6  15.843   1.057   4.169
  330   HD22  LEU   6          HD22      LEU   6  15.658   1.827   2.594
  331   HD23  LEU   6          HD23      LEU   6  16.800   2.482   3.767
  332    H    GLU   7           H        GLU   7  16.879  -3.801   2.530
  333    HA   GLU   7           HA       GLU   7  15.083  -4.506   0.509
  334    HB2  GLU   7           HB3      GLU   7  17.291  -5.545   0.836
  335    HB3  GLU   7           HB2      GLU   7  16.725  -6.280   2.327
  336    HG2  GLU   7           HG3      GLU   7  15.106  -7.601   1.076
  337    HG3  GLU   7           HG2      GLU   7  15.665  -6.841  -0.433
  338    H    ASP   8           H        ASP   8  15.091  -5.219   3.997
  339    HA   ASP   8           HA       ASP   8  12.768  -6.794   4.058
  340    HB2  ASP   8           HB3      ASP   8  14.144  -5.068   6.084
  341    HB3  ASP   8           HB2      ASP   8  12.548  -5.709   6.448
  342    H    LYS   9           H        LYS   9  13.206  -3.315   4.386
  343    HA   LYS   9           HA       LYS   9  10.520  -2.562   4.740
  344    HB2  LYS   9           HB3      LYS   9  12.297  -0.844   3.044
  345    HB3  LYS   9           HB2      LYS   9  11.111  -0.373   4.249
  346    HG2  LYS   9           HG3      LYS   9  13.754  -1.653   4.906
  347    HG3  LYS   9           HG2      LYS   9  13.437   0.079   4.940
  348    HD2  LYS   9           HD3      LYS   9  12.038  -1.997   6.634
  349    HD3  LYS   9           HD2      LYS   9  13.324  -0.925   7.176
  350    HE2  LYS   9           HE3      LYS   9  10.667   0.018   6.103
  351    HE3  LYS   9           HE2      LYS   9  11.042  -0.169   7.814
  352    HZ1  LYS   9           HZ1      LYS   9  12.453   1.644   5.928
  353    HZ2  LYS   9           HZ2      LYS   9  12.806   1.460   7.572
  354    HZ3  LYS   9           HZ3      LYS   9  11.324   2.114   7.094
  355    H    VAL  10           H        VAL  10  12.369  -2.744   1.702
  356    HA   VAL  10           HA       VAL  10  10.314  -1.742   0.057
  357    HB   VAL  10           HB       VAL  10  12.690  -1.806  -0.631
  358   HG11  VAL  10          HG11      VAL  10  13.224  -4.072   0.159
  359   HG12  VAL  10          HG12      VAL  10  13.683  -3.815  -1.524
  360   HG13  VAL  10          HG13      VAL  10  12.232  -4.739  -1.135
  361   HG21  VAL  10          HG21      VAL  10  10.916  -1.460  -2.264
  362   HG22  VAL  10          HG22      VAL  10  10.802  -3.203  -2.515
  363   HG23  VAL  10          HG23      VAL  10  12.271  -2.339  -2.969
  364    H    GLU  11           H        GLU  11  11.174  -4.928   1.152
  365    HA   GLU  11           HA       GLU  11   9.235  -6.296  -0.465
  366    HB2  GLU  11           HB3      GLU  11  10.885  -7.139   1.899
  367    HB3  GLU  11           HB2      GLU  11   9.679  -8.201   1.186
  368    HG2  GLU  11           HG3      GLU  11  10.874  -7.876  -1.012
  369    HG3  GLU  11           HG2      GLU  11  12.166  -7.108  -0.089
  370    H    GLU  12           H        GLU  12   9.313  -5.381   3.005
  371    HA   GLU  12           HA       GLU  12   6.863  -6.502   3.727
  372    HB2  GLU  12           HB3      GLU  12   8.584  -5.535   5.271
  373    HB3  GLU  12           HB2      GLU  12   8.039  -3.933   4.800
  374    HG2  GLU  12           HG3      GLU  12   7.072  -4.574   6.920
  375    HG3  GLU  12           HG2      GLU  12   5.817  -4.426   5.689
  376    H    LEU  13           H        LEU  13   7.455  -3.093   2.984
  377    HA   LEU  13           HA       LEU  13   4.864  -2.187   2.898
  378    HB2  LEU  13           HB3      LEU  13   7.207  -1.265   1.244
  379    HB3  LEU  13           HB2      LEU  13   5.723  -0.360   1.477
  380    HG   LEU  13           HG       LEU  13   7.605  -1.141   3.702
  381   HD11  LEU  13          HD11      LEU  13   8.699   0.425   2.233
  382   HD12  LEU  13          HD12      LEU  13   8.212   1.250   3.714
  383   HD13  LEU  13          HD13      LEU  13   7.279   1.467   2.233
  384   HD21  LEU  13          HD21      LEU  13   5.310  -0.854   4.445
  385   HD22  LEU  13          HD22      LEU  13   5.223   0.708   3.632
  386   HD23  LEU  13          HD23      LEU  13   6.310   0.488   5.004
  387    H    LEU  14           H        LEU  14   6.678  -3.690   0.237
  388    HA   LEU  14           HA       LEU  14   4.779  -3.166  -1.768
  389    HB2  LEU  14           HB3      LEU  14   7.049  -3.776  -2.344
  390    HB3  LEU  14           HB2      LEU  14   6.869  -5.342  -1.588
  391    HG   LEU  14           HG       LEU  14   5.136  -5.905  -3.299
  392   HD11  LEU  14          HD11      LEU  14   6.055  -3.319  -4.544
  393   HD12  LEU  14          HD12      LEU  14   4.444  -3.667  -3.916
  394   HD13  LEU  14          HD13      LEU  14   5.044  -4.531  -5.331
  395   HD21  LEU  14          HD21      LEU  14   6.746  -6.267  -5.107
  396   HD22  LEU  14          HD22      LEU  14   7.432  -6.664  -3.531
  397   HD23  LEU  14          HD23      LEU  14   7.868  -5.151  -4.329
  398    H    SER  15           H        SER  15   5.255  -6.018   0.328
  399    HA   SER  15           HA       SER  15   3.011  -7.397  -0.773
  400    HB2  SER  15           HB3      SER  15   3.315  -8.831   1.338
  401    HB3  SER  15           HB2      SER  15   4.658  -8.785   0.195
  402    HG   SER  15           HG       SER  15   5.781  -7.470   1.547
  403    H    LYS  16           H        LYS  16   3.507  -5.108   1.785
  404    HA   LYS  16           HA       LYS  16   0.988  -5.374   3.058
  405    HB2  LYS  16           HB3      LYS  16   2.996  -4.216   4.017
  406    HB3  LYS  16           HB2      LYS  16   2.742  -2.917   2.863
  407    HG2  LYS  16           HG3      LYS  16   1.867  -2.263   4.983
  408    HG3  LYS  16           HG2      LYS  16   0.523  -2.509   3.868
  409    HD2  LYS  16           HD3      LYS  16   0.105  -4.713   4.826
  410    HD3  LYS  16           HD2      LYS  16   1.476  -4.515   5.916
  411    HE2  LYS  16           HE3      LYS  16   0.373  -2.725   7.078
  412    HE3  LYS  16           HE2      LYS  16  -0.925  -2.688   5.885
  413    HZ1  LYS  16           HZ1      LYS  16  -1.537  -3.830   7.951
  414    HZ2  LYS  16           HZ2      LYS  16  -0.334  -4.983   7.672
  415    HZ3  LYS  16           HZ3      LYS  16  -1.637  -4.851   6.605
  416    H    ASN  17           H        ASN  17   2.243  -3.147   0.590
  417    HA   ASN  17           HA       ASN  17  -0.072  -1.692   0.051
  418    HB2  ASN  17           HB3      ASN  17   2.196  -1.221  -0.860
  419    HB3  ASN  17           HB2      ASN  17   2.022  -2.578  -1.946
  420   HD21  ASN  17          HD21      ASN  17   2.177  -1.310  -3.813
  421   HD22  ASN  17          HD22      ASN  17   0.913  -0.240  -4.298
  422    H    TYR  18           H        TYR  18   1.042  -4.757  -1.244
  423    HA   TYR  18           HA       TYR  18  -0.852  -5.246  -3.176
  424    HB2  TYR  18           HB3      TYR  18   1.134  -6.572  -2.947
  425    HB3  TYR  18           HB2      TYR  18   0.679  -7.068  -1.323
  426    HD1  TYR  18           HD1      TYR  18  -0.138  -7.433  -4.893
  427    HD2  TYR  18           HD2      TYR  18  -0.721  -8.909  -0.957
  428    HE1  TYR  18           HE1      TYR  18  -1.205  -9.432  -5.809
  429    HE2  TYR  18           HE2      TYR  18  -1.790 -10.909  -1.856
  430    HH   TYR  18           HH       TYR  18  -2.931 -11.667  -3.863
  431    H    HIS  19           H        HIS  19  -0.984  -5.725   0.315
  432    HA   HIS  19           HA       HIS  19  -3.409  -7.191   0.346
  433    HB2  HIS  19           HB3      HIS  19  -1.777  -7.106   2.242
  434    HB3  HIS  19           HB2      HIS  19  -2.281  -5.445   2.550
  435    HD1  HIS  19           HD1      HIS  19  -3.990  -5.258   4.332
  436    HD2  HIS  19           HD2      HIS  19  -4.180  -8.927   2.386
  437    HE1  HIS  19           HE1      HIS  19  -5.826  -6.536   5.474
  438    HE2  HIS  19           HE2      HIS  19  -5.800  -8.812   4.395
  439    H    LEU  20           H        LEU  20  -2.720  -3.744   0.990
  440    HA   LEU  20           HA       LEU  20  -5.446  -3.132   1.483
  441    HB2  LEU  20           HB3      LEU  20  -3.142  -1.278   0.887
  442    HB3  LEU  20           HB2      LEU  20  -4.759  -0.738   1.259
  443    HG   LEU  20           HG       LEU  20  -3.462  -0.552   3.248
  444   HD11  LEU  20          HD11      LEU  20  -5.791  -1.388   3.444
  445   HD12  LEU  20          HD12      LEU  20  -4.746  -1.836   4.790
  446   HD13  LEU  20          HD13      LEU  20  -5.144  -3.025   3.549
  447   HD21  LEU  20          HD21      LEU  20  -2.769  -3.461   2.943
  448   HD22  LEU  20          HD22      LEU  20  -2.342  -2.430   4.308
  449   HD23  LEU  20          HD23      LEU  20  -1.671  -2.101   2.711
  450    H    GLU  21           H        GLU  21  -3.427  -2.840  -1.402
  451    HA   GLU  21           HA       GLU  21  -5.201  -1.328  -2.943
  452    HB2  GLU  21           HB3      GLU  21  -2.827  -1.874  -3.542
  453    HB3  GLU  21           HB2      GLU  21  -3.369  -3.486  -3.986
  454    HG2  GLU  21           HG3      GLU  21  -4.936  -2.406  -5.617
  455    HG3  GLU  21           HG2      GLU  21  -4.134  -0.878  -5.267
  456    H    ASN  22           H        ASN  22  -4.989  -4.808  -2.457
  457    HA   ASN  22           HA       ASN  22  -7.036  -5.455  -4.328
  458    HB2  ASN  22           HB3      ASN  22  -5.728  -7.005  -2.097
  459    HB3  ASN  22           HB2      ASN  22  -7.010  -7.689  -3.091
  460   HD21  ASN  22          HD21      ASN  22  -5.600  -9.277  -3.856
  461   HD22  ASN  22          HD22      ASN  22  -4.390  -8.924  -5.041
  462    H    GLU  23           H        GLU  23  -6.965  -4.857  -0.852
  463    HA   GLU  23           HA       GLU  23  -9.609  -5.670  -0.300
  464    HB2  GLU  23           HB3      GLU  23  -7.840  -3.673   1.117
  465    HB3  GLU  23           HB2      GLU  23  -9.381  -4.245   1.741
  466    HG2  GLU  23           HG3      GLU  23  -6.930  -5.908   1.216
  467    HG3  GLU  23           HG2      GLU  23  -7.576  -5.439   2.789
  468    H    VAL  24           H        VAL  24  -8.231  -2.556  -1.247
  469    HA   VAL  24           HA       VAL  24 -10.496  -0.957  -1.044
  470    HB   VAL  24           HB       VAL  24  -8.281  -0.831  -3.107
  471   HG11  VAL  24          HG11      VAL  24 -10.287   0.349  -3.894
  472   HG12  VAL  24          HG12      VAL  24  -8.973   1.465  -3.523
  473   HG13  VAL  24          HG13      VAL  24 -10.316   1.281  -2.396
  474   HG21  VAL  24          HG21      VAL  24  -8.714   0.623  -0.504
  475   HG22  VAL  24          HG22      VAL  24  -7.457   1.014  -1.673
  476   HG23  VAL  24          HG23      VAL  24  -7.451  -0.553  -0.863
  477    H    ALA  25           H        ALA  25  -9.350  -2.875  -3.811
  478    HA   ALA  25           HA       ALA  25 -11.371  -2.312  -5.621
  479    HB1  ALA  25           HB1      ALA  25 -10.746  -4.381  -6.742
  480    HB2  ALA  25           HB2      ALA  25  -9.887  -4.916  -5.298
  481    HB3  ALA  25           HB3      ALA  25  -9.314  -3.509  -6.193
  482    H    ARG  26           H        ARG  26 -11.282  -4.809  -3.121
  483    HA   ARG  26           HA       ARG  26 -13.632  -6.165  -3.801
  484    HB2  ARG  26           HB3      ARG  26 -12.495  -5.811  -1.023
  485    HB3  ARG  26           HB2      ARG  26 -13.589  -7.079  -1.554
  486    HG2  ARG  26           HG3      ARG  26 -10.760  -6.691  -2.500
  487    HG3  ARG  26           HG2      ARG  26 -11.306  -7.886  -1.323
  488    HD2  ARG  26           HD2      ARG  26 -12.727  -8.910  -3.039
  489    HD3  ARG  26           HD1      ARG  26 -12.160  -7.720  -4.211
  490    HE   ARG  26           HE       ARG  26  -9.967  -9.062  -3.042
  491   HH11  ARG  26          HH11      ARG  26 -12.550  -9.556  -5.347
  492   HH12  ARG  26          HH12      ARG  26 -11.681 -10.753  -6.251
  493   HH21  ARG  26          HH21      ARG  26  -8.817 -10.627  -4.239
  494   HH22  ARG  26          HH22      ARG  26  -9.549 -11.345  -5.635
  495    H    LEU  27           H        LEU  27 -13.038  -3.672  -1.352
  496    HA   LEU  27           HA       LEU  27 -15.711  -3.400  -0.538
  497    HB2  LEU  27           HB3      LEU  27 -13.463  -1.388  -0.425
  498    HB3  LEU  27           HB2      LEU  27 -14.971  -1.267   0.466
  499    HG   LEU  27           HG       LEU  27 -12.969  -3.489   0.802
  500   HD11  LEU  27          HD11      LEU  27 -12.054  -1.351   1.525
  501   HD12  LEU  27          HD12      LEU  27 -12.381  -2.410   2.896
  502   HD13  LEU  27          HD13      LEU  27 -13.479  -1.080   2.528
  503   HD21  LEU  27          HD21      LEU  27 -15.415  -2.729   2.388
  504   HD22  LEU  27          HD22      LEU  27 -14.264  -3.993   2.823
  505   HD23  LEU  27          HD23      LEU  27 -15.239  -4.153   1.363
  506    H    LYS  28           H        LYS  28 -14.078  -2.193  -3.338
  507    HA   LYS  28           HA       LYS  28 -15.697   0.060  -3.837
  508    HB2  LYS  28           HB3      LYS  28 -13.998  -1.659  -5.634
  509    HB3  LYS  28           HB2      LYS  28 -14.953  -0.325  -6.261
  510    HG2  LYS  28           HG3      LYS  28 -12.781  -0.105  -4.187
  511    HG3  LYS  28           HG2      LYS  28 -12.627   0.304  -5.895
  512    HD2  LYS  28           HD3      LYS  28 -14.510   1.949  -5.558
  513    HD3  LYS  28           HD2      LYS  28 -14.340   1.651  -3.811
  514    HE2  LYS  28           HE3      LYS  28 -13.095   3.629  -4.415
  515    HE3  LYS  28           HE2      LYS  28 -11.970   2.345  -3.975
  516    HZ1  LYS  28           HZ1      LYS  28 -11.317   3.590  -5.985
  517    HZ2  LYS  28           HZ2      LYS  28 -12.716   3.032  -6.767
  518    HZ3  LYS  28           HZ3      LYS  28 -11.520   1.935  -6.273
  519    H    LYS  29           H        LYS  29 -15.811  -3.260  -5.239
  520    HA   LYS  29           HA       LYS  29 -18.269  -2.567  -6.574
  521    HB2  LYS  29           HB3      LYS  29 -18.361  -4.776  -7.467
  522    HB3  LYS  29           HB2      LYS  29 -16.717  -4.182  -7.596
  523    HG2  LYS  29           HG3      LYS  29 -17.472  -5.851  -5.253
  524    HG3  LYS  29           HG2      LYS  29 -17.215  -6.620  -6.819
  525    HD2  LYS  29           HD3      LYS  29 -15.231  -4.805  -5.466
  526    HD3  LYS  29           HD2      LYS  29 -15.210  -6.557  -5.371
  527    HE2  LYS  29           HE3      LYS  29 -15.033  -4.984  -7.933
  528    HE3  LYS  29           HE2      LYS  29 -13.648  -5.639  -7.066
  529    HZ1  LYS  29           HZ1      LYS  29 -15.883  -7.254  -8.170
  530    HZ2  LYS  29           HZ2      LYS  29 -14.492  -7.852  -7.414
  531    HZ3  LYS  29           HZ3      LYS  29 -14.371  -7.061  -8.902
  532    H    LEU  30           H        LEU  30 -17.580  -3.422  -3.451
  533    HA   LEU  30           HA       LEU  30 -20.115  -4.699  -2.922
  534    HB2  LEU  30           HB3      LEU  30 -17.769  -3.843  -1.285
  535    HB3  LEU  30           HB2      LEU  30 -19.306  -3.996  -0.469
  536    HG   LEU  30           HG       LEU  30 -19.369  -6.335  -0.744
  537   HD11  LEU  30          HD11      LEU  30 -18.856  -6.415  -3.139
  538   HD12  LEU  30          HD12      LEU  30 -17.891  -7.581  -2.234
  539   HD13  LEU  30          HD13      LEU  30 -17.162  -6.075  -2.790
  540   HD21  LEU  30          HD21      LEU  30 -16.471  -5.585  -0.398
  541   HD22  LEU  30          HD22      LEU  30 -17.213  -7.114   0.075
  542   HD23  LEU  30          HD23      LEU  30 -17.698  -5.615   0.868
  543    H    VAL  31           H        VAL  31 -18.637  -1.573  -1.954
  544    HA   VAL  31           HA       VAL  31 -21.074  -0.473  -1.058
  545    HB   VAL  31           HB       VAL  31 -18.847   0.354  -0.360
  546   HG11  VAL  31          HG11      VAL  31 -18.745   1.562  -3.118
  547   HG12  VAL  31          HG12      VAL  31 -17.677   0.313  -2.477
  548   HG13  VAL  31          HG13      VAL  31 -17.640   1.940  -1.797
  549   HG21  VAL  31          HG21      VAL  31 -20.710   1.737   0.107
  550   HG22  VAL  31          HG22      VAL  31 -20.759   2.337  -1.548
  551   HG23  VAL  31          HG23      VAL  31 -19.423   2.783  -0.489
  552    H    GLY  32           H        GLY  32 -19.556  -0.530  -4.244
  553    HA2  GLY  32           HA3      GLY  32 -21.150  -0.424  -6.114
  554    HA3  GLY  32           HA2      GLY  32 -21.917   0.915  -5.273
  555    H    GLU  33           H        GLU  33 -19.567   2.250  -4.470
  556    HA   GLU  33           HA       GLU  33 -18.138   3.866  -5.145
  557    HB2  GLU  33           HB3      GLU  33 -16.861   1.963  -6.123
  558    HB3  GLU  33           HB2      GLU  33 -17.756   2.166  -7.623
  559    HG2  GLU  33           HG3      GLU  33 -16.847   4.472  -7.790
  560    HG3  GLU  33           HG2      GLU  33 -15.855   4.136  -6.372
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  26.002  -0.348  -3.223
    2    H2   GLY   1           H2       GLY   1  26.609  -0.180  -4.790
    3    H3   GLY   1           H3       GLY   1  26.647  -1.688  -4.029
    4    HA2  GLY   1           HA2      GLY   1  24.876  -1.593  -5.668
    5    HA3  GLY   1           HA3      GLY   1  24.251  -1.811  -4.040
    6    H    SER   2           H        SER   2  22.496  -0.909  -5.820
    7    HA   SER   2           HA       SER   2  22.433   1.982  -5.816
    8    HB2  SER   2           HB3      SER   2  20.333   0.002  -6.731
    9    HB3  SER   2           HB2      SER   2  20.365   1.730  -7.085
   10    HG   SER   2           HG       SER   2  22.703   0.635  -7.798
   11    H    MET   3           H        MET   3  22.542   1.907  -3.374
   12    HA   MET   3           HA       MET   3  20.265   0.998  -1.911
   13    HB2  MET   3           HB3      MET   3  22.520   1.152  -0.917
   14    HB3  MET   3           HB2      MET   3  22.463   2.900  -1.075
   15    HG2  MET   3           HG3      MET   3  20.607   3.008   0.479
   16    HG3  MET   3           HG2      MET   3  20.588   1.250   0.600
   17    HE1  MET   3           HE1      MET   3  20.697   1.433   3.246
   18    HE2  MET   3           HE2      MET   3  20.727   3.193   3.135
   19    HE3  MET   3           HE3      MET   3  21.928   2.349   4.113
   20    H    LYS   4           H        LYS   4  21.316   4.080  -3.237
   21    HA   LYS   4           HA       LYS   4  19.347   5.689  -2.026
   22    HB2  LYS   4           HB3      LYS   4  21.378   6.565  -3.152
   23    HB3  LYS   4           HB2      LYS   4  20.689   6.110  -4.701
   24    HG2  LYS   4           HG3      LYS   4  20.420   8.491  -4.256
   25    HG3  LYS   4           HG2      LYS   4  18.864   7.673  -4.386
   26    HD2  LYS   4           HD3      LYS   4  18.805   9.229  -2.541
   27    HD3  LYS   4           HD2      LYS   4  18.746   7.583  -1.916
   28    HE2  LYS   4           HE3      LYS   4  20.241   8.841  -0.542
   29    HE3  LYS   4           HE2      LYS   4  21.205   7.730  -1.512
   30    HZ1  LYS   4           HZ1      LYS   4  22.185   9.939  -1.437
   31    HZ2  LYS   4           HZ2      LYS   4  20.782  10.607  -2.105
   32    HZ3  LYS   4           HZ3      LYS   4  21.726   9.541  -3.016
   33    H    GLN   5           H        GLN   5  19.292   3.673  -4.905
   34    HA   GLN   5           HA       GLN   5  16.826   4.516  -5.955
   35    HB2  GLN   5           HB3      GLN   5  18.343   3.033  -7.192
   36    HB3  GLN   5           HB2      GLN   5  18.086   1.764  -6.004
   37    HG2  GLN   5           HG3      GLN   5  15.667   1.783  -6.622
   38    HG3  GLN   5           HG2      GLN   5  16.069   2.897  -7.925
   39   HE21  GLN   5          HE21      GLN   5  18.144   0.279  -6.904
   40   HE22  GLN   5          HE22      GLN   5  17.966  -0.678  -8.330
   41    H    LEU   6           H        LEU   6  17.686   2.171  -3.478
   42    HA   LEU   6           HA       LEU   6  15.063   1.162  -3.080
   43    HB2  LEU   6           HB3      LEU   6  17.439   1.151  -1.215
   44    HB3  LEU   6           HB2      LEU   6  15.949   0.277  -0.932
   45    HG   LEU   6           HG       LEU   6  17.905  -0.227  -3.180
   46   HD11  LEU   6          HD11      LEU   6  17.155  -1.908  -0.800
   47   HD12  LEU   6          HD12      LEU   6  18.639  -0.970  -0.957
   48   HD13  LEU   6          HD13      LEU   6  18.329  -2.317  -2.051
   49   HD21  LEU   6          HD21      LEU   6  15.297  -1.585  -2.515
   50   HD22  LEU   6          HD22      LEU   6  16.478  -2.172  -3.683
   51   HD23  LEU   6          HD23      LEU   6  15.653  -0.641  -3.961
   52    H    GLU   7           H        GLU   7  16.827   3.882  -1.786
   53    HA   GLU   7           HA       GLU   7  15.200   4.577   0.365
   54    HB2  GLU   7           HB3      GLU   7  16.763   6.287  -1.569
   55    HB3  GLU   7           HB2      GLU   7  15.945   6.946  -0.159
   56    HG2  GLU   7           HG3      GLU   7  17.999   4.757   0.019
   57    HG3  GLU   7           HG2      GLU   7  18.406   6.487   0.096
   58    H    ASP   8           H        ASP   8  14.918   5.484  -3.064
   59    HA   ASP   8           HA       ASP   8  12.487   6.939  -2.658
   60    HB2  ASP   8           HB3      ASP   8  13.845   5.946  -5.163
   61    HB3  ASP   8           HB2      ASP   8  12.351   6.876  -5.181
   62    H    LYS   9           H        LYS   9  13.292   3.647  -3.217
   63    HA   LYS   9           HA       LYS   9  10.786   2.747  -4.201
   64    HB2  LYS   9           HB3      LYS   9  13.028   1.387  -2.743
   65    HB3  LYS   9           HB2      LYS   9  11.567   0.552  -3.211
   66    HG2  LYS   9           HG3      LYS   9  13.488   1.923  -5.084
   67    HG3  LYS   9           HG2      LYS   9  13.403   0.187  -4.798
   68    HD2  LYS   9           HD3      LYS   9  11.157   1.861  -5.917
   69    HD3  LYS   9           HD2      LYS   9  12.275   0.902  -6.886
   70    HE2  LYS   9           HE3      LYS   9  11.527  -1.120  -5.674
   71    HE3  LYS   9           HE2      LYS   9  10.350  -0.134  -4.808
   72    HZ1  LYS   9           HZ1      LYS   9   9.380  -1.290  -6.711
   73    HZ2  LYS   9           HZ2      LYS   9  10.436  -0.483  -7.753
   74    HZ3  LYS   9           HZ3      LYS   9   9.276   0.389  -6.887
   75    H    VAL  10           H        VAL  10  12.243   2.633  -0.989
   76    HA   VAL  10           HA       VAL  10  10.063   1.592   0.448
   77    HB   VAL  10           HB       VAL  10  12.223   3.480   1.425
   78   HG11  VAL  10          HG11      VAL  10  10.397   1.633   2.963
   79   HG12  VAL  10          HG12      VAL  10  10.328   3.395   2.957
   80   HG13  VAL  10          HG13      VAL  10  11.726   2.570   3.647
   81   HG21  VAL  10          HG21      VAL  10  13.349   1.441   2.201
   82   HG22  VAL  10          HG22      VAL  10  13.162   1.462   0.448
   83   HG23  VAL  10          HG23      VAL  10  12.095   0.466   1.438
   84    H    GLU  11           H        GLU  11  10.921   4.648  -0.772
   85    HA   GLU  11           HA       GLU  11   9.114   6.251   0.783
   86    HB2  GLU  11           HB3      GLU  11  11.261   7.049  -0.272
   87    HB3  GLU  11           HB2      GLU  11  10.452   6.970  -1.829
   88    HG2  GLU  11           HG3      GLU  11   9.225   8.580   0.352
   89    HG3  GLU  11           HG2      GLU  11  10.629   9.216  -0.499
   90    H    GLU  12           H        GLU  12   9.122   5.176  -2.642
   91    HA   GLU  12           HA       GLU  12   6.700   6.361  -3.394
   92    HB2  GLU  12           HB3      GLU  12   8.391   5.305  -4.916
   93    HB3  GLU  12           HB2      GLU  12   7.805   3.731  -4.401
   94    HG2  GLU  12           HG3      GLU  12   6.799   4.223  -6.488
   95    HG3  GLU  12           HG2      GLU  12   5.551   4.378  -5.251
   96    H    LEU  13           H        LEU  13   7.273   3.012  -2.472
   97    HA   LEU  13           HA       LEU  13   4.751   2.008  -2.295
   98    HB2  LEU  13           HB3      LEU  13   7.073   1.468  -0.456
   99    HB3  LEU  13           HB2      LEU  13   5.640   0.464  -0.575
  100    HG   LEU  13           HG       LEU  13   7.528   0.993  -2.867
  101   HD11  LEU  13          HD11      LEU  13   8.664  -0.240  -1.113
  102   HD12  LEU  13          HD12      LEU  13   8.324  -1.290  -2.490
  103   HD13  LEU  13          HD13      LEU  13   7.330  -1.391  -1.037
  104   HD21  LEU  13          HD21      LEU  13   5.269  -0.976  -2.521
  105   HD22  LEU  13          HD22      LEU  13   6.362  -0.902  -3.903
  106   HD23  LEU  13          HD23      LEU  13   5.268   0.440  -3.572
  107    H    LEU  14           H        LEU  14   6.400   3.859   0.257
  108    HA   LEU  14           HA       LEU  14   4.437   3.690   2.222
  109    HB2  LEU  14           HB3      LEU  14   6.699   5.493   1.748
  110    HB3  LEU  14           HB2      LEU  14   5.338   6.298   2.491
  111    HG   LEU  14           HG       LEU  14   7.017   5.448   4.123
  112   HD11  LEU  14          HD11      LEU  14   4.295   4.162   4.334
  113   HD12  LEU  14          HD12      LEU  14   4.684   5.824   4.775
  114   HD13  LEU  14          HD13      LEU  14   5.409   4.483   5.661
  115   HD21  LEU  14          HD21      LEU  14   6.068   2.746   3.187
  116   HD22  LEU  14          HD22      LEU  14   7.101   3.052   4.582
  117   HD23  LEU  14          HD23      LEU  14   7.681   3.422   2.959
  118    H    SER  15           H        SER  15   4.784   6.110  -0.356
  119    HA   SER  15           HA       SER  15   2.507   7.616   0.278
  120    HB2  SER  15           HB3      SER  15   4.281   8.340  -1.306
  121    HB3  SER  15           HB2      SER  15   3.711   7.140  -2.464
  122    HG   SER  15           HG       SER  15   2.654   8.913  -3.073
  123    H    LYS  16           H        LYS  16   2.931   4.752  -1.739
  124    HA   LYS  16           HA       LYS  16   0.248   4.596  -2.653
  125    HB2  LYS  16           HB3      LYS  16   2.216   3.437  -3.693
  126    HB3  LYS  16           HB2      LYS  16   2.237   2.341  -2.321
  127    HG2  LYS  16           HG3      LYS  16   1.138   1.253  -4.133
  128    HG3  LYS  16           HG2      LYS  16  -0.074   1.650  -2.912
  129    HD2  LYS  16           HD3      LYS  16  -0.828   3.537  -4.193
  130    HD3  LYS  16           HD2      LYS  16   0.495   3.343  -5.341
  131    HE2  LYS  16           HE3      LYS  16  -0.450   1.104  -5.927
  132    HE3  LYS  16           HE2      LYS  16  -1.840   1.481  -4.912
  133    HZ1  LYS  16           HZ1      LYS  16  -0.971   3.047  -7.280
  134    HZ2  LYS  16           HZ2      LYS  16  -2.322   3.375  -6.319
  135    HZ3  LYS  16           HZ3      LYS  16  -2.266   1.961  -7.243
  136    H    ASN  17           H        ASN  17   2.010   3.036   0.000
  137    HA   ASN  17           HA       ASN  17  -0.013   1.455   1.059
  138    HB2  ASN  17           HB3      ASN  17   2.103   1.093   1.983
  139    HB3  ASN  17           HB2      ASN  17   2.394   2.806   2.234
  140   HD21  ASN  17          HD21      ASN  17   0.823  -0.050   3.534
  141   HD22  ASN  17          HD22      ASN  17   0.528   0.609   5.100
  142    H    TYR  18           H        TYR  18   0.814   4.809   1.886
  143    HA   TYR  18           HA       TYR  18  -1.155   5.182   3.844
  144    HB2  TYR  18           HB3      TYR  18   0.266   7.116   2.027
  145    HB3  TYR  18           HB2      TYR  18  -0.988   7.666   3.128
  146    HD1  TYR  18           HD1      TYR  18  -0.369   5.937   5.506
  147    HD2  TYR  18           HD2      TYR  18   2.189   8.140   2.899
  148    HE1  TYR  18           HE1      TYR  18   1.289   6.144   7.306
  149    HE2  TYR  18           HE2      TYR  18   3.849   8.339   4.696
  150    HH   TYR  18           HH       TYR  18   3.954   8.272   7.110
  151    H    HIS  19           H        HIS  19  -1.242   5.841   0.368
  152    HA   HIS  19           HA       HIS  19  -3.792   6.974   0.266
  153    HB2  HIS  19           HB3      HIS  19  -2.117   7.033  -1.580
  154    HB3  HIS  19           HB2      HIS  19  -2.449   5.333  -1.891
  155    HD1  HIS  19           HD1      HIS  19  -3.792   8.750  -2.447
  156    HD2  HIS  19           HD2      HIS  19  -4.970   4.814  -3.090
  157    HE1  HIS  19           HE1      HIS  19  -5.753   8.877  -4.017
  158    HE2  HIS  19           HE2      HIS  19  -6.376   6.481  -4.477
  159    H    LEU  20           H        LEU  20  -2.803   3.595  -0.309
  160    HA   LEU  20           HA       LEU  20  -5.428   2.663  -0.798
  161    HB2  LEU  20           HB3      LEU  20  -3.068   1.066   0.209
  162    HB3  LEU  20           HB2      LEU  20  -4.523   0.422  -0.516
  163    HG   LEU  20           HG       LEU  20  -2.532   2.168  -1.962
  164   HD11  LEU  20          HD11      LEU  20  -1.550   0.026  -1.414
  165   HD12  LEU  20          HD12      LEU  20  -1.920   0.102  -3.138
  166   HD13  LEU  20          HD13      LEU  20  -2.968  -0.809  -2.051
  167   HD21  LEU  20          HD21      LEU  20  -4.793   2.369  -2.843
  168   HD22  LEU  20          HD22      LEU  20  -4.920   0.614  -2.949
  169   HD23  LEU  20          HD23      LEU  20  -3.764   1.478  -3.963
  170    H    GLU  21           H        GLU  21  -3.389   2.559   2.114
  171    HA   GLU  21           HA       GLU  21  -5.126   1.023   3.674
  172    HB2  GLU  21           HB3      GLU  21  -2.658   1.790   4.082
  173    HB3  GLU  21           HB2      GLU  21  -3.407   3.155   4.895
  174    HG2  GLU  21           HG3      GLU  21  -4.645   1.505   6.316
  175    HG3  GLU  21           HG2      GLU  21  -3.639   0.243   5.601
  176    H    ASN  22           H        ASN  22  -4.946   4.515   3.195
  177    HA   ASN  22           HA       ASN  22  -6.901   5.158   5.157
  178    HB2  ASN  22           HB3      ASN  22  -5.754   6.679   2.824
  179    HB3  ASN  22           HB2      ASN  22  -7.033   7.351   3.831
  180   HD21  ASN  22          HD21      ASN  22  -4.285   8.250   3.440
  181   HD22  ASN  22          HD22      ASN  22  -3.569   8.279   5.013
  182    H    GLU  23           H        GLU  23  -7.057   4.665   1.633
  183    HA   GLU  23           HA       GLU  23  -9.815   5.366   1.519
  184    HB2  GLU  23           HB3      GLU  23  -9.739   4.898  -0.770
  185    HB3  GLU  23           HB2      GLU  23  -8.119   5.456  -0.391
  186    HG2  GLU  23           HG3      GLU  23  -7.313   3.178  -0.384
  187    HG3  GLU  23           HG2      GLU  23  -8.943   2.589  -0.718
  188    H    VAL  24           H        VAL  24  -8.068   2.375   2.038
  189    HA   VAL  24           HA       VAL  24 -10.106   0.497   1.789
  190    HB   VAL  24           HB       VAL  24  -7.884   0.659   3.845
  191   HG11  VAL  24          HG11      VAL  24  -8.334  -1.702   4.335
  192   HG12  VAL  24          HG12      VAL  24  -9.757  -1.642   3.296
  193   HG13  VAL  24          HG13      VAL  24  -9.701  -0.677   4.771
  194   HG21  VAL  24          HG21      VAL  24  -7.139   0.362   1.549
  195   HG22  VAL  24          HG22      VAL  24  -8.221  -1.018   1.363
  196   HG23  VAL  24          HG23      VAL  24  -6.865  -1.106   2.487
  197    H    ALA  25           H        ALA  25  -9.195   2.376   4.684
  198    HA   ALA  25           HA       ALA  25 -11.266   1.542   6.355
  199    HB1  ALA  25           HB1      ALA  25  -9.274   2.727   7.140
  200    HB2  ALA  25           HB2      ALA  25 -10.755   3.496   7.708
  201    HB3  ALA  25           HB3      ALA  25  -9.853   4.204   6.370
  202    H    ARG  26           H        ARG  26 -11.114   4.322   4.153
  203    HA   ARG  26           HA       ARG  26 -13.590   5.456   4.724
  204    HB2  ARG  26           HB3      ARG  26 -11.995   6.620   3.351
  205    HB3  ARG  26           HB2      ARG  26 -12.022   5.342   2.146
  206    HG2  ARG  26           HG3      ARG  26 -14.283   5.899   1.534
  207    HG3  ARG  26           HG2      ARG  26 -14.376   7.091   2.831
  208    HD2  ARG  26           HD2      ARG  26 -12.428   7.212   0.535
  209    HD3  ARG  26           HD1      ARG  26 -13.965   8.074   0.587
  210    HE   ARG  26           HE       ARG  26 -12.770   8.868   2.866
  211   HH11  ARG  26          HH11      ARG  26 -11.649   8.757  -0.450
  212   HH12  ARG  26          HH12      ARG  26 -10.630  10.151  -0.283
  213   HH21  ARG  26          HH21      ARG  26 -11.426  10.706   3.082
  214   HH22  ARG  26          HH22      ARG  26 -10.492  11.248   1.722
  215    H    LEU  27           H        LEU  27 -12.753   2.994   2.296
  216    HA   LEU  27           HA       LEU  27 -15.346   2.721   1.251
  217    HB2  LEU  27           HB3      LEU  27 -13.035   0.781   1.295
  218    HB3  LEU  27           HB2      LEU  27 -14.502   0.546   0.366
  219    HG   LEU  27           HG       LEU  27 -12.666   2.901   0.014
  220   HD11  LEU  27          HD11      LEU  27 -11.485   0.851  -0.530
  221   HD12  LEU  27          HD12      LEU  27 -11.856   1.771  -1.988
  222   HD13  LEU  27          HD13      LEU  27 -12.816   0.352  -1.574
  223   HD21  LEU  27          HD21      LEU  27 -13.869   3.151  -2.116
  224   HD22  LEU  27          HD22      LEU  27 -14.937   3.316  -0.724
  225   HD23  LEU  27          HD23      LEU  27 -14.929   1.820  -1.657
  226    H    LYS  28           H        LYS  28 -13.809   1.215   4.027
  227    HA   LYS  28           HA       LYS  28 -15.748  -0.827   4.374
  228    HB2  LYS  28           HB3      LYS  28 -13.701   0.376   6.232
  229    HB3  LYS  28           HB2      LYS  28 -14.792  -0.904   6.742
  230    HG2  LYS  28           HG3      LYS  28 -13.886  -2.393   5.058
  231    HG3  LYS  28           HG2      LYS  28 -12.855  -1.099   4.445
  232    HD2  LYS  28           HD3      LYS  28 -11.583  -1.055   6.470
  233    HD3  LYS  28           HD2      LYS  28 -12.729  -2.158   7.268
  234    HE2  LYS  28           HE3      LYS  28 -11.054  -2.879   4.851
  235    HE3  LYS  28           HE2      LYS  28 -10.616  -3.250   6.518
  236    HZ1  LYS  28           HZ1      LYS  28 -11.700  -5.112   5.369
  237    HZ2  LYS  28           HZ2      LYS  28 -13.099  -4.186   5.183
  238    HZ3  LYS  28           HZ3      LYS  28 -12.569  -4.610   6.728
  239    H    LYS  29           H        LYS  29 -15.361   2.408   5.826
  240    HA   LYS  29           HA       LYS  29 -17.677   2.180   7.446
  241    HB2  LYS  29           HB3      LYS  29 -17.407   4.483   7.941
  242    HB3  LYS  29           HB2      LYS  29 -15.790   3.816   7.786
  243    HG2  LYS  29           HG3      LYS  29 -15.623   4.738   5.533
  244    HG3  LYS  29           HG2      LYS  29 -17.249   5.406   5.687
  245    HD2  LYS  29           HD3      LYS  29 -16.416   6.655   7.708
  246    HD3  LYS  29           HD2      LYS  29 -14.788   6.148   7.255
  247    HE2  LYS  29           HE3      LYS  29 -15.132   8.339   6.376
  248    HE3  LYS  29           HE2      LYS  29 -15.159   7.209   5.024
  249    HZ1  LYS  29           HZ1      LYS  29 -17.520   8.438   6.339
  250    HZ2  LYS  29           HZ2      LYS  29 -17.603   7.280   5.115
  251    HZ3  LYS  29           HZ3      LYS  29 -16.929   8.796   4.795
  252    H    LEU  30           H        LEU  30 -17.246   2.709   4.102
  253    HA   LEU  30           HA       LEU  30 -19.761   4.064   3.685
  254    HB2  LEU  30           HB3      LEU  30 -17.832   2.790   1.747
  255    HB3  LEU  30           HB2      LEU  30 -19.288   3.638   1.268
  256    HG   LEU  30           HG       LEU  30 -16.934   4.865   2.707
  257   HD11  LEU  30          HD11      LEU  30 -16.443   4.310   0.385
  258   HD12  LEU  30          HD12      LEU  30 -16.568   6.054   0.605
  259   HD13  LEU  30          HD13      LEU  30 -17.896   5.162  -0.136
  260   HD21  LEU  30          HD21      LEU  30 -18.076   6.990   2.304
  261   HD22  LEU  30          HD22      LEU  30 -19.030   5.929   3.340
  262   HD23  LEU  30          HD23      LEU  30 -19.459   6.121   1.639
  263    H    VAL  31           H        VAL  31 -18.495   0.845   2.755
  264    HA   VAL  31           HA       VAL  31 -20.991  -0.162   1.959
  265    HB   VAL  31           HB       VAL  31 -18.853  -1.145   1.255
  266   HG11  VAL  31          HG11      VAL  31 -17.613  -0.990   3.338
  267   HG12  VAL  31          HG12      VAL  31 -17.621  -2.650   2.740
  268   HG13  VAL  31          HG13      VAL  31 -18.675  -2.189   4.076
  269   HG21  VAL  31          HG21      VAL  31 -19.498  -3.518   1.497
  270   HG22  VAL  31          HG22      VAL  31 -20.829  -2.474   1.004
  271   HG23  VAL  31          HG23      VAL  31 -20.717  -3.031   2.672
  272    H    GLY  32           H        GLY  32 -19.446  -0.032   5.120
  273    HA2  GLY  32           HA3      GLY  32 -21.634  -1.622   6.259
  274    HA3  GLY  32           HA2      GLY  32 -20.145  -1.182   7.082
  275    H    GLU  33           H        GLU  33 -22.313   0.918   5.263
  276    HA   GLU  33           HA       GLU  33 -22.682   2.518   7.702
  277    HB2  GLU  33           HB3      GLU  33 -21.570   3.659   5.803
  278    HB3  GLU  33           HB2      GLU  33 -22.965   3.314   4.794
  279    HG2  GLU  33           HG3      GLU  33 -24.359   4.703   6.242
  280    HG3  GLU  33           HG2      GLU  33 -22.950   5.064   7.241
  281    H1   GLY   1           H1       GLY   1  26.025   0.233   3.540
  282    H2   GLY   1           H2       GLY   1  26.653   0.056   5.100
  283    H3   GLY   1           H3       GLY   1  26.659   1.574   4.354
  284    HA2  GLY   1           HA2      GLY   1  24.908   1.434   6.008
  285    HA3  GLY   1           HA3      GLY   1  24.264   1.660   4.388
  286    H    SER   2           H        SER   2  22.548   0.713   6.189
  287    HA   SER   2           HA       SER   2  22.525  -2.178   6.154
  288    HB2  SER   2           HB3      SER   2  20.415  -0.234   7.126
  289    HB3  SER   2           HB2      SER   2  20.464  -1.967   7.450
  290    HG   SER   2           HG       SER   2  22.804  -0.838   8.145
  291    H    MET   3           H        MET   3  22.602  -2.086   3.720
  292    HA   MET   3           HA       MET   3  20.293  -1.198   2.288
  293    HB2  MET   3           HB3      MET   3  22.539  -1.313   1.266
  294    HB3  MET   3           HB2      MET   3  22.506  -3.064   1.409
  295    HG2  MET   3           HG3      MET   3  20.626  -3.178  -0.118
  296    HG3  MET   3           HG2      MET   3  20.590  -1.420  -0.226
  297    HE1  MET   3           HE1      MET   3  20.663  -1.578  -2.870
  298    HE2  MET   3           HE2      MET   3  20.714  -3.339  -2.781
  299    HE3  MET   3           HE3      MET   3  21.891  -2.472  -3.766
  300    H    LYS   4           H        LYS   4  21.403  -4.271   3.589
  301    HA   LYS   4           HA       LYS   4  19.443  -5.900   2.382
  302    HB2  LYS   4           HB3      LYS   4  21.500  -6.764   3.466
  303    HB3  LYS   4           HB2      LYS   4  20.835  -6.328   5.030
  304    HG2  LYS   4           HG3      LYS   4  20.583  -8.709   4.579
  305    HG3  LYS   4           HG2      LYS   4  19.018  -7.911   4.732
  306    HD2  LYS   4           HD3      LYS   4  18.958  -9.460   2.878
  307    HD3  LYS   4           HD2      LYS   4  18.864  -7.809   2.269
  308    HE2  LYS   4           HE3      LYS   4  20.362  -9.037   0.866
  309    HE3  LYS   4           HE2      LYS   4  21.317  -7.908   1.823
  310    HZ1  LYS   4           HZ1      LYS   4  22.343 -10.094   1.719
  311    HZ2  LYS   4           HZ2      LYS   4  20.968 -10.799   2.409
  312    HZ3  LYS   4           HZ3      LYS   4  21.905  -9.717   3.309
  313    H    GLN   5           H        GLN   5  19.405  -3.916   5.285
  314    HA   GLN   5           HA       GLN   5  16.960  -4.792   6.358
  315    HB2  GLN   5           HB3      GLN   5  18.475  -3.297   7.582
  316    HB3  GLN   5           HB2      GLN   5  18.179  -2.024   6.408
  317    HG2  GLN   5           HG3      GLN   5  15.773  -2.087   7.060
  318    HG3  GLN   5           HG2      GLN   5  16.209  -3.207   8.346
  319   HE21  GLN   5          HE21      GLN   5  18.229  -0.542   7.328
  320   HE22  GLN   5          HE22      GLN   5  18.040   0.402   8.762
  321    H    LEU   6           H        LEU   6  17.753  -2.417   3.888
  322    HA   LEU   6           HA       LEU   6  15.107  -1.447   3.531
  323    HB2  LEU   6           HB3      LEU   6  17.457  -1.389   1.636
  324    HB3  LEU   6           HB2      LEU   6  15.952  -0.535   1.379
  325    HG   LEU   6           HG       LEU   6  17.932  -0.019   3.602
  326   HD11  LEU   6          HD11      LEU   6  17.122   1.668   1.244
  327   HD12  LEU   6          HD12      LEU   6  18.622   0.751   1.373
  328   HD13  LEU   6          HD13      LEU   6  18.308   2.083   2.482
  329   HD21  LEU   6          HD21      LEU   6  15.295   1.305   2.983
  330   HD22  LEU   6          HD22      LEU   6  16.483   1.902   4.140
  331   HD23  LEU   6          HD23      LEU   6  15.684   0.356   4.416
  332    H    GLU   7           H        GLU   7  16.898  -4.130   2.191
  333    HA   GLU   7           HA       GLU   7  15.254  -4.831   0.057
  334    HB2  GLU   7           HB3      GLU   7  16.861  -6.537   1.955
  335    HB3  GLU   7           HB2      GLU   7  16.033  -7.195   0.551
  336    HG2  GLU   7           HG3      GLU   7  18.059  -4.977   0.367
  337    HG3  GLU   7           HG2      GLU   7  18.487  -6.702   0.272
  338    H    ASP   8           H        ASP   8  15.026  -5.779   3.477
  339    HA   ASP   8           HA       ASP   8  12.611  -7.265   3.095
  340    HB2  ASP   8           HB3      ASP   8  13.990  -6.268   5.590
  341    HB3  ASP   8           HB2      ASP   8  12.511  -7.224   5.621
  342    H    LYS   9           H        LYS   9  13.373  -3.964   3.670
  343    HA   LYS   9           HA       LYS   9  10.869  -3.105   4.695
  344    HB2  LYS   9           HB3      LYS   9  13.072  -1.702   3.219
  345    HB3  LYS   9           HB2      LYS   9  11.606  -0.891   3.714
  346    HG2  LYS   9           HG3      LYS   9  13.571  -2.250   5.548
  347    HG3  LYS   9           HG2      LYS   9  13.457  -0.512   5.280
  348    HD2  LYS   9           HD3      LYS   9  11.249  -2.229   6.416
  349    HD3  LYS   9           HD2      LYS   9  12.369  -1.267   7.378
  350    HE2  LYS   9           HE3      LYS   9  11.580   0.756   6.191
  351    HE3  LYS   9           HE2      LYS   9  10.397  -0.237   5.343
  352    HZ1  LYS   9           HZ1      LYS   9   9.460   0.897   7.278
  353    HZ2  LYS   9           HZ2      LYS   9  10.540   0.083   8.290
  354    HZ3  LYS   9           HZ3      LYS   9   9.368  -0.782   7.434
  355    H    VAL  10           H        VAL  10  12.281  -2.942   1.471
  356    HA   VAL  10           HA       VAL  10  10.069  -1.924   0.071
  357    HB   VAL  10           HB       VAL  10  12.242  -3.773  -0.950
  358   HG11  VAL  10          HG11      VAL  10  10.374  -1.940  -2.450
  359   HG12  VAL  10          HG12      VAL  10  10.325  -3.702  -2.454
  360   HG13  VAL  10          HG13      VAL  10  11.703  -2.855  -3.157
  361   HG21  VAL  10          HG21      VAL  10  13.327  -1.712  -1.728
  362   HG22  VAL  10          HG22      VAL  10  13.166  -1.748   0.027
  363   HG23  VAL  10          HG23      VAL  10  12.068  -0.761  -0.938
  364    H    GLU  11           H        GLU  11  10.984  -4.975   1.261
  365    HA   GLU  11           HA       GLU  11   9.183  -6.592  -0.287
  366    HB2  GLU  11           HB3      GLU  11  11.356  -7.363   0.737
  367    HB3  GLU  11           HB2      GLU  11  10.561  -7.318   2.300
  368    HG2  GLU  11           HG3      GLU  11   9.344  -8.923   0.111
  369    HG3  GLU  11           HG2      GLU  11  10.768  -9.542   0.942
  370    H    GLU  12           H        GLU  12   9.223  -5.560   3.151
  371    HA   GLU  12           HA       GLU  12   6.827  -6.774   3.927
  372    HB2  GLU  12           HB3      GLU  12   8.525  -5.704   5.428
  373    HB3  GLU  12           HB2      GLU  12   7.913  -4.135   4.925
  374    HG2  GLU  12           HG3      GLU  12   6.944  -4.645   7.025
  375    HG3  GLU  12           HG2      GLU  12   5.681  -4.808   5.805
  376    H    LEU  13           H        LEU  13   7.337  -3.410   3.017
  377    HA   LEU  13           HA       LEU  13   4.799  -2.442   2.880
  378    HB2  LEU  13           HB3      LEU  13   7.089  -1.855   1.013
  379    HB3  LEU  13           HB2      LEU  13   5.644  -0.872   1.158
  380    HG   LEU  13           HG       LEU  13   7.572  -1.388   3.420
  381   HD11  LEU  13          HD11      LEU  13   8.664  -0.125   1.657
  382   HD12  LEU  13          HD12      LEU  13   8.331   0.908   3.047
  383   HD13  LEU  13          HD13      LEU  13   7.312   1.006   1.611
  384   HD21  LEU  13          HD21      LEU  13   5.282   0.551   3.119
  385   HD22  LEU  13          HD22      LEU  13   6.394   0.481   4.485
  386   HD23  LEU  13          HD23      LEU  13   5.314  -0.874   4.158
  387    H    LEU  14           H        LEU  14   6.442  -4.247   0.292
  388    HA   LEU  14           HA       LEU  14   4.450  -4.091  -1.647
  389    HB2  LEU  14           HB3      LEU  14   6.746  -5.864  -1.218
  390    HB3  LEU  14           HB2      LEU  14   5.386  -6.686  -1.945
  391    HG   LEU  14           HG       LEU  14   7.031  -5.805  -3.594
  392   HD11  LEU  14          HD11      LEU  14   4.289  -4.556  -3.766
  393   HD12  LEU  14          HD12      LEU  14   4.696  -6.211  -4.219
  394   HD13  LEU  14          HD13      LEU  14   5.391  -4.857  -5.109
  395   HD21  LEU  14          HD21      LEU  14   6.056  -3.121  -2.633
  396   HD22  LEU  14          HD22      LEU  14   7.073  -3.406  -4.045
  397   HD23  LEU  14          HD23      LEU  14   7.681  -3.776  -2.432
  398    H    SER  15           H        SER  15   4.864  -6.529   0.906
  399    HA   SER  15           HA       SER  15   2.599  -8.059   0.287
  400    HB2  SER  15           HB3      SER  15   4.406  -8.773   1.839
  401    HB3  SER  15           HB2      SER  15   3.836  -7.589   3.014
  402    HG   SER  15           HG       SER  15   2.829  -9.394   3.622
  403    H    LYS  16           H        LYS  16   3.013  -5.208   2.325
  404    HA   LYS  16           HA       LYS  16   0.341  -5.098   3.276
  405    HB2  LYS  16           HB3      LYS  16   2.304  -3.920   4.300
  406    HB3  LYS  16           HB2      LYS  16   2.289  -2.809   2.938
  407    HG2  LYS  16           HG3      LYS  16   1.195  -1.757   4.772
  408    HG3  LYS  16           HG2      LYS  16  -0.025  -2.165   3.564
  409    HD2  LYS  16           HD3      LYS  16  -0.735  -4.073   4.843
  410    HD3  LYS  16           HD2      LYS  16   0.600  -3.865   5.977
  411    HE2  LYS  16           HE3      LYS  16  -0.370  -1.639   6.581
  412    HE3  LYS  16           HE2      LYS  16  -1.767  -2.037   5.584
  413    HZ1  LYS  16           HZ1      LYS  16  -0.839  -3.593   7.935
  414    HZ2  LYS  16           HZ2      LYS  16  -2.195  -3.943   6.989
  415    HZ3  LYS  16           HZ3      LYS  16  -2.156  -2.533   7.917
  416    H    ASN  17           H        ASN  17   2.046  -3.494   0.614
  417    HA   ASN  17           HA       ASN  17  -0.013  -1.936  -0.407
  418    HB2  ASN  17           HB3      ASN  17   2.084  -1.534  -1.356
  419    HB3  ASN  17           HB2      ASN  17   2.398  -3.241  -1.623
  420   HD21  ASN  17          HD21      ASN  17   0.763  -0.400  -2.879
  421   HD22  ASN  17          HD22      ASN  17   0.455  -1.053  -4.447
  422    H    TYR  18           H        TYR  18   0.849  -5.268  -1.273
  423    HA   TYR  18           HA       TYR  18  -1.142  -5.656  -3.205
  424    HB2  TYR  18           HB3      TYR  18   0.332  -7.579  -1.420
  425    HB3  TYR  18           HB2      TYR  18  -0.926  -8.139  -2.511
  426    HD1  TYR  18           HD1      TYR  18  -0.358  -6.379  -4.881
  427    HD2  TYR  18           HD2      TYR  18   2.254  -8.577  -2.325
  428    HE1  TYR  18           HE1      TYR  18   1.279  -6.554  -6.701
  429    HE2  TYR  18           HE2      TYR  18   3.895  -8.743  -4.144
  430    HH   TYR  18           HH       TYR  18   3.935  -8.665  -6.593
  431    H    HIS  19           H        HIS  19  -1.171  -6.347   0.268
  432    HA   HIS  19           HA       HIS  19  -3.705  -7.517   0.393
  433    HB2  HIS  19           HB3      HIS  19  -2.006  -7.567   2.213
  434    HB3  HIS  19           HB2      HIS  19  -2.355  -5.875   2.546
  435    HD1  HIS  19           HD1      HIS  19  -3.648  -9.318   3.079
  436    HD2  HIS  19           HD2      HIS  19  -4.860  -5.403   3.789
  437    HE1  HIS  19           HE1      HIS  19  -5.571  -9.483   4.693
  438    HE2  HIS  19           HE2      HIS  19  -6.254  -7.103   5.150
  439    H    LEU  20           H        LEU  20  -2.756  -4.128   0.984
  440    HA   LEU  20           HA       LEU  20  -5.385  -3.233   1.516
  441    HB2  LEU  20           HB3      LEU  20  -3.061  -1.602   0.487
  442    HB3  LEU  20           HB2      LEU  20  -4.515  -0.977   1.231
  443    HG   LEU  20           HG       LEU  20  -2.481  -2.699   2.645
  444   HD11  LEU  20          HD11      LEU  20  -1.541  -0.541   2.100
  445   HD12  LEU  20          HD12      LEU  20  -1.889  -0.638   3.827
  446   HD13  LEU  20          HD13      LEU  20  -2.964   0.266   2.761
  447   HD21  LEU  20          HD21      LEU  20  -4.725  -2.944   3.553
  448   HD22  LEU  20          HD22      LEU  20  -4.879  -1.191   3.672
  449   HD23  LEU  20          HD23      LEU  20  -3.695  -2.042   4.664
  450    H    GLU  21           H        GLU  21  -3.392  -3.087  -1.426
  451    HA   GLU  21           HA       GLU  21  -5.173  -1.562  -2.947
  452    HB2  GLU  21           HB3      GLU  21  -2.702  -2.282  -3.400
  453    HB3  GLU  21           HB2      GLU  21  -3.439  -3.658  -4.208
  454    HG2  GLU  21           HG3      GLU  21  -4.729  -2.020  -5.600
  455    HG3  GLU  21           HG2      GLU  21  -3.735  -0.747  -4.894
  456    H    ASN  22           H        ASN  22  -4.929  -5.054  -2.506
  457    HA   ASN  22           HA       ASN  22  -6.908  -5.712  -4.437
  458    HB2  ASN  22           HB3      ASN  22  -5.703  -7.231  -2.133
  459    HB3  ASN  22           HB2      ASN  22  -6.989  -7.916  -3.123
  460   HD21  ASN  22          HD21      ASN  22  -4.222  -8.775  -2.779
  461   HD22  ASN  22          HD22      ASN  22  -3.529  -8.785  -4.363
  462    H    GLU  23           H        GLU  23  -7.018  -5.238  -0.909
  463    HA   GLU  23           HA       GLU  23  -9.761  -5.988  -0.757
  464    HB2  GLU  23           HB3      GLU  23  -9.659  -5.531   1.536
  465    HB3  GLU  23           HB2      GLU  23  -8.037  -6.064   1.128
  466    HG2  GLU  23           HG3      GLU  23  -7.260  -3.775   1.127
  467    HG3  GLU  23           HG2      GLU  23  -8.893  -3.209   1.483
  468    H    VAL  24           H        VAL  24  -8.070  -2.969  -1.282
  469    HA   VAL  24           HA       VAL  24 -10.131  -1.125  -0.992
  470    HB   VAL  24           HB       VAL  24  -7.935  -1.238  -3.080
  471   HG11  VAL  24          HG11      VAL  24  -8.422   1.121  -3.544
  472   HG12  VAL  24          HG12      VAL  24  -9.833   1.033  -2.490
  473   HG13  VAL  24          HG13      VAL  24  -9.781   0.082  -3.974
  474   HG21  VAL  24          HG21      VAL  24  -7.165  -0.949  -0.792
  475   HG22  VAL  24          HG22      VAL  24  -8.265   0.413  -0.580
  476   HG23  VAL  24          HG23      VAL  24  -6.924   0.531  -1.722
  477    H    ALA  25           H        ALA  25  -9.230  -2.964  -3.915
  478    HA   ALA  25           HA       ALA  25 -11.337  -2.147  -5.551
  479    HB1  ALA  25           HB1      ALA  25  -9.341  -3.299  -6.376
  480    HB2  ALA  25           HB2      ALA  25 -10.819  -4.086  -6.927
  481    HB3  ALA  25           HB3      ALA  25  -9.886  -4.790  -5.608
  482    H    ARG  26           H        ARG  26 -11.116  -4.940  -3.374
  483    HA   ARG  26           HA       ARG  26 -13.582  -6.108  -3.914
  484    HB2  ARG  26           HB3      ARG  26 -11.947  -7.254  -2.571
  485    HB3  ARG  26           HB2      ARG  26 -11.983  -5.984  -1.355
  486    HG2  ARG  26           HG3      ARG  26 -14.225  -6.587  -0.720
  487    HG3  ARG  26           HG2      ARG  26 -14.315  -7.764  -2.030
  488    HD2  ARG  26           HD2      ARG  26 -12.336  -7.884   0.238
  489    HD3  ARG  26           HD1      ARG  26 -13.861  -8.767   0.199
  490    HE   ARG  26           HE       ARG  26 -12.687  -9.516  -2.108
  491   HH11  ARG  26          HH11      ARG  26 -11.528  -9.435   1.197
  492   HH12  ARG  26          HH12      ARG  26 -10.490 -10.809   1.001
  493   HH21  ARG  26          HH21      ARG  26 -11.335 -11.334  -2.365
  494   HH22  ARG  26          HH22      ARG  26 -10.374 -11.885  -1.030
  495    H    LEU  27           H        LEU  27 -12.749  -3.653  -1.480
  496    HA   LEU  27           HA       LEU  27 -15.330  -3.427  -0.395
  497    HB2  LEU  27           HB3      LEU  27 -13.047  -1.452  -0.460
  498    HB3  LEU  27           HB2      LEU  27 -14.504  -1.244   0.491
  499    HG   LEU  27           HG       LEU  27 -12.633  -3.577   0.801
  500   HD11  LEU  27          HD11      LEU  27 -11.474  -1.514   1.346
  501   HD12  LEU  27          HD12      LEU  27 -11.816  -2.445   2.803
  502   HD13  LEU  27          HD13      LEU  27 -12.799  -1.039   2.406
  503   HD21  LEU  27          HD21      LEU  27 -13.807  -3.861   2.944
  504   HD22  LEU  27          HD22      LEU  27 -14.890  -4.028   1.565
  505   HD23  LEU  27          HD23      LEU  27 -14.889  -2.539   2.510
  506    H    LYS  28           H        LYS  28 -13.857  -1.874  -3.179
  507    HA   LYS  28           HA       LYS  28 -15.829   0.140  -3.488
  508    HB2  LYS  28           HB3      LYS  28 -13.791  -1.030  -5.378
  509    HB3  LYS  28           HB2      LYS  28 -14.907   0.237  -5.870
  510    HG2  LYS  28           HG3      LYS  28 -14.010   1.721  -4.191
  511    HG3  LYS  28           HG2      LYS  28 -12.948   0.448  -3.597
  512    HD2  LYS  28           HD3      LYS  28 -11.703   0.438  -5.642
  513    HD3  LYS  28           HD2      LYS  28 -12.875   1.535  -6.411
  514    HE2  LYS  28           HE3      LYS  28 -11.180   2.251  -4.010
  515    HE3  LYS  28           HE2      LYS  28 -10.765   2.644  -5.675
  516    HZ1  LYS  28           HZ1      LYS  28 -11.850   4.483  -4.508
  517    HZ2  LYS  28           HZ2      LYS  28 -13.233   3.541  -4.293
  518    HZ3  LYS  28           HZ3      LYS  28 -12.743   3.976  -5.849
  519    H    LYS  29           H        LYS  29 -15.402  -3.056  -4.982
  520    HA   LYS  29           HA       LYS  29 -17.751  -2.875  -6.558
  521    HB2  LYS  29           HB3      LYS  29 -17.450  -5.169  -7.069
  522    HB3  LYS  29           HB2      LYS  29 -15.840  -4.479  -6.933
  523    HG2  LYS  29           HG3      LYS  29 -15.628  -5.415  -4.692
  524    HG3  LYS  29           HG2      LYS  29 -17.247  -6.099  -4.825
  525    HD2  LYS  29           HD3      LYS  29 -16.434  -7.324  -6.867
  526    HD3  LYS  29           HD2      LYS  29 -14.806  -6.802  -6.436
  527    HE2  LYS  29           HE3      LYS  29 -15.110  -9.004  -5.569
  528    HE3  LYS  29           HE2      LYS  29 -15.136  -7.884  -4.208
  529    HZ1  LYS  29           HZ1      LYS  29 -17.497  -9.129  -5.506
  530    HZ2  LYS  29           HZ2      LYS  29 -17.578  -7.985  -4.268
  531    HZ3  LYS  29           HZ3      LYS  29 -16.882  -9.498  -3.974
  532    H    LEU  30           H        LEU  30 -17.268  -3.416  -3.223
  533    HA   LEU  30           HA       LEU  30 -19.755  -4.816  -2.786
  534    HB2  LEU  30           HB3      LEU  30 -17.821  -3.532  -0.859
  535    HB3  LEU  30           HB2      LEU  30 -19.259  -4.403  -0.370
  536    HG   LEU  30           HG       LEU  30 -16.909  -5.585  -1.850
  537   HD11  LEU  30          HD11      LEU  30 -16.393  -5.040   0.470
  538   HD12  LEU  30          HD12      LEU  30 -16.496  -6.785   0.237
  539   HD13  LEU  30          HD13      LEU  30 -17.827  -5.918   1.003
  540   HD21  LEU  30          HD21      LEU  30 -18.014  -7.728  -1.447
  541   HD22  LEU  30          HD22      LEU  30 -18.997  -6.674  -2.459
  542   HD23  LEU  30          HD23      LEU  30 -19.401  -6.885  -0.757
  543    H    VAL  31           H        VAL  31 -18.525  -1.585  -1.845
  544    HA   VAL  31           HA       VAL  31 -21.031  -0.625  -1.011
  545    HB   VAL  31           HB       VAL  31 -18.901   0.386  -0.326
  546   HG11  VAL  31          HG11      VAL  31 -17.685   0.262  -2.421
  547   HG12  VAL  31          HG12      VAL  31 -17.708   1.918  -1.812
  548   HG13  VAL  31          HG13      VAL  31 -18.771   1.452  -3.140
  549   HG21  VAL  31          HG21      VAL  31 -19.587   2.750  -0.542
  550   HG22  VAL  31          HG22      VAL  31 -20.896   1.683  -0.040
  551   HG23  VAL  31          HG23      VAL  31 -20.813   2.252  -1.706
  552    H    GLY  32           H        GLY  32 -19.519  -0.705  -4.191
  553    HA2  GLY  32           HA3      GLY  32 -21.744   0.856  -5.295
  554    HA3  GLY  32           HA2      GLY  32 -20.258   0.442  -6.138
  555    H    GLU  33           H        GLU  33 -22.369  -1.698  -4.301
  556    HA   GLU  33           HA       GLU  33 -22.763  -3.286  -6.744
  557    HB2  GLU  33           HB3      GLU  33 -21.605  -4.422  -4.864
  558    HB3  GLU  33           HB2      GLU  33 -22.995  -4.109  -3.836
  559    HG2  GLU  33           HG3      GLU  33 -24.379  -5.519  -5.267
  560    HG3  GLU  33           HG2      GLU  33 -22.988  -5.829  -6.304
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  24.458  -2.762  -5.188
    2    H2   GLY   1           H2       GLY   1  26.021  -2.486  -5.768
    3    H3   GLY   1           H3       GLY   1  24.697  -2.367  -6.811
    4    HA2  GLY   1           HA2      GLY   1  25.261  -0.589  -4.513
    5    HA3  GLY   1           HA3      GLY   1  25.482  -0.177  -6.206
    6    H    SER   2           H        SER   2  24.048   1.585  -5.923
    7    HA   SER   2           HA       SER   2  22.063   2.637  -6.179
    8    HB2  SER   2           HB3      SER   2  21.047  -0.113  -6.903
    9    HB3  SER   2           HB2      SER   2  20.202   1.402  -7.205
   10    HG   SER   2           HG       SER   2  22.812   1.245  -8.139
   11    H    MET   3           H        MET   3  22.784   1.807  -3.584
   12    HA   MET   3           HA       MET   3  20.654   0.691  -2.124
   13    HB2  MET   3           HB3      MET   3  22.884   0.948  -1.168
   14    HB3  MET   3           HB2      MET   3  22.755   2.696  -1.279
   15    HG2  MET   3           HG3      MET   3  20.928   2.666   0.337
   16    HG3  MET   3           HG2      MET   3  21.067   0.912   0.453
   17    HE1  MET   3           HE1      MET   3  21.184   2.975   2.935
   18    HE2  MET   3           HE2      MET   3  22.469   2.232   3.889
   19    HE3  MET   3           HE3      MET   3  21.251   1.223   3.110
   20    H    LYS   4           H        LYS   4  21.340   3.961  -3.206
   21    HA   LYS   4           HA       LYS   4  19.250   5.241  -1.816
   22    HB2  LYS   4           HB3      LYS   4  19.562   7.113  -3.305
   23    HB3  LYS   4           HB2      LYS   4  21.131   6.463  -2.862
   24    HG2  LYS   4           HG3      LYS   4  19.864   5.538  -5.393
   25    HG3  LYS   4           HG2      LYS   4  20.575   7.149  -5.335
   26    HD2  LYS   4           HD3      LYS   4  22.035   4.622  -4.581
   27    HD3  LYS   4           HD2      LYS   4  22.114   5.375  -6.171
   28    HE2  LYS   4           HE3      LYS   4  22.957   7.446  -5.088
   29    HE3  LYS   4           HE2      LYS   4  22.993   6.584  -3.552
   30    HZ1  LYS   4           HZ1      LYS   4  25.165   6.575  -4.552
   31    HZ2  LYS   4           HZ2      LYS   4  24.557   5.906  -5.980
   32    HZ3  LYS   4           HZ3      LYS   4  24.551   5.000  -4.556
   33    H    GLN   5           H        GLN   5  19.239   3.280  -4.699
   34    HA   GLN   5           HA       GLN   5  16.704   4.267  -5.626
   35    HB2  GLN   5           HB3      GLN   5  18.318   1.844  -6.431
   36    HB3  GLN   5           HB2      GLN   5  16.788   2.289  -7.175
   37    HG2  GLN   5           HG3      GLN   5  17.926   4.554  -7.641
   38    HG3  GLN   5           HG2      GLN   5  19.427   3.692  -7.313
   39   HE21  GLN   5          HE21      GLN   5  20.164   2.174  -8.782
   40   HE22  GLN   5          HE22      GLN   5  19.470   1.980 -10.350
   41    H    LEU   6           H        LEU   6  17.807   1.838  -3.428
   42    HA   LEU   6           HA       LEU   6  15.372   0.374  -3.269
   43    HB2  LEU   6           HB3      LEU   6  17.532   0.758  -1.185
   44    HB3  LEU   6           HB2      LEU   6  16.190  -0.353  -1.031
   45    HG   LEU   6           HG       LEU   6  18.414  -0.513  -3.065
   46   HD11  LEU   6          HD11      LEU   6  19.075  -1.164  -0.816
   47   HD12  LEU   6          HD12      LEU   6  18.991  -2.567  -1.881
   48   HD13  LEU   6          HD13      LEU   6  17.700  -2.262  -0.721
   49   HD21  LEU   6          HD21      LEU   6  17.368  -2.679  -3.667
   50   HD22  LEU   6          HD22      LEU   6  16.387  -1.281  -4.094
   51   HD23  LEU   6          HD23      LEU   6  15.976  -2.243  -2.674
   52    H    GLU   7           H        GLU   7  16.637   3.240  -1.700
   53    HA   GLU   7           HA       GLU   7  14.576   3.649   0.153
   54    HB2  GLU   7           HB3      GLU   7  16.489   5.515  -1.228
   55    HB3  GLU   7           HB2      GLU   7  15.293   6.101  -0.082
   56    HG2  GLU   7           HG3      GLU   7  17.296   3.959   0.580
   57    HG3  GLU   7           HG2      GLU   7  17.585   5.693   0.849
   58    H    ASP   8           H        ASP   8  14.919   4.614  -3.234
   59    HA   ASP   8           HA       ASP   8  12.693   6.259  -3.481
   60    HB2  ASP   8           HB3      ASP   8  13.860   4.329  -5.496
   61    HB3  ASP   8           HB2      ASP   8  12.621   5.516  -5.881
   62    H    LYS   9           H        LYS   9  12.905   2.766  -3.993
   63    HA   LYS   9           HA       LYS   9  10.232   2.136  -4.382
   64    HB2  LYS   9           HB3      LYS   9  11.858   0.453  -2.500
   65    HB3  LYS   9           HB2      LYS   9  10.650  -0.050  -3.671
   66    HG2  LYS   9           HG3      LYS   9  12.194   0.539  -5.506
   67    HG3  LYS   9           HG2      LYS   9  13.429   0.913  -4.302
   68    HD2  LYS   9           HD3      LYS   9  13.366  -1.362  -3.482
   69    HD3  LYS   9           HD2      LYS   9  12.049  -1.753  -4.587
   70    HE2  LYS   9           HE3      LYS   9  13.526  -1.321  -6.489
   71    HE3  LYS   9           HE2      LYS   9  14.841  -0.941  -5.379
   72    HZ1  LYS   9           HZ1      LYS   9  13.471  -3.564  -5.647
   73    HZ2  LYS   9           HZ2      LYS   9  14.661  -3.216  -4.500
   74    HZ3  LYS   9           HZ3      LYS   9  15.047  -3.198  -6.145
   75    H    VAL  10           H        VAL  10  11.927   2.273  -1.273
   76    HA   VAL  10           HA       VAL  10   9.821   1.472   0.371
   77    HB   VAL  10           HB       VAL  10  12.071   3.357   1.112
   78   HG11  VAL  10          HG11      VAL  10  11.677   2.523   3.389
   79   HG12  VAL  10          HG12      VAL  10  10.297   1.598   2.802
   80   HG13  VAL  10          HG13      VAL  10  10.267   3.360   2.739
   81   HG21  VAL  10          HG21      VAL  10  11.927   0.349   1.275
   82   HG22  VAL  10          HG22      VAL  10  13.235   1.357   1.897
   83   HG23  VAL  10          HG23      VAL  10  12.928   1.282   0.162
   84    H    GLU  11           H        GLU  11  10.923   4.637  -0.632
   85    HA   GLU  11           HA       GLU  11   9.015   6.112   0.884
   86    HB2  GLU  11           HB3      GLU  11  10.528   6.979  -1.582
   87    HB3  GLU  11           HB2      GLU  11   9.686   8.044  -0.465
   88    HG2  GLU  11           HG3      GLU  11  12.130   6.383   0.084
   89    HG3  GLU  11           HG2      GLU  11  12.016   8.139   0.013
   90    H    GLU  12           H        GLU  12   9.092   5.167  -2.566
   91    HA   GLU  12           HA       GLU  12   6.688   6.472  -3.271
   92    HB2  GLU  12           HB3      GLU  12   8.325   5.696  -4.924
   93    HB3  GLU  12           HB2      GLU  12   7.978   4.026  -4.498
   94    HG2  GLU  12           HG3      GLU  12   5.643   4.376  -5.251
   95    HG3  GLU  12           HG2      GLU  12   6.103   5.989  -5.796
   96    H    LEU  13           H        LEU  13   7.242   3.007  -2.801
   97    HA   LEU  13           HA       LEU  13   4.648   2.120  -2.961
   98    HB2  LEU  13           HB3      LEU  13   6.867   0.993  -1.261
   99    HB3  LEU  13           HB2      LEU  13   5.406   0.137  -1.714
  100    HG   LEU  13           HG       LEU  13   7.516   1.119  -3.639
  101   HD11  LEU  13          HD11      LEU  13   6.889  -1.656  -2.651
  102   HD12  LEU  13          HD12      LEU  13   8.330  -0.714  -2.272
  103   HD13  LEU  13          HD13      LEU  13   8.038  -1.255  -3.925
  104   HD21  LEU  13          HD21      LEU  13   5.037  -0.540  -4.076
  105   HD22  LEU  13          HD22      LEU  13   6.290  -0.246  -5.282
  106   HD23  LEU  13          HD23      LEU  13   5.326   1.096  -4.666
  107    H    LEU  14           H        LEU  14   6.330   3.289  -0.061
  108    HA   LEU  14           HA       LEU  14   4.298   2.588   1.752
  109    HB2  LEU  14           HB3      LEU  14   6.583   3.063   2.471
  110    HB3  LEU  14           HB2      LEU  14   6.415   4.732   1.981
  111    HG   LEU  14           HG       LEU  14   4.649   5.026   3.703
  112   HD11  LEU  14          HD11      LEU  14   5.438   2.221   4.480
  113   HD12  LEU  14          HD12      LEU  14   3.858   2.755   3.906
  114   HD13  LEU  14          HD13      LEU  14   4.462   3.309   5.466
  115   HD21  LEU  14          HD21      LEU  14   6.959   5.647   4.158
  116   HD22  LEU  14          HD22      LEU  14   7.300   4.009   4.715
  117   HD23  LEU  14          HD23      LEU  14   6.173   5.027   5.611
  118    H    SER  15           H        SER  15   4.955   5.609  -0.028
  119    HA   SER  15           HA       SER  15   2.857   7.109   1.075
  120    HB2  SER  15           HB3      SER  15   4.014   7.261  -1.722
  121    HB3  SER  15           HB2      SER  15   3.083   8.524  -0.914
  122    HG   SER  15           HG       SER  15   5.724   7.711  -0.518
  123    H    LYS  16           H        LYS  16   2.952   4.929  -1.706
  124    HA   LYS  16           HA       LYS  16   0.243   5.300  -2.480
  125    HB2  LYS  16           HB3      LYS  16   2.342   4.216  -3.706
  126    HB3  LYS  16           HB2      LYS  16   1.727   2.740  -2.990
  127    HG2  LYS  16           HG3      LYS  16   0.149   4.527  -4.846
  128    HG3  LYS  16           HG2      LYS  16   1.032   3.088  -5.332
  129    HD2  LYS  16           HD3      LYS  16  -0.367   1.717  -3.885
  130    HD3  LYS  16           HD2      LYS  16  -1.245   3.154  -3.360
  131    HE2  LYS  16           HE3      LYS  16  -2.437   1.861  -5.103
  132    HE3  LYS  16           HE2      LYS  16  -2.085   3.516  -5.588
  133    HZ1  LYS  16           HZ1      LYS  16  -1.626   1.967  -7.372
  134    HZ2  LYS  16           HZ2      LYS  16  -0.558   1.102  -6.395
  135    HZ3  LYS  16           HZ3      LYS  16  -0.190   2.686  -6.850
  136    H    ASN  17           H        ASN  17   1.928   2.906  -0.503
  137    HA   ASN  17           HA       ASN  17  -0.115   1.229   0.277
  138    HB2  ASN  17           HB3      ASN  17   2.180   0.807   0.903
  139    HB3  ASN  17           HB2      ASN  17   2.246   2.293   1.835
  140   HD21  ASN  17          HD21      ASN  17   1.216  -1.031   1.832
  141   HD22  ASN  17          HD22      ASN  17   0.760  -1.082   3.493
  142    H    TYR  18           H        TYR  18   0.847   4.304   1.798
  143    HA   TYR  18           HA       TYR  18  -1.027   4.208   3.884
  144    HB2  TYR  18           HB3      TYR  18   0.469   6.474   2.607
  145    HB3  TYR  18           HB2      TYR  18  -0.754   6.793   3.830
  146    HD1  TYR  18           HD1      TYR  18  -0.220   4.395   5.612
  147    HD2  TYR  18           HD2      TYR  18   2.412   7.181   3.748
  148    HE1  TYR  18           HE1      TYR  18   1.439   4.004   7.376
  149    HE2  TYR  18           HE2      TYR  18   4.076   6.787   5.509
  150    HH   TYR  18           HH       TYR  18   4.111   6.004   7.865
  151    H    HIS  19           H        HIS  19  -1.247   5.698   0.671
  152    HA   HIS  19           HA       HIS  19  -3.783   6.841   0.990
  153    HB2  HIS  19           HB3      HIS  19  -2.328   7.350  -0.934
  154    HB3  HIS  19           HB2      HIS  19  -2.563   5.717  -1.545
  155    HD1  HIS  19           HD1      HIS  19  -4.487   8.917  -0.946
  156    HD2  HIS  19           HD2      HIS  19  -4.834   5.357  -3.060
  157    HE1  HIS  19           HE1      HIS  19  -6.504   9.201  -2.421
  158    HE2  HIS  19           HE2      HIS  19  -6.742   7.009  -3.639
  159    H    LEU  20           H        LEU  20  -2.806   3.588   0.044
  160    HA   LEU  20           HA       LEU  20  -5.392   2.663  -0.629
  161    HB2  LEU  20           HB3      LEU  20  -2.989   1.112   0.327
  162    HB3  LEU  20           HB2      LEU  20  -4.431   0.413  -0.380
  163    HG   LEU  20           HG       LEU  20  -2.523   2.266  -1.795
  164   HD11  LEU  20          HD11      LEU  20  -1.898   0.292  -3.072
  165   HD12  LEU  20          HD12      LEU  20  -2.971  -0.698  -2.082
  166   HD13  LEU  20          HD13      LEU  20  -1.561   0.070  -1.355
  167   HD21  LEU  20          HD21      LEU  20  -4.955   0.775  -2.777
  168   HD22  LEU  20          HD22      LEU  20  -3.819   1.654  -3.796
  169   HD23  LEU  20          HD23      LEU  20  -4.793   2.524  -2.615
  170    H    GLU  21           H        GLU  21  -3.493   2.492   2.365
  171    HA   GLU  21           HA       GLU  21  -5.312   0.967   3.862
  172    HB2  GLU  21           HB3      GLU  21  -2.830   2.060   4.304
  173    HB3  GLU  21           HB2      GLU  21  -3.839   3.043   5.351
  174    HG2  GLU  21           HG3      GLU  21  -3.596   0.032   5.441
  175    HG3  GLU  21           HG2      GLU  21  -2.864   1.179   6.556
  176    H    ASN  22           H        ASN  22  -5.071   4.448   3.311
  177    HA   ASN  22           HA       ASN  22  -7.215   5.176   5.018
  178    HB2  ASN  22           HB3      ASN  22  -5.864   6.547   2.708
  179    HB3  ASN  22           HB2      ASN  22  -7.288   7.246   3.467
  180   HD21  ASN  22          HD21      ASN  22  -7.155   7.997   5.588
  181   HD22  ASN  22          HD22      ASN  22  -5.634   8.314   6.349
  182    H    GLU  23           H        GLU  23  -7.041   4.373   1.568
  183    HA   GLU  23           HA       GLU  23  -9.748   4.882   0.969
  184    HB2  GLU  23           HB3      GLU  23  -7.729   3.046  -0.318
  185    HB3  GLU  23           HB2      GLU  23  -9.351   3.280  -0.959
  186    HG2  GLU  23           HG3      GLU  23  -7.326   5.469  -0.557
  187    HG3  GLU  23           HG2      GLU  23  -7.648   4.651  -2.085
  188    H    VAL  24           H        VAL  24  -8.091   1.992   2.148
  189    HA   VAL  24           HA       VAL  24 -10.201   0.190   1.968
  190    HB   VAL  24           HB       VAL  24  -8.029   0.318   4.070
  191   HG11  VAL  24          HG11      VAL  24  -9.902  -1.944   3.378
  192   HG12  VAL  24          HG12      VAL  24  -9.905  -1.013   4.876
  193   HG13  VAL  24          HG13      VAL  24  -8.532  -2.048   4.483
  194   HG21  VAL  24          HG21      VAL  24  -6.979  -1.441   2.706
  195   HG22  VAL  24          HG22      VAL  24  -7.166   0.069   1.814
  196   HG23  VAL  24          HG23      VAL  24  -8.272  -1.273   1.518
  197    H    ALA  25           H        ALA  25  -9.219   2.090   4.831
  198    HA   ALA  25           HA       ALA  25 -11.420   1.556   6.449
  199    HB1  ALA  25           HB1      ALA  25  -9.377   2.658   7.231
  200    HB2  ALA  25           HB2      ALA  25 -10.816   3.571   7.675
  201    HB3  ALA  25           HB3      ALA  25  -9.814   4.107   6.328
  202    H    ARG  26           H        ARG  26 -10.962   4.148   4.103
  203    HA   ARG  26           HA       ARG  26 -13.272   5.619   4.403
  204    HB2  ARG  26           HB3      ARG  26 -11.487   6.339   2.968
  205    HB3  ARG  26           HB2      ARG  26 -11.648   4.915   1.957
  206    HG2  ARG  26           HG3      ARG  26 -13.855   5.730   1.216
  207    HG3  ARG  26           HG2      ARG  26 -13.601   7.195   2.171
  208    HD2  ARG  26           HD2      ARG  26 -11.572   7.673   0.886
  209    HD3  ARG  26           HD1      ARG  26 -11.833   6.217  -0.068
  210    HE   ARG  26           HE       ARG  26 -14.124   7.792  -0.277
  211   HH11  ARG  26          HH11      ARG  26 -10.748   7.847  -1.231
  212   HH12  ARG  26          HH12      ARG  26 -11.028   8.904  -2.585
  213   HH21  ARG  26          HH21      ARG  26 -14.482   9.165  -2.073
  214   HH22  ARG  26          HH22      ARG  26 -13.143   9.642  -3.069
  215    H    LEU  27           H        LEU  27 -12.741   2.978   2.082
  216    HA   LEU  27           HA       LEU  27 -15.382   2.916   1.151
  217    HB2  LEU  27           HB3      LEU  27 -13.168   0.884   1.081
  218    HB3  LEU  27           HB2      LEU  27 -14.711   0.637   0.282
  219    HG   LEU  27           HG       LEU  27 -12.935   2.997  -0.281
  220   HD11  LEU  27          HD11      LEU  27 -11.710   0.999  -0.832
  221   HD12  LEU  27          HD12      LEU  27 -12.249   1.800  -2.307
  222   HD13  LEU  27          HD13      LEU  27 -13.091   0.364  -1.724
  223   HD21  LEU  27          HD21      LEU  27 -14.272   3.133  -2.334
  224   HD22  LEU  27          HD22      LEU  27 -15.264   3.305  -0.887
  225   HD23  LEU  27          HD23      LEU  27 -15.253   1.780  -1.773
  226    H    LYS  28           H        LYS  28 -13.930   1.427   3.947
  227    HA   LYS  28           HA       LYS  28 -15.853  -0.605   4.330
  228    HB2  LYS  28           HB3      LYS  28 -13.930   0.762   6.197
  229    HB3  LYS  28           HB2      LYS  28 -15.064  -0.454   6.769
  230    HG2  LYS  28           HG3      LYS  28 -14.113  -2.039   5.126
  231    HG3  LYS  28           HG2      LYS  28 -12.913  -0.818   4.701
  232    HD2  LYS  28           HD3      LYS  28 -11.934  -0.890   6.860
  233    HD3  LYS  28           HD2      LYS  28 -13.301  -1.811   7.522
  234    HE2  LYS  28           HE3      LYS  28 -12.662  -3.686   5.991
  235    HE3  LYS  28           HE2      LYS  28 -11.207  -2.783   5.560
  236    HZ1  LYS  28           HZ1      LYS  28 -10.546  -2.822   7.886
  237    HZ2  LYS  28           HZ2      LYS  28 -10.769  -4.392   7.303
  238    HZ3  LYS  28           HZ3      LYS  28 -11.940  -3.686   8.296
  239    H    LYS  29           H        LYS  29 -15.566   2.684   5.706
  240    HA   LYS  29           HA       LYS  29 -18.150   2.447   6.946
  241    HB2  LYS  29           HB3      LYS  29 -17.897   4.754   7.587
  242    HB3  LYS  29           HB2      LYS  29 -16.397   3.889   7.880
  243    HG2  LYS  29           HG3      LYS  29 -15.486   4.833   5.790
  244    HG3  LYS  29           HG2      LYS  29 -16.976   5.764   5.599
  245    HD2  LYS  29           HD3      LYS  29 -16.543   6.743   7.859
  246    HD3  LYS  29           HD2      LYS  29 -14.966   5.959   7.835
  247    HE2  LYS  29           HE3      LYS  29 -14.666   8.218   7.126
  248    HE3  LYS  29           HE2      LYS  29 -14.474   7.177   5.717
  249    HZ1  LYS  29           HZ1      LYS  29 -16.741   7.713   5.064
  250    HZ2  LYS  29           HZ2      LYS  29 -15.805   9.112   5.199
  251    HZ3  LYS  29           HZ3      LYS  29 -16.917   8.718   6.411
  252    H    LEU  30           H        LEU  30 -17.313   2.813   3.753
  253    HA   LEU  30           HA       LEU  30 -19.507   4.619   3.106
  254    HB2  LEU  30           HB3      LEU  30 -17.080   3.724   1.757
  255    HB3  LEU  30           HB2      LEU  30 -18.472   3.810   0.699
  256    HG   LEU  30           HG       LEU  30 -17.129   5.873   0.659
  257   HD11  LEU  30          HD11      LEU  30 -19.858   6.232   1.882
  258   HD12  LEU  30          HD12      LEU  30 -19.520   5.958   0.175
  259   HD13  LEU  30          HD13      LEU  30 -18.965   7.438   0.956
  260   HD21  LEU  30          HD21      LEU  30 -17.952   6.150   3.547
  261   HD22  LEU  30          HD22      LEU  30 -17.110   7.365   2.586
  262   HD23  LEU  30          HD23      LEU  30 -16.318   5.835   2.963
  263    H    VAL  31           H        VAL  31 -18.882   1.183   3.029
  264    HA   VAL  31           HA       VAL  31 -20.719   0.470   1.024
  265    HB   VAL  31           HB       VAL  31 -20.636  -1.784   1.869
  266   HG11  VAL  31          HG11      VAL  31 -17.979  -0.391   2.090
  267   HG12  VAL  31          HG12      VAL  31 -18.670  -1.189   0.675
  268   HG13  VAL  31          HG13      VAL  31 -18.176  -2.143   2.072
  269   HG21  VAL  31          HG21      VAL  31 -20.979  -1.346   4.213
  270   HG22  VAL  31          HG22      VAL  31 -19.376  -0.623   4.338
  271   HG23  VAL  31          HG23      VAL  31 -19.544  -2.344   3.987
  272    H    GLY  32           H        GLY  32 -21.315   1.747   4.101
  273    HA2  GLY  32           HA3      GLY  32 -23.767   2.263   4.397
  274    HA3  GLY  32           HA2      GLY  32 -24.001   0.531   4.189
  275    H    GLU  33           H        GLU  33 -21.966   2.714   6.130
  276    HA   GLU  33           HA       GLU  33 -22.418   0.910   8.411
  277    HB2  GLU  33           HB3      GLU  33 -20.045   1.177   7.503
  278    HB3  GLU  33           HB2      GLU  33 -20.107   2.826   8.110
  279    HG2  GLU  33           HG3      GLU  33 -18.980   1.424   9.699
  280    HG3  GLU  33           HG2      GLU  33 -20.522   1.950  10.372
  281    H1   GLY   1           H1       GLY   1  24.539   2.370   5.535
  282    H2   GLY   1           H2       GLY   1  26.107   2.089   6.098
  283    H3   GLY   1           H3       GLY   1  24.793   1.971   7.155
  284    HA2  GLY   1           HA2      GLY   1  25.335   0.192   4.850
  285    HA3  GLY   1           HA3      GLY   1  25.572  -0.219   6.540
  286    H    SER   2           H        SER   2  24.141  -1.977   6.274
  287    HA   SER   2           HA       SER   2  22.166  -3.039   6.543
  288    HB2  SER   2           HB3      SER   2  21.138  -0.293   7.277
  289    HB3  SER   2           HB2      SER   2  20.315  -1.817   7.597
  290    HG   SER   2           HG       SER   2  22.938  -1.631   8.487
  291    H    MET   3           H        MET   3  22.864  -2.212   3.939
  292    HA   MET   3           HA       MET   3  20.718  -1.089   2.505
  293    HB2  MET   3           HB3      MET   3  22.937  -1.338   1.525
  294    HB3  MET   3           HB2      MET   3  22.812  -3.087   1.627
  295    HG2  MET   3           HG3      MET   3  20.969  -3.053   0.029
  296    HG3  MET   3           HG2      MET   3  21.100  -1.298  -0.077
  297    HE1  MET   3           HE1      MET   3  21.200  -3.357  -2.570
  298    HE2  MET   3           HE2      MET   3  22.469  -2.604  -3.537
  299    HE3  MET   3           HE3      MET   3  21.253  -1.603  -2.745
  300    H    LYS   4           H        LYS   4  21.419  -4.359   3.569
  301    HA   LYS   4           HA       LYS   4  19.322  -5.642   2.190
  302    HB2  LYS   4           HB3      LYS   4  19.653  -7.516   3.670
  303    HB3  LYS   4           HB2      LYS   4  21.215  -6.860   3.219
  304    HG2  LYS   4           HG3      LYS   4  19.961  -5.951   5.760
  305    HG3  LYS   4           HG2      LYS   4  20.680  -7.558   5.691
  306    HD2  LYS   4           HD3      LYS   4  22.123  -5.019   4.934
  307    HD3  LYS   4           HD2      LYS   4  22.216  -5.775   6.524
  308    HE2  LYS   4           HE3      LYS   4  23.061  -7.839   5.432
  309    HE3  LYS   4           HE2      LYS   4  23.079  -6.976   3.897
  310    HZ1  LYS   4           HZ1      LYS   4  25.257  -6.958   4.879
  311    HZ2  LYS   4           HZ2      LYS   4  24.657  -6.289   6.311
  312    HZ3  LYS   4           HZ3      LYS   4  24.637  -5.385   4.883
  313    H    GLN   5           H        GLN   5  19.327  -3.689   5.080
  314    HA   GLN   5           HA       GLN   5  16.806  -4.692   6.028
  315    HB2  GLN   5           HB3      GLN   5  18.421  -2.268   6.828
  316    HB3  GLN   5           HB2      GLN   5  16.901  -2.719   7.585
  317    HG2  GLN   5           HG3      GLN   5  18.046  -4.986   8.031
  318    HG3  GLN   5           HG2      GLN   5  19.541  -4.118   7.691
  319   HE21  GLN   5          HE21      GLN   5  20.297  -2.617   9.165
  320   HE22  GLN   5          HE22      GLN   5  19.605  -2.420  10.737
  321    H    LEU   6           H        LEU   6  17.878  -2.244   3.836
  322    HA   LEU   6           HA       LEU   6  15.438  -0.791   3.697
  323    HB2  LEU   6           HB3      LEU   6  17.581  -1.163   1.594
  324    HB3  LEU   6           HB2      LEU   6  16.233  -0.057   1.454
  325    HG   LEU   6           HG       LEU   6  18.472   0.106   3.470
  326   HD11  LEU   6          HD11      LEU   6  19.108   0.762   1.217
  327   HD12  LEU   6          HD12      LEU   6  19.031   2.163   2.286
  328   HD13  LEU   6          HD13      LEU   6  17.729   1.858   1.136
  329   HD21  LEU   6          HD21      LEU   6  17.417   2.269   4.079
  330   HD22  LEU   6          HD22      LEU   6  16.449   0.864   4.515
  331   HD23  LEU   6          HD23      LEU   6  16.020   1.821   3.097
  332    H    GLU   7           H        GLU   7  16.699  -3.649   2.108
  333    HA   GLU   7           HA       GLU   7  14.620  -4.063   0.273
  334    HB2  GLU   7           HB3      GLU   7  16.550  -5.928   1.632
  335    HB3  GLU   7           HB2      GLU   7  15.348  -6.514   0.492
  336    HG2  GLU   7           HG3      GLU   7  17.342  -4.363  -0.175
  337    HG3  GLU   7           HG2      GLU   7  17.633  -6.098  -0.450
  338    H    ASP   8           H        ASP   8  14.999  -5.037   3.654
  339    HA   ASP   8           HA       ASP   8  12.783  -6.693   3.909
  340    HB2  ASP   8           HB3      ASP   8  13.969  -4.772   5.921
  341    HB3  ASP   8           HB2      ASP   8  12.732  -5.960   6.314
  342    H    LYS   9           H        LYS   9  12.987  -3.200   4.437
  343    HA   LYS   9           HA       LYS   9  10.316  -2.581   4.852
  344    HB2  LYS   9           HB3      LYS   9  11.918  -0.883   2.962
  345    HB3  LYS   9           HB2      LYS   9  10.718  -0.390   4.148
  346    HG2  LYS   9           HG3      LYS   9  12.280  -0.978   5.966
  347    HG3  LYS   9           HG2      LYS   9  13.506  -1.347   4.750
  348    HD2  LYS   9           HD3      LYS   9  13.430   0.932   3.935
  349    HD3  LYS   9           HD2      LYS   9  12.124   1.316   5.056
  350    HE2  LYS   9           HE3      LYS   9  13.623   0.880   6.939
  351    HE3  LYS   9           HE2      LYS   9  14.927   0.508   5.813
  352    HZ1  LYS   9           HZ1      LYS   9  13.552   3.123   6.103
  353    HZ2  LYS   9           HZ2      LYS   9  14.740   2.782   4.950
  354    HZ3  LYS   9           HZ3      LYS   9  15.128   2.759   6.596
  355    H    VAL  10           H        VAL  10  11.981  -2.699   1.728
  356    HA   VAL  10           HA       VAL  10   9.857  -1.900   0.107
  357    HB   VAL  10           HB       VAL  10  12.102  -3.780  -0.656
  358   HG11  VAL  10          HG11      VAL  10  11.688  -2.947  -2.932
  359   HG12  VAL  10          HG12      VAL  10  10.308  -2.029  -2.333
  360   HG13  VAL  10          HG13      VAL  10  10.289  -3.791  -2.270
  361   HG21  VAL  10          HG21      VAL  10  11.949  -0.772  -0.813
  362   HG22  VAL  10          HG22      VAL  10  13.255  -1.771  -1.451
  363   HG23  VAL  10          HG23      VAL  10  12.965  -1.705   0.286
  364    H    GLU  11           H        GLU  11  10.979  -5.066   1.088
  365    HA   GLU  11           HA       GLU  11   9.063  -6.544  -0.415
  366    HB2  GLU  11           HB3      GLU  11  10.606  -7.411   2.032
  367    HB3  GLU  11           HB2      GLU  11   9.758  -8.476   0.921
  368    HG2  GLU  11           HG3      GLU  11  12.194  -6.807   0.364
  369    HG3  GLU  11           HG2      GLU  11  12.077  -8.563   0.406
  370    H    GLU  12           H        GLU  12   9.171  -5.611   3.039
  371    HA   GLU  12           HA       GLU  12   6.777  -6.926   3.763
  372    HB2  GLU  12           HB3      GLU  12   8.428  -6.149   5.401
  373    HB3  GLU  12           HB2      GLU  12   8.072  -4.481   4.982
  374    HG2  GLU  12           HG3      GLU  12   5.746  -4.834   5.757
  375    HG3  GLU  12           HG2      GLU  12   6.213  -6.446   6.293
  376    H    LEU  13           H        LEU  13   7.318  -3.459   3.298
  377    HA   LEU  13           HA       LEU  13   4.721  -2.577   3.489
  378    HB2  LEU  13           HB3      LEU  13   6.921  -1.441   1.770
  379    HB3  LEU  13           HB2      LEU  13   5.462  -0.590   2.238
  380    HG   LEU  13           HG       LEU  13   7.591  -1.570   4.142
  381   HD11  LEU  13          HD11      LEU  13   6.942   1.207   3.169
  382   HD12  LEU  13          HD12      LEU  13   8.384   0.272   2.771
  383   HD13  LEU  13          HD13      LEU  13   8.106   0.804   4.430
  384   HD21  LEU  13          HD21      LEU  13   5.103   0.072   4.602
  385   HD22  LEU  13          HD22      LEU  13   6.369  -0.212   5.797
  386   HD23  LEU  13          HD23      LEU  13   5.411  -1.562   5.189
  387    H    LEU  14           H        LEU  14   6.379  -3.732   0.568
  388    HA   LEU  14           HA       LEU  14   4.330  -3.031  -1.225
  389    HB2  LEU  14           HB3      LEU  14   6.610  -3.499  -1.966
  390    HB3  LEU  14           HB2      LEU  14   6.449  -5.169  -1.477
  391    HG   LEU  14           HG       LEU  14   4.670  -5.465  -3.184
  392   HD11  LEU  14          HD11      LEU  14   5.439  -2.658  -3.962
  393   HD12  LEU  14          HD12      LEU  14   3.867  -3.196  -3.369
  394   HD13  LEU  14          HD13      LEU  14   4.455  -3.747  -4.935
  395   HD21  LEU  14          HD21      LEU  14   6.980  -6.075  -3.662
  396   HD22  LEU  14          HD22      LEU  14   7.306  -4.434  -4.220
  397   HD23  LEU  14          HD23      LEU  14   6.176  -5.457  -5.106
  398    H    SER  15           H        SER  15   5.011  -6.054   0.537
  399    HA   SER  15           HA       SER  15   2.909  -7.560  -0.551
  400    HB2  SER  15           HB3      SER  15   4.084  -7.712   2.236
  401    HB3  SER  15           HB2      SER  15   3.159  -8.982   1.430
  402    HG   SER  15           HG       SER  15   5.789  -8.145   1.028
  403    H    LYS  16           H        LYS  16   3.022  -5.391   2.239
  404    HA   LYS  16           HA       LYS  16   0.324  -5.772   3.036
  405    HB2  LYS  16           HB3      LYS  16   2.431  -4.685   4.244
  406    HB3  LYS  16           HB2      LYS  16   1.805  -3.209   3.541
  407    HG2  LYS  16           HG3      LYS  16   0.251  -5.006   5.402
  408    HG3  LYS  16           HG2      LYS  16   1.134  -3.567   5.887
  409    HD2  LYS  16           HD3      LYS  16  -0.286  -2.196   4.457
  410    HD3  LYS  16           HD2      LYS  16  -1.162  -3.636   3.937
  411    HE2  LYS  16           HE3      LYS  16  -2.337  -2.347   5.697
  412    HE3  LYS  16           HE2      LYS  16  -1.985  -4.004   6.166
  413    HZ1  LYS  16           HZ1      LYS  16  -1.510  -2.478   7.958
  414    HZ2  LYS  16           HZ2      LYS  16  -0.451  -1.600   6.979
  415    HZ3  LYS  16           HZ3      LYS  16  -0.076  -3.187   7.416
  416    H    ASN  17           H        ASN  17   1.980  -3.365   1.051
  417    HA   ASN  17           HA       ASN  17  -0.079  -1.691   0.298
  418    HB2  ASN  17           HB3      ASN  17   2.208  -1.259  -0.349
  419    HB3  ASN  17           HB2      ASN  17   2.273  -2.742  -1.284
  420   HD21  ASN  17          HD21      ASN  17   1.220   0.579  -1.262
  421   HD22  ASN  17          HD22      ASN  17   0.759   0.630  -2.923
  422    H    TYR  18           H        TYR  18   0.883  -4.758  -1.246
  423    HA   TYR  18           HA       TYR  18  -1.012  -4.665  -3.312
  424    HB2  TYR  18           HB3      TYR  18   0.504  -6.931  -2.057
  425    HB3  TYR  18           HB2      TYR  18  -0.729  -7.248  -3.269
  426    HD1  TYR  18           HD1      TYR  18  -0.228  -4.847  -5.048
  427    HD2  TYR  18           HD2      TYR  18   2.444  -7.621  -3.217
  428    HE1  TYR  18           HE1      TYR  18   1.411  -4.439  -6.827
  429    HE2  TYR  18           HE2      TYR  18   4.086  -7.209  -4.996
  430    HH   TYR  18           HH       TYR  18   4.123  -6.409  -7.323
  431    H    HIS  19           H        HIS  19  -1.194  -6.173  -0.102
  432    HA   HIS  19           HA       HIS  19  -3.729  -7.319  -0.401
  433    HB2  HIS  19           HB3      HIS  19  -2.256  -7.829   1.506
  434    HB3  HIS  19           HB2      HIS  19  -2.492  -6.198   2.127
  435    HD1  HIS  19           HD1      HIS  19  -4.411  -9.402   1.529
  436    HD2  HIS  19           HD2      HIS  19  -4.752  -5.851   3.660
  437    HE1  HIS  19           HE1      HIS  19  -6.408  -9.702   3.026
  438    HE2  HIS  19           HE2      HIS  19  -6.640  -7.517   4.257
  439    H    LEU  20           H        LEU  20  -2.757  -4.066   0.547
  440    HA   LEU  20           HA       LEU  20  -5.342  -3.156   1.246
  441    HB2  LEU  20           HB3      LEU  20  -2.957  -1.584   0.276
  442    HB3  LEU  20           HB2      LEU  20  -4.397  -0.898   1.002
  443    HG   LEU  20           HG       LEU  20  -2.465  -2.747   2.391
  444   HD11  LEU  20          HD11      LEU  20  -1.838  -0.774   3.670
  445   HD12  LEU  20          HD12      LEU  20  -2.924   0.213   2.693
  446   HD13  LEU  20          HD13      LEU  20  -1.516  -0.546   1.951
  447   HD21  LEU  20          HD21      LEU  20  -4.892  -1.269   3.399
  448   HD22  LEU  20          HD22      LEU  20  -3.743  -2.149   4.405
  449   HD23  LEU  20          HD23      LEU  20  -4.726  -3.016   3.228
  450    H    GLU  21           H        GLU  21  -3.471  -2.963  -1.767
  451    HA   GLU  21           HA       GLU  21  -5.312  -1.443  -3.242
  452    HB2  GLU  21           HB3      GLU  21  -2.831  -2.524  -3.713
  453    HB3  GLU  21           HB2      GLU  21  -3.847  -3.509  -4.751
  454    HG2  GLU  21           HG3      GLU  21  -3.611  -0.500  -4.838
  455    HG3  GLU  21           HG2      GLU  21  -2.892  -1.642  -5.965
  456    H    ASN  22           H        ASN  22  -5.051  -4.922  -2.696
  457    HA   ASN  22           HA       ASN  22  -7.212  -5.652  -4.385
  458    HB2  ASN  22           HB3      ASN  22  -5.833  -7.033  -2.098
  459    HB3  ASN  22           HB2      ASN  22  -7.263  -7.731  -2.848
  460   HD21  ASN  22          HD21      ASN  22  -7.146  -8.469  -4.977
  461   HD22  ASN  22          HD22      ASN  22  -5.631  -8.769  -5.755
  462    H    GLU  23           H        GLU  23  -7.007  -4.857  -0.936
  463    HA   GLU  23           HA       GLU  23  -9.704  -5.379  -0.310
  464    HB2  GLU  23           HB3      GLU  23  -7.683  -3.535   0.960
  465    HB3  GLU  23           HB2      GLU  23  -9.296  -3.785   1.624
  466    HG2  GLU  23           HG3      GLU  23  -7.251  -5.951   1.184
  467    HG3  GLU  23           HG2      GLU  23  -7.571  -5.149   2.722
  468    H    VAL  24           H        VAL  24  -8.073  -2.476  -1.500
  469    HA   VAL  24           HA       VAL  24 -10.189  -0.682  -1.294
  470    HB   VAL  24           HB       VAL  24  -8.034  -0.802  -3.416
  471   HG11  VAL  24          HG11      VAL  24  -9.901   1.458  -2.700
  472   HG12  VAL  24          HG12      VAL  24  -9.921   0.530  -4.198
  473   HG13  VAL  24          HG13      VAL  24  -8.542   1.562  -3.818
  474   HG21  VAL  24          HG21      VAL  24  -6.976   0.958  -2.058
  475   HG22  VAL  24          HG22      VAL  24  -7.149  -0.556  -1.170
  476   HG23  VAL  24          HG23      VAL  24  -8.256   0.781  -0.858
  477    H    ALA  25           H        ALA  25  -9.223  -2.571  -4.173
  478    HA   ALA  25           HA       ALA  25 -11.439  -2.043  -5.772
  479    HB1  ALA  25           HB1      ALA  25  -9.398  -3.132  -6.572
  480    HB2  ALA  25           HB2      ALA  25 -10.837  -4.051  -7.007
  481    HB3  ALA  25           HB3      ALA  25  -9.821  -4.585  -5.670
  482    H    ARG  26           H        ARG  26 -10.951  -4.640  -3.437
  483    HA   ARG  26           HA       ARG  26 -13.256  -6.121  -3.722
  484    HB2  ARG  26           HB3      ARG  26 -11.457  -6.839  -2.305
  485    HB3  ARG  26           HB2      ARG  26 -11.613  -5.419  -1.290
  486    HG2  ARG  26           HG3      ARG  26 -13.811  -6.244  -0.530
  487    HG3  ARG  26           HG2      ARG  26 -13.560  -7.705  -1.491
  488    HD2  ARG  26           HD2      ARG  26 -11.516  -8.177  -0.224
  489    HD3  ARG  26           HD1      ARG  26 -11.777  -6.726   0.738
  490    HE   ARG  26           HE       ARG  26 -14.054  -8.326   0.959
  491   HH11  ARG  26          HH11      ARG  26 -10.668  -8.346   1.875
  492   HH12  ARG  26          HH12      ARG  26 -10.919  -9.404   3.232
  493   HH21  ARG  26          HH21      ARG  26 -14.379  -9.696   2.760
  494   HH22  ARG  26          HH22      ARG  26 -13.024 -10.170   3.732
  495    H    LEU  27           H        LEU  27 -12.717  -3.487  -1.393
  496    HA   LEU  27           HA       LEU  27 -15.351  -3.439  -0.440
  497    HB2  LEU  27           HB3      LEU  27 -13.147  -1.397  -0.379
  498    HB3  LEU  27           HB2      LEU  27 -14.683  -1.164   0.436
  499    HG   LEU  27           HG       LEU  27 -12.891  -3.513   0.972
  500   HD11  LEU  27          HD11      LEU  27 -11.665  -1.519   1.516
  501   HD12  LEU  27          HD12      LEU  27 -12.187  -2.321   2.994
  502   HD13  LEU  27          HD13      LEU  27 -13.038  -0.886   2.421
  503   HD21  LEU  27          HD21      LEU  27 -14.202  -3.665   3.039
  504   HD22  LEU  27          HD22      LEU  27 -15.210  -3.837   1.602
  505   HD23  LEU  27          HD23      LEU  27 -15.196  -2.315   2.493
  506    H    LYS  28           H        LYS  28 -13.922  -1.924  -3.242
  507    HA   LYS  28           HA       LYS  28 -15.861   0.094  -3.597
  508    HB2  LYS  28           HB3      LYS  28 -13.952  -1.253  -5.492
  509    HB3  LYS  28           HB2      LYS  28 -15.098  -0.039  -6.046
  510    HG2  LYS  28           HG3      LYS  28 -14.129   1.551  -4.411
  511    HG3  LYS  28           HG2      LYS  28 -12.925   0.327  -4.000
  512    HD2  LYS  28           HD3      LYS  28 -11.967   0.402  -6.168
  513    HD3  LYS  28           HD2      LYS  28 -13.341   1.324  -6.816
  514    HE2  LYS  28           HE3      LYS  28 -12.689   3.197  -5.287
  515    HE3  LYS  28           HE2      LYS  28 -11.233   2.291  -4.867
  516    HZ1  LYS  28           HZ1      LYS  28 -10.586   2.328  -7.197
  517    HZ2  LYS  28           HZ2      LYS  28 -10.796   3.898  -6.608
  518    HZ3  LYS  28           HZ3      LYS  28 -11.979   3.202  -7.595
  519    H    LYS  29           H        LYS  29 -15.579  -3.198  -4.987
  520    HA   LYS  29           HA       LYS  29 -18.173  -2.956  -6.205
  521    HB2  LYS  29           HB3      LYS  29 -17.922  -5.266  -6.852
  522    HB3  LYS  29           HB2      LYS  29 -16.432  -4.392  -7.163
  523    HG2  LYS  29           HG3      LYS  29 -15.487  -5.334  -5.086
  524    HG3  LYS  29           HG2      LYS  29 -16.968  -6.275  -4.879
  525    HD2  LYS  29           HD3      LYS  29 -16.556  -7.246  -7.147
  526    HD3  LYS  29           HD2      LYS  29 -14.984  -6.449  -7.139
  527    HE2  LYS  29           HE3      LYS  29 -14.664  -8.711  -6.441
  528    HE3  LYS  29           HE2      LYS  29 -14.452  -7.671  -5.034
  529    HZ1  LYS  29           HZ1      LYS  29 -16.718  -8.213  -4.358
  530    HZ2  LYS  29           HZ2      LYS  29 -15.771  -9.604  -4.486
  531    HZ3  LYS  29           HZ3      LYS  29 -16.893  -9.230  -5.695
  532    H    LEU  30           H        LEU  30 -17.306  -3.331  -3.026
  533    HA   LEU  30           HA       LEU  30 -19.484  -5.148  -2.356
  534    HB2  LEU  30           HB3      LEU  30 -17.047  -4.244  -1.033
  535    HB3  LEU  30           HB2      LEU  30 -18.428  -4.337   0.042
  536    HG   LEU  30           HG       LEU  30 -17.077  -6.397   0.060
  537   HD11  LEU  30          HD11      LEU  30 -19.821  -6.764  -1.130
  538   HD12  LEU  30          HD12      LEU  30 -19.461  -6.493   0.574
  539   HD13  LEU  30          HD13      LEU  30 -18.912  -7.968  -0.218
  540   HD21  LEU  30          HD21      LEU  30 -17.931  -6.670  -2.818
  541   HD22  LEU  30          HD22      LEU  30 -17.074  -7.886  -1.870
  542   HD23  LEU  30          HD23      LEU  30 -16.291  -6.352  -2.252
  543    H    VAL  31           H        VAL  31 -18.866  -1.711  -2.273
  544    HA   VAL  31           HA       VAL  31 -20.691  -1.012  -0.252
  545    HB   VAL  31           HB       VAL  31 -20.611   1.236  -1.060
  546   HG11  VAL  31          HG11      VAL  31 -17.959  -0.142  -1.341
  547   HG12  VAL  31          HG12      VAL  31 -18.629   0.651   0.086
  548   HG13  VAL  31          HG13      VAL  31 -18.155   1.609  -1.315
  549   HG21  VAL  31          HG21      VAL  31 -20.990   0.838  -3.427
  550   HG22  VAL  31          HG22      VAL  31 -19.384   0.128  -3.585
  551   HG23  VAL  31          HG23      VAL  31 -19.557   1.841  -3.205
  552    H    GLY  32           H        GLY  32 -21.313  -2.285  -3.321
  553    HA2  GLY  32           HA3      GLY  32 -23.762  -2.787  -3.602
  554    HA3  GLY  32           HA2      GLY  32 -23.993  -1.057  -3.385
  555    H    GLU  33           H        GLU  33 -21.987  -3.241  -5.353
  556    HA   GLU  33           HA       GLU  33 -22.453  -1.429  -7.626
  557    HB2  GLU  33           HB3      GLU  33 -20.073  -1.699  -6.736
  558    HB3  GLU  33           HB2      GLU  33 -20.141  -3.346  -7.347
  559    HG2  GLU  33           HG3      GLU  33 -19.026  -1.943  -8.944
  560    HG3  GLU  33           HG2      GLU  33 -20.579  -2.459  -9.604
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  19.999  -5.265  -4.935
    2    H2   GLY   1           H2       GLY   1  20.225  -5.157  -6.606
    3    H3   GLY   1           H3       GLY   1  18.747  -5.693  -5.985
    4    HA2  GLY   1           HA2      GLY   1  18.561  -3.422  -6.751
    5    HA3  GLY   1           HA3      GLY   1  18.324  -3.537  -5.013
    6    H    SER   2           H        SER   2  18.895  -1.119  -5.779
    7    HA   SER   2           HA       SER   2  21.767  -0.782  -5.218
    8    HB2  SER   2           HB3      SER   2  19.993   1.105  -6.785
    9    HB3  SER   2           HB2      SER   2  21.732   1.257  -6.532
   10    HG   SER   2           HG       SER   2  22.095  -0.433  -7.865
   11    H    MET   3           H        MET   3  22.338   0.901  -3.780
   12    HA   MET   3           HA       MET   3  20.839   0.896  -1.472
   13    HB2  MET   3           HB3      MET   3  23.269   1.452  -1.673
   14    HB3  MET   3           HB2      MET   3  22.811   3.054  -2.233
   15    HG2  MET   3           HG3      MET   3  23.332   3.210   0.074
   16    HG3  MET   3           HG2      MET   3  21.584   3.376  -0.094
   17    HE1  MET   3           HE1      MET   3  21.216   2.895   2.495
   18    HE2  MET   3           HE2      MET   3  22.966   2.795   2.687
   19    HE3  MET   3           HE3      MET   3  21.933   1.522   3.336
   20    H    LYS   4           H        LYS   4  21.160   3.693  -3.699
   21    HA   LYS   4           HA       LYS   4  19.275   5.233  -2.240
   22    HB2  LYS   4           HB3      LYS   4  20.631   5.579  -4.874
   23    HB3  LYS   4           HB2      LYS   4  19.247   6.589  -4.491
   24    HG2  LYS   4           HG3      LYS   4  21.133   7.824  -3.853
   25    HG3  LYS   4           HG2      LYS   4  20.448   7.203  -2.355
   26    HD2  LYS   4           HD3      LYS   4  22.767   6.874  -2.155
   27    HD3  LYS   4           HD2      LYS   4  22.115   5.289  -2.577
   28    HE2  LYS   4           HE3      LYS   4  22.701   5.705  -4.931
   29    HE3  LYS   4           HE2      LYS   4  23.404   7.251  -4.468
   30    HZ1  LYS   4           HZ1      LYS   4  25.117   5.604  -4.668
   31    HZ2  LYS   4           HZ2      LYS   4  24.323   4.568  -3.597
   32    HZ3  LYS   4           HZ3      LYS   4  24.961   6.030  -3.038
   33    H    GLN   5           H        GLN   5  18.963   3.131  -5.064
   34    HA   GLN   5           HA       GLN   5  16.327   3.915  -5.707
   35    HB2  GLN   5           HB3      GLN   5  17.817   1.354  -6.276
   36    HB3  GLN   5           HB2      GLN   5  16.206   1.695  -6.893
   37    HG2  GLN   5           HG3      GLN   5  17.167   3.757  -7.958
   38    HG3  GLN   5           HG2      GLN   5  18.758   3.151  -7.511
   39   HE21  GLN   5          HE21      GLN   5  19.591   1.351  -8.569
   40   HE22  GLN   5          HE22      GLN   5  18.914   0.754 -10.041
   41    H    LEU   6           H        LEU   6  17.621   1.757  -3.309
   42    HA   LEU   6           HA       LEU   6  15.151   0.410  -2.781
   43    HB2  LEU   6           HB3      LEU   6  17.644   0.654  -1.097
   44    HB3  LEU   6           HB2      LEU   6  16.275  -0.364  -0.711
   45    HG   LEU   6           HG       LEU   6  18.024  -0.676  -3.152
   46   HD11  LEU   6          HD11      LEU   6  19.204  -1.242  -1.102
   47   HD12  LEU   6          HD12      LEU   6  18.834  -2.692  -2.035
   48   HD13  LEU   6          HD13      LEU   6  17.874  -2.290  -0.612
   49   HD21  LEU   6          HD21      LEU   6  16.827  -2.819  -3.403
   50   HD22  LEU   6          HD22      LEU   6  15.765  -1.424  -3.586
   51   HD23  LEU   6          HD23      LEU   6  15.753  -2.351  -2.085
   52    H    GLU   7           H        GLU   7  16.928   3.036  -1.128
   53    HA   GLU   7           HA       GLU   7  14.957   3.394   0.869
   54    HB2  GLU   7           HB3      GLU   7  16.063   5.627   1.236
   55    HB3  GLU   7           HB2      GLU   7  17.126   4.231   1.343
   56    HG2  GLU   7           HG3      GLU   7  18.032   4.669  -0.821
   57    HG3  GLU   7           HG2      GLU   7  16.843   5.960  -1.105
   58    H    ASP   8           H        ASP   8  15.408   4.895  -2.313
   59    HA   ASP   8           HA       ASP   8  13.235   6.714  -2.044
   60    HB2  ASP   8           HB3      ASP   8  14.742   5.623  -4.403
   61    HB3  ASP   8           HB2      ASP   8  13.292   6.591  -4.644
   62    H    LYS   9           H        LYS   9  13.528   3.400  -3.144
   63    HA   LYS   9           HA       LYS   9  10.921   3.001  -4.091
   64    HB2  LYS   9           HB3      LYS   9  13.067   1.348  -3.776
   65    HB3  LYS   9           HB2      LYS   9  12.077   0.829  -2.416
   66    HG2  LYS   9           HG3      LYS   9  11.430  -0.658  -3.999
   67    HG3  LYS   9           HG2      LYS   9  10.207   0.573  -4.265
   68    HD2  LYS   9           HD3      LYS   9  12.744   0.132  -5.850
   69    HD3  LYS   9           HD2      LYS   9  11.098  -0.186  -6.386
   70    HE2  LYS   9           HE3      LYS   9  12.121   2.550  -5.649
   71    HE3  LYS   9           HE2      LYS   9  12.135   1.911  -7.289
   72    HZ1  LYS   9           HZ1      LYS   9   9.695   2.244  -5.632
   73    HZ2  LYS   9           HZ2      LYS   9   9.755   1.746  -7.243
   74    HZ3  LYS   9           HZ3      LYS   9  10.203   3.319  -6.831
   75    H    VAL  10           H        VAL  10  12.278   2.549  -0.877
   76    HA   VAL  10           HA       VAL  10  10.047   1.718   0.563
   77    HB   VAL  10           HB       VAL  10  12.366   3.432   1.478
   78   HG11  VAL  10          HG11      VAL  10  10.455   3.624   3.007
   79   HG12  VAL  10          HG12      VAL  10  11.792   2.741   3.744
   80   HG13  VAL  10          HG13      VAL  10  10.387   1.866   3.133
   81   HG21  VAL  10          HG21      VAL  10  11.884   0.460   1.607
   82   HG22  VAL  10          HG22      VAL  10  13.231   1.302   2.373
   83   HG23  VAL  10          HG23      VAL  10  13.082   1.292   0.616
   84    H    GLU  11           H        GLU  11  11.230   4.848  -0.356
   85    HA   GLU  11           HA       GLU  11   9.422   6.444   1.137
   86    HB2  GLU  11           HB3      GLU  11  11.585   7.234   0.183
   87    HB3  GLU  11           HB2      GLU  11  10.866   7.166  -1.419
   88    HG2  GLU  11           HG3      GLU  11   9.217   8.840  -0.747
   89    HG3  GLU  11           HG2      GLU  11   9.950   8.910   0.855
   90    H    GLU  12           H        GLU  12   9.416   5.445  -2.299
   91    HA   GLU  12           HA       GLU  12   7.018   6.786  -2.985
   92    HB2  GLU  12           HB3      GLU  12   8.620   5.999  -4.655
   93    HB3  GLU  12           HB2      GLU  12   8.299   4.331  -4.206
   94    HG2  GLU  12           HG3      GLU  12   7.149   4.795  -6.233
   95    HG3  GLU  12           HG2      GLU  12   5.954   4.642  -4.948
   96    H    LEU  13           H        LEU  13   7.561   3.342  -2.469
   97    HA   LEU  13           HA       LEU  13   5.096   2.280  -2.372
   98    HB2  LEU  13           HB3      LEU  13   7.374   1.707  -0.490
   99    HB3  LEU  13           HB2      LEU  13   5.953   0.692  -0.645
  100    HG   LEU  13           HG       LEU  13   7.869   1.289  -2.899
  101   HD11  LEU  13          HD11      LEU  13   8.971   0.002  -1.160
  102   HD12  LEU  13          HD12      LEU  13   8.654  -1.004  -2.574
  103   HD13  LEU  13          HD13      LEU  13   7.633  -1.147  -1.141
  104   HD21  LEU  13          HD21      LEU  13   5.629   0.760  -3.666
  105   HD22  LEU  13          HD22      LEU  13   5.598  -0.676  -2.645
  106   HD23  LEU  13          HD23      LEU  13   6.722  -0.583  -4.000
  107    H    LEU  14           H        LEU  14   6.579   3.938   0.416
  108    HA   LEU  14           HA       LEU  14   4.530   3.571   2.254
  109    HB2  LEU  14           HB3      LEU  14   6.722   5.533   2.007
  110    HB3  LEU  14           HB2      LEU  14   5.319   6.124   2.864
  111    HG   LEU  14           HG       LEU  14   7.099   5.162   4.335
  112   HD11  LEU  14          HD11      LEU  14   4.757   5.341   5.057
  113   HD12  LEU  14          HD12      LEU  14   5.574   3.951   5.769
  114   HD13  LEU  14          HD13      LEU  14   4.451   3.721   4.431
  115   HD21  LEU  14          HD21      LEU  14   7.824   3.333   2.910
  116   HD22  LEU  14          HD22      LEU  14   6.247   2.562   3.072
  117   HD23  LEU  14          HD23      LEU  14   7.294   2.732   4.480
  118    H    SER  15           H        SER  15   4.931   6.258  -0.036
  119    HA   SER  15           HA       SER  15   2.577   7.631   0.621
  120    HB2  SER  15           HB3      SER  15   4.443   8.552  -0.747
  121    HB3  SER  15           HB2      SER  15   3.962   7.496  -2.071
  122    HG   SER  15           HG       SER  15   3.101   9.893  -1.624
  123    H    LYS  16           H        LYS  16   3.211   5.066  -1.717
  124    HA   LYS  16           HA       LYS  16   0.621   4.952  -2.854
  125    HB2  LYS  16           HB3      LYS  16   2.902   3.917  -3.623
  126    HB3  LYS  16           HB2      LYS  16   2.455   2.573  -2.592
  127    HG2  LYS  16           HG3      LYS  16   0.943   3.561  -5.009
  128    HG3  LYS  16           HG2      LYS  16   1.904   2.092  -4.890
  129    HD2  LYS  16           HD3      LYS  16   0.342   1.339  -3.073
  130    HD3  LYS  16           HD2      LYS  16  -0.676   2.718  -3.477
  131    HE2  LYS  16           HE3      LYS  16  -1.580   0.872  -4.634
  132    HE3  LYS  16           HE2      LYS  16  -0.725   1.826  -5.841
  133    HZ1  LYS  16           HZ1      LYS  16   0.445  -0.534  -4.482
  134    HZ2  LYS  16           HZ2      LYS  16   1.070   0.291  -5.822
  135    HZ3  LYS  16           HZ3      LYS  16  -0.356  -0.612  -5.969
  136    H    ASN  17           H        ASN  17   2.216   3.104  -0.290
  137    HA   ASN  17           HA       ASN  17   0.182   1.279   0.289
  138    HB2  ASN  17           HB3      ASN  17   2.580   1.245   1.079
  139    HB3  ASN  17           HB2      ASN  17   2.143   2.457   2.274
  140   HD21  ASN  17          HD21      ASN  17   3.208  -0.201   2.705
  141   HD22  ASN  17          HD22      ASN  17   2.051  -1.045   3.662
  142    H    TYR  18           H        TYR  18   0.905   4.385   1.877
  143    HA   TYR  18           HA       TYR  18  -1.171   4.344   3.735
  144    HB2  TYR  18           HB3      TYR  18   0.901   6.036   3.134
  145    HB3  TYR  18           HB2      TYR  18  -0.499   7.001   2.682
  146    HD1  TYR  18           HD1      TYR  18  -2.313   7.367   4.422
  147    HD2  TYR  18           HD2      TYR  18   1.511   5.776   5.372
  148    HE1  TYR  18           HE1      TYR  18  -2.670   7.936   6.783
  149    HE2  TYR  18           HE2      TYR  18   1.167   6.337   7.733
  150    HH   TYR  18           HH       TYR  18  -0.204   7.977   9.064
  151    H    HIS  19           H        HIS  19  -1.145   5.300   0.359
  152    HA   HIS  19           HA       HIS  19  -3.545   6.747   0.281
  153    HB2  HIS  19           HB3      HIS  19  -1.930   6.690  -1.596
  154    HB3  HIS  19           HB2      HIS  19  -2.356   5.005  -1.895
  155    HD1  HIS  19           HD1      HIS  19  -3.714   4.932  -3.960
  156    HD2  HIS  19           HD2      HIS  19  -4.710   8.185  -1.572
  157    HE1  HIS  19           HE1      HIS  19  -5.650   6.053  -5.112
  158    HE2  HIS  19           HE2      HIS  19  -6.142   8.093  -3.723
  159    H    LEU  20           H        LEU  20  -2.912   3.287  -0.163
  160    HA   LEU  20           HA       LEU  20  -5.629   2.683  -0.774
  161    HB2  LEU  20           HB3      LEU  20  -3.286   0.941  -0.049
  162    HB3  LEU  20           HB2      LEU  20  -4.888   0.303  -0.312
  163    HG   LEU  20           HG       LEU  20  -3.411   0.060  -2.274
  164   HD11  LEU  20          HD11      LEU  20  -5.043   0.721  -3.898
  165   HD12  LEU  20          HD12      LEU  20  -5.753   1.876  -2.773
  166   HD13  LEU  20          HD13      LEU  20  -5.871   0.148  -2.450
  167   HD21  LEU  20          HD21      LEU  20  -3.583   3.060  -2.397
  168   HD22  LEU  20          HD22      LEU  20  -2.948   2.012  -3.665
  169   HD23  LEU  20          HD23      LEU  20  -2.130   2.103  -2.104
  170    H    GLU  21           H        GLU  21  -3.682   2.653   2.164
  171    HA   GLU  21           HA       GLU  21  -5.502   1.403   3.876
  172    HB2  GLU  21           HB3      GLU  21  -3.623   3.693   4.499
  173    HB3  GLU  21           HB2      GLU  21  -4.442   2.707   5.700
  174    HG2  GLU  21           HG3      GLU  21  -3.250   0.724   4.820
  175    HG3  GLU  21           HG2      GLU  21  -2.365   1.786   3.727
  176    H    ASN  22           H        ASN  22  -5.308   4.725   2.718
  177    HA   ASN  22           HA       ASN  22  -7.403   5.792   4.303
  178    HB2  ASN  22           HB3      ASN  22  -6.110   6.649   1.725
  179    HB3  ASN  22           HB2      ASN  22  -7.507   7.508   2.360
  180   HD21  ASN  22          HD21      ASN  22  -5.082   6.069   4.427
  181   HD22  ASN  22          HD22      ASN  22  -4.427   7.560   5.001
  182    H    GLU  23           H        GLU  23  -7.324   4.503   0.998
  183    HA   GLU  23           HA       GLU  23 -10.016   4.955   0.368
  184    HB2  GLU  23           HB3      GLU  23  -8.275   2.705  -0.654
  185    HB3  GLU  23           HB2      GLU  23  -9.718   3.347  -1.430
  186    HG2  GLU  23           HG3      GLU  23  -7.097   4.775  -1.027
  187    HG3  GLU  23           HG2      GLU  23  -7.744   4.158  -2.546
  188    H    VAL  24           H        VAL  24  -8.421   2.064   1.689
  189    HA   VAL  24           HA       VAL  24 -10.590   0.350   1.800
  190    HB   VAL  24           HB       VAL  24  -8.243   0.567   3.689
  191   HG11  VAL  24          HG11      VAL  24 -10.081  -0.557   4.837
  192   HG12  VAL  24          HG12      VAL  24  -8.801  -1.701   4.433
  193   HG13  VAL  24          HG13      VAL  24 -10.277  -1.653   3.468
  194   HG21  VAL  24          HG21      VAL  24  -7.594   0.012   1.449
  195   HG22  VAL  24          HG22      VAL  24  -8.850  -1.219   1.343
  196   HG23  VAL  24          HG23      VAL  24  -7.489  -1.443   2.438
  197    H    ALA  25           H        ALA  25  -9.427   2.558   4.339
  198    HA   ALA  25           HA       ALA  25 -11.333   1.986   6.283
  199    HB1  ALA  25           HB1      ALA  25 -10.720   4.117   7.288
  200    HB2  ALA  25           HB2      ALA  25  -9.932   4.606   5.788
  201    HB3  ALA  25           HB3      ALA  25  -9.295   3.250   6.718
  202    H    ARG  26           H        ARG  26 -11.429   4.419   3.706
  203    HA   ARG  26           HA       ARG  26 -13.825   5.674   4.473
  204    HB2  ARG  26           HB3      ARG  26 -12.122   6.512   2.808
  205    HB3  ARG  26           HB2      ARG  26 -12.772   5.353   1.660
  206    HG2  ARG  26           HG3      ARG  26 -14.989   6.461   1.899
  207    HG3  ARG  26           HG2      ARG  26 -14.202   7.698   2.885
  208    HD2  ARG  26           HD2      ARG  26 -13.734   7.043  -0.011
  209    HD3  ARG  26           HD1      ARG  26 -14.286   8.565   0.686
  210    HE   ARG  26           HE       ARG  26 -12.021   8.774   1.660
  211   HH11  ARG  26          HH11      ARG  26 -12.527   6.757  -1.157
  212   HH12  ARG  26          HH12      ARG  26 -10.857   6.785  -1.642
  213   HH21  ARG  26          HH21      ARG  26  -9.827   8.829   1.016
  214   HH22  ARG  26          HH22      ARG  26  -9.322   7.946  -0.400
  215    H    LEU  27           H        LEU  27 -13.186   3.174   2.032
  216    HA   LEU  27           HA       LEU  27 -15.838   2.757   1.244
  217    HB2  LEU  27           HB3      LEU  27 -13.494   0.858   1.222
  218    HB3  LEU  27           HB2      LEU  27 -15.007   0.573   0.387
  219    HG   LEU  27           HG       LEU  27 -13.154   2.878  -0.175
  220   HD11  LEU  27          HD11      LEU  27 -12.136   0.753  -0.776
  221   HD12  LEU  27          HD12      LEU  27 -12.572   1.680  -2.210
  222   HD13  LEU  27          HD13      LEU  27 -13.572   0.319  -1.701
  223   HD21  LEU  27          HD21      LEU  27 -14.531   3.140  -2.199
  224   HD22  LEU  27          HD22      LEU  27 -15.455   3.396  -0.721
  225   HD23  LEU  27          HD23      LEU  27 -15.611   1.879  -1.605
  226    H    LYS  28           H        LYS  28 -14.098   1.595   4.019
  227    HA   LYS  28           HA       LYS  28 -15.759  -0.636   4.583
  228    HB2  LYS  28           HB3      LYS  28 -13.388  -0.112   5.470
  229    HB3  LYS  28           HB2      LYS  28 -14.206   0.905   6.646
  230    HG2  LYS  28           HG3      LYS  28 -13.792  -1.199   7.672
  231    HG3  LYS  28           HG2      LYS  28 -15.524  -1.091   7.355
  232    HD2  LYS  28           HD3      LYS  28 -14.832  -3.288   6.741
  233    HD3  LYS  28           HD2      LYS  28 -15.122  -2.388   5.236
  234    HE2  LYS  28           HE3      LYS  28 -13.096  -3.610   4.952
  235    HE3  LYS  28           HE2      LYS  28 -12.657  -1.917   5.164
  236    HZ1  LYS  28           HZ1      LYS  28 -11.223  -3.369   6.442
  237    HZ2  LYS  28           HZ2      LYS  28 -12.552  -4.003   7.271
  238    HZ3  LYS  28           HZ3      LYS  28 -12.126  -2.378   7.473
  239    H    LYS  29           H        LYS  29 -15.587   2.673   5.906
  240    HA   LYS  29           HA       LYS  29 -17.881   2.529   7.505
  241    HB2  LYS  29           HB3      LYS  29 -16.798   4.937   6.028
  242    HB3  LYS  29           HB2      LYS  29 -17.877   4.969   7.411
  243    HG2  LYS  29           HG3      LYS  29 -16.175   4.171   8.869
  244    HG3  LYS  29           HG2      LYS  29 -15.113   3.793   7.512
  245    HD2  LYS  29           HD3      LYS  29 -14.271   5.794   8.397
  246    HD3  LYS  29           HD2      LYS  29 -15.194   6.283   6.978
  247    HE2  LYS  29           HE3      LYS  29 -16.347   6.310   9.758
  248    HE3  LYS  29           HE2      LYS  29 -15.486   7.684   9.078
  249    HZ1  LYS  29           HZ1      LYS  29 -17.822   7.981   8.768
  250    HZ2  LYS  29           HZ2      LYS  29 -17.986   6.474   8.033
  251    HZ3  LYS  29           HZ3      LYS  29 -17.126   7.702   7.254
  252    H    LEU  30           H        LEU  30 -17.463   3.195   4.078
  253    HA   LEU  30           HA       LEU  30 -20.095   4.117   3.597
  254    HB2  LEU  30           HB3      LEU  30 -18.066   2.912   1.721
  255    HB3  LEU  30           HB2      LEU  30 -19.573   3.642   1.206
  256    HG   LEU  30           HG       LEU  30 -17.325   5.071   2.627
  257   HD11  LEU  30          HD11      LEU  30 -18.270   5.211  -0.231
  258   HD12  LEU  30          HD12      LEU  30 -16.763   4.491   0.335
  259   HD13  LEU  30          HD13      LEU  30 -17.026   6.226   0.497
  260   HD21  LEU  30          HD21      LEU  30 -18.618   7.104   2.119
  261   HD22  LEU  30          HD22      LEU  30 -19.467   6.027   3.225
  262   HD23  LEU  30          HD23      LEU  30 -19.940   6.098   1.528
  263    H    VAL  31           H        VAL  31 -18.605   0.928   2.867
  264    HA   VAL  31           HA       VAL  31 -21.031  -0.252   2.058
  265    HB   VAL  31           HB       VAL  31 -18.735  -1.100   1.529
  266   HG11  VAL  31          HG11      VAL  31 -17.655  -2.622   3.118
  267   HG12  VAL  31          HG12      VAL  31 -18.857  -2.193   4.334
  268   HG13  VAL  31          HG13      VAL  31 -17.736  -0.971   3.734
  269   HG21  VAL  31          HG21      VAL  31 -19.360  -3.478   1.617
  270   HG22  VAL  31          HG22      VAL  31 -20.669  -2.446   1.045
  271   HG23  VAL  31          HG23      VAL  31 -20.692  -3.066   2.696
  272    H    GLY  32           H        GLY  32 -19.830   0.462   5.207
  273    HA2  GLY  32           HA3      GLY  32 -21.375  -1.558   6.564
  274    HA3  GLY  32           HA2      GLY  32 -20.487  -0.239   7.312
  275    H    GLU  33           H        GLU  33 -22.178   1.301   5.058
  276    HA   GLU  33           HA       GLU  33 -24.268   2.074   6.916
  277    HB2  GLU  33           HB3      GLU  33 -23.413   3.119   4.211
  278    HB3  GLU  33           HB2      GLU  33 -24.810   3.754   5.068
  279    HG2  GLU  33           HG3      GLU  33 -22.002   3.738   6.154
  280    HG3  GLU  33           HG2      GLU  33 -22.751   5.103   5.325
  281    H1   GLY   1           H1       GLY   1  19.982   5.050   5.294
  282    H2   GLY   1           H2       GLY   1  20.220   4.946   6.964
  283    H3   GLY   1           H3       GLY   1  18.732   5.465   6.355
  284    HA2  GLY   1           HA2      GLY   1  18.581   3.189   7.126
  285    HA3  GLY   1           HA3      GLY   1  18.323   3.304   5.390
  286    H    SER   2           H        SER   2  18.935   0.890   6.151
  287    HA   SER   2           HA       SER   2  21.807   0.595   5.551
  288    HB2  SER   2           HB3      SER   2  20.083  -1.326   7.133
  289    HB3  SER   2           HB2      SER   2  21.821  -1.445   6.861
  290    HG   SER   2           HG       SER   2  22.162   0.274   8.178
  291    H    MET   3           H        MET   3  22.383  -1.079   4.098
  292    HA   MET   3           HA       MET   3  20.847  -1.096   1.815
  293    HB2  MET   3           HB3      MET   3  23.286  -1.621   1.982
  294    HB3  MET   3           HB2      MET   3  22.856  -3.228   2.551
  295    HG2  MET   3           HG3      MET   3  23.346  -3.384   0.239
  296    HG3  MET   3           HG2      MET   3  21.604  -3.565   0.425
  297    HE1  MET   3           HE1      MET   3  21.196  -3.092  -2.154
  298    HE2  MET   3           HE2      MET   3  22.940  -2.969  -2.378
  299    HE3  MET   3           HE3      MET   3  21.879  -1.710  -3.008
  300    H    LYS   4           H        LYS   4  21.239  -3.886   4.034
  301    HA   LYS   4           HA       LYS   4  19.355  -5.454   2.608
  302    HB2  LYS   4           HB3      LYS   4  20.752  -5.770   5.224
  303    HB3  LYS   4           HB2      LYS   4  19.377  -6.802   4.864
  304    HG2  LYS   4           HG3      LYS   4  21.270  -8.014   4.198
  305    HG3  LYS   4           HG2      LYS   4  20.554  -7.403   2.709
  306    HD2  LYS   4           HD3      LYS   4  22.862  -7.042   2.475
  307    HD3  LYS   4           HD2      LYS   4  22.196  -5.466   2.908
  308    HE2  LYS   4           HE3      LYS   4  22.825  -5.878   5.254
  309    HE3  LYS   4           HE2      LYS   4  23.543  -7.414   4.775
  310    HZ1  LYS   4           HZ1      LYS   4  25.230  -5.728   4.951
  311    HZ2  LYS   4           HZ2      LYS   4  24.406  -4.723   3.873
  312    HZ3  LYS   4           HZ3      LYS   4  25.066  -6.182   3.331
  313    H    GLN   5           H        GLN   5  19.049  -3.349   5.429
  314    HA   GLN   5           HA       GLN   5  16.437  -4.173   6.114
  315    HB2  GLN   5           HB3      GLN   5  17.897  -1.591   6.659
  316    HB3  GLN   5           HB2      GLN   5  16.304  -1.958   7.305
  317    HG2  GLN   5           HG3      GLN   5  17.318  -4.007   8.348
  318    HG3  GLN   5           HG2      GLN   5  18.891  -3.372   7.876
  319   HE21  GLN   5          HE21      GLN   5  19.701  -1.548   8.924
  320   HE22  GLN   5          HE22      GLN   5  19.029  -0.967  10.405
  321    H    LEU   6           H        LEU   6  17.666  -1.995   3.700
  322    HA   LEU   6           HA       LEU   6  15.172  -0.686   3.199
  323    HB2  LEU   6           HB3      LEU   6  17.648  -0.899   1.489
  324    HB3  LEU   6           HB2      LEU   6  16.261   0.100   1.115
  325    HG   LEU   6           HG       LEU   6  18.033   0.439   3.534
  326   HD11  LEU   6          HD11      LEU   6  19.180   1.019   1.467
  327   HD12  LEU   6          HD12      LEU   6  18.805   2.462   2.407
  328   HD13  LEU   6          HD13      LEU   6  17.830   2.052   0.996
  329   HD21  LEU   6          HD21      LEU   6  16.812   2.565   3.798
  330   HD22  LEU   6          HD22      LEU   6  15.771   1.157   3.996
  331   HD23  LEU   6          HD23      LEU   6  15.727   2.082   2.495
  332    H    GLU   7           H        GLU   7  16.966  -3.286   1.526
  333    HA   GLU   7           HA       GLU   7  14.971  -3.670  -0.440
  334    HB2  GLU   7           HB3      GLU   7  16.099  -5.887  -0.826
  335    HB3  GLU   7           HB2      GLU   7  17.139  -4.477  -0.949
  336    HG2  GLU   7           HG3      GLU   7  18.084  -4.903   1.205
  337    HG3  GLU   7           HG2      GLU   7  16.927  -6.222   1.495
  338    H    ASP   8           H        ASP   8  15.492  -5.166   2.731
  339    HA   ASP   8           HA       ASP   8  13.337  -7.011   2.501
  340    HB2  ASP   8           HB3      ASP   8  14.861  -5.898   4.839
  341    HB3  ASP   8           HB2      ASP   8  13.424  -6.878   5.098
  342    H    LYS   9           H        LYS   9  13.602  -3.692   3.586
  343    HA   LYS   9           HA       LYS   9  11.003  -3.332   4.577
  344    HB2  LYS   9           HB3      LYS   9  13.118  -1.647   4.231
  345    HB3  LYS   9           HB2      LYS   9  12.102  -1.144   2.884
  346    HG2  LYS   9           HG3      LYS   9  11.449   0.333   4.472
  347    HG3  LYS   9           HG2      LYS   9  10.250  -0.917   4.756
  348    HD2  LYS   9           HD3      LYS   9  12.802  -0.437   6.306
  349    HD3  LYS   9           HD2      LYS   9  11.160  -0.138   6.864
  350    HE2  LYS   9           HE3      LYS   9  12.206  -2.862   6.119
  351    HE3  LYS   9           HE2      LYS   9  12.245  -2.213   7.754
  352    HZ1  LYS   9           HZ1      LYS   9   9.773  -2.586   6.157
  353    HZ2  LYS   9           HZ2      LYS   9   9.867  -2.090   7.769
  354    HZ3  LYS   9           HZ3      LYS   9  10.330  -3.657   7.342
  355    H    VAL  10           H        VAL  10  12.304  -2.864   1.344
  356    HA   VAL  10           HA       VAL  10  10.043  -2.062  -0.063
  357    HB   VAL  10           HB       VAL  10  12.369  -3.746  -1.014
  358   HG11  VAL  10          HG11      VAL  10  10.436  -3.960  -2.512
  359   HG12  VAL  10          HG12      VAL  10  11.751  -3.063  -3.270
  360   HG13  VAL  10          HG13      VAL  10  10.348  -2.204  -2.641
  361   HG21  VAL  10          HG21      VAL  10  11.849  -0.779  -1.137
  362   HG22  VAL  10          HG22      VAL  10  13.194  -1.606  -1.922
  363   HG23  VAL  10          HG23      VAL  10  13.072  -1.596  -0.163
  364    H    GLU  11           H        GLU  11  11.280  -5.177   0.834
  365    HA   GLU  11           HA       GLU  11   9.469  -6.796  -0.630
  366    HB2  GLU  11           HB3      GLU  11  11.656  -7.557   0.298
  367    HB3  GLU  11           HB2      GLU  11  10.952  -7.500   1.907
  368    HG2  GLU  11           HG3      GLU  11   9.314  -9.191   1.245
  369    HG3  GLU  11           HG2      GLU  11  10.040  -9.255  -0.361
  370    H    GLU  12           H        GLU  12   9.496  -5.794   2.803
  371    HA   GLU  12           HA       GLU  12   7.130  -7.172   3.525
  372    HB2  GLU  12           HB3      GLU  12   8.748  -6.357   5.171
  373    HB3  GLU  12           HB2      GLU  12   8.387  -4.696   4.727
  374    HG2  GLU  12           HG3      GLU  12   7.277  -5.185   6.772
  375    HG3  GLU  12           HG2      GLU  12   6.060  -5.054   5.505
  376    H    LEU  13           H        LEU  13   7.619  -3.720   2.998
  377    HA   LEU  13           HA       LEU  13   5.139  -2.690   2.935
  378    HB2  LEU  13           HB3      LEU  13   7.383  -2.087   1.021
  379    HB3  LEU  13           HB2      LEU  13   5.951  -1.092   1.198
  380    HG   LEU  13           HG       LEU  13   7.909  -1.661   3.422
  381   HD11  LEU  13          HD11      LEU  13   8.968  -0.363   1.664
  382   HD12  LEU  13          HD12      LEU  13   8.660   0.642   3.081
  383   HD13  LEU  13          HD13      LEU  13   7.616   0.769   1.667
  384   HD21  LEU  13          HD21      LEU  13   5.672  -1.161   4.219
  385   HD22  LEU  13          HD22      LEU  13   5.608   0.275   3.197
  386   HD23  LEU  13          HD23      LEU  13   6.752   0.196   4.537
  387    H    LEU  14           H        LEU  14   6.608  -4.330   0.127
  388    HA   LEU  14           HA       LEU  14   4.528  -3.995  -1.679
  389    HB2  LEU  14           HB3      LEU  14   6.750  -5.925  -1.463
  390    HB3  LEU  14           HB2      LEU  14   5.341  -6.537  -2.297
  391    HG   LEU  14           HG       LEU  14   7.086  -5.551  -3.796
  392   HD11  LEU  14          HD11      LEU  14   4.739  -5.763  -4.489
  393   HD12  LEU  14          HD12      LEU  14   5.526  -4.361  -5.211
  394   HD13  LEU  14          HD13      LEU  14   4.416  -4.149  -3.858
  395   HD21  LEU  14          HD21      LEU  14   7.805  -3.712  -2.383
  396   HD22  LEU  14          HD22      LEU  14   6.215  -2.962  -2.523
  397   HD23  LEU  14          HD23      LEU  14   7.245  -3.118  -3.946
  398    H    SER  15           H        SER  15   4.998  -6.678   0.604
  399    HA   SER  15           HA       SER  15   2.648  -8.070  -0.024
  400    HB2  SER  15           HB3      SER  15   4.553  -8.969   1.318
  401    HB3  SER  15           HB2      SER  15   4.049  -7.942   2.660
  402    HG   SER  15           HG       SER  15   3.250 -10.334   2.254
  403    H    LYS  16           H        LYS  16   3.288  -5.501   2.306
  404    HA   LYS  16           HA       LYS  16   0.712  -5.427   3.483
  405    HB2  LYS  16           HB3      LYS  16   2.987  -4.360   4.222
  406    HB3  LYS  16           HB2      LYS  16   2.509  -3.024   3.194
  407    HG2  LYS  16           HG3      LYS  16   1.043  -4.027   5.633
  408    HG3  LYS  16           HG2      LYS  16   1.985  -2.545   5.496
  409    HD2  LYS  16           HD3      LYS  16   0.385  -1.818   3.700
  410    HD3  LYS  16           HD2      LYS  16  -0.607  -3.211   4.124
  411    HE2  LYS  16           HE3      LYS  16  -1.523  -1.378   5.293
  412    HE3  LYS  16           HE2      LYS  16  -0.628  -2.319   6.486
  413    HZ1  LYS  16           HZ1      LYS  16   0.477   0.061   5.106
  414    HZ2  LYS  16           HZ2      LYS  16   1.139  -0.754   6.436
  415    HZ3  LYS  16           HZ3      LYS  16  -0.299   0.126   6.609
  416    H    ASN  17           H        ASN  17   2.240  -3.570   0.888
  417    HA   ASN  17           HA       ASN  17   0.178  -1.761   0.349
  418    HB2  ASN  17           HB3      ASN  17   2.561  -1.696  -0.477
  419    HB3  ASN  17           HB2      ASN  17   2.125  -2.912  -1.665
  420   HD21  ASN  17          HD21      ASN  17   3.149  -0.242  -2.116
  421   HD22  ASN  17          HD22      ASN  17   1.966   0.584  -3.057
  422    H    TYR  18           H        TYR  18   0.917  -4.858  -1.248
  423    HA   TYR  18           HA       TYR  18  -1.183  -4.841  -3.082
  424    HB2  TYR  18           HB3      TYR  18   0.919  -6.503  -2.509
  425    HB3  TYR  18           HB2      TYR  18  -0.463  -7.487  -2.038
  426    HD1  TYR  18           HD1      TYR  18  -2.295  -7.878  -3.749
  427    HD2  TYR  18           HD2      TYR  18   1.492  -6.233  -4.756
  428    HE1  TYR  18           HE1      TYR  18  -2.673  -8.463  -6.104
  429    HE2  TYR  18           HE2      TYR  18   1.126  -6.808  -7.111
  430    HH   TYR  18           HH       TYR  18  -0.227  -8.466  -8.414
  431    H    HIS  19           H        HIS  19  -1.101  -5.794   0.292
  432    HA   HIS  19           HA       HIS  19  -3.478  -7.278   0.408
  433    HB2  HIS  19           HB3      HIS  19  -1.835  -7.189   2.260
  434    HB3  HIS  19           HB2      HIS  19  -2.289  -5.511   2.562
  435    HD1  HIS  19           HD1      HIS  19  -3.616  -5.465   4.648
  436    HD2  HIS  19           HD2      HIS  19  -4.599  -8.732   2.275
  437    HE1  HIS  19           HE1      HIS  19  -5.514  -6.613   5.829
  438    HE2  HIS  19           HE2      HIS  19  -6.009  -8.657   4.442
  439    H    LEU  20           H        LEU  20  -2.883  -3.811   0.843
  440    HA   LEU  20           HA       LEU  20  -5.596  -3.237   1.490
  441    HB2  LEU  20           HB3      LEU  20  -3.284  -1.470   0.735
  442    HB3  LEU  20           HB2      LEU  20  -4.890  -0.846   1.002
  443    HG   LEU  20           HG       LEU  20  -3.406  -0.572   2.952
  444   HD11  LEU  20          HD11      LEU  20  -5.001  -1.255   4.600
  445   HD12  LEU  20          HD12      LEU  20  -5.711  -2.425   3.488
  446   HD13  LEU  20          HD13      LEU  20  -5.860  -0.700   3.163
  447   HD21  LEU  20          HD21      LEU  20  -3.532  -3.565   3.089
  448   HD22  LEU  20          HD22      LEU  20  -2.908  -2.497   4.346
  449   HD23  LEU  20          HD23      LEU  20  -2.098  -2.587   2.782
  450    H    GLU  21           H        GLU  21  -3.697  -3.188  -1.482
  451    HA   GLU  21           HA       GLU  21  -5.574  -1.981  -3.166
  452    HB2  GLU  21           HB3      GLU  21  -3.656  -4.229  -3.815
  453    HB3  GLU  21           HB2      GLU  21  -4.504  -3.255  -5.005
  454    HG2  GLU  21           HG3      GLU  21  -3.329  -1.251  -4.136
  455    HG3  GLU  21           HG2      GLU  21  -2.418  -2.304  -3.054
  456    H    ASN  22           H        ASN  22  -5.301  -5.288  -2.018
  457    HA   ASN  22           HA       ASN  22  -7.405  -6.384  -3.565
  458    HB2  ASN  22           HB3      ASN  22  -6.059  -7.218  -1.009
  459    HB3  ASN  22           HB2      ASN  22  -7.457  -8.095  -1.613
  460   HD21  ASN  22          HD21      ASN  22  -5.080  -6.631  -3.725
  461   HD22  ASN  22          HD22      ASN  22  -4.411  -8.117  -4.303
  462    H    GLU  23           H        GLU  23  -7.298  -5.093  -0.261
  463    HA   GLU  23           HA       GLU  23  -9.974  -5.571   0.409
  464    HB2  GLU  23           HB3      GLU  23  -8.236  -3.303   1.395
  465    HB3  GLU  23           HB2      GLU  23  -9.662  -3.949   2.194
  466    HG2  GLU  23           HG3      GLU  23  -7.045  -5.369   1.760
  467    HG3  GLU  23           HG2      GLU  23  -7.664  -4.736   3.284
  468    H    VAL  24           H        VAL  24  -8.429  -2.663  -0.936
  469    HA   VAL  24           HA       VAL  24 -10.620  -0.979  -1.017
  470    HB   VAL  24           HB       VAL  24  -8.303  -1.161  -2.945
  471   HG11  VAL  24          HG11      VAL  24 -10.174  -0.061  -4.060
  472   HG12  VAL  24          HG12      VAL  24  -8.904   1.101  -3.676
  473   HG13  VAL  24          HG13      VAL  24 -10.364   1.030  -2.688
  474   HG21  VAL  24          HG21      VAL  24  -7.631  -0.601  -0.707
  475   HG22  VAL  24          HG22      VAL  24  -8.896   0.621  -0.592
  476   HG23  VAL  24          HG23      VAL  24  -7.549   0.853  -1.703
  477    H    ALA  25           H        ALA  25  -9.466  -3.172  -3.569
  478    HA   ALA  25           HA       ALA  25 -11.407  -2.628  -5.489
  479    HB1  ALA  25           HB1      ALA  25 -10.772  -4.751  -6.499
  480    HB2  ALA  25           HB2      ALA  25  -9.957  -5.224  -5.009
  481    HB3  ALA  25           HB3      ALA  25  -9.353  -3.861  -5.948
  482    H    ARG  26           H        ARG  26 -11.436  -5.056  -2.906
  483    HA   ARG  26           HA       ARG  26 -13.827  -6.342  -3.641
  484    HB2  ARG  26           HB3      ARG  26 -12.092  -7.162  -2.000
  485    HB3  ARG  26           HB2      ARG  26 -12.736  -6.007  -0.844
  486    HG2  ARG  26           HG3      ARG  26 -14.949  -7.144  -1.047
  487    HG3  ARG  26           HG2      ARG  26 -14.160  -8.373  -2.040
  488    HD2  ARG  26           HD2      ARG  26 -13.660  -7.706   0.848
  489    HD3  ARG  26           HD1      ARG  26 -14.198  -9.236   0.160
  490    HE   ARG  26           HE       ARG  26 -11.947  -9.414  -0.848
  491   HH11  ARG  26          HH11      ARG  26 -12.436  -7.403   1.977
  492   HH12  ARG  26          HH12      ARG  26 -10.757  -7.405   2.430
  493   HH21  ARG  26          HH21      ARG  26  -9.734  -9.428  -0.243
  494   HH22  ARG  26          HH22      ARG  26  -9.223  -8.538   1.166
  495    H    LEU  27           H        LEU  27 -13.184  -3.830  -1.215
  496    HA   LEU  27           HA       LEU  27 -15.831  -3.452  -0.386
  497    HB2  LEU  27           HB3      LEU  27 -13.509  -1.525  -0.396
  498    HB3  LEU  27           HB2      LEU  27 -15.014  -1.254   0.458
  499    HG   LEU  27           HG       LEU  27 -13.126  -3.538   0.998
  500   HD11  LEU  27          HD11      LEU  27 -12.130  -1.395   1.579
  501   HD12  LEU  27          HD12      LEU  27 -12.529  -2.327   3.021
  502   HD13  LEU  27          HD13      LEU  27 -13.559  -0.983   2.528
  503   HD21  LEU  27          HD21      LEU  27 -14.474  -3.817   3.041
  504   HD22  LEU  27          HD22      LEU  27 -15.412  -4.088   1.573
  505   HD23  LEU  27          HD23      LEU  27 -15.580  -2.572   2.458
  506    H    LYS  28           H        LYS  28 -14.150  -2.271  -3.189
  507    HA   LYS  28           HA       LYS  28 -15.846  -0.060  -3.727
  508    HB2  LYS  28           HB3      LYS  28 -13.482  -0.556  -4.648
  509    HB3  LYS  28           HB2      LYS  28 -14.304  -1.584  -5.810
  510    HG2  LYS  28           HG3      LYS  28 -13.932   0.523  -6.845
  511    HG3  LYS  28           HG2      LYS  28 -15.657   0.392  -6.502
  512    HD2  LYS  28           HD3      LYS  28 -14.985   2.599  -5.897
  513    HD3  LYS  28           HD2      LYS  28 -15.237   1.696  -4.388
  514    HE2  LYS  28           HE3      LYS  28 -13.224   2.940  -4.134
  515    HE3  LYS  28           HE2      LYS  28 -12.763   1.258  -4.363
  516    HZ1  LYS  28           HZ1      LYS  28 -11.377   2.745  -5.662
  517    HZ2  LYS  28           HZ2      LYS  28 -12.734   3.353  -6.466
  518    HZ3  LYS  28           HZ3      LYS  28 -12.276   1.738  -6.678
  519    H    LYS  29           H        LYS  29 -15.650  -3.365  -5.056
  520    HA   LYS  29           HA       LYS  29 -17.971  -3.257  -6.616
  521    HB2  LYS  29           HB3      LYS  29 -16.830  -5.646  -5.153
  522    HB3  LYS  29           HB2      LYS  29 -17.929  -5.697  -6.519
  523    HG2  LYS  29           HG3      LYS  29 -16.262  -4.874  -8.005
  524    HG3  LYS  29           HG2      LYS  29 -15.184  -4.484  -6.665
  525    HD2  LYS  29           HD3      LYS  29 -14.330  -6.473  -7.563
  526    HD3  LYS  29           HD2      LYS  29 -15.224  -6.972  -6.131
  527    HE2  LYS  29           HE3      LYS  29 -16.425  -7.013  -8.889
  528    HE3  LYS  29           HE2      LYS  29 -15.530  -8.376  -8.228
  529    HZ1  LYS  29           HZ1      LYS  29 -17.857  -8.706  -7.881
  530    HZ2  LYS  29           HZ2      LYS  29 -18.029  -7.204  -7.131
  531    HZ3  LYS  29           HZ3      LYS  29 -17.135  -8.426  -6.379
  532    H    LEU  30           H        LEU  30 -17.497  -3.900  -3.192
  533    HA   LEU  30           HA       LEU  30 -20.108  -4.872  -2.680
  534    HB2  LEU  30           HB3      LEU  30 -18.071  -3.642  -0.829
  535    HB3  LEU  30           HB2      LEU  30 -19.559  -4.396  -0.295
  536    HG   LEU  30           HG       LEU  30 -17.307  -5.787  -1.747
  537   HD11  LEU  30          HD11      LEU  30 -18.208  -5.942   1.125
  538   HD12  LEU  30          HD12      LEU  30 -16.721  -5.203   0.537
  539   HD13  LEU  30          HD13      LEU  30 -16.961  -6.942   0.380
  540   HD21  LEU  30          HD21      LEU  30 -18.562  -7.840  -1.221
  541   HD22  LEU  30          HD22      LEU  30 -19.439  -6.776  -2.319
  542   HD23  LEU  30          HD23      LEU  30 -19.891  -6.851  -0.616
  543    H    VAL  31           H        VAL  31 -18.651  -1.664  -1.977
  544    HA   VAL  31           HA       VAL  31 -21.078  -0.514  -1.129
  545    HB   VAL  31           HB       VAL  31 -18.788   0.365  -0.632
  546   HG11  VAL  31          HG11      VAL  31 -17.748   1.898  -2.235
  547   HG12  VAL  31          HG12      VAL  31 -18.961   1.455  -3.435
  548   HG13  VAL  31          HG13      VAL  31 -17.818   0.246  -2.849
  549   HG21  VAL  31          HG21      VAL  31 -19.444   2.734  -0.713
  550   HG22  VAL  31          HG22      VAL  31 -20.733   1.684  -0.123
  551   HG23  VAL  31          HG23      VAL  31 -20.785   2.303  -1.773
  552    H    GLY  32           H        GLY  32 -19.915  -1.214  -4.295
  553    HA2  GLY  32           HA3      GLY  32 -21.507   0.781  -5.628
  554    HA3  GLY  32           HA2      GLY  32 -20.612  -0.524  -6.392
  555    H    GLU  33           H        GLU  33 -22.243  -2.090  -4.116
  556    HA   GLU  33           HA       GLU  33 -24.347  -2.888  -5.948
  557    HB2  GLU  33           HB3      GLU  33 -23.450  -3.918  -3.248
  558    HB3  GLU  33           HB2      GLU  33 -24.848  -4.573  -4.089
  559    HG2  GLU  33           HG3      GLU  33 -22.056  -4.522  -5.212
  560    HG3  GLU  33           HG2      GLU  33 -22.767  -5.893  -4.364
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  20.937  -3.655  -7.516
    2    H2   GLY   1           H2       GLY   1  19.404  -3.654  -8.226
    3    H3   GLY   1           H3       GLY   1  19.557  -3.721  -6.545
    4    HA2  GLY   1           HA2      GLY   1  20.356  -1.441  -8.260
    5    HA3  GLY   1           HA3      GLY   1  18.908  -1.511  -7.265
    6    H    SER   2           H        SER   2  20.508   0.562  -6.817
    7    HA   SER   2           HA       SER   2  22.486  -0.038  -4.806
    8    HB2  SER   2           HB3      SER   2  22.740   2.441  -4.725
    9    HB3  SER   2           HB2      SER   2  22.903   1.787  -6.355
   10    HG   SER   2           HG       SER   2  21.510   3.410  -6.648
   11    H    MET   3           H        MET   3  22.397   1.484  -2.784
   12    HA   MET   3           HA       MET   3  20.166   0.812  -1.200
   13    HB2  MET   3           HB3      MET   3  22.373   1.339  -0.248
   14    HB3  MET   3           HB2      MET   3  22.223   3.000  -0.799
   15    HG2  MET   3           HG3      MET   3  20.272   3.288   0.675
   16    HG3  MET   3           HG2      MET   3  20.502   1.641   1.261
   17    HE1  MET   3           HE1      MET   3  23.674   1.401   1.446
   18    HE2  MET   3           HE2      MET   3  22.556   0.842   2.690
   19    HE3  MET   3           HE3      MET   3  23.920   1.873   3.128
   20    H    LYS   4           H        LYS   4  21.068   3.733  -2.958
   21    HA   LYS   4           HA       LYS   4  18.971   5.398  -2.168
   22    HB2  LYS   4           HB3      LYS   4  20.901   6.258  -3.356
   23    HB3  LYS   4           HB2      LYS   4  20.508   5.290  -4.767
   24    HG2  LYS   4           HG3      LYS   4  19.888   7.570  -5.169
   25    HG3  LYS   4           HG2      LYS   4  18.428   6.588  -5.041
   26    HD2  LYS   4           HD3      LYS   4  18.221   7.314  -2.671
   27    HD3  LYS   4           HD2      LYS   4  19.594   8.395  -2.925
   28    HE2  LYS   4           HE3      LYS   4  16.963   8.475  -4.397
   29    HE3  LYS   4           HE2      LYS   4  17.481   9.594  -3.138
   30    HZ1  LYS   4           HZ1      LYS   4  18.824   9.228  -5.763
   31    HZ2  LYS   4           HZ2      LYS   4  19.273  10.332  -4.564
   32    HZ3  LYS   4           HZ3      LYS   4  17.793  10.508  -5.362
   33    H    GLN   5           H        GLN   5  19.182   3.053  -4.808
   34    HA   GLN   5           HA       GLN   5  16.745   3.609  -6.056
   35    HB2  GLN   5           HB3      GLN   5  18.556   2.144  -6.957
   36    HB3  GLN   5           HB2      GLN   5  18.082   0.907  -5.806
   37    HG2  GLN   5           HG3      GLN   5  16.092   2.007  -7.747
   38    HG3  GLN   5           HG2      GLN   5  17.249   0.783  -8.253
   39   HE21  GLN   5          HE21      GLN   5  17.267  -0.571  -5.681
   40   HE22  GLN   5          HE22      GLN   5  15.766  -1.410  -5.566
   41    H    LEU   6           H        LEU   6  17.508   1.458  -3.364
   42    HA   LEU   6           HA       LEU   6  14.833   0.506  -3.060
   43    HB2  LEU   6           HB3      LEU   6  17.155   0.469  -1.126
   44    HB3  LEU   6           HB2      LEU   6  15.616  -0.314  -0.840
   45    HG   LEU   6           HG       LEU   6  17.490  -1.007  -3.104
   46   HD11  LEU   6          HD11      LEU   6  16.931  -2.442  -0.514
   47   HD12  LEU   6          HD12      LEU   6  18.419  -1.585  -0.920
   48   HD13  LEU   6          HD13      LEU   6  17.954  -3.025  -1.825
   49   HD21  LEU   6          HD21      LEU   6  15.178  -1.469  -3.659
   50   HD22  LEU   6          HD22      LEU   6  14.945  -2.290  -2.117
   51   HD23  LEU   6          HD23      LEU   6  16.026  -2.980  -3.327
   52    H    GLU   7           H        GLU   7  16.656   3.204  -1.772
   53    HA   GLU   7           HA       GLU   7  14.849   3.875   0.287
   54    HB2  GLU   7           HB3      GLU   7  17.062   4.779   0.377
   55    HB3  GLU   7           HB2      GLU   7  16.903   5.495  -1.220
   56    HG2  GLU   7           HG3      GLU   7  15.269   7.076  -0.383
   57    HG3  GLU   7           HG2      GLU   7  15.360   6.344   1.235
   58    H    ASP   8           H        ASP   8  15.136   4.945  -3.094
   59    HA   ASP   8           HA       ASP   8  12.986   6.754  -3.081
   60    HB2  ASP   8           HB3      ASP   8  14.190   5.063  -5.259
   61    HB3  ASP   8           HB2      ASP   8  12.799   6.093  -5.570
   62    H    LYS   9           H        LYS   9  13.099   3.287  -3.246
   63    HA   LYS   9           HA       LYS   9  10.371   2.963  -4.077
   64    HB2  LYS   9           HB3      LYS   9  12.643   1.217  -3.427
   65    HB3  LYS   9           HB2      LYS   9  11.052   0.566  -3.084
   66    HG2  LYS   9           HG3      LYS   9  11.976   1.623  -5.752
   67    HG3  LYS   9           HG2      LYS   9  11.863  -0.073  -5.298
   68    HD2  LYS   9           HD3      LYS   9   9.458   0.137  -5.001
   69    HD3  LYS   9           HD2      LYS   9   9.544   1.855  -5.385
   70    HE2  LYS   9           HE3      LYS   9  10.341   1.327  -7.626
   71    HE3  LYS   9           HE2      LYS   9  10.294  -0.393  -7.247
   72    HZ1  LYS   9           HZ1      LYS   9   7.911  -0.235  -6.955
   73    HZ2  LYS   9           HZ2      LYS   9   8.345   0.313  -8.492
   74    HZ3  LYS   9           HZ3      LYS   9   7.943   1.429  -7.280
   75    H    VAL  10           H        VAL  10  12.141   2.521  -1.037
   76    HA   VAL  10           HA       VAL  10  10.001   1.542   0.506
   77    HB   VAL  10           HB       VAL  10  12.439   1.583   1.185
   78   HG11  VAL  10          HG11      VAL  10  11.804   4.401   2.039
   79   HG12  VAL  10          HG12      VAL  10  12.888   3.948   0.725
   80   HG13  VAL  10          HG13      VAL  10  13.285   3.511   2.387
   81   HG21  VAL  10          HG21      VAL  10  10.420   2.590   3.178
   82   HG22  VAL  10          HG22      VAL  10  11.947   1.799   3.570
   83   HG23  VAL  10          HG23      VAL  10  10.686   0.910   2.715
   84    H    GLU  11           H        GLU  11  10.906   4.603  -0.655
   85    HA   GLU  11           HA       GLU  11   9.052   6.163   0.933
   86    HB2  GLU  11           HB3      GLU  11  10.736   6.785  -1.487
   87    HB3  GLU  11           HB2      GLU  11   9.609   7.949  -0.805
   88    HG2  GLU  11           HG3      GLU  11  11.841   6.670   0.748
   89    HG3  GLU  11           HG2      GLU  11  11.970   8.221  -0.076
   90    H    GLU  12           H        GLU  12   9.215   5.254  -2.519
   91    HA   GLU  12           HA       GLU  12   6.818   6.344  -3.370
   92    HB2  GLU  12           HB3      GLU  12   8.573   5.448  -4.839
   93    HB3  GLU  12           HB2      GLU  12   8.190   3.819  -4.308
   94    HG2  GLU  12           HG3      GLU  12   5.907   4.127  -5.250
   95    HG3  GLU  12           HG2      GLU  12   6.456   5.664  -5.922
   96    H    LEU  13           H        LEU  13   7.379   2.928  -2.649
   97    HA   LEU  13           HA       LEU  13   4.818   1.988  -2.652
   98    HB2  LEU  13           HB3      LEU  13   7.059   1.167  -0.810
   99    HB3  LEU  13           HB2      LEU  13   5.593   0.243  -1.073
  100    HG   LEU  13           HG       LEU  13   7.673   0.868  -3.172
  101   HD11  LEU  13          HD11      LEU  13   7.005  -1.690  -1.727
  102   HD12  LEU  13          HD12      LEU  13   8.474  -0.733  -1.536
  103   HD13  LEU  13          HD13      LEU  13   8.138  -1.537  -3.070
  104   HD21  LEU  13          HD21      LEU  13   5.457   0.721  -4.149
  105   HD22  LEU  13          HD22      LEU  13   5.163  -0.800  -3.306
  106   HD23  LEU  13          HD23      LEU  13   6.399  -0.711  -4.560
  107    H    LEU  14           H        LEU  14   6.521   3.335   0.197
  108    HA   LEU  14           HA       LEU  14   4.462   2.854   2.017
  109    HB2  LEU  14           HB3      LEU  14   6.751   3.373   2.698
  110    HB3  LEU  14           HB2      LEU  14   6.575   5.008   2.101
  111    HG   LEU  14           HG       LEU  14   4.804   5.399   3.804
  112   HD11  LEU  14          HD11      LEU  14   4.029   3.150   4.168
  113   HD12  LEU  14          HD12      LEU  14   4.651   3.800   5.683
  114   HD13  LEU  14          HD13      LEU  14   5.618   2.657   4.751
  115   HD21  LEU  14          HD21      LEU  14   7.476   4.485   4.856
  116   HD22  LEU  14          HD22      LEU  14   6.335   5.522   5.713
  117   HD23  LEU  14          HD23      LEU  14   7.093   6.087   4.225
  118    H    SER  15           H        SER  15   5.107   5.752   0.025
  119    HA   SER  15           HA       SER  15   2.942   7.228   1.083
  120    HB2  SER  15           HB3      SER  15   3.147   8.599  -1.012
  121    HB3  SER  15           HB2      SER  15   4.651   8.415  -0.113
  122    HG   SER  15           HG       SER  15   4.611   6.414  -1.789
  123    H    LYS  16           H        LYS  16   3.156   4.748  -1.354
  124    HA   LYS  16           HA       LYS  16   0.479   5.123  -2.298
  125    HB2  LYS  16           HB3      LYS  16   2.095   4.052  -3.761
  126    HB3  LYS  16           HB2      LYS  16   2.384   2.786  -2.578
  127    HG2  LYS  16           HG3      LYS  16   0.109   1.975  -2.866
  128    HG3  LYS  16           HG2      LYS  16  -0.217   3.254  -4.034
  129    HD2  LYS  16           HD3      LYS  16   1.573   2.354  -5.481
  130    HD3  LYS  16           HD2      LYS  16   1.809   1.036  -4.332
  131    HE2  LYS  16           HE3      LYS  16  -0.405   0.197  -4.746
  132    HE3  LYS  16           HE2      LYS  16  -0.808   1.612  -5.718
  133    HZ1  LYS  16           HZ1      LYS  16  -0.291  -0.357  -7.051
  134    HZ2  LYS  16           HZ2      LYS  16   1.275  -0.385  -6.412
  135    HZ3  LYS  16           HZ3      LYS  16   0.774   0.919  -7.365
  136    H    ASN  17           H        ASN  17   2.063   2.965   0.073
  137    HA   ASN  17           HA       ASN  17  -0.117   1.433   0.839
  138    HB2  ASN  17           HB3      ASN  17   2.083   2.592   2.567
  139    HB3  ASN  17           HB2      ASN  17   0.896   1.454   3.175
  140   HD21  ASN  17          HD21      ASN  17   1.031  -0.749   2.493
  141   HD22  ASN  17          HD22      ASN  17   2.458  -1.356   1.732
  142    H    TYR  18           H        TYR  18   0.879   4.588   2.112
  143    HA   TYR  18           HA       TYR  18  -1.113   5.069   3.930
  144    HB2  TYR  18           HB3      TYR  18   0.974   6.465   3.036
  145    HB3  TYR  18           HB2      TYR  18  -0.292   7.307   2.147
  146    HD1  TYR  18           HD1      TYR  18   1.140   6.619   5.412
  147    HD2  TYR  18           HD2      TYR  18  -1.994   8.601   3.338
  148    HE1  TYR  18           HE1      TYR  18   0.656   7.930   7.419
  149    HE2  TYR  18           HE2      TYR  18  -2.487   9.928   5.343
  150    HH   TYR  18           HH       TYR  18  -0.395  10.099   7.999
  151    H    HIS  19           H        HIS  19  -1.158   5.837   0.458
  152    HA   HIS  19           HA       HIS  19  -3.718   6.980   0.392
  153    HB2  HIS  19           HB3      HIS  19  -2.116   7.263  -1.435
  154    HB3  HIS  19           HB2      HIS  19  -2.200   5.544  -1.798
  155    HD1  HIS  19           HD1      HIS  19  -3.562   5.131  -3.811
  156    HD2  HIS  19           HD2      HIS  19  -4.989   8.368  -1.633
  157    HE1  HIS  19           HE1      HIS  19  -5.570   5.959  -5.071
  158    HE2  HIS  19           HE2      HIS  19  -6.316   8.016  -3.821
  159    H    LEU  20           H        LEU  20  -2.646   3.641  -0.134
  160    HA   LEU  20           HA       LEU  20  -5.179   2.635  -0.879
  161    HB2  LEU  20           HB3      LEU  20  -2.880   1.144   0.375
  162    HB3  LEU  20           HB2      LEU  20  -4.236   0.429  -0.460
  163    HG   LEU  20           HG       LEU  20  -2.329   2.314  -1.822
  164   HD11  LEU  20          HD11      LEU  20  -1.258   0.297  -2.747
  165   HD12  LEU  20          HD12      LEU  20  -2.203  -0.685  -1.629
  166   HD13  LEU  20          HD13      LEU  20  -1.021   0.465  -1.008
  167   HD21  LEU  20          HD21      LEU  20  -4.304   0.278  -2.842
  168   HD22  LEU  20          HD22      LEU  20  -3.204   1.229  -3.841
  169   HD23  LEU  20          HD23      LEU  20  -4.473   2.032  -2.917
  170    H    GLU  21           H        GLU  21  -3.507   2.771   2.264
  171    HA   GLU  21           HA       GLU  21  -5.403   1.345   3.747
  172    HB2  GLU  21           HB3      GLU  21  -3.716   3.670   4.707
  173    HB3  GLU  21           HB2      GLU  21  -4.521   2.496   5.735
  174    HG2  GLU  21           HG3      GLU  21  -3.103   0.726   4.680
  175    HG3  GLU  21           HG2      GLU  21  -2.228   2.017   3.857
  176    H    ASN  22           H        ASN  22  -5.266   4.741   2.831
  177    HA   ASN  22           HA       ASN  22  -7.458   5.627   4.372
  178    HB2  ASN  22           HB3      ASN  22  -6.240   6.703   1.829
  179    HB3  ASN  22           HB2      ASN  22  -7.551   7.511   2.683
  180   HD21  ASN  22          HD21      ASN  22  -4.879   8.464   2.147
  181   HD22  ASN  22          HD22      ASN  22  -4.165   8.801   3.682
  182    H    GLU  23           H        GLU  23  -7.241   4.556   0.990
  183    HA   GLU  23           HA       GLU  23  -9.936   4.847   0.321
  184    HB2  GLU  23           HB3      GLU  23  -7.996   2.747  -0.672
  185    HB3  GLU  23           HB2      GLU  23  -9.513   3.183  -1.448
  186    HG2  GLU  23           HG3      GLU  23  -7.117   4.971  -1.087
  187    HG3  GLU  23           HG2      GLU  23  -7.627   4.192  -2.584
  188    H    VAL  24           H        VAL  24  -8.199   2.066   1.666
  189    HA   VAL  24           HA       VAL  24 -10.264   0.227   1.803
  190    HB   VAL  24           HB       VAL  24  -7.989   0.616   3.763
  191   HG11  VAL  24          HG11      VAL  24  -9.785  -0.703   4.765
  192   HG12  VAL  24          HG12      VAL  24  -8.374  -1.704   4.425
  193   HG13  VAL  24          HG13      VAL  24  -9.784  -1.777   3.367
  194   HG21  VAL  24          HG21      VAL  24  -6.937  -1.224   2.514
  195   HG22  VAL  24          HG22      VAL  24  -7.217   0.196   1.505
  196   HG23  VAL  24          HG23      VAL  24  -8.286  -1.201   1.376
  197    H    ALA  25           H        ALA  25  -9.247   2.623   4.230
  198    HA   ALA  25           HA       ALA  25 -11.091   1.945   6.225
  199    HB1  ALA  25           HB1      ALA  25 -10.530   4.070   7.245
  200    HB2  ALA  25           HB2      ALA  25  -9.807   4.622   5.734
  201    HB3  ALA  25           HB3      ALA  25  -9.082   3.283   6.620
  202    H    ARG  26           H        ARG  26 -11.297   4.495   3.739
  203    HA   ARG  26           HA       ARG  26 -13.759   5.565   4.578
  204    HB2  ARG  26           HB3      ARG  26 -12.590   5.473   1.793
  205    HB3  ARG  26           HB2      ARG  26 -13.913   6.508   2.305
  206    HG2  ARG  26           HG3      ARG  26 -11.145   6.603   3.454
  207    HG3  ARG  26           HG2      ARG  26 -11.714   7.643   2.150
  208    HD2  ARG  26           HD2      ARG  26 -12.031   8.985   4.006
  209    HD3  ARG  26           HD1      ARG  26 -13.620   8.250   3.808
  210    HE   ARG  26           HE       ARG  26 -11.745   6.963   5.643
  211   HH11  ARG  26          HH11      ARG  26 -14.586   8.973   5.205
  212   HH12  ARG  26          HH12      ARG  26 -15.096   8.828   6.856
  213   HH21  ARG  26          HH21      ARG  26 -12.412   6.793   7.826
  214   HH22  ARG  26          HH22      ARG  26 -13.864   7.592   8.347
  215    H    LEU  27           H        LEU  27 -13.000   3.202   2.055
  216    HA   LEU  27           HA       LEU  27 -15.650   2.674   1.276
  217    HB2  LEU  27           HB3      LEU  27 -13.232   0.870   1.164
  218    HB3  LEU  27           HB2      LEU  27 -14.744   0.570   0.335
  219    HG   LEU  27           HG       LEU  27 -12.960   2.941  -0.169
  220   HD11  LEU  27          HD11      LEU  27 -12.374   1.831  -2.251
  221   HD12  LEU  27          HD12      LEU  27 -13.346   0.434  -1.790
  222   HD13  LEU  27          HD13      LEU  27 -11.906   0.853  -0.862
  223   HD21  LEU  27          HD21      LEU  27 -15.283   3.422  -0.660
  224   HD22  LEU  27          HD22      LEU  27 -15.413   1.937  -1.601
  225   HD23  LEU  27          HD23      LEU  27 -14.374   3.247  -2.161
  226    H    LYS  28           H        LYS  28 -13.793   1.493   3.969
  227    HA   LYS  28           HA       LYS  28 -15.306  -0.835   4.515
  228    HB2  LYS  28           HB3      LYS  28 -12.991  -0.334   5.371
  229    HB3  LYS  28           HB2      LYS  28 -13.714   0.827   6.469
  230    HG2  LYS  28           HG3      LYS  28 -13.327  -1.160   7.696
  231    HG3  LYS  28           HG2      LYS  28 -15.066  -1.040   7.434
  232    HD2  LYS  28           HD3      LYS  28 -14.417  -3.312   7.053
  233    HD3  LYS  28           HD2      LYS  28 -14.805  -2.582   5.480
  234    HE2  LYS  28           HE3      LYS  28 -12.788  -3.945   5.336
  235    HE3  LYS  28           HE2      LYS  28 -12.412  -2.248   5.055
  236    HZ1  LYS  28           HZ1      LYS  28 -12.002  -3.693   7.616
  237    HZ2  LYS  28           HZ2      LYS  28 -11.598  -2.080   7.315
  238    HZ3  LYS  28           HZ3      LYS  28 -10.790  -3.320   6.499
  239    H    LYS  29           H        LYS  29 -15.353   2.459   5.892
  240    HA   LYS  29           HA       LYS  29 -17.564   2.170   7.547
  241    HB2  LYS  29           HB3      LYS  29 -16.279   4.160   7.712
  242    HB3  LYS  29           HB2      LYS  29 -16.486   4.527   6.007
  243    HG2  LYS  29           HG3      LYS  29 -18.848   5.007   6.390
  244    HG3  LYS  29           HG2      LYS  29 -18.654   4.628   8.101
  245    HD2  LYS  29           HD3      LYS  29 -17.070   6.459   8.344
  246    HD3  LYS  29           HD2      LYS  29 -17.210   6.822   6.622
  247    HE2  LYS  29           HE3      LYS  29 -18.571   8.332   8.006
  248    HE3  LYS  29           HE2      LYS  29 -19.551   7.375   6.897
  249    HZ1  LYS  29           HZ1      LYS  29 -20.552   7.460   9.080
  250    HZ2  LYS  29           HZ2      LYS  29 -19.159   6.822   9.785
  251    HZ3  LYS  29           HZ3      LYS  29 -20.076   5.877   8.730
  252    H    LEU  30           H        LEU  30 -17.428   2.912   4.088
  253    HA   LEU  30           HA       LEU  30 -20.154   3.505   3.746
  254    HB2  LEU  30           HB3      LEU  30 -18.173   2.415   1.749
  255    HB3  LEU  30           HB2      LEU  30 -19.741   3.085   1.345
  256    HG   LEU  30           HG       LEU  30 -17.453   4.598   2.608
  257   HD11  LEU  30          HD11      LEU  30 -17.344   5.771   0.474
  258   HD12  LEU  30          HD12      LEU  30 -18.621   4.739  -0.167
  259   HD13  LEU  30          HD13      LEU  30 -17.060   4.045   0.263
  260   HD21  LEU  30          HD21      LEU  30 -19.597   5.449   3.368
  261   HD22  LEU  30          HD22      LEU  30 -20.174   5.536   1.705
  262   HD23  LEU  30          HD23      LEU  30 -18.855   6.579   2.235
  263    H    VAL  31           H        VAL  31 -18.394   0.460   3.110
  264    HA   VAL  31           HA       VAL  31 -20.668  -1.067   2.478
  265    HB   VAL  31           HB       VAL  31 -18.046  -2.013   3.653
  266   HG11  VAL  31          HG11      VAL  31 -18.581  -4.170   2.659
  267   HG12  VAL  31          HG12      VAL  31 -20.128  -3.541   2.094
  268   HG13  VAL  31          HG13      VAL  31 -19.818  -3.697   3.823
  269   HG21  VAL  31          HG21      VAL  31 -17.417  -2.462   1.320
  270   HG22  VAL  31          HG22      VAL  31 -17.702  -0.746   1.614
  271   HG23  VAL  31          HG23      VAL  31 -18.921  -1.713   0.783
  272    H    GLY  32           H        GLY  32 -19.300  -0.141   5.570
  273    HA2  GLY  32           HA3      GLY  32 -20.379  -2.126   7.210
  274    HA3  GLY  32           HA2      GLY  32 -19.995  -0.491   7.721
  275    H    GLU  33           H        GLU  33 -21.791   0.973   6.198
  276    HA   GLU  33           HA       GLU  33 -24.413  -0.104   6.959
  277    HB2  GLU  33           HB3      GLU  33 -23.355   2.672   7.564
  278    HB3  GLU  33           HB2      GLU  33 -25.055   2.245   7.694
  279    HG2  GLU  33           HG3      GLU  33 -24.524   0.609   9.417
  280    HG3  GLU  33           HG2      GLU  33 -22.809   0.977   9.253
  281    H1   GLY   1           H1       GLY   1  20.966   3.482   7.836
  282    H2   GLY   1           H2       GLY   1  19.445   3.475   8.567
  283    H3   GLY   1           H3       GLY   1  19.573   3.526   6.885
  284    HA2  GLY   1           HA2      GLY   1  20.413   1.275   8.612
  285    HA3  GLY   1           HA3      GLY   1  18.955   1.320   7.630
  286    H    SER   2           H        SER   2  20.570  -0.741   7.188
  287    HA   SER   2           HA       SER   2  22.525  -0.139   5.152
  288    HB2  SER   2           HB3      SER   2  22.804  -2.617   5.090
  289    HB3  SER   2           HB2      SER   2  22.979  -1.945   6.711
  290    HG   SER   2           HG       SER   2  21.611  -3.581   7.035
  291    H    MET   3           H        MET   3  22.434  -1.682   3.147
  292    HA   MET   3           HA       MET   3  20.181  -1.053   1.579
  293    HB2  MET   3           HB3      MET   3  22.386  -1.562   0.611
  294    HB3  MET   3           HB2      MET   3  22.259  -3.220   1.178
  295    HG2  MET   3           HG3      MET   3  20.299  -3.541  -0.271
  296    HG3  MET   3           HG2      MET   3  20.499  -1.896  -0.872
  297    HE1  MET   3           HE1      MET   3  23.672  -1.625  -1.092
  298    HE2  MET   3           HE2      MET   3  22.537  -1.084  -2.329
  299    HE3  MET   3           HE3      MET   3  23.905  -2.106  -2.773
  300    H    LYS   4           H        LYS   4  21.139  -3.944   3.353
  301    HA   LYS   4           HA       LYS   4  19.054  -5.642   2.606
  302    HB2  LYS   4           HB3      LYS   4  21.001  -6.470   3.785
  303    HB3  LYS   4           HB2      LYS   4  20.613  -5.490   5.191
  304    HG2  LYS   4           HG3      LYS   4  20.014  -7.772   5.621
  305    HG3  LYS   4           HG2      LYS   4  18.547  -6.802   5.493
  306    HD2  LYS   4           HD3      LYS   4  18.327  -7.555   3.132
  307    HD3  LYS   4           HD2      LYS   4  19.710  -8.622   3.389
  308    HE2  LYS   4           HE3      LYS   4  17.095  -8.706   4.889
  309    HE3  LYS   4           HE2      LYS   4  17.602  -9.829   3.629
  310    HZ1  LYS   4           HZ1      LYS   4  18.976  -9.442   6.233
  311    HZ2  LYS   4           HZ2      LYS   4  19.421 -10.545   5.034
  312    HZ3  LYS   4           HZ3      LYS   4  17.953 -10.730   5.850
  313    H    GLN   5           H        GLN   5  19.262  -3.266   5.218
  314    HA   GLN   5           HA       GLN   5  16.846  -3.840   6.499
  315    HB2  GLN   5           HB3      GLN   5  18.650  -2.340   7.363
  316    HB3  GLN   5           HB2      GLN   5  18.146  -1.123   6.205
  317    HG2  GLN   5           HG3      GLN   5  16.189  -2.228   8.174
  318    HG3  GLN   5           HG2      GLN   5  17.337  -0.986   8.659
  319   HE21  GLN   5          HE21      GLN   5  17.312   0.349   6.074
  320   HE22  GLN   5          HE22      GLN   5  15.799   1.173   5.976
  321    H    LEU   6           H        LEU   6  17.550  -1.703   3.775
  322    HA   LEU   6           HA       LEU   6  14.862  -0.784   3.492
  323    HB2  LEU   6           HB3      LEU   6  17.165  -0.743   1.536
  324    HB3  LEU   6           HB2      LEU   6  15.616   0.019   1.254
  325    HG   LEU   6           HG       LEU   6  17.501   0.755   3.496
  326   HD11  LEU   6          HD11      LEU   6  16.908   2.166   0.899
  327   HD12  LEU   6          HD12      LEU   6  18.407   1.329   1.302
  328   HD13  LEU   6          HD13      LEU   6  17.933   2.770   2.201
  329   HD21  LEU   6          HD21      LEU   6  15.191   1.199   4.069
  330   HD22  LEU   6          HD22      LEU   6  14.933   2.003   2.522
  331   HD23  LEU   6          HD23      LEU   6  16.018   2.715   3.715
  332    H    GLU   7           H        GLU   7  16.702  -3.474   2.212
  333    HA   GLU   7           HA       GLU   7  14.888  -4.187   0.178
  334    HB2  GLU   7           HB3      GLU   7  17.107  -5.074   0.074
  335    HB3  GLU   7           HB2      GLU   7  16.972  -5.774   1.680
  336    HG2  GLU   7           HG3      GLU   7  15.347  -7.382   0.878
  337    HG3  GLU   7           HG2      GLU   7  15.408  -6.661  -0.747
  338    H    ASP   8           H        ASP   8  15.217  -5.216   3.567
  339    HA   ASP   8           HA       ASP   8  13.086  -7.045   3.589
  340    HB2  ASP   8           HB3      ASP   8  14.307  -5.334   5.739
  341    HB3  ASP   8           HB2      ASP   8  12.918  -6.360   6.074
  342    H    LYS   9           H        LYS   9  13.164  -3.579   3.721
  343    HA   LYS   9           HA       LYS   9  10.442  -3.282   4.576
  344    HB2  LYS   9           HB3      LYS   9  12.686  -1.516   3.885
  345    HB3  LYS   9           HB2      LYS   9  11.083  -0.888   3.553
  346    HG2  LYS   9           HG3      LYS   9  12.050  -1.904   6.222
  347    HG3  LYS   9           HG2      LYS   9  11.910  -0.213   5.751
  348    HD2  LYS   9           HD3      LYS   9   9.506  -0.454   5.486
  349    HD3  LYS   9           HD2      LYS   9   9.616  -2.168   5.884
  350    HE2  LYS   9           HE3      LYS   9  10.431  -1.610   8.114
  351    HE3  LYS   9           HE2      LYS   9  10.362   0.105   7.718
  352    HZ1  LYS   9           HZ1      LYS   9   7.977  -0.071   7.459
  353    HZ2  LYS   9           HZ2      LYS   9   8.433  -0.616   8.992
  354    HZ3  LYS   9           HZ3      LYS   9   8.027  -1.734   7.787
  355    H    VAL  10           H        VAL  10  12.172  -2.848   1.514
  356    HA   VAL  10           HA       VAL  10  10.006  -1.911  -0.020
  357    HB   VAL  10           HB       VAL  10  12.441  -1.932  -0.723
  358   HG11  VAL  10          HG11      VAL  10  11.829  -4.766  -1.536
  359   HG12  VAL  10          HG12      VAL  10  12.918  -4.284  -0.239
  360   HG13  VAL  10          HG13      VAL  10  13.297  -3.863  -1.910
  361   HG21  VAL  10          HG21      VAL  10  10.412  -2.979  -2.687
  362   HG22  VAL  10          HG22      VAL  10  11.926  -2.175  -3.100
  363   HG23  VAL  10          HG23      VAL  10  10.665  -1.291  -2.242
  364    H    GLU  11           H        GLU  11  10.961  -4.948   1.166
  365    HA   GLU  11           HA       GLU  11   9.109  -6.548  -0.385
  366    HB2  GLU  11           HB3      GLU  11  10.822  -7.123   2.028
  367    HB3  GLU  11           HB2      GLU  11   9.709  -8.310   1.365
  368    HG2  GLU  11           HG3      GLU  11  11.903  -7.009  -0.224
  369    HG3  GLU  11           HG2      GLU  11  12.075  -8.546   0.620
  370    H    GLU  12           H        GLU  12   9.296  -5.601   3.051
  371    HA   GLU  12           HA       GLU  12   6.923  -6.709   3.942
  372    HB2  GLU  12           HB3      GLU  12   8.686  -5.776   5.381
  373    HB3  GLU  12           HB2      GLU  12   8.272  -4.158   4.839
  374    HG2  GLU  12           HG3      GLU  12   6.008  -4.488   5.813
  375    HG3  GLU  12           HG2      GLU  12   6.584  -6.014   6.490
  376    H    LEU  13           H        LEU  13   7.436  -3.295   3.174
  377    HA   LEU  13           HA       LEU  13   4.863  -2.384   3.197
  378    HB2  LEU  13           HB3      LEU  13   7.077  -1.558   1.325
  379    HB3  LEU  13           HB2      LEU  13   5.603  -0.647   1.590
  380    HG   LEU  13           HG       LEU  13   7.710  -1.227   3.676
  381   HD11  LEU  13          HD11      LEU  13   7.000   1.310   2.213
  382   HD12  LEU  13          HD12      LEU  13   8.476   0.366   2.017
  383   HD13  LEU  13          HD13      LEU  13   8.148   1.181   3.545
  384   HD21  LEU  13          HD21      LEU  13   5.505  -1.093   4.675
  385   HD22  LEU  13          HD22      LEU  13   5.183   0.414   3.817
  386   HD23  LEU  13          HD23      LEU  13   6.434   0.355   5.058
  387    H    LEU  14           H        LEU  14   6.553  -3.737   0.344
  388    HA   LEU  14           HA       LEU  14   4.470  -3.303  -1.459
  389    HB2  LEU  14           HB3      LEU  14   6.757  -3.801  -2.157
  390    HB3  LEU  14           HB2      LEU  14   6.608  -5.432  -1.541
  391    HG   LEU  14           HG       LEU  14   4.823  -5.858  -3.222
  392   HD11  LEU  14          HD11      LEU  14   4.021  -3.622  -3.600
  393   HD12  LEU  14          HD12      LEU  14   4.636  -4.278  -5.116
  394   HD13  LEU  14          HD13      LEU  14   5.600  -3.119  -4.204
  395   HD21  LEU  14          HD21      LEU  14   7.477  -4.933  -4.308
  396   HD22  LEU  14          HD22      LEU  14   6.338  -5.988  -5.145
  397   HD23  LEU  14          HD23      LEU  14   7.115  -6.531  -3.657
  398    H    SER  15           H        SER  15   5.171  -6.174   0.552
  399    HA   SER  15           HA       SER  15   3.010  -7.683  -0.467
  400    HB2  SER  15           HB3      SER  15   3.253  -9.026   1.645
  401    HB3  SER  15           HB2      SER  15   4.740  -8.843   0.718
  402    HG   SER  15           HG       SER  15   4.700  -6.817   2.368
  403    H    LYS  16           H        LYS  16   3.220  -5.172   1.940
  404    HA   LYS  16           HA       LYS  16   0.557  -5.570   2.919
  405    HB2  LYS  16           HB3      LYS  16   2.175  -4.465   4.357
  406    HB3  LYS  16           HB2      LYS  16   2.436  -3.208   3.157
  407    HG2  LYS  16           HG3      LYS  16   0.156  -2.420   3.462
  408    HG3  LYS  16           HG2      LYS  16  -0.143  -3.690   4.645
  409    HD2  LYS  16           HD3      LYS  16   1.652  -2.755   6.065
  410    HD3  LYS  16           HD2      LYS  16   1.861  -1.446   4.901
  411    HE2  LYS  16           HE3      LYS  16  -0.356  -0.626   5.329
  412    HE3  LYS  16           HE2      LYS  16  -0.737  -2.036   6.316
  413    HZ1  LYS  16           HZ1      LYS  16  -0.228  -0.040   7.625
  414    HZ2  LYS  16           HZ2      LYS  16   1.333  -0.017   6.980
  415    HZ3  LYS  16           HZ3      LYS  16   0.842  -1.310   7.950
  416    H    ASN  17           H        ASN  17   2.091  -3.419   0.512
  417    HA   ASN  17           HA       ASN  17  -0.114  -1.919  -0.246
  418    HB2  ASN  17           HB3      ASN  17   2.082  -3.070  -1.986
  419    HB3  ASN  17           HB2      ASN  17   0.874  -1.951  -2.594
  420   HD21  ASN  17          HD21      ASN  17   0.992   0.260  -1.937
  421   HD22  ASN  17          HD22      ASN  17   2.418   0.891  -1.193
  422    H    TYR  18           H        TYR  18   0.906  -5.071  -1.508
  423    HA   TYR  18           HA       TYR  18  -1.099  -5.594  -3.294
  424    HB2  TYR  18           HB3      TYR  18   1.011  -6.961  -2.409
  425    HB3  TYR  18           HB2      TYR  18  -0.236  -7.804  -1.498
  426    HD1  TYR  18           HD1      TYR  18   1.154  -7.139  -4.778
  427    HD2  TYR  18           HD2      TYR  18  -1.938  -9.126  -2.660
  428    HE1  TYR  18           HE1      TYR  18   0.666  -8.472  -6.769
  429    HE2  TYR  18           HE2      TYR  18  -2.440 -10.477  -4.647
  430    HH   TYR  18           HH       TYR  18  -0.378 -10.678  -7.303
  431    H    HIS  19           H        HIS  19  -1.102  -6.330   0.183
  432    HA   HIS  19           HA       HIS  19  -3.648  -7.499   0.292
  433    HB2  HIS  19           HB3      HIS  19  -2.024  -7.747   2.104
  434    HB3  HIS  19           HB2      HIS  19  -2.120  -6.026   2.452
  435    HD1  HIS  19           HD1      HIS  19  -3.468  -5.606   4.476
  436    HD2  HIS  19           HD2      HIS  19  -4.874  -8.888   2.349
  437    HE1  HIS  19           HE1      HIS  19  -5.454  -6.445   5.766
  438    HE2  HIS  19           HE2      HIS  19  -6.190  -8.525   4.548
  439    H    LEU  20           H        LEU  20  -2.608  -4.144   0.766
  440    HA   LEU  20           HA       LEU  20  -5.142  -3.158   1.535
  441    HB2  LEU  20           HB3      LEU  20  -2.872  -1.658   0.235
  442    HB3  LEU  20           HB2      LEU  20  -4.226  -0.946   1.081
  443    HG   LEU  20           HG       LEU  20  -2.286  -2.803   2.437
  444   HD11  LEU  20          HD11      LEU  20  -1.223  -0.766   3.333
  445   HD12  LEU  20          HD12      LEU  20  -2.191   0.196   2.217
  446   HD13  LEU  20          HD13      LEU  20  -1.005  -0.946   1.593
  447   HD21  LEU  20          HD21      LEU  20  -4.272  -0.775   3.455
  448   HD22  LEU  20          HD22      LEU  20  -3.153  -1.701   4.455
  449   HD23  LEU  20          HD23      LEU  20  -4.421  -2.529   3.553
  450    H    GLU  21           H        GLU  21  -3.502  -3.305  -1.621
  451    HA   GLU  21           HA       GLU  21  -5.427  -1.914  -3.099
  452    HB2  GLU  21           HB3      GLU  21  -3.724  -4.230  -4.053
  453    HB3  GLU  21           HB2      GLU  21  -4.551  -3.075  -5.084
  454    HG2  GLU  21           HG3      GLU  21  -3.138  -1.279  -4.061
  455    HG3  GLU  21           HG2      GLU  21  -2.238  -2.557  -3.242
  456    H    ASN  22           H        ASN  22  -5.245  -5.301  -2.151
  457    HA   ASN  22           HA       ASN  22  -7.438  -6.232  -3.667
  458    HB2  ASN  22           HB3      ASN  22  -6.186  -7.262  -1.121
  459    HB3  ASN  22           HB2      ASN  22  -7.498  -8.092  -1.949
  460   HD21  ASN  22          HD21      ASN  22  -4.812  -9.016  -1.428
  461   HD22  ASN  22          HD22      ASN  22  -4.109  -9.369  -2.965
  462    H    GLU  23           H        GLU  23  -7.200  -5.118  -0.301
  463    HA   GLU  23           HA       GLU  23  -9.885  -5.437   0.402
  464    HB2  GLU  23           HB3      GLU  23  -7.953  -3.312   1.351
  465    HB3  GLU  23           HB2      GLU  23  -9.458  -3.752   2.146
  466    HG2  GLU  23           HG3      GLU  23  -7.054  -5.527   1.780
  467    HG3  GLU  23           HG2      GLU  23  -7.557  -4.739   3.274
  468    H    VAL  24           H        VAL  24  -8.193  -2.650  -0.989
  469    HA   VAL  24           HA       VAL  24 -10.281  -0.833  -1.119
  470    HB   VAL  24           HB       VAL  24  -8.024  -1.218  -3.099
  471   HG11  VAL  24          HG11      VAL  24  -9.844   0.069  -4.098
  472   HG12  VAL  24          HG12      VAL  24  -8.445   1.093  -3.780
  473   HG13  VAL  24          HG13      VAL  24  -9.844   1.158  -2.710
  474   HG21  VAL  24          HG21      VAL  24  -6.980   0.644  -1.875
  475   HG22  VAL  24          HG22      VAL  24  -7.235  -0.771  -0.854
  476   HG23  VAL  24          HG23      VAL  24  -8.316   0.617  -0.725
  477    H    ALA  25           H        ALA  25  -9.261  -3.237  -3.537
  478    HA   ALA  25           HA       ALA  25 -11.136  -2.600  -5.518
  479    HB1  ALA  25           HB1      ALA  25 -10.560  -4.731  -6.521
  480    HB2  ALA  25           HB2      ALA  25  -9.811  -5.256  -5.014
  481    HB3  ALA  25           HB3      ALA  25  -9.115  -3.916  -5.924
  482    H    ARG  26           H        ARG  26 -11.284  -5.131  -3.004
  483    HA   ARG  26           HA       ARG  26 -13.742  -6.239  -3.807
  484    HB2  ARG  26           HB3      ARG  26 -12.548  -6.104  -1.033
  485    HB3  ARG  26           HB2      ARG  26 -13.865  -7.158  -1.522
  486    HG2  ARG  26           HG3      ARG  26 -11.106  -7.239  -2.696
  487    HG3  ARG  26           HG2      ARG  26 -11.654  -8.268  -1.375
  488    HD2  ARG  26           HD2      ARG  26 -11.972  -9.636  -3.212
  489    HD3  ARG  26           HD1      ARG  26 -13.566  -8.914  -3.007
  490    HE   ARG  26           HE       ARG  26 -11.726  -7.629  -4.874
  491   HH11  ARG  26          HH11      ARG  26 -14.528  -9.673  -4.380
  492   HH12  ARG  26          HH12      ARG  26 -15.064  -9.558  -6.026
  493   HH21  ARG  26          HH21      ARG  26 -12.420  -7.491  -7.053
  494   HH22  ARG  26          HH22      ARG  26 -13.865  -8.319  -7.545
  495    H    LEU  27           H        LEU  27 -12.986  -3.845  -1.310
  496    HA   LEU  27           HA       LEU  27 -15.634  -3.336  -0.513
  497    HB2  LEU  27           HB3      LEU  27 -13.237  -1.502  -0.442
  498    HB3  LEU  27           HB2      LEU  27 -14.743  -1.215   0.401
  499    HG   LEU  27           HG       LEU  27 -12.926  -3.562   0.904
  500   HD11  LEU  27          HD11      LEU  27 -12.331  -2.427   2.971
  501   HD12  LEU  27          HD12      LEU  27 -13.324  -1.045   2.507
  502   HD13  LEU  27          HD13      LEU  27 -11.888  -1.456   1.569
  503   HD21  LEU  27          HD21      LEU  27 -15.237  -4.065   1.425
  504   HD22  LEU  27          HD22      LEU  27 -15.375  -2.573   2.354
  505   HD23  LEU  27          HD23      LEU  27 -14.314  -3.865   2.915
  506    H    LYS  28           H        LYS  28 -13.818  -2.166  -3.237
  507    HA   LYS  28           HA       LYS  28 -15.360   0.139  -3.790
  508    HB2  LYS  28           HB3      LYS  28 -13.050  -0.348  -4.667
  509    HB3  LYS  28           HB2      LYS  28 -13.775  -1.526  -5.750
  510    HG2  LYS  28           HG3      LYS  28 -13.421   0.460  -6.991
  511    HG3  LYS  28           HG2      LYS  28 -15.155   0.319  -6.709
  512    HD2  LYS  28           HD3      LYS  28 -14.536   2.601  -6.350
  513    HD3  LYS  28           HD2      LYS  28 -14.889   1.880  -4.766
  514    HE2  LYS  28           HE3      LYS  28 -12.889   3.275  -4.677
  515    HE3  LYS  28           HE2      LYS  28 -12.484   1.588  -4.371
  516    HZ1  LYS  28           HZ1      LYS  28 -12.140   3.002  -6.961
  517    HZ2  LYS  28           HZ2      LYS  28 -11.722   1.394  -6.649
  518    HZ3  LYS  28           HZ3      LYS  28 -10.904   2.646  -5.865
  519    H    LYS  29           H        LYS  29 -15.387  -3.169  -5.132
  520    HA   LYS  29           HA       LYS  29 -17.619  -2.916  -6.766
  521    HB2  LYS  29           HB3      LYS  29 -16.316  -4.894  -6.927
  522    HB3  LYS  29           HB2      LYS  29 -16.500  -5.249  -5.218
  523    HG2  LYS  29           HG3      LYS  29 -18.865  -5.755  -5.575
  524    HG3  LYS  29           HG2      LYS  29 -18.688  -5.393  -7.291
  525    HD2  LYS  29           HD3      LYS  29 -17.086  -7.206  -7.527
  526    HD3  LYS  29           HD2      LYS  29 -17.203  -7.553  -5.802
  527    HE2  LYS  29           HE3      LYS  29 -18.557  -9.094  -7.149
  528    HE3  LYS  29           HE2      LYS  29 -19.542  -8.136  -6.048
  529    HZ1  LYS  29           HZ1      LYS  29 -20.562  -8.261  -8.218
  530    HZ2  LYS  29           HZ2      LYS  29 -19.177  -7.630  -8.952
  531    HZ3  LYS  29           HZ3      LYS  29 -20.091  -6.668  -7.905
  532    H    LEU  30           H        LEU  30 -17.438  -3.630  -3.300
  533    HA   LEU  30           HA       LEU  30 -20.155  -4.245  -2.926
  534    HB2  LEU  30           HB3      LEU  30 -18.166  -3.112  -0.962
  535    HB3  LEU  30           HB2      LEU  30 -19.723  -3.797  -0.536
  536    HG   LEU  30           HG       LEU  30 -17.430  -5.295  -1.807
  537   HD11  LEU  30          HD11      LEU  30 -17.290  -6.445   0.337
  538   HD12  LEU  30          HD12      LEU  30 -18.571  -5.421   0.978
  539   HD13  LEU  30          HD13      LEU  30 -17.022  -4.714   0.526
  540   HD21  LEU  30          HD21      LEU  30 -19.570  -6.177  -2.541
  541   HD22  LEU  30          HD22      LEU  30 -20.132  -6.256  -0.871
  542   HD23  LEU  30          HD23      LEU  30 -18.805  -7.288  -1.406
  543    H    VAL  31           H        VAL  31 -18.421  -1.176  -2.337
  544    HA   VAL  31           HA       VAL  31 -20.705   0.333  -1.698
  545    HB   VAL  31           HB       VAL  31 -18.105   1.293  -2.908
  546   HG11  VAL  31          HG11      VAL  31 -18.650   3.454  -1.931
  547   HG12  VAL  31          HG12      VAL  31 -20.186   2.815  -1.346
  548   HG13  VAL  31          HG13      VAL  31 -19.893   2.958  -3.079
  549   HG21  VAL  31          HG21      VAL  31 -17.461   1.774  -0.588
  550   HG22  VAL  31          HG22      VAL  31 -17.731   0.052  -0.861
  551   HG23  VAL  31          HG23      VAL  31 -18.952   1.016  -0.031
  552    H    GLY  32           H        GLY  32 -19.358  -0.601  -4.799
  553    HA2  GLY  32           HA3      GLY  32 -20.478   1.352  -6.452
  554    HA3  GLY  32           HA2      GLY  32 -20.089  -0.289  -6.945
  555    H    GLU  33           H        GLU  33 -21.844  -1.750  -5.401
  556    HA   GLU  33           HA       GLU  33 -24.492  -0.711  -6.126
  557    HB2  GLU  33           HB3      GLU  33 -23.406  -3.474  -6.737
  558    HB3  GLU  33           HB2      GLU  33 -25.111  -3.068  -6.849
  559    HG2  GLU  33           HG3      GLU  33 -24.615  -1.435  -8.587
  560    HG3  GLU  33           HG2      GLU  33 -22.895  -1.792  -8.442